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 3hoz_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 VGSWKKXXXX 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 XKVTSGVPRL DATA SEQUENCE KEILNVAKNM KTPSLTVYLE PGHAADQEQA KLIRSAIEHT TLKSVTIASE DATA SEQUENCE IYYDPDPRST VIPEDEEIIQ LHFSXXXXXX XXXXDQQSPW LLRLELDRAA DATA SEQUENCE MNDKDLTMGQ VGERIKQTFK NDLFVIWSED NDEKLIIRCR VVRPXXXXXX 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 0.000 176.087 176.094 -0.012 0.000 1.182 2 V CA 0.000 62.292 62.300 -0.013 0.000 1.235 2 V CB 0.000 31.813 31.823 -0.017 0.000 1.184 3 G N 1.729 110.522 108.800 -0.011 0.000 2.173 3 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.142 3 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.142 3 G C 0.043 174.938 174.900 -0.008 0.000 1.019 3 G CA 0.577 45.669 45.100 -0.012 0.000 0.699 3 G HN 1.394 nan 8.290 nan 0.000 0.495 4 Q N -0.887 118.911 119.800 -0.003 0.000 0.654 4 Q HA -0.208 4.131 4.340 -0.000 0.000 0.431 4 Q C 0.272 176.282 176.000 0.016 0.000 1.070 4 Q CA 1.469 57.275 55.803 0.005 0.000 0.297 4 Q CB -0.450 28.289 28.738 0.001 0.000 5.539 4 Q HN 1.045 nan 8.270 nan 0.000 0.379 5 Q N -1.720 118.099 119.800 0.032 0.000 3.232 5 Q HA -0.222 4.118 4.340 -0.000 0.000 0.025 5 Q C -1.213 174.838 176.000 0.085 0.000 1.708 5 Q CA 0.731 56.566 55.803 0.054 0.000 0.241 5 Q CB -0.451 28.304 28.738 0.027 0.000 0.584 5 Q HN 0.474 nan 8.270 nan 0.000 0.322 6 Y N 1.755 122.051 120.300 -0.007 0.000 2.336 6 Y HA 0.436 4.986 4.550 -0.000 0.000 0.331 6 Y C -0.280 175.618 175.900 -0.002 0.000 1.211 6 Y CA 0.365 58.462 58.100 -0.005 0.000 1.346 6 Y CB 1.576 40.033 38.460 -0.004 0.000 1.271 6 Y HN 0.414 nan 8.280 nan 0.000 0.538 7 S N 2.996 118.110 115.700 -0.977 0.000 2.647 7 S HA 0.257 4.727 4.470 -0.000 0.000 0.300 7 S C 0.162 174.078 174.600 -1.140 0.000 1.129 7 S CA -0.255 57.455 58.200 -0.817 0.000 1.029 7 S CB 0.486 63.477 63.200 -0.348 0.000 1.007 7 S HN 0.850 nan 8.310 nan 0.000 0.484 8 S N 3.343 118.547 115.700 -0.827 0.000 2.723 8 S HA 0.168 4.638 4.470 -0.000 0.000 0.231 8 S C 0.738 175.242 174.600 -0.160 0.000 0.967 8 S CA 0.106 58.107 58.200 -0.332 0.000 0.958 8 S CB -0.431 62.739 63.200 -0.049 0.000 0.778 8 S HN 0.928 nan 8.310 nan 0.000 0.537 9 A N 3.963 126.662 122.820 -0.203 0.000 2.395 9 A HA 0.487 4.807 4.320 -0.000 0.000 0.286 9 A C -1.531 176.016 177.584 -0.062 0.000 1.193 9 A CA -1.652 50.324 52.037 -0.103 0.000 0.852 9 A CB -0.274 18.666 19.000 -0.100 0.000 1.118 9 A HN 0.448 nan 8.150 nan 0.000 0.524 10 P HA 0.061 nan 4.420 nan 0.000 0.261 10 P C -0.475 176.817 177.300 -0.013 0.000 1.173 10 P CA 0.323 63.419 63.100 -0.006 0.000 0.760 10 P CB 0.459 32.160 31.700 0.001 0.000 0.783 11 L N 2.959 124.179 121.223 -0.006 0.000 2.307 11 L HA 0.698 5.038 4.340 -0.000 0.000 0.284 11 L C -0.134 176.733 176.870 -0.005 0.000 1.023 11 L CA -0.817 54.017 54.840 -0.010 0.000 0.810 11 L CB 1.737 43.791 42.059 -0.009 0.000 1.231 11 L HN 0.361 nan 8.230 nan 0.000 0.423 12 R N 1.154 121.648 120.500 -0.010 0.000 2.885 12 R HA 0.607 4.947 4.340 -0.000 0.000 0.260 12 R C -0.807 175.485 176.300 -0.014 0.000 1.107 12 R CA -0.207 55.888 56.100 -0.009 0.000 0.978 12 R CB 2.129 32.424 30.300 -0.008 0.000 1.227 12 R HN 0.885 nan 8.270 nan 0.000 0.473 13 T N -1.582 112.964 114.554 -0.014 0.000 2.927 13 T HA 0.439 4.789 4.350 -0.000 0.000 0.281 13 T C -0.183 174.504 174.700 -0.022 0.000 0.998 13 T CA -0.709 61.380 62.100 -0.018 0.000 1.019 13 T CB 1.369 70.226 68.868 -0.017 0.000 1.061 13 T HN 0.135 nan 8.240 nan 0.000 0.518 14 V N 3.630 123.527 119.914 -0.027 0.000 2.408 14 V HA 0.244 4.364 4.120 -0.000 0.000 0.267 14 V C 1.078 177.153 176.094 -0.031 0.000 1.047 14 V CA -0.468 61.811 62.300 -0.034 0.000 0.937 14 V CB 0.697 32.495 31.823 -0.042 0.000 0.999 14 V HN 0.860 nan 8.190 nan 0.000 0.472 15 K N 2.896 123.277 120.400 -0.031 0.000 2.244 15 K HA 0.263 4.583 4.320 -0.000 0.000 0.200 15 K C 0.381 176.963 176.600 -0.029 0.000 1.052 15 K CA 0.645 56.917 56.287 -0.025 0.000 0.980 15 K CB 0.628 33.117 32.500 -0.019 0.000 0.838 15 K HN 0.708 nan 8.250 nan 0.000 0.481 16 E N 0.488 120.661 120.200 -0.045 0.000 2.314 16 E HA 0.336 4.686 4.350 -0.000 0.000 0.272 16 E C -1.315 175.229 176.600 -0.094 0.000 0.884 16 E CA -0.632 55.734 56.400 -0.055 0.000 0.753 16 E CB 3.029 32.692 29.700 -0.061 0.000 1.213 16 E HN -0.284 nan 8.360 nan 0.000 0.432 17 V N 2.753 122.609 119.914 -0.097 0.000 2.357 17 V HA 0.186 4.306 4.120 -0.000 0.000 0.284 17 V C -0.302 175.639 176.094 -0.256 0.000 1.018 17 V CA -0.738 61.433 62.300 -0.215 0.000 0.841 17 V CB 1.346 33.056 31.823 -0.188 0.000 0.991 17 V HN 0.591 nan 8.190 nan 0.000 0.437 18 Q N 4.113 123.694 119.800 -0.365 0.000 2.430 18 Q HA 0.434 4.774 4.340 -0.000 0.000 0.245 18 Q C -0.926 174.801 176.000 -0.455 0.000 1.021 18 Q CA -0.290 55.285 55.803 -0.378 0.000 0.867 18 Q CB 1.025 29.485 28.738 -0.463 0.000 1.210 18 Q HN 0.603 nan 8.270 nan 0.000 0.487 19 F N 0.535 120.341 119.950 -0.240 0.000 2.418 19 F HA 0.566 5.092 4.527 -0.000 0.000 0.341 19 F C 1.335 177.022 175.800 -0.188 0.000 1.120 19 F CA 0.520 58.410 58.000 -0.183 0.000 1.232 19 F CB 1.244 40.167 39.000 -0.127 0.000 1.175 19 F HN 0.522 nan 8.300 nan 0.000 0.569 20 G N 1.553 110.369 108.800 0.027 0.000 2.650 20 G HA2 0.653 4.612 3.960 -0.000 0.000 0.310 20 G HA3 0.653 4.612 3.960 -0.000 0.000 0.310 20 G C -2.046 172.819 174.900 -0.059 0.000 1.270 20 G CA -0.933 44.177 45.100 0.017 0.000 0.810 20 G HN 0.497 nan 8.290 nan 0.000 0.493 21 L N -0.033 121.104 121.223 -0.144 0.000 2.401 21 L HA 0.514 4.854 4.340 -0.000 0.000 0.266 21 L C -0.909 175.654 176.870 -0.512 0.000 0.991 21 L CA -0.684 54.049 54.840 -0.179 0.000 0.818 21 L CB 2.558 44.630 42.059 0.023 0.000 1.321 21 L HN 0.451 nan 8.230 nan 0.000 0.413 22 F N 1.293 121.059 119.950 -0.307 0.000 2.495 22 F HA 0.101 4.627 4.527 -0.000 0.000 0.365 22 F C 1.101 176.465 175.800 -0.726 0.000 1.090 22 F CA 0.068 57.810 58.000 -0.431 0.000 1.235 22 F CB 1.239 40.117 39.000 -0.204 0.000 1.119 22 F HN 0.498 nan 8.300 nan 0.000 0.562 23 S N 5.196 120.492 115.700 -0.673 0.000 2.554 23 S HA 0.302 4.772 4.470 -0.000 0.000 0.278 23 S C -1.717 172.885 174.600 0.003 0.000 1.242 23 S CA -1.393 56.433 58.200 -0.624 0.000 1.051 23 S CB 1.576 64.632 63.200 -0.241 0.000 0.986 23 S HN 0.429 nan 8.310 nan 0.000 0.502 24 P HA -0.172 nan 4.420 nan 0.000 0.216 24 P C 0.892 178.250 177.300 0.096 0.000 1.150 24 P CA 1.378 64.561 63.100 0.138 0.000 0.843 24 P CB 0.082 31.889 31.700 0.178 0.000 0.787 25 E N 0.467 120.745 120.200 0.131 0.000 2.048 25 E HA -0.226 4.124 4.350 -0.000 0.000 0.202 25 E C 2.211 178.834 176.600 0.038 0.000 1.021 25 E CA 1.681 58.134 56.400 0.088 0.000 0.825 25 E CB -1.019 28.753 29.700 0.120 0.000 0.756 25 E HN 0.463 nan 8.360 nan 0.000 0.454 26 E N 0.290 120.519 120.200 0.048 0.000 2.038 26 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 26 E C 2.020 178.605 176.600 -0.024 0.000 1.000 26 E CA 1.709 58.137 56.400 0.047 0.000 0.803 26 E CB -0.026 29.755 29.700 0.134 0.000 0.750 26 E HN 0.081 nan 8.360 nan 0.000 0.448 27 V N 1.318 121.183 119.914 -0.082 0.000 2.233 27 V HA -0.380 3.740 4.120 -0.000 0.000 0.252 27 V C 2.572 178.558 176.094 -0.181 0.000 1.063 27 V CA 2.509 64.663 62.300 -0.243 0.000 1.032 27 V CB -0.774 30.937 31.823 -0.187 0.000 0.645 27 V HN 0.330 nan 8.190 nan 0.000 0.446 28 R N -0.260 120.152 120.500 -0.147 0.000 2.115 28 R HA -0.256 4.084 4.340 -0.000 0.000 0.239 28 R C 2.473 178.632 176.300 -0.236 0.000 1.133 28 R CA 1.826 57.751 56.100 -0.292 0.000 0.935 28 R CB -0.926 29.282 30.300 -0.153 0.000 0.853 28 R HN 0.573 nan 8.270 nan 0.000 0.433 29 A N 1.544 124.294 122.820 -0.117 0.000 1.870 29 A HA -0.256 4.064 4.320 -0.000 0.000 0.219 29 A C 2.216 179.758 177.584 -0.070 0.000 1.224 29 A CA 2.063 54.057 52.037 -0.073 0.000 0.650 29 A CB -0.925 18.059 19.000 -0.028 0.000 0.836 29 A HN 0.299 nan 8.150 nan 0.000 0.454 30 I N -0.201 120.332 120.570 -0.062 0.000 2.194 30 I HA -0.174 3.996 4.170 -0.000 0.000 0.246 30 I C 1.541 177.649 176.117 -0.015 0.000 1.093 30 I CA 0.937 62.217 61.300 -0.033 0.000 1.355 30 I CB -0.541 37.419 38.000 -0.065 0.000 1.046 30 I HN 0.323 nan 8.210 nan 0.000 0.413 31 S N 0.817 116.482 115.700 -0.059 0.000 2.673 31 S HA -0.012 4.458 4.470 -0.000 0.000 0.308 31 S C 0.871 175.463 174.600 -0.014 0.000 1.246 31 S CA 0.030 58.217 58.200 -0.022 0.000 1.077 31 S CB 0.680 63.791 63.200 -0.147 0.000 0.814 31 S HN 0.274 nan 8.310 nan 0.000 0.503 32 V N 2.941 122.880 119.914 0.041 0.000 3.542 32 V HA 0.744 4.864 4.120 -0.000 0.000 0.296 32 V C 0.292 176.400 176.094 0.025 0.000 1.364 32 V CA 0.499 62.803 62.300 0.007 0.000 1.118 32 V CB -0.624 31.184 31.823 -0.025 0.000 0.972 32 V HN 0.942 nan 8.190 nan 0.000 0.430 33 A N -0.058 122.806 122.820 0.072 0.000 2.520 33 A HA 0.814 5.134 4.320 -0.000 0.000 0.298 33 A C 0.233 177.934 177.584 0.195 0.000 1.051 33 A CA -0.590 51.501 52.037 0.090 0.000 0.690 33 A CB 1.881 20.917 19.000 0.060 0.000 1.281 33 A HN 0.069 nan 8.150 nan 0.000 0.402 34 K N 0.927 121.413 120.400 0.143 0.000 1.975 34 K HA 0.337 4.657 4.320 -0.000 0.000 0.210 34 K C 0.264 176.868 176.600 0.006 0.000 1.041 34 K CA 1.391 57.767 56.287 0.147 0.000 0.942 34 K CB -0.334 32.222 32.500 0.094 0.000 0.729 34 K HN 0.884 nan 8.250 nan 0.000 0.439 35 I N 0.818 121.398 120.570 0.015 0.000 6.786 35 I HA -0.299 3.871 4.170 -0.000 0.000 0.126 35 I C 0.182 176.319 176.117 0.034 0.000 1.830 35 I CA 0.051 61.358 61.300 0.013 0.000 2.037 35 I CB -0.496 37.496 38.000 -0.013 0.000 3.544 35 I HN 0.270 nan 8.210 nan 0.000 0.169 36 R N 2.418 123.029 120.500 0.185 0.000 2.342 36 R HA 0.297 4.637 4.340 -0.000 0.000 0.204 36 R C -0.023 176.412 176.300 0.226 0.000 0.882 36 R CA 0.376 56.602 56.100 0.210 0.000 1.041 36 R CB 0.423 30.891 30.300 0.281 0.000 1.188 36 R HN 0.216 nan 8.270 nan 0.000 0.598 37 F N 2.162 122.084 119.950 -0.047 0.000 2.404 37 F HA 0.314 4.840 4.527 -0.000 0.000 0.339 37 F C -1.431 174.344 175.800 -0.041 0.000 1.105 37 F CA -3.126 54.850 58.000 -0.041 0.000 1.087 37 F CB 0.991 39.972 39.000 -0.032 0.000 1.143 37 F HN -0.167 nan 8.300 nan 0.000 0.491 38 P HA 0.051 nan 4.420 nan 0.000 0.255 38 P C -0.253 177.074 177.300 0.044 0.000 1.248 38 P CA 0.376 63.501 63.100 0.042 0.000 0.807 38 P CB 0.415 32.107 31.700 -0.013 0.000 1.150 39 E N -0.336 119.916 120.200 0.086 0.000 2.391 39 E HA 0.141 4.491 4.350 -0.000 0.000 0.255 39 E C 1.438 178.072 176.600 0.057 0.000 1.187 39 E CA 0.325 56.762 56.400 0.061 0.000 0.941 39 E CB 0.011 29.760 29.700 0.082 0.000 1.010 39 E HN -0.121 nan 8.360 nan 0.000 0.458 40 T N -0.107 114.477 114.554 0.050 0.000 2.781 40 T HA 0.020 4.370 4.350 -0.000 0.000 0.252 40 T C 0.638 175.354 174.700 0.026 0.000 1.039 40 T CA 1.802 63.932 62.100 0.049 0.000 1.147 40 T CB -0.006 68.902 68.868 0.066 0.000 0.865 40 T HN 0.558 nan 8.240 nan 0.000 0.423 41 M N -1.314 118.301 119.600 0.024 0.000 1.448 41 M HA 0.388 4.868 4.480 -0.000 0.000 0.569 41 M C -1.515 174.791 176.300 0.010 0.000 2.224 41 M CA -0.554 54.749 55.300 0.005 0.000 0.523 41 M CB -0.321 32.276 32.600 -0.005 0.000 4.345 41 M HN -0.255 nan 8.290 nan 0.000 0.599 42 D N 3.317 123.721 120.400 0.007 0.000 3.142 42 D HA -0.103 4.536 4.640 -0.000 0.000 0.221 42 D C -0.763 175.540 176.300 0.006 0.000 1.193 42 D CA 1.256 55.261 54.000 0.009 0.000 0.900 42 D CB -0.316 40.495 40.800 0.018 0.000 0.886 42 D HN 0.699 nan 8.370 nan 0.000 0.399 43 E N 0.141 120.337 120.200 -0.006 0.000 2.244 43 E HA 0.027 4.377 4.350 -0.000 0.000 0.243 43 E C -0.096 176.506 176.600 0.005 0.000 1.250 43 E CA 0.232 56.626 56.400 -0.010 0.000 0.988 43 E CB -0.715 28.971 29.700 -0.023 0.000 1.095 43 E HN 0.285 nan 8.360 nan 0.000 0.454 44 T N 2.807 117.372 114.554 0.017 0.000 3.318 44 T HA -0.247 4.103 4.350 -0.000 0.000 0.428 44 T C 0.480 175.189 174.700 0.014 0.000 0.768 44 T CA 0.984 63.097 62.100 0.021 0.000 2.218 44 T CB -1.386 67.494 68.868 0.021 0.000 1.689 44 T HN 0.857 nan 8.240 nan 0.000 0.671 45 Q N -2.877 116.932 119.800 0.016 0.000 2.261 45 Q HA -0.200 4.140 4.340 -0.000 0.000 0.155 45 Q C 0.119 176.125 176.000 0.011 0.000 0.598 45 Q CA 1.960 57.772 55.803 0.014 0.000 1.376 45 Q CB -1.896 26.850 28.738 0.013 0.000 1.356 45 Q HN 0.807 nan 8.270 nan 0.000 0.947 46 T N 2.196 116.754 114.554 0.007 0.000 2.727 46 T HA 0.303 4.653 4.350 -0.000 0.000 0.295 46 T C 0.150 174.852 174.700 0.002 0.000 0.915 46 T CA -0.507 61.596 62.100 0.004 0.000 1.066 46 T CB 0.594 69.462 68.868 0.000 0.000 0.891 46 T HN 0.123 nan 8.240 nan 0.000 0.516 47 R N 2.414 122.916 120.500 0.004 0.000 2.526 47 R HA 0.242 4.582 4.340 -0.000 0.000 0.319 47 R C 0.536 176.833 176.300 -0.004 0.000 0.888 47 R CA 0.384 56.486 56.100 0.003 0.000 1.127 47 R CB -0.327 29.975 30.300 0.004 0.000 0.888 47 R HN 0.914 nan 8.270 nan 0.000 0.410 48 A N 3.245 126.061 122.820 -0.007 0.000 5.608 48 A HA 0.344 4.664 4.320 -0.000 0.000 0.181 48 A C -1.455 176.119 177.584 -0.018 0.000 0.917 48 A CA -0.770 51.258 52.037 -0.015 0.000 0.823 48 A CB 0.837 19.826 19.000 -0.019 0.000 2.109 48 A HN 0.488 nan 8.150 nan 0.000 1.042 49 K N 0.010 120.393 120.400 -0.029 0.000 2.498 49 K HA 0.686 5.006 4.320 -0.000 0.000 0.254 49 K C -1.449 175.113 176.600 -0.063 0.000 0.933 49 K CA -0.443 55.822 56.287 -0.037 0.000 0.806 49 K CB 2.424 34.903 32.500 -0.036 0.000 1.301 49 K HN 0.529 nan 8.250 nan 0.000 0.432 50 I N 1.128 121.649 120.570 -0.080 0.000 2.440 50 I HA 0.102 4.272 4.170 -0.000 0.000 0.294 50 I C 1.473 177.461 176.117 -0.215 0.000 0.995 50 I CA -0.104 61.103 61.300 -0.155 0.000 1.306 50 I CB 1.431 39.329 38.000 -0.169 0.000 1.407 50 I HN 0.949 nan 8.210 nan 0.000 0.501 51 G N 4.021 112.650 108.800 -0.284 0.000 2.894 51 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.203 51 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.203 51 G C 1.027 175.708 174.900 -0.366 0.000 1.173 51 G CA 0.641 45.578 45.100 -0.271 0.000 0.854 51 G HN 0.922 nan 8.290 nan 0.000 0.510 52 G N -0.385 108.169 108.800 -0.412 0.000 2.688 52 G HA2 0.380 4.340 3.960 -0.000 0.000 0.214 52 G HA3 0.380 4.340 3.960 -0.000 0.000 0.214 52 G C 0.438 175.323 174.900 -0.025 0.000 1.211 52 G CA -0.091 44.852 45.100 -0.261 0.000 0.853 52 G HN 0.390 nan 8.290 nan 0.000 0.591 53 L N 0.423 121.643 121.223 -0.005 0.000 2.286 53 L HA 0.372 4.712 4.340 -0.000 0.000 0.265 53 L C -0.349 176.514 176.870 -0.012 0.000 1.012 53 L CA -0.957 53.888 54.840 0.008 0.000 0.818 53 L CB 1.542 43.620 42.059 0.032 0.000 1.337 53 L HN 0.743 nan 8.230 nan 0.000 0.438 54 N N 1.170 119.864 118.700 -0.011 0.000 2.606 54 N HA -0.292 4.448 4.740 -0.000 0.000 0.326 54 N C -0.339 175.156 175.510 -0.024 0.000 1.177 54 N CA 0.987 54.026 53.050 -0.019 0.000 0.715 54 N CB -0.590 37.888 38.487 -0.016 0.000 1.022 54 N HN 0.809 nan 8.380 nan 0.000 0.557 55 D N 0.224 120.610 120.400 -0.023 0.000 2.809 55 D HA -0.079 4.561 4.640 -0.000 0.000 0.234 55 D C -2.193 174.087 176.300 -0.034 0.000 1.111 55 D CA 0.474 54.462 54.000 -0.021 0.000 0.726 55 D CB -0.486 40.302 40.800 -0.020 0.000 1.089 55 D HN 0.611 nan 8.370 nan 0.000 0.436 56 P HA 0.263 nan 4.420 nan 0.000 0.253 56 P C 0.068 177.346 177.300 -0.038 0.000 1.508 56 P CA 0.279 63.343 63.100 -0.060 0.000 0.883 56 P CB 0.262 31.922 31.700 -0.067 0.000 1.519 57 R N -4.542 115.944 120.500 -0.024 0.000 1.635 57 R HA -0.024 4.316 4.340 -0.000 0.000 0.380 57 R C 0.662 176.967 176.300 0.008 0.000 0.220 57 R CA -0.080 56.009 56.100 -0.019 0.000 1.415 57 R CB -1.489 28.794 30.300 -0.029 0.000 1.854 57 R HN 0.122 nan 8.270 nan 0.000 0.218 58 L N 0.604 121.844 121.223 0.028 0.000 2.356 58 L HA 0.180 4.520 4.340 -0.000 0.000 0.165 58 L C 1.832 178.767 176.870 0.107 0.000 0.926 58 L CA 0.707 55.592 54.840 0.075 0.000 1.088 58 L CB -0.471 41.596 42.059 0.014 0.000 1.518 58 L HN 0.181 nan 8.230 nan 0.000 0.470 59 G N -0.942 107.898 108.800 0.066 0.000 2.661 59 G HA2 0.218 4.178 3.960 -0.000 0.000 0.272 59 G HA3 0.218 4.178 3.960 -0.000 0.000 0.272 59 G C -0.254 174.658 174.900 0.019 0.000 1.296 59 G CA -0.072 45.052 45.100 0.040 0.000 0.998 59 G HN 0.486 nan 8.290 nan 0.000 0.553 60 S N -2.202 113.499 115.700 0.002 0.000 2.715 60 S HA 0.750 5.220 4.470 -0.000 0.000 0.307 60 S C 0.428 175.014 174.600 -0.023 0.000 1.119 60 S CA -0.864 57.331 58.200 -0.007 0.000 0.937 60 S CB 1.173 64.373 63.200 -0.001 0.000 1.150 60 S HN 0.423 nan 8.310 nan 0.000 0.521 61 I N -0.238 120.317 120.570 -0.025 0.000 3.621 61 I HA 0.332 4.502 4.170 -0.000 0.000 0.208 61 I C -0.303 175.795 176.117 -0.032 0.000 0.501 61 I CA -0.782 60.498 61.300 -0.034 0.000 3.078 61 I CB -0.241 37.737 38.000 -0.036 0.000 1.484 61 I HN 0.545 nan 8.210 nan 0.000 0.533 62 D N 3.546 123.926 120.400 -0.032 0.000 8.011 62 D HA -0.189 4.451 4.640 -0.000 0.000 0.190 62 D C -0.041 176.244 176.300 -0.025 0.000 1.409 62 D CA 0.495 54.477 54.000 -0.029 0.000 0.930 62 D CB -0.212 40.574 40.800 -0.023 0.000 1.692 62 D HN 0.263 nan 8.370 nan 0.000 0.965 63 R N 1.801 122.284 120.500 -0.028 0.000 1.496 63 R HA -0.221 4.119 4.340 -0.000 0.000 0.183 63 R C -0.175 176.114 176.300 -0.018 0.000 0.531 63 R CA 0.295 56.381 56.100 -0.023 0.000 0.340 63 R CB -1.005 29.281 30.300 -0.023 0.000 1.600 63 R HN 0.271 nan 8.270 nan 0.000 0.573 64 N N 1.469 120.159 118.700 -0.016 0.000 2.573 64 N HA 0.154 4.893 4.740 -0.000 0.000 0.262 64 N C 1.119 176.624 175.510 -0.008 0.000 1.029 64 N CA -0.383 52.659 53.050 -0.013 0.000 0.882 64 N CB 1.064 39.543 38.487 -0.013 0.000 1.204 64 N HN 0.194 nan 8.380 nan 0.000 0.519 65 L N 0.438 121.657 121.223 -0.007 0.000 2.085 65 L HA -0.236 4.104 4.340 -0.000 0.000 0.218 65 L C 1.446 178.316 176.870 -0.000 0.000 1.080 65 L CA 1.429 56.268 54.840 -0.003 0.000 0.776 65 L CB -0.297 41.760 42.059 -0.003 0.000 0.891 65 L HN 0.435 nan 8.230 nan 0.000 0.437 66 K N 0.100 120.498 120.400 -0.004 0.000 2.619 66 K HA -0.199 4.121 4.320 -0.000 0.000 0.278 66 K C -0.124 176.478 176.600 0.003 0.000 0.969 66 K CA 1.018 57.302 56.287 -0.005 0.000 1.042 66 K CB 0.257 32.751 32.500 -0.010 0.000 0.845 66 K HN 0.400 nan 8.250 nan 0.000 0.497 67 C N 4.227 123.528 119.300 0.002 0.000 2.122 67 C HA 0.020 4.480 4.460 -0.000 0.000 0.340 67 C C -1.317 173.665 174.990 -0.014 0.000 0.743 67 C CA 0.119 59.147 59.018 0.017 0.000 0.511 67 C CB -1.745 26.026 27.740 0.051 0.000 1.266 67 C HN 1.035 nan 8.230 nan 0.000 0.788 68 Q N 1.019 120.800 119.800 -0.031 0.000 2.434 68 Q HA -0.184 4.156 4.340 -0.000 0.000 0.366 68 Q C 0.769 176.736 176.000 -0.056 0.000 1.398 68 Q CA 1.715 57.486 55.803 -0.054 0.000 1.074 68 Q CB -2.354 26.331 28.738 -0.088 0.000 1.236 68 Q HN 1.319 nan 8.270 nan 0.000 0.329 69 T N -1.933 112.601 114.554 -0.034 0.000 12.320 69 T HA -0.500 3.850 4.350 -0.000 0.000 0.419 69 T C 1.685 176.374 174.700 -0.018 0.000 1.443 69 T CA 3.215 65.300 62.100 -0.025 0.000 2.389 69 T CB -1.991 66.860 68.868 -0.028 0.000 2.854 69 T HN 1.450 nan 8.240 nan 0.000 0.830 70 C N 3.974 123.258 119.300 -0.026 0.000 2.419 70 C HA -0.305 4.155 4.460 -0.000 0.000 0.281 70 C C 2.040 177.041 174.990 0.018 0.000 1.145 70 C CA 2.640 61.656 59.018 -0.003 0.000 1.888 70 C CB -1.885 25.855 27.740 0.001 0.000 2.222 70 C HN 0.805 nan 8.230 nan 0.000 0.490 71 Q N -1.342 118.465 119.800 0.012 0.000 2.529 71 Q HA -0.424 3.916 4.340 -0.000 0.000 0.456 71 Q C 1.209 177.220 176.000 0.019 0.000 0.545 71 Q CA 2.502 58.312 55.803 0.012 0.000 0.985 71 Q CB -1.006 27.734 28.738 0.004 0.000 2.233 71 Q HN 0.775 nan 8.270 nan 0.000 1.039 72 E N -1.920 118.287 120.200 0.012 0.000 5.006 72 E HA -0.276 4.074 4.350 -0.000 0.000 0.214 72 E C 0.541 177.144 176.600 0.005 0.000 0.970 72 E CA 2.385 58.791 56.400 0.010 0.000 1.705 72 E CB -1.730 27.979 29.700 0.015 0.000 1.789 72 E HN 1.170 nan 8.360 nan 0.000 0.384 73 G N -0.175 108.629 108.800 0.006 0.000 2.721 73 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.686 73 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.686 73 G C 0.844 175.741 174.900 -0.005 0.000 1.236 73 G CA 0.324 45.424 45.100 -0.001 0.000 0.786 73 G HN 0.084 nan 8.290 nan 0.000 0.616 74 M N 0.357 119.950 119.600 -0.012 0.000 2.294 74 M HA -0.239 4.241 4.480 -0.000 0.000 0.249 74 M C 1.552 177.838 176.300 -0.024 0.000 1.068 74 M CA 2.401 57.688 55.300 -0.021 0.000 1.063 74 M CB -0.287 32.297 32.600 -0.027 0.000 1.315 74 M HN 0.673 nan 8.290 nan 0.000 0.417 75 N N 0.072 118.760 118.700 -0.020 0.000 2.420 75 N HA 0.096 4.836 4.740 -0.000 0.000 0.249 75 N C 0.057 175.558 175.510 -0.016 0.000 1.033 75 N CA 0.616 53.653 53.050 -0.021 0.000 0.944 75 N CB 1.519 39.995 38.487 -0.019 0.000 1.113 75 N HN 0.317 nan 8.380 nan 0.000 0.502 76 E N 1.958 122.147 120.200 -0.019 0.000 3.008 76 E HA -0.159 4.191 4.350 -0.000 0.000 0.148 76 E C -0.912 175.678 176.600 -0.017 0.000 0.614 76 E CA 0.071 56.462 56.400 -0.015 0.000 2.773 76 E CB -1.288 28.408 29.700 -0.006 0.000 2.423 76 E HN 0.464 nan 8.360 nan 0.000 0.753 77 C N 5.566 124.858 119.300 -0.015 0.000 2.345 77 C HA 0.562 5.022 4.460 -0.000 0.000 0.349 77 C C -1.467 173.463 174.990 -0.099 0.000 1.130 77 C CA -1.301 57.704 59.018 -0.021 0.000 1.574 77 C CB -0.794 26.961 27.740 0.025 0.000 2.108 77 C HN 0.342 nan 8.230 nan 0.000 0.516 78 P HA 0.243 nan 4.420 nan 0.000 0.280 78 P C 0.559 177.663 177.300 -0.326 0.000 1.278 78 P CA 0.256 63.258 63.100 -0.164 0.000 0.787 78 P CB 0.434 32.064 31.700 -0.117 0.000 1.163 79 G N -1.040 107.596 108.800 -0.272 0.000 2.611 79 G HA2 0.235 4.195 3.960 -0.000 0.000 0.273 79 G HA3 0.235 4.195 3.960 -0.000 0.000 0.273 79 G C -0.602 173.977 174.900 -0.535 0.000 1.305 79 G CA -0.187 44.711 45.100 -0.337 0.000 1.010 79 G HN 0.614 nan 8.290 nan 0.000 0.509 80 H N -0.669 118.383 119.070 -0.029 0.000 2.924 80 H HA 0.256 4.812 4.556 -0.000 0.000 0.333 80 H C -0.772 174.575 175.328 0.033 0.000 0.979 80 H CA -0.756 55.322 56.048 0.051 0.000 1.326 80 H CB 1.085 30.863 29.762 0.027 0.000 1.600 80 H HN 0.242 nan 8.280 nan 0.000 0.520 81 F N 1.195 121.195 119.950 0.083 0.000 2.545 81 F HA 0.349 4.876 4.527 -0.000 0.000 0.348 81 F C 1.517 177.340 175.800 0.038 0.000 1.163 81 F CA 0.983 59.002 58.000 0.031 0.000 1.331 81 F CB 0.790 39.772 39.000 -0.029 0.000 1.138 81 F HN 0.554 nan 8.300 nan 0.000 0.602 82 G N 0.217 109.128 108.800 0.186 0.000 3.042 82 G HA2 0.634 4.594 3.960 -0.000 0.000 0.278 82 G HA3 0.634 4.594 3.960 -0.000 0.000 0.278 82 G C -1.675 173.371 174.900 0.243 0.000 1.371 82 G CA -0.692 44.511 45.100 0.173 0.000 1.009 82 G HN 0.846 nan 8.290 nan 0.000 0.523 83 H N -2.726 116.364 119.070 0.033 0.000 2.960 83 H HA 0.808 5.364 4.556 -0.000 0.000 0.303 83 H C -1.359 173.975 175.328 0.011 0.000 1.412 83 H CA -1.268 54.792 56.048 0.020 0.000 1.227 83 H CB 2.337 32.102 29.762 0.006 0.000 1.912 83 H HN 0.411 nan 8.280 nan 0.000 0.583 84 I N 1.827 122.272 120.570 -0.208 0.000 2.608 84 I HA 0.047 4.216 4.170 -0.000 0.000 0.280 84 I C -1.324 174.700 176.117 -0.154 0.000 1.186 84 I CA -0.655 60.494 61.300 -0.252 0.000 1.081 84 I CB 1.729 39.655 38.000 -0.124 0.000 1.272 84 I HN 0.659 nan 8.210 nan 0.000 0.460 85 D N 8.126 128.410 120.400 -0.193 0.000 2.346 85 D HA 0.186 4.826 4.640 -0.000 0.000 0.267 85 D C 0.591 176.868 176.300 -0.038 0.000 1.320 85 D CA 0.220 54.192 54.000 -0.046 0.000 0.951 85 D CB 0.883 41.671 40.800 -0.021 0.000 1.079 85 D HN 0.347 nan 8.370 nan 0.000 0.509 86 L N 0.955 122.170 121.223 -0.013 0.000 2.453 86 L HA -0.024 4.316 4.340 -0.000 0.000 0.274 86 L C 1.771 178.634 176.870 -0.012 0.000 1.270 86 L CA -0.148 54.682 54.840 -0.016 0.000 0.822 86 L CB 0.185 42.244 42.059 -0.000 0.000 1.091 86 L HN 0.355 nan 8.230 nan 0.000 0.546 87 A N 0.088 122.899 122.820 -0.016 0.000 2.115 87 A HA 0.195 4.515 4.320 -0.000 0.000 0.211 87 A C 0.602 178.185 177.584 -0.003 0.000 1.169 87 A CA 0.610 52.640 52.037 -0.012 0.000 0.787 87 A CB 0.247 19.235 19.000 -0.020 0.000 0.858 87 A HN 0.677 nan 8.150 nan 0.000 0.474 88 K N 0.031 120.427 120.400 -0.006 0.000 2.546 88 K HA 0.355 4.675 4.320 -0.000 0.000 0.264 88 K C -3.193 173.398 176.600 -0.014 0.000 0.937 88 K CA -2.005 54.278 56.287 -0.007 0.000 0.833 88 K CB 2.535 35.027 32.500 -0.014 0.000 1.378 88 K HN -0.052 nan 8.250 nan 0.000 0.432 89 P HA 0.068 nan 4.420 nan 0.000 0.266 89 P C -0.651 176.596 177.300 -0.088 0.000 1.195 89 P CA -0.196 62.895 63.100 -0.016 0.000 0.768 89 P CB 0.734 32.438 31.700 0.006 0.000 0.838 90 V N 2.636 122.509 119.914 -0.069 0.000 3.007 90 V HA 0.360 4.480 4.120 -0.000 0.000 0.311 90 V C 0.125 176.202 176.094 -0.028 0.000 1.120 90 V CA -0.724 61.496 62.300 -0.133 0.000 0.980 90 V CB 1.509 33.309 31.823 -0.040 0.000 1.033 90 V HN 0.299 nan 8.190 nan 0.000 0.429 91 F N 1.435 121.436 119.950 0.085 0.000 2.450 91 F HA 0.301 4.828 4.527 -0.000 0.000 0.339 91 F C 0.822 176.664 175.800 0.070 0.000 1.146 91 F CA -0.319 57.737 58.000 0.094 0.000 1.267 91 F CB 0.099 39.153 39.000 0.090 0.000 1.178 91 F HN 0.541 nan 8.300 nan 0.000 0.585 92 H N 3.115 122.285 119.070 0.168 0.000 2.820 92 H HA 0.208 4.764 4.556 -0.000 0.000 0.278 92 H C 0.983 176.193 175.328 -0.197 0.000 1.142 92 H CA -0.338 55.655 56.048 -0.092 0.000 1.346 92 H CB 0.685 30.290 29.762 -0.261 0.000 1.438 92 H HN 0.504 nan 8.280 nan 0.000 0.473 93 V N 4.182 124.010 119.914 -0.144 0.000 2.352 93 V HA -0.368 3.752 4.120 -0.000 0.000 0.263 93 V C 2.424 178.445 176.094 -0.121 0.000 1.103 93 V CA 2.276 64.517 62.300 -0.098 0.000 1.099 93 V CB -1.260 30.477 31.823 -0.143 0.000 0.685 93 V HN 0.769 nan 8.190 nan 0.000 0.455 94 G N -1.420 107.223 108.800 -0.262 0.000 2.464 94 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.217 94 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.217 94 G C 1.303 176.048 174.900 -0.259 0.000 1.138 94 G CA 0.511 45.339 45.100 -0.453 0.000 0.793 94 G HN 0.594 nan 8.290 nan 0.000 0.539 95 F N -0.072 119.813 119.950 -0.109 0.000 2.749 95 F HA 0.336 4.863 4.527 -0.000 0.000 0.300 95 F C 2.203 177.925 175.800 -0.130 0.000 1.103 95 F CA -0.783 57.126 58.000 -0.152 0.000 1.342 95 F CB 0.133 39.014 39.000 -0.197 0.000 1.098 95 F HN -0.006 nan 8.300 nan 0.000 0.586 96 I N 1.137 121.716 120.570 0.015 0.000 2.130 96 I HA -0.484 3.686 4.170 -0.000 0.000 0.241 96 I C 2.795 178.848 176.117 -0.106 0.000 1.023 96 I CA 1.757 62.972 61.300 -0.142 0.000 1.293 96 I CB -0.519 37.422 38.000 -0.099 0.000 1.001 96 I HN 0.212 nan 8.210 nan 0.000 0.407 97 A N -0.179 122.621 122.820 -0.033 0.000 1.917 97 A HA -0.318 4.002 4.320 -0.000 0.000 0.219 97 A C 2.354 179.927 177.584 -0.017 0.000 1.182 97 A CA 2.335 54.357 52.037 -0.026 0.000 0.633 97 A CB -0.600 18.389 19.000 -0.019 0.000 0.819 97 A HN 0.437 nan 8.150 nan 0.000 0.448 98 K N -0.662 119.736 120.400 -0.002 0.000 2.116 98 K HA 0.062 4.382 4.320 -0.000 0.000 0.203 98 K C 1.802 178.455 176.600 0.088 0.000 1.052 98 K CA 0.955 57.249 56.287 0.012 0.000 0.952 98 K CB -0.243 32.199 32.500 -0.097 0.000 0.729 98 K HN 0.539 nan 8.250 nan 0.000 0.446 99 I N 1.289 121.871 120.570 0.021 0.000 2.264 99 I HA -0.333 3.837 4.170 -0.000 0.000 0.248 99 I C 2.493 178.745 176.117 0.225 0.000 1.111 99 I CA 1.282 62.611 61.300 0.048 0.000 1.382 99 I CB -0.245 37.670 38.000 -0.141 0.000 1.060 99 I HN 0.226 nan 8.210 nan 0.000 0.418 100 K N 1.671 122.122 120.400 0.085 0.000 1.973 100 K HA -0.189 4.131 4.320 -0.000 0.000 0.210 100 K C 2.139 178.868 176.600 0.216 0.000 1.045 100 K CA 1.457 57.811 56.287 0.111 0.000 0.937 100 K CB -0.053 32.477 32.500 0.050 0.000 0.721 100 K HN 0.100 nan 8.250 nan 0.000 0.438 101 K N 0.385 120.906 120.400 0.201 0.000 2.218 101 K HA -0.130 4.190 4.320 -0.000 0.000 0.205 101 K C 1.908 178.769 176.600 0.436 0.000 1.046 101 K CA 1.421 57.864 56.287 0.261 0.000 0.933 101 K CB -0.006 32.429 32.500 -0.109 0.000 0.728 101 K HN 0.086 nan 8.250 nan 0.000 0.454 102 V N 0.203 120.406 119.914 0.483 0.000 2.488 102 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 102 V C 2.386 178.663 176.094 0.304 0.000 1.046 102 V CA 1.218 63.845 62.300 0.545 0.000 1.053 102 V CB -0.467 31.805 31.823 0.748 0.000 0.679 102 V HN 0.396 nan 8.190 nan 0.000 0.458 103 C N 0.685 120.124 119.300 0.232 0.000 2.413 103 C HA -0.177 4.283 4.460 -0.000 0.000 0.276 103 C C 2.656 177.667 174.990 0.035 0.000 1.236 103 C CA 1.358 60.373 59.018 -0.004 0.000 1.735 103 C CB -1.043 26.710 27.740 0.022 0.000 2.031 103 C HN 0.629 nan 8.230 nan 0.000 0.474 104 E N -1.018 119.262 120.200 0.132 0.000 2.463 104 E HA -0.177 4.173 4.350 -0.000 0.000 0.201 104 E C 1.705 178.334 176.600 0.049 0.000 1.045 104 E CA 0.846 57.301 56.400 0.092 0.000 0.872 104 E CB -0.139 29.692 29.700 0.218 0.000 0.797 104 E HN 0.693 nan 8.360 nan 0.000 0.538 105 C N 0.043 119.407 119.300 0.107 0.000 3.019 105 C HA 0.206 4.666 4.460 -0.000 0.000 0.295 105 C C 0.914 175.923 174.990 0.031 0.000 1.256 105 C CA -0.442 58.615 59.018 0.066 0.000 1.706 105 C CB 0.315 28.131 27.740 0.128 0.000 2.153 105 C HN 0.052 nan 8.230 nan 0.000 0.618 106 V N -0.326 119.594 119.914 0.010 0.000 3.103 106 V HA 0.417 4.537 4.120 -0.000 0.000 0.318 106 V C -0.314 175.754 176.094 -0.044 0.000 1.114 106 V CA -0.747 61.539 62.300 -0.024 0.000 1.020 106 V CB 1.666 33.448 31.823 -0.069 0.000 1.085 106 V HN 0.348 nan 8.190 nan 0.000 0.446 107 C N 5.275 124.559 119.300 -0.028 0.000 2.295 107 C HA 0.588 5.048 4.460 -0.000 0.000 0.331 107 C C 0.466 175.464 174.990 0.013 0.000 1.280 107 C CA -0.906 58.108 59.018 -0.007 0.000 1.746 107 C CB -0.419 27.324 27.740 0.005 0.000 2.328 107 C HN 0.772 nan 8.230 nan 0.000 0.521 108 M N 4.962 124.585 119.600 0.038 0.000 2.043 108 M HA 0.204 4.684 4.480 -0.000 0.000 0.272 108 M C 1.519 177.935 176.300 0.193 0.000 1.279 108 M CA 0.751 56.101 55.300 0.084 0.000 1.109 108 M CB -0.593 32.088 32.600 0.135 0.000 1.377 108 M HN 1.033 nan 8.290 nan 0.000 0.469 109 H N -0.325 118.780 119.070 0.059 0.000 4.836 109 H HA -0.243 4.313 4.556 -0.000 0.000 0.067 109 H C 1.477 176.814 175.328 0.015 0.000 0.594 109 H CA 2.788 58.864 56.048 0.047 0.000 0.978 109 H CB -1.078 28.714 29.762 0.050 0.000 0.436 109 H HN 0.876 nan 8.280 nan 0.000 0.790 110 C N 0.703 120.131 119.300 0.213 0.000 2.964 110 C HA 0.692 5.152 4.460 -0.000 0.000 0.358 110 C C 1.640 176.654 174.990 0.040 0.000 1.289 110 C CA 1.103 60.179 59.018 0.097 0.000 1.856 110 C CB 0.201 27.986 27.740 0.075 0.000 2.488 110 C HN 1.557 nan 8.230 nan 0.000 0.604 111 G N 1.883 110.711 108.800 0.047 0.000 2.401 111 G HA2 -0.133 3.826 3.960 -0.000 0.000 0.283 111 G HA3 -0.133 3.826 3.960 -0.000 0.000 0.283 111 G C -0.453 174.460 174.900 0.022 0.000 1.117 111 G CA 0.605 45.724 45.100 0.031 0.000 1.051 111 G HN 1.019 nan 8.290 nan 0.000 0.510 112 K N 0.038 120.444 120.400 0.010 0.000 2.477 112 K HA 0.646 4.966 4.320 -0.000 0.000 0.255 112 K C 0.543 177.147 176.600 0.008 0.000 0.952 112 K CA -1.250 55.041 56.287 0.008 0.000 0.826 112 K CB 1.384 33.885 32.500 0.002 0.000 1.331 112 K HN 0.149 nan 8.250 nan 0.000 0.437 113 L N 4.122 125.353 121.223 0.013 0.000 2.514 113 L HA -0.026 4.314 4.340 -0.000 0.000 0.280 113 L C 1.108 177.979 176.870 0.002 0.000 1.223 113 L CA 0.117 54.966 54.840 0.015 0.000 0.864 113 L CB 0.367 42.437 42.059 0.019 0.000 1.118 113 L HN 0.664 nan 8.230 nan 0.000 0.494 114 L N 5.309 126.529 121.223 -0.006 0.000 2.675 114 L HA 0.140 4.480 4.340 -0.000 0.000 0.239 114 L C -0.183 176.679 176.870 -0.014 0.000 1.151 114 L CA 0.355 55.185 54.840 -0.016 0.000 0.905 114 L CB -0.404 41.634 42.059 -0.035 0.000 1.057 114 L HN 0.469 nan 8.230 nan 0.000 0.435 115 L N -1.021 120.198 121.223 -0.007 0.000 2.588 115 L HA 0.388 4.728 4.340 -0.000 0.000 0.263 115 L C -1.020 175.843 176.870 -0.011 0.000 0.935 115 L CA -0.519 54.319 54.840 -0.004 0.000 0.891 115 L CB 2.659 44.710 42.059 -0.014 0.000 1.318 115 L HN -0.115 nan 8.230 nan 0.000 0.409 116 D N 0.880 121.273 120.400 -0.012 0.000 2.549 116 D HA 0.204 4.844 4.640 -0.000 0.000 0.270 116 D C 0.349 176.586 176.300 -0.105 0.000 1.181 116 D CA -0.429 53.510 54.000 -0.101 0.000 1.070 116 D CB 1.628 42.296 40.800 -0.220 0.000 1.154 116 D HN 0.525 nan 8.370 nan 0.000 0.602 117 E N -0.387 119.689 120.200 -0.206 0.000 2.338 117 E HA -0.136 4.214 4.350 -0.000 0.000 0.197 117 E C 1.565 178.136 176.600 -0.049 0.000 1.007 117 E CA 0.898 57.226 56.400 -0.120 0.000 0.849 117 E CB -0.148 29.468 29.700 -0.140 0.000 0.774 117 E HN 0.346 nan 8.360 nan 0.000 0.506 118 H N 0.554 119.623 119.070 -0.002 0.000 2.319 118 H HA -0.071 4.485 4.556 -0.000 0.000 0.297 118 H C 0.984 176.308 175.328 -0.006 0.000 1.097 118 H CA 1.094 57.139 56.048 -0.005 0.000 1.285 118 H CB -0.480 29.277 29.762 -0.007 0.000 1.368 118 H HN 0.117 nan 8.280 nan 0.000 0.495 119 N N 1.542 120.307 118.700 0.108 0.000 2.442 119 N HA -0.074 4.666 4.740 -0.000 0.000 0.265 119 N C 1.191 176.719 175.510 0.030 0.000 1.138 119 N CA 0.163 53.244 53.050 0.052 0.000 0.956 119 N CB 1.417 39.920 38.487 0.028 0.000 1.067 119 N HN 0.420 nan 8.380 nan 0.000 0.474 120 E N 4.051 124.267 120.200 0.026 0.000 2.012 120 E HA -0.189 4.161 4.350 -0.000 0.000 0.197 120 E C 1.667 178.273 176.600 0.010 0.000 1.007 120 E CA 0.965 57.376 56.400 0.018 0.000 0.816 120 E CB -0.126 29.584 29.700 0.016 0.000 0.762 120 E HN 0.691 nan 8.360 nan 0.000 0.451 121 L N 0.371 121.598 121.223 0.005 0.000 2.450 121 L HA -0.206 4.134 4.340 -0.000 0.000 0.225 121 L C 2.391 179.261 176.870 -0.000 0.000 1.145 121 L CA 0.836 55.676 54.840 0.001 0.000 0.801 121 L CB -0.102 41.953 42.059 -0.006 0.000 0.924 121 L HN 0.421 nan 8.230 nan 0.000 0.447 122 M N -0.651 118.949 119.600 0.000 0.000 2.191 122 M HA -0.109 4.371 4.480 -0.000 0.000 0.262 122 M C 2.226 178.529 176.300 0.004 0.000 1.083 122 M CA 1.617 56.916 55.300 -0.001 0.000 1.154 122 M CB -0.294 32.304 32.600 -0.004 0.000 1.344 122 M HN -0.033 nan 8.290 nan 0.000 0.431 123 R N -0.179 120.323 120.500 0.003 0.000 2.119 123 R HA -0.262 4.078 4.340 -0.000 0.000 0.246 123 R C 2.362 178.669 176.300 0.012 0.000 1.146 123 R CA 2.204 58.306 56.100 0.004 0.000 0.962 123 R CB -0.757 29.546 30.300 0.005 0.000 0.863 123 R HN 0.655 nan 8.270 nan 0.000 0.442 124 Q N 0.030 119.837 119.800 0.012 0.000 2.173 124 Q HA -0.234 4.106 4.340 -0.000 0.000 0.208 124 Q C 1.851 177.863 176.000 0.020 0.000 0.989 124 Q CA 1.988 57.800 55.803 0.015 0.000 0.872 124 Q CB -0.042 28.703 28.738 0.013 0.000 0.909 124 Q HN 0.438 nan 8.270 nan 0.000 0.420 125 A N 0.226 123.058 122.820 0.020 0.000 1.861 125 A HA -0.023 4.297 4.320 -0.000 0.000 0.212 125 A C 1.856 179.462 177.584 0.037 0.000 1.199 125 A CA 0.541 52.596 52.037 0.029 0.000 0.613 125 A CB -0.556 18.459 19.000 0.025 0.000 0.846 125 A HN 0.416 nan 8.150 nan 0.000 0.446 126 L N -0.244 120.998 121.223 0.032 0.000 2.661 126 L HA -0.191 4.149 4.340 -0.000 0.000 0.236 126 L C 2.435 179.326 176.870 0.036 0.000 1.176 126 L CA 0.552 55.414 54.840 0.037 0.000 0.836 126 L CB -0.207 41.865 42.059 0.023 0.000 0.960 126 L HN 0.508 nan 8.230 nan 0.000 0.455 127 A N -0.505 122.335 122.820 0.033 0.000 1.963 127 A HA 0.199 4.519 4.320 -0.000 0.000 0.207 127 A C 1.162 178.768 177.584 0.037 0.000 1.243 127 A CA -0.307 51.748 52.037 0.031 0.000 0.728 127 A CB -0.017 18.998 19.000 0.026 0.000 0.895 127 A HN 0.201 nan 8.150 nan 0.000 0.467 128 I N 2.313 122.907 120.570 0.040 0.000 3.388 128 I HA -0.158 4.012 4.170 -0.000 0.000 0.298 128 I C -0.181 175.963 176.117 0.046 0.000 1.238 128 I CA 0.586 61.912 61.300 0.043 0.000 1.376 128 I CB -0.363 37.667 38.000 0.050 0.000 1.470 128 I HN 0.221 nan 8.210 nan 0.000 0.547 129 K N 6.120 126.544 120.400 0.039 0.000 2.338 129 K HA 0.197 4.516 4.320 -0.000 0.000 0.290 129 K C -0.410 176.212 176.600 0.036 0.000 1.069 129 K CA 0.013 56.323 56.287 0.038 0.000 0.941 129 K CB 0.319 32.839 32.500 0.033 0.000 1.023 129 K HN 0.543 nan 8.250 nan 0.000 0.477 130 D N 1.709 122.132 120.400 0.039 0.000 3.463 130 D HA -0.108 4.531 4.640 -0.000 0.000 0.117 130 D C 0.789 177.111 176.300 0.038 0.000 0.807 130 D CA 0.442 54.460 54.000 0.031 0.000 2.034 130 D CB -0.503 40.314 40.800 0.028 0.000 0.882 130 D HN 0.373 nan 8.370 nan 0.000 0.920 131 S N 3.319 119.036 115.700 0.028 0.000 2.432 131 S HA -0.409 4.061 4.470 -0.000 0.000 0.266 131 S C 1.900 176.525 174.600 0.042 0.000 1.076 131 S CA 1.322 59.538 58.200 0.026 0.000 1.320 131 S CB -0.391 62.784 63.200 -0.042 0.000 1.222 131 S HN 0.510 nan 8.310 nan 0.000 0.439 132 K N 1.699 122.091 120.400 -0.013 0.000 2.090 132 K HA -0.180 4.140 4.320 -0.000 0.000 0.218 132 K C 2.172 178.821 176.600 0.081 0.000 1.055 132 K CA 2.230 58.516 56.287 -0.001 0.000 0.941 132 K CB -0.706 31.774 32.500 -0.034 0.000 0.722 132 K HN 0.646 nan 8.250 nan 0.000 0.458 133 K N 0.141 120.583 120.400 0.069 0.000 2.228 133 K HA -0.022 4.298 4.320 -0.000 0.000 0.202 133 K C 2.344 179.007 176.600 0.104 0.000 1.051 133 K CA 0.392 56.728 56.287 0.082 0.000 0.960 133 K CB 0.045 32.579 32.500 0.056 0.000 0.743 133 K HN 0.124 nan 8.250 nan 0.000 0.458 134 R N 0.588 121.157 120.500 0.116 0.000 2.061 134 R HA -0.113 4.227 4.340 -0.000 0.000 0.230 134 R C 2.105 178.503 176.300 0.163 0.000 1.140 134 R CA 1.356 57.529 56.100 0.121 0.000 0.940 134 R CB -0.378 29.995 30.300 0.121 0.000 0.839 134 R HN 0.132 nan 8.270 nan 0.000 0.429 135 F N 1.512 121.502 119.950 0.068 0.000 2.287 135 F HA -0.205 4.322 4.527 -0.000 0.000 0.301 135 F C 1.881 177.754 175.800 0.122 0.000 1.069 135 F CA 1.290 59.349 58.000 0.098 0.000 1.372 135 F CB -0.191 38.839 39.000 0.049 0.000 1.056 135 F HN 0.172 nan 8.300 nan 0.000 0.523 136 A N 0.493 123.427 122.820 0.190 0.000 1.841 136 A HA -0.003 4.317 4.320 -0.000 0.000 0.214 136 A C 2.474 180.128 177.584 0.116 0.000 1.195 136 A CA 1.765 53.885 52.037 0.139 0.000 0.611 136 A CB -1.616 17.464 19.000 0.133 0.000 0.835 136 A HN 0.472 nan 8.150 nan 0.000 0.443 137 A N 0.167 123.039 122.820 0.086 0.000 1.841 137 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 137 A C 2.065 179.667 177.584 0.029 0.000 1.199 137 A CA 1.641 53.714 52.037 0.060 0.000 0.621 137 A CB -0.945 18.083 19.000 0.046 0.000 0.835 137 A HN 0.507 nan 8.150 nan 0.000 0.445 138 I N -2.231 118.346 120.570 0.011 0.000 2.285 138 I HA -0.347 3.823 4.170 -0.000 0.000 0.253 138 I C 2.359 178.442 176.117 -0.056 0.000 1.104 138 I CA 2.159 63.446 61.300 -0.021 0.000 1.372 138 I CB -0.368 37.631 38.000 -0.001 0.000 1.057 138 I HN 0.788 nan 8.210 nan 0.000 0.431 139 W N 1.727 122.828 121.300 -0.332 0.000 2.474 139 W HA -0.150 4.510 4.660 -0.000 0.000 0.319 139 W C 2.665 179.081 176.519 -0.173 0.000 1.165 139 W CA 1.863 59.006 57.345 -0.337 0.000 1.356 139 W CB -0.825 28.343 29.460 -0.487 0.000 1.172 139 W HN -0.134 nan 8.180 nan 0.000 0.478 140 T N 2.362 116.890 114.554 -0.044 0.000 2.751 140 T HA -0.310 4.040 4.350 -0.000 0.000 0.268 140 T C 1.867 176.394 174.700 -0.289 0.000 1.045 140 T CA 1.861 63.784 62.100 -0.295 0.000 1.142 140 T CB -0.632 68.242 68.868 0.009 0.000 0.851 140 T HN 0.193 nan 8.240 nan 0.000 0.474 141 L N 0.718 121.838 121.223 -0.171 0.000 1.988 141 L HA -0.082 4.258 4.340 -0.000 0.000 0.207 141 L C 2.133 178.900 176.870 -0.171 0.000 1.071 141 L CA 1.601 56.361 54.840 -0.134 0.000 0.744 141 L CB -0.281 41.734 42.059 -0.073 0.000 0.893 141 L HN 0.478 nan 8.230 nan 0.000 0.433 142 C N -2.157 117.031 119.300 -0.186 0.000 2.492 142 C HA 0.199 4.659 4.460 -0.000 0.000 0.317 142 C C 1.878 176.720 174.990 -0.246 0.000 1.347 142 C CA -0.796 58.119 59.018 -0.173 0.000 1.759 142 C CB -1.513 26.166 27.740 -0.101 0.000 2.127 142 C HN 0.454 nan 8.230 nan 0.000 0.579 143 K N 0.361 120.510 120.400 -0.419 0.000 2.365 143 K HA 0.026 4.346 4.320 -0.000 0.000 0.197 143 K C 1.405 177.812 176.600 -0.322 0.000 1.042 143 K CA 1.138 57.122 56.287 -0.505 0.000 0.987 143 K CB -0.391 31.492 32.500 -1.028 0.000 0.779 143 K HN 0.312 nan 8.250 nan 0.000 0.484 144 T N 0.766 115.159 114.554 -0.267 0.000 2.901 144 T HA 0.012 4.362 4.350 -0.000 0.000 0.252 144 T C 0.481 175.102 174.700 -0.131 0.000 1.035 144 T CA 0.240 62.231 62.100 -0.181 0.000 1.142 144 T CB 0.066 68.840 68.868 -0.156 0.000 0.869 144 T HN 0.018 nan 8.240 nan 0.000 0.442 145 K N 2.344 122.671 120.400 -0.122 0.000 2.405 145 K HA 0.046 4.366 4.320 -0.000 0.000 0.276 145 K C -0.076 176.475 176.600 -0.083 0.000 1.099 145 K CA 0.543 56.779 56.287 -0.086 0.000 1.120 145 K CB -0.132 32.323 32.500 -0.075 0.000 0.877 145 K HN 0.388 nan 8.250 nan 0.000 0.472 146 M N 3.349 122.909 119.600 -0.066 0.000 2.785 146 M HA 0.144 4.624 4.480 -0.000 0.000 0.374 146 M C -0.972 175.308 176.300 -0.034 0.000 1.221 146 M CA -0.325 54.938 55.300 -0.062 0.000 0.912 146 M CB 0.902 33.461 32.600 -0.068 0.000 1.355 146 M HN -0.026 nan 8.290 nan 0.000 0.513 147 V N -0.217 119.680 119.914 -0.029 0.000 2.752 147 V HA 0.105 4.225 4.120 -0.000 0.000 0.302 147 V C -0.613 175.469 176.094 -0.020 0.000 1.133 147 V CA -1.239 61.051 62.300 -0.015 0.000 0.919 147 V CB 2.227 34.042 31.823 -0.013 0.000 1.026 147 V HN 0.402 nan 8.190 nan 0.000 0.429 148 C N 5.421 124.709 119.300 -0.021 0.000 3.031 148 C HA 0.217 4.677 4.460 -0.000 0.000 0.489 148 C C 1.029 176.005 174.990 -0.024 0.000 1.020 148 C CA -0.424 58.579 59.018 -0.024 0.000 1.104 148 C CB -2.049 25.672 27.740 -0.032 0.000 1.470 148 C HN 0.888 nan 8.230 nan 0.000 0.583 149 E N 2.161 122.350 120.200 -0.017 0.000 2.608 149 E HA -0.063 4.287 4.350 -0.000 0.000 0.259 149 E C 1.043 177.636 176.600 -0.012 0.000 0.951 149 E CA 0.487 56.878 56.400 -0.015 0.000 0.945 149 E CB 0.622 30.316 29.700 -0.010 0.000 0.916 149 E HN 0.625 nan 8.360 nan 0.000 0.477 150 T N 1.992 116.535 114.554 -0.020 0.000 3.037 150 T HA 0.024 4.374 4.350 -0.000 0.000 0.251 150 T C -0.274 174.413 174.700 -0.022 0.000 1.079 150 T CA 0.262 62.350 62.100 -0.019 0.000 1.067 150 T CB 0.294 69.147 68.868 -0.026 0.000 0.948 150 T HN 0.393 nan 8.240 nan 0.000 0.496 151 D N 0.710 121.092 120.400 -0.030 0.000 2.977 151 D HA 0.481 5.121 4.640 -0.000 0.000 0.220 151 D C -1.237 175.029 176.300 -0.056 0.000 1.267 151 D CA -0.255 53.715 54.000 -0.050 0.000 0.884 151 D CB 2.953 43.725 40.800 -0.046 0.000 1.667 151 D HN -0.050 nan 8.370 nan 0.000 0.536 152 V N 1.478 121.336 119.914 -0.093 0.000 2.876 152 V HA 0.434 4.554 4.120 -0.000 0.000 0.312 152 V C -2.407 173.623 176.094 -0.107 0.000 1.085 152 V CA -1.885 60.364 62.300 -0.085 0.000 0.945 152 V CB 2.480 34.263 31.823 -0.067 0.000 1.017 152 V HN 0.362 nan 8.190 nan 0.000 0.428 153 P HA 0.072 nan 4.420 nan 0.000 0.263 153 P C 0.345 177.605 177.300 -0.066 0.000 1.247 153 P CA 0.236 63.301 63.100 -0.059 0.000 0.876 153 P CB 0.216 31.895 31.700 -0.035 0.000 0.928 154 S N 2.922 118.568 115.700 -0.089 0.000 2.587 154 S HA -0.107 4.363 4.470 -0.000 0.000 0.257 154 S C 0.876 175.460 174.600 -0.026 0.000 1.397 154 S CA -0.181 57.972 58.200 -0.078 0.000 0.983 154 S CB -0.011 63.146 63.200 -0.070 0.000 0.885 154 S HN 0.462 nan 8.310 nan 0.000 0.556 155 E N 0.856 121.056 120.200 0.000 0.000 2.322 155 E HA 0.035 4.384 4.350 -0.000 0.000 0.195 155 E C -0.088 176.515 176.600 0.005 0.000 1.198 155 E CA 0.014 56.422 56.400 0.013 0.000 1.132 155 E CB -0.194 29.525 29.700 0.031 0.000 1.213 155 E HN 0.483 nan 8.360 nan 0.000 0.450 156 D N 0.928 121.325 120.400 -0.005 0.000 2.931 156 D HA 0.020 4.660 4.640 -0.000 0.000 0.241 156 D C 0.350 176.646 176.300 -0.007 0.000 1.494 156 D CA 0.263 54.259 54.000 -0.005 0.000 1.260 156 D CB 0.234 41.029 40.800 -0.009 0.000 0.953 156 D HN 0.132 nan 8.370 nan 0.000 0.240 157 D N 0.251 120.644 120.400 -0.012 0.000 2.433 157 D HA 0.203 4.843 4.640 -0.000 0.000 0.236 157 D C -2.229 174.061 176.300 -0.017 0.000 1.026 157 D CA -1.589 52.404 54.000 -0.012 0.000 0.884 157 D CB 2.618 43.412 40.800 -0.011 0.000 1.384 157 D HN -0.064 nan 8.370 nan 0.000 0.477 158 P HA -0.039 nan 4.420 nan 0.000 0.245 158 P C 0.884 178.173 177.300 -0.018 0.000 1.212 158 P CA 0.399 63.488 63.100 -0.017 0.000 0.774 158 P CB 0.317 32.009 31.700 -0.013 0.000 0.999 159 T N 0.846 115.390 114.554 -0.017 0.000 2.559 159 T HA -0.113 4.237 4.350 -0.000 0.000 0.251 159 T C 0.608 175.295 174.700 -0.021 0.000 1.122 159 T CA 1.080 63.170 62.100 -0.016 0.000 1.231 159 T CB -0.842 68.018 68.868 -0.014 0.000 0.881 159 T HN 0.295 nan 8.240 nan 0.000 0.397 160 Q N 2.246 122.032 119.800 -0.022 0.000 2.293 160 Q HA 0.460 4.800 4.340 -0.000 0.000 0.263 160 Q C -0.842 175.135 176.000 -0.038 0.000 1.002 160 Q CA 0.001 55.788 55.803 -0.027 0.000 0.910 160 Q CB 0.037 28.761 28.738 -0.024 0.000 1.185 160 Q HN 0.337 nan 8.270 nan 0.000 0.401 161 L N 3.462 124.660 121.223 -0.042 0.000 2.312 161 L HA 0.505 4.844 4.340 -0.000 0.000 0.281 161 L C -0.091 176.737 176.870 -0.070 0.000 1.070 161 L CA -1.019 53.786 54.840 -0.057 0.000 0.805 161 L CB 1.166 43.196 42.059 -0.049 0.000 1.174 161 L HN 0.567 nan 8.230 nan 0.000 0.434 162 V N 1.119 120.968 119.914 -0.108 0.000 3.109 162 V HA 0.505 4.625 4.120 -0.000 0.000 0.317 162 V C 0.433 176.451 176.094 -0.126 0.000 1.074 162 V CA -0.735 61.490 62.300 -0.124 0.000 1.033 162 V CB 1.662 33.375 31.823 -0.183 0.000 1.111 162 V HN 0.932 nan 8.190 nan 0.000 0.458 163 S N 1.643 117.288 115.700 -0.092 0.000 2.593 163 S HA 0.832 5.302 4.470 -0.000 0.000 0.297 163 S C -0.342 174.244 174.600 -0.022 0.000 1.112 163 S CA -0.806 57.361 58.200 -0.055 0.000 1.043 163 S CB 2.238 65.420 63.200 -0.029 0.000 1.054 163 S HN 0.971 nan 8.310 nan 0.000 0.516 164 R N 1.490 121.999 120.500 0.015 0.000 3.147 164 R HA 0.716 5.056 4.340 -0.000 0.000 0.139 164 R C 0.648 176.970 176.300 0.037 0.000 0.919 164 R CA -0.725 55.421 56.100 0.078 0.000 0.577 164 R CB -0.461 29.933 30.300 0.157 0.000 0.955 164 R HN 0.716 nan 8.270 nan 0.000 0.377 165 G N -0.444 108.376 108.800 0.034 0.000 2.636 165 G HA2 0.395 4.355 3.960 -0.000 0.000 0.246 165 G HA3 0.395 4.355 3.960 -0.000 0.000 0.246 165 G C 0.010 174.908 174.900 -0.003 0.000 1.216 165 G CA -0.099 45.007 45.100 0.010 0.000 0.854 165 G HN 0.608 nan 8.290 nan 0.000 0.572 166 G N -1.519 107.273 108.800 -0.014 0.000 2.773 166 G HA2 0.470 4.430 3.960 -0.000 0.000 0.186 166 G HA3 0.470 4.430 3.960 -0.000 0.000 0.186 166 G C 0.642 175.509 174.900 -0.055 0.000 1.411 166 G CA 0.301 45.383 45.100 -0.029 0.000 1.054 166 G HN 2.108 nan 8.290 nan 0.000 0.579 167 C N -1.827 117.423 119.300 -0.083 0.000 1.558 167 C HA -0.003 4.457 4.460 -0.000 0.000 0.192 167 C C 1.523 176.427 174.990 -0.143 0.000 0.861 167 C CA -0.807 58.112 59.018 -0.166 0.000 3.360 167 C CB -1.765 25.792 27.740 -0.304 0.000 1.900 167 C HN 1.518 nan 8.230 nan 0.000 0.198 168 G N 3.519 112.252 108.800 -0.112 0.000 2.880 168 G HA2 0.115 4.075 3.960 -0.000 0.000 0.209 168 G HA3 0.115 4.075 3.960 -0.000 0.000 0.209 168 G C 0.523 175.387 174.900 -0.060 0.000 1.157 168 G CA 0.169 45.227 45.100 -0.070 0.000 0.779 168 G HN 1.073 nan 8.290 nan 0.000 0.539 169 N N 2.080 120.717 118.700 -0.104 0.000 1.670 169 N HA -0.116 4.624 4.740 -0.000 0.000 0.343 169 N C 0.266 175.808 175.510 0.054 0.000 1.274 169 N CA 0.930 53.958 53.050 -0.037 0.000 0.788 169 N CB 0.069 38.501 38.487 -0.091 0.000 1.019 169 N HN 0.022 nan 8.380 nan 0.000 0.515 170 T N 2.835 117.451 114.554 0.103 0.000 2.939 170 T HA -0.054 4.296 4.350 -0.000 0.000 0.319 170 T C 0.778 175.577 174.700 0.165 0.000 1.082 170 T CA -0.025 62.148 62.100 0.123 0.000 1.133 170 T CB 0.496 69.454 68.868 0.150 0.000 1.019 170 T HN 0.255 nan 8.240 nan 0.000 0.548 171 Q N 3.685 123.505 119.800 0.034 0.000 2.296 171 Q HA 0.243 4.583 4.340 -0.000 0.000 0.257 171 Q C -2.117 173.728 176.000 -0.259 0.000 0.942 171 Q CA -2.362 53.393 55.803 -0.080 0.000 0.939 171 Q CB 1.086 29.774 28.738 -0.083 0.000 1.198 171 Q HN 0.441 nan 8.270 nan 0.000 0.429 172 P HA -0.047 nan 4.420 nan 0.000 0.267 172 P C -0.128 176.843 177.300 -0.549 0.000 1.209 172 P CA -0.045 62.404 63.100 -1.085 0.000 0.763 172 P CB 0.577 30.840 31.700 -2.394 0.000 0.816 173 T N 4.839 119.189 114.554 -0.341 0.000 2.799 173 T HA 0.267 4.616 4.350 -0.000 0.000 0.296 173 T C 0.348 174.924 174.700 -0.207 0.000 0.947 173 T CA -0.172 61.807 62.100 -0.201 0.000 1.141 173 T CB -0.694 68.107 68.868 -0.111 0.000 0.891 173 T HN 0.197 nan 8.240 nan 0.000 0.533 174 I N 6.218 126.696 120.570 -0.153 0.000 2.428 174 I HA 0.555 4.725 4.170 -0.000 0.000 0.296 174 I C 0.449 176.552 176.117 -0.023 0.000 0.985 174 I CA -0.881 60.358 61.300 -0.101 0.000 1.260 174 I CB 1.333 39.290 38.000 -0.073 0.000 1.389 174 I HN 0.626 nan 8.210 nan 0.000 0.484 175 R N 4.227 124.725 120.500 -0.004 0.000 2.725 175 R HA 0.531 4.871 4.340 -0.000 0.000 0.277 175 R C -1.251 175.072 176.300 0.038 0.000 0.987 175 R CA -1.126 54.989 56.100 0.025 0.000 0.901 175 R CB 1.911 32.225 30.300 0.024 0.000 1.207 175 R HN 0.438 nan 8.270 nan 0.000 0.463 176 K N 1.501 121.927 120.400 0.043 0.000 2.185 176 K HA 0.124 4.444 4.320 -0.000 0.000 0.271 176 K C -1.140 175.494 176.600 0.056 0.000 1.013 176 K CA -0.337 55.978 56.287 0.047 0.000 0.943 176 K CB 0.984 33.507 32.500 0.038 0.000 0.998 176 K HN 0.746 nan 8.250 nan 0.000 0.468 177 D N 2.960 123.403 120.400 0.072 0.000 2.764 177 D HA 0.236 4.876 4.640 -0.000 0.000 0.227 177 D C 0.386 176.742 176.300 0.093 0.000 1.347 177 D CA 0.638 54.682 54.000 0.074 0.000 0.953 177 D CB 1.216 42.059 40.800 0.071 0.000 1.476 177 D HN 0.827 nan 8.370 nan 0.000 0.585 178 G N 3.378 112.231 108.800 0.087 0.000 2.651 178 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.315 178 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.315 178 G C 0.580 175.562 174.900 0.138 0.000 1.258 178 G CA 0.697 45.862 45.100 0.107 0.000 1.002 178 G HN 0.596 nan 8.290 nan 0.000 0.551 179 L N 1.003 122.332 121.223 0.177 0.000 3.062 179 L HA 0.377 4.717 4.340 -0.000 0.000 0.255 179 L C -0.125 176.954 176.870 0.347 0.000 1.274 179 L CA -0.216 54.776 54.840 0.255 0.000 1.047 179 L CB 0.094 42.305 42.059 0.253 0.000 1.402 179 L HN 0.163 nan 8.230 nan 0.000 0.550 180 K N 1.670 122.232 120.400 0.270 0.000 2.397 180 K HA 0.566 4.886 4.320 -0.000 0.000 0.253 180 K C -0.859 175.886 176.600 0.240 0.000 0.932 180 K CA -0.475 55.987 56.287 0.291 0.000 0.795 180 K CB 3.142 35.747 32.500 0.174 0.000 1.159 180 K HN 0.068 nan 8.250 nan 0.000 0.424 181 L N 2.359 123.756 121.223 0.289 0.000 2.289 181 L HA 0.490 4.830 4.340 -0.000 0.000 0.285 181 L C -0.457 176.502 176.870 0.149 0.000 1.049 181 L CA -1.003 53.934 54.840 0.161 0.000 0.804 181 L CB 1.531 43.667 42.059 0.127 0.000 1.195 181 L HN 0.181 nan 8.230 nan 0.000 0.428 182 V N 2.334 122.304 119.914 0.094 0.000 2.789 182 V HA 0.743 4.863 4.120 -0.000 0.000 0.311 182 V C 0.260 176.362 176.094 0.013 0.000 1.073 182 V CA -0.463 61.890 62.300 0.089 0.000 0.921 182 V CB 1.988 33.871 31.823 0.100 0.000 1.009 182 V HN 0.872 nan 8.190 nan 0.000 0.426 183 G N 1.742 110.520 108.800 -0.036 0.000 2.788 183 G HA2 0.742 4.702 3.960 -0.000 0.000 0.293 183 G HA3 0.742 4.702 3.960 -0.000 0.000 0.293 183 G C -0.677 174.156 174.900 -0.112 0.000 1.305 183 G CA -0.290 44.636 45.100 -0.291 0.000 1.005 183 G HN 1.081 nan 8.290 nan 0.000 0.496 184 S N -0.693 114.891 115.700 -0.194 0.000 2.571 184 S HA 0.300 4.770 4.470 -0.000 0.000 0.238 184 S C -1.044 173.699 174.600 0.239 0.000 1.153 184 S CA -0.806 57.527 58.200 0.222 0.000 1.141 184 S CB 0.099 63.375 63.200 0.127 0.000 1.133 184 S HN 0.643 nan 8.310 nan 0.000 0.464 185 W N 3.259 124.568 121.300 0.015 0.000 2.481 185 W HA 0.358 5.018 4.660 -0.000 0.000 0.320 185 W C 0.602 177.124 176.519 0.006 0.000 1.209 185 W CA -0.976 56.375 57.345 0.010 0.000 1.400 185 W CB 0.594 30.062 29.460 0.013 0.000 1.361 185 W HN 0.543 nan 8.180 nan 0.000 0.456 186 K N 3.936 124.461 120.400 0.207 0.000 2.118 186 K HA 0.434 4.754 4.320 -0.000 0.000 0.267 186 K C -0.276 176.382 176.600 0.098 0.000 0.991 186 K CA -0.106 56.255 56.287 0.124 0.000 0.916 186 K CB 1.377 33.922 32.500 0.076 0.000 1.041 186 K HN 0.477 nan 8.250 nan 0.000 0.455 196 E N 0.178 120.393 120.200 0.025 0.000 8.064 196 E HA -0.132 4.218 4.350 -0.000 0.000 0.466 196 E C -2.848 173.779 176.600 0.046 0.000 0.773 196 E CA -0.336 56.082 56.400 0.031 0.000 1.348 196 E CB -0.143 29.571 29.700 0.025 0.000 0.986 196 E HN 0.161 nan 8.360 nan 0.000 0.265 197 P HA 0.222 nan 4.420 nan 0.000 0.282 197 P C -0.734 176.624 177.300 0.097 0.000 1.287 197 P CA -0.022 63.135 63.100 0.096 0.000 0.792 197 P CB 0.425 32.187 31.700 0.102 0.000 1.163 198 E N 0.154 120.445 120.200 0.153 0.000 3.406 198 E HA 0.250 4.600 4.350 -0.000 0.000 0.210 198 E C -0.496 176.209 176.600 0.176 0.000 1.167 198 E CA -0.373 56.080 56.400 0.088 0.000 1.132 198 E CB -0.021 29.658 29.700 -0.035 0.000 1.309 198 E HN 0.335 nan 8.360 nan 0.000 0.424 199 L N 1.910 123.240 121.223 0.178 0.000 2.628 199 L HA 0.115 4.455 4.340 -0.000 0.000 0.274 199 L C 0.546 177.531 176.870 0.193 0.000 1.209 199 L CA 0.822 55.793 54.840 0.219 0.000 0.930 199 L CB -0.201 41.936 42.059 0.130 0.000 1.183 199 L HN 0.212 nan 8.230 nan 0.000 0.492 200 R N 2.312 123.012 120.500 0.333 0.000 2.668 200 R HA 0.525 4.865 4.340 -0.000 0.000 0.272 200 R C -1.405 175.065 176.300 0.283 0.000 1.019 200 R CA -0.768 55.469 56.100 0.227 0.000 0.894 200 R CB 2.174 32.530 30.300 0.094 0.000 1.228 200 R HN 0.334 nan 8.270 nan 0.000 0.460 201 V N 4.705 124.720 119.914 0.168 0.000 2.614 201 V HA 0.192 4.312 4.120 -0.000 0.000 0.291 201 V C 0.497 176.709 176.094 0.197 0.000 1.049 201 V CA -0.263 62.132 62.300 0.159 0.000 1.038 201 V CB 1.112 32.992 31.823 0.095 0.000 0.980 201 V HN 0.575 nan 8.190 nan 0.000 0.481 202 L N 4.858 126.209 121.223 0.213 0.000 2.325 202 L HA 0.255 4.595 4.340 -0.000 0.000 0.284 202 L C 0.896 177.892 176.870 0.210 0.000 1.089 202 L CA 0.254 55.233 54.840 0.232 0.000 0.836 202 L CB 1.114 43.310 42.059 0.229 0.000 1.184 202 L HN 0.847 nan 8.230 nan 0.000 0.444 203 S N 2.102 117.899 115.700 0.161 0.000 2.572 203 S HA 0.078 4.548 4.470 -0.000 0.000 0.279 203 S C 1.236 175.895 174.600 0.098 0.000 1.341 203 S CA -0.293 57.968 58.200 0.102 0.000 1.043 203 S CB 1.247 64.498 63.200 0.084 0.000 0.887 203 S HN 0.670 nan 8.310 nan 0.000 0.516 204 T N 3.984 118.525 114.554 -0.023 0.000 2.614 204 T HA -0.103 4.247 4.350 -0.000 0.000 0.263 204 T C 1.488 176.217 174.700 0.048 0.000 1.055 204 T CA 1.908 63.953 62.100 -0.091 0.000 1.162 204 T CB -0.819 67.877 68.868 -0.287 0.000 0.863 204 T HN 0.817 nan 8.240 nan 0.000 0.414 205 E N 1.269 121.486 120.200 0.028 0.000 2.169 205 E HA -0.209 4.141 4.350 -0.000 0.000 0.202 205 E C 2.032 178.681 176.600 0.081 0.000 1.016 205 E CA 1.423 57.854 56.400 0.052 0.000 0.817 205 E CB -0.308 29.416 29.700 0.041 0.000 0.736 205 E HN 0.686 nan 8.360 nan 0.000 0.462 206 E N 0.287 120.545 120.200 0.097 0.000 2.006 206 E HA -0.190 4.160 4.350 -0.000 0.000 0.192 206 E C 1.974 178.660 176.600 0.144 0.000 0.993 206 E CA 1.098 57.566 56.400 0.113 0.000 0.808 206 E CB -0.011 29.765 29.700 0.127 0.000 0.764 206 E HN 0.125 nan 8.360 nan 0.000 0.449 207 I N 1.884 122.579 120.570 0.208 0.000 2.091 207 I HA -0.325 3.845 4.170 -0.000 0.000 0.239 207 I C 2.782 179.114 176.117 0.357 0.000 1.061 207 I CA 1.183 62.663 61.300 0.301 0.000 1.317 207 I CB -1.353 36.953 38.000 0.510 0.000 1.031 207 I HN 0.412 nan 8.210 nan 0.000 0.401 208 L N 0.750 122.160 121.223 0.310 0.000 2.011 208 L HA -0.361 3.978 4.340 -0.000 0.000 0.225 208 L C 2.567 179.542 176.870 0.174 0.000 1.084 208 L CA 2.208 57.192 54.840 0.240 0.000 0.791 208 L CB -0.529 41.610 42.059 0.134 0.000 0.898 208 L HN 0.422 nan 8.230 nan 0.000 0.440 209 N N 0.333 119.094 118.700 0.101 0.000 2.043 209 N HA -0.235 4.505 4.740 -0.000 0.000 0.193 209 N C 1.879 177.411 175.510 0.036 0.000 1.037 209 N CA 2.187 55.248 53.050 0.019 0.000 0.851 209 N CB -0.284 38.225 38.487 0.038 0.000 1.027 209 N HN 0.418 nan 8.380 nan 0.000 0.422 210 I N 0.334 120.946 120.570 0.070 0.000 2.113 210 I HA -0.330 3.840 4.170 -0.000 0.000 0.242 210 I C 2.033 178.145 176.117 -0.009 0.000 1.064 210 I CA 1.294 62.605 61.300 0.018 0.000 1.320 210 I CB -0.519 37.409 38.000 -0.119 0.000 1.028 210 I HN 0.032 nan 8.210 nan 0.000 0.406 211 F N 1.132 121.107 119.950 0.043 0.000 2.025 211 F HA -0.264 4.263 4.527 -0.000 0.000 0.297 211 F C 2.574 178.370 175.800 -0.007 0.000 1.132 211 F CA 1.724 59.725 58.000 0.001 0.000 1.191 211 F CB -0.812 38.162 39.000 -0.044 0.000 0.963 211 F HN -0.113 nan 8.300 nan 0.000 0.481 212 K N -0.887 119.594 120.400 0.136 0.000 2.207 212 K HA -0.258 4.062 4.320 -0.000 0.000 0.208 212 K C 1.781 178.371 176.600 -0.017 0.000 1.046 212 K CA 1.774 58.049 56.287 -0.021 0.000 0.929 212 K CB -0.321 32.084 32.500 -0.158 0.000 0.720 212 K HN 0.344 nan 8.250 nan 0.000 0.463 213 H N -0.243 118.870 119.070 0.072 0.000 2.551 213 H HA 0.123 4.679 4.556 -0.000 0.000 0.266 213 H C 0.362 175.706 175.328 0.026 0.000 0.977 213 H CA 0.225 56.294 56.048 0.035 0.000 1.163 213 H CB -0.090 29.684 29.762 0.020 0.000 1.381 213 H HN 0.110 nan 8.280 nan 0.000 0.581 214 I N 2.589 123.267 120.570 0.181 0.000 2.683 214 I HA -0.100 4.070 4.170 -0.000 0.000 0.286 214 I C 0.952 177.066 176.117 -0.005 0.000 1.175 214 I CA 0.036 61.414 61.300 0.130 0.000 1.429 214 I CB 0.467 38.604 38.000 0.229 0.000 1.371 214 I HN 0.125 nan 8.210 nan 0.000 0.569 215 S N 5.061 120.697 115.700 -0.107 0.000 2.579 215 S HA 0.126 4.596 4.470 -0.000 0.000 0.275 215 S C 1.192 175.406 174.600 -0.643 0.000 1.345 215 S CA -1.000 57.036 58.200 -0.273 0.000 1.031 215 S CB 1.551 64.658 63.200 -0.155 0.000 0.892 215 S HN 0.415 nan 8.310 nan 0.000 0.529 216 V N 2.710 122.170 119.914 -0.757 0.000 2.282 216 V HA -0.217 3.903 4.120 -0.000 0.000 0.249 216 V C 2.634 178.442 176.094 -0.476 0.000 1.057 216 V CA 2.200 63.917 62.300 -0.970 0.000 1.032 216 V CB -0.988 30.564 31.823 -0.452 0.000 0.645 216 V HN 0.918 nan 8.190 nan 0.000 0.447 217 K N -0.624 119.634 120.400 -0.236 0.000 2.283 217 K HA -0.148 4.172 4.320 -0.000 0.000 0.202 217 K C 1.831 178.418 176.600 -0.021 0.000 1.048 217 K CA 1.125 57.365 56.287 -0.079 0.000 0.948 217 K CB -0.192 32.275 32.500 -0.054 0.000 0.742 217 K HN 0.469 nan 8.250 nan 0.000 0.458 218 D N 0.342 120.702 120.400 -0.067 0.000 2.162 218 D HA -0.054 4.586 4.640 -0.000 0.000 0.203 218 D C 1.625 178.052 176.300 0.211 0.000 0.967 218 D CA 0.696 54.725 54.000 0.048 0.000 0.840 218 D CB -0.070 40.744 40.800 0.024 0.000 0.972 218 D HN 0.109 nan 8.370 nan 0.000 0.482 219 F N 1.361 121.345 119.950 0.057 0.000 2.025 219 F HA -0.323 4.204 4.527 -0.000 0.000 0.297 219 F C 2.673 178.607 175.800 0.223 0.000 1.171 219 F CA 1.228 59.276 58.000 0.079 0.000 1.204 219 F CB -0.919 38.130 39.000 0.081 0.000 0.948 219 F HN -0.040 nan 8.300 nan 0.000 0.512 220 T N 0.468 115.307 114.554 0.474 0.000 2.567 220 T HA -0.347 4.003 4.350 -0.000 0.000 0.261 220 T C 1.900 176.754 174.700 0.256 0.000 1.123 220 T CA 2.534 64.821 62.100 0.310 0.000 1.166 220 T CB -1.022 67.973 68.868 0.211 0.000 0.860 220 T HN 0.423 nan 8.240 nan 0.000 0.436 221 S N 1.663 117.486 115.700 0.205 0.000 2.407 221 S HA -0.072 4.398 4.470 -0.000 0.000 0.235 221 S C 1.735 176.484 174.600 0.248 0.000 1.036 221 S CA 1.005 59.310 58.200 0.175 0.000 1.013 221 S CB -0.627 62.647 63.200 0.125 0.000 0.820 221 S HN 0.435 nan 8.310 nan 0.000 0.476 222 L N 1.236 122.676 121.223 0.361 0.000 2.653 222 L HA 0.258 4.598 4.340 -0.000 0.000 0.232 222 L C 1.515 178.746 176.870 0.602 0.000 1.169 222 L CA 0.363 55.542 54.840 0.565 0.000 0.951 222 L CB -0.637 41.802 42.059 0.633 0.000 1.181 222 L HN 0.639 nan 8.230 nan 0.000 0.460 223 G N -0.550 108.457 108.800 0.344 0.000 2.147 223 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.244 223 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.244 223 G C 0.062 174.886 174.900 -0.126 0.000 1.005 223 G CA 0.068 45.217 45.100 0.080 0.000 0.713 223 G HN 0.236 nan 8.290 nan 0.000 0.515 224 F N -0.051 119.918 119.950 0.030 0.000 2.511 224 F HA 0.730 5.257 4.527 -0.000 0.000 0.340 224 F C 0.836 176.665 175.800 0.049 0.000 1.094 224 F CA -0.740 57.238 58.000 -0.036 0.000 1.119 224 F CB 0.876 39.781 39.000 -0.158 0.000 1.775 224 F HN 0.126 nan 8.300 nan 0.000 0.536 225 N N -0.574 118.287 118.700 0.269 0.000 2.648 225 N HA 0.075 4.815 4.740 -0.000 0.000 0.272 225 N C 0.004 175.676 175.510 0.271 0.000 1.118 225 N CA -0.172 53.040 53.050 0.269 0.000 0.973 225 N CB 1.041 39.682 38.487 0.256 0.000 1.565 225 N HN 0.617 nan 8.380 nan 0.000 0.542 226 E N 1.923 122.329 120.200 0.343 0.000 2.253 226 E HA -0.208 4.142 4.350 -0.000 0.000 0.202 226 E C 0.399 177.111 176.600 0.186 0.000 1.014 226 E CA 1.779 58.373 56.400 0.324 0.000 0.823 226 E CB 0.257 30.107 29.700 0.249 0.000 0.736 226 E HN 0.500 nan 8.360 nan 0.000 0.478 227 V N -1.003 118.979 119.914 0.114 0.000 2.922 227 V HA -0.007 4.113 4.120 -0.000 0.000 0.242 227 V C 1.295 177.233 176.094 -0.261 0.000 1.094 227 V CA 0.813 63.020 62.300 -0.154 0.000 1.106 227 V CB -0.133 31.374 31.823 -0.527 0.000 0.799 227 V HN 0.204 nan 8.190 nan 0.000 0.474 228 F N 0.849 120.918 119.950 0.198 0.000 2.717 228 F HA 0.282 4.809 4.527 -0.000 0.000 0.297 228 F C 0.980 176.884 175.800 0.173 0.000 1.113 228 F CA 0.587 58.644 58.000 0.096 0.000 1.319 228 F CB 0.486 39.488 39.000 0.004 0.000 1.097 228 F HN 0.196 nan 8.300 nan 0.000 0.595 229 S N 0.363 116.356 115.700 0.490 0.000 2.548 229 S HA 0.379 4.849 4.470 -0.000 0.000 0.168 229 S C -0.786 173.985 174.600 0.286 0.000 1.068 229 S CA -0.910 57.563 58.200 0.456 0.000 1.129 229 S CB -0.014 63.287 63.200 0.168 0.000 1.435 229 S HN 0.133 nan 8.310 nan 0.000 0.410 230 R N 2.293 122.806 120.500 0.020 0.000 2.234 230 R HA 0.334 4.674 4.340 -0.000 0.000 0.324 230 R C -2.061 173.840 176.300 -0.665 0.000 1.054 230 R CA -1.989 53.601 56.100 -0.849 0.000 0.912 230 R CB 0.120 29.608 30.300 -1.353 0.000 1.030 230 R HN 0.228 nan 8.270 nan 0.000 0.455 231 P HA -0.375 nan 4.420 nan 0.000 0.226 231 P C 1.037 177.972 177.300 -0.607 0.000 1.154 231 P CA 1.821 64.376 63.100 -0.909 0.000 0.918 231 P CB 0.066 31.113 31.700 -1.088 0.000 0.790 232 E N -1.652 118.243 120.200 -0.508 0.000 2.187 232 E HA -0.242 4.108 4.350 -0.000 0.000 0.199 232 E C 1.556 178.075 176.600 -0.135 0.000 1.004 232 E CA 1.285 57.503 56.400 -0.304 0.000 0.813 232 E CB -1.214 28.305 29.700 -0.303 0.000 0.736 232 E HN 0.363 nan 8.360 nan 0.000 0.468 233 W N 0.820 122.051 121.300 -0.114 0.000 2.519 233 W HA 0.152 4.812 4.660 -0.000 0.000 0.266 233 W C 2.058 178.598 176.519 0.036 0.000 1.253 233 W CA 0.269 57.604 57.345 -0.016 0.000 1.274 233 W CB -0.460 28.997 29.460 -0.005 0.000 1.114 233 W HN 0.134 nan 8.180 nan 0.000 0.596 234 M N -0.260 119.441 119.600 0.169 0.000 2.623 234 M HA -0.086 4.394 4.480 -0.000 0.000 0.258 234 M C 0.355 176.842 176.300 0.312 0.000 1.067 234 M CA 1.217 56.669 55.300 0.253 0.000 1.068 234 M CB -0.448 32.158 32.600 0.010 0.000 1.409 234 M HN -0.300 nan 8.290 nan 0.000 0.504 235 I N 1.074 121.787 120.570 0.239 0.000 2.378 235 I HA 0.270 4.439 4.170 -0.000 0.000 0.291 235 I C -0.487 175.773 176.117 0.238 0.000 0.992 235 I CA -0.695 60.760 61.300 0.257 0.000 1.154 235 I CB 1.673 39.799 38.000 0.209 0.000 1.315 235 I HN 0.007 nan 8.210 nan 0.000 0.448 236 L N 6.217 127.567 121.223 0.212 0.000 2.319 236 L HA 0.349 4.689 4.340 -0.000 0.000 0.280 236 L C 0.673 177.617 176.870 0.122 0.000 1.099 236 L CA 0.049 54.994 54.840 0.174 0.000 0.828 236 L CB 0.876 43.026 42.059 0.152 0.000 1.150 236 L HN 0.678 nan 8.230 nan 0.000 0.442 237 T N -0.001 114.631 114.554 0.129 0.000 3.028 237 T HA 0.050 4.400 4.350 -0.000 0.000 0.250 237 T C -0.040 174.714 174.700 0.090 0.000 0.979 237 T CA 0.101 62.261 62.100 0.101 0.000 1.004 237 T CB 0.468 69.407 68.868 0.120 0.000 1.120 237 T HN 0.622 nan 8.240 nan 0.000 0.482 238 C N 2.734 122.098 119.300 0.106 0.000 2.340 238 C HA 0.773 5.233 4.460 -0.000 0.000 0.323 238 C C -1.094 173.946 174.990 0.084 0.000 1.260 238 C CA -1.164 57.916 59.018 0.103 0.000 1.464 238 C CB -0.471 27.348 27.740 0.133 0.000 2.156 238 C HN 0.382 nan 8.230 nan 0.000 0.476 239 L N 9.523 130.783 121.223 0.061 0.000 2.259 239 L HA 0.487 4.827 4.340 -0.000 0.000 0.288 239 L C -1.838 175.075 176.870 0.072 0.000 1.051 239 L CA -1.793 53.079 54.840 0.053 0.000 0.824 239 L CB 1.177 43.239 42.059 0.005 0.000 1.206 239 L HN 0.546 nan 8.230 nan 0.000 0.429 240 P HA 0.002 nan 4.420 nan 0.000 0.266 240 P C -0.673 176.777 177.300 0.249 0.000 1.215 240 P CA -0.012 63.164 63.100 0.127 0.000 0.763 240 P CB 0.807 32.464 31.700 -0.071 0.000 0.806 241 V N 7.191 127.238 119.914 0.221 0.000 2.320 241 V HA 0.171 4.291 4.120 -0.000 0.000 0.265 241 V C -1.552 174.457 176.094 -0.141 0.000 1.048 241 V CA -1.922 60.421 62.300 0.072 0.000 0.865 241 V CB 0.671 32.503 31.823 0.015 0.000 1.043 241 V HN 0.549 nan 8.190 nan 0.000 0.474 242 P HA 0.127 nan 4.420 nan 0.000 0.265 242 P C -2.561 174.444 177.300 -0.492 0.000 1.193 242 P CA -0.903 61.765 63.100 -0.720 0.000 0.765 242 P CB 0.353 31.908 31.700 -0.242 0.000 0.823 243 P HA 0.178 nan 4.420 nan 0.000 0.276 243 P C -2.033 175.145 177.300 -0.202 0.000 1.244 243 P CA -1.825 61.090 63.100 -0.307 0.000 0.801 243 P CB -0.305 31.216 31.700 -0.299 0.000 1.006 244 P HA -0.232 nan 4.420 nan 0.000 0.224 244 P C -1.236 176.009 177.300 -0.092 0.000 1.130 244 P CA 3.056 66.102 63.100 -0.090 0.000 0.976 244 P CB -2.069 29.589 31.700 -0.071 0.000 0.781 245 P HA -0.126 nan 4.420 nan 0.000 0.221 245 P C 1.247 178.501 177.300 -0.077 0.000 1.141 245 P CA 1.170 64.219 63.100 -0.084 0.000 0.794 245 P CB -0.370 31.277 31.700 -0.088 0.000 0.764 246 V N -0.415 119.443 119.914 -0.092 0.000 2.725 246 V HA -0.048 4.072 4.120 -0.000 0.000 0.247 246 V C 1.572 177.631 176.094 -0.058 0.000 1.058 246 V CA 1.280 63.537 62.300 -0.071 0.000 1.080 246 V CB -0.704 31.067 31.823 -0.086 0.000 0.713 246 V HN 0.219 nan 8.190 nan 0.000 0.465 247 R N 1.072 121.534 120.500 -0.063 0.000 2.795 247 R HA 0.312 4.652 4.340 -0.000 0.000 0.320 247 R C -2.909 173.354 176.300 -0.061 0.000 1.223 247 R CA -1.407 54.662 56.100 -0.052 0.000 1.305 247 R CB -0.114 30.171 30.300 -0.026 0.000 1.318 247 R HN 0.255 nan 8.270 nan 0.000 0.636 248 P HA -0.098 nan 4.420 nan 0.000 0.266 248 P C 0.409 177.661 177.300 -0.081 0.000 1.193 248 P CA 0.513 63.569 63.100 -0.072 0.000 0.770 248 P CB 1.285 32.942 31.700 -0.072 0.000 0.836 249 S N 3.610 119.260 115.700 -0.085 0.000 2.118 249 S HA 0.328 4.798 4.470 -0.000 0.000 0.175 249 S C 0.673 175.187 174.600 -0.144 0.000 1.365 249 S CA -0.103 58.038 58.200 -0.099 0.000 1.837 249 S CB -0.183 62.967 63.200 -0.084 0.000 0.537 249 S HN 0.569 nan 8.310 nan 0.000 0.374 250 I N 0.976 121.415 120.570 -0.219 0.000 2.655 250 I HA 0.000 4.170 4.170 -0.000 0.000 0.258 250 I C -0.682 175.025 176.117 -0.684 0.000 1.462 250 I CA -0.215 60.874 61.300 -0.352 0.000 1.412 250 I CB 0.544 38.374 38.000 -0.283 0.000 1.753 250 I HN 0.765 nan 8.210 nan 0.000 0.378 251 S N 4.224 119.602 115.700 -0.536 0.000 2.601 251 S HA 0.655 5.125 4.470 -0.000 0.000 0.271 251 S C -0.413 173.754 174.600 -0.721 0.000 1.305 251 S CA -0.173 57.691 58.200 -0.560 0.000 1.022 251 S CB 0.931 63.999 63.200 -0.221 0.000 0.940 251 S HN 0.346 nan 8.310 nan 0.000 0.525 252 F N 2.403 122.349 119.950 -0.006 0.000 2.530 252 F HA 0.468 4.995 4.527 -0.000 0.000 0.318 252 F C 1.027 176.824 175.800 -0.005 0.000 1.356 252 F CA -0.764 57.232 58.000 -0.006 0.000 1.135 252 F CB -0.687 38.311 39.000 -0.004 0.000 1.315 252 F HN 0.832 nan 8.300 nan 0.000 0.549 253 N N 0.936 119.678 118.700 0.070 0.000 3.524 253 N HA -0.229 4.510 4.740 -0.000 0.000 0.225 253 N C -0.046 175.486 175.510 0.036 0.000 0.435 253 N CA 1.789 54.867 53.050 0.046 0.000 2.223 253 N CB -0.563 37.962 38.487 0.062 0.000 1.577 253 N HN 0.526 nan 8.380 nan 0.000 0.345 254 E N -0.680 119.554 120.200 0.057 0.000 2.433 254 E HA 0.415 4.765 4.350 -0.000 0.000 0.264 254 E C -0.463 176.176 176.600 0.066 0.000 0.960 254 E CA 0.068 56.495 56.400 0.046 0.000 0.866 254 E CB 1.373 31.089 29.700 0.027 0.000 1.615 254 E HN 0.611 nan 8.360 nan 0.000 0.442 255 S N -0.114 115.616 115.700 0.051 0.000 3.427 255 S HA -0.309 4.161 4.470 -0.000 0.000 0.373 255 S C 0.003 174.648 174.600 0.075 0.000 0.973 255 S CA 1.402 59.633 58.200 0.052 0.000 1.218 255 S CB -1.416 61.806 63.200 0.037 0.000 0.912 255 S HN 0.491 nan 8.310 nan 0.000 0.483 256 Q N -0.232 119.636 119.800 0.114 0.000 2.965 256 Q HA 0.642 4.982 4.340 -0.000 0.000 0.379 256 Q C 0.619 176.740 176.000 0.201 0.000 0.727 256 Q CA -1.326 54.581 55.803 0.173 0.000 0.883 256 Q CB 1.102 30.017 28.738 0.294 0.000 1.233 256 Q HN 0.379 nan 8.270 nan 0.000 0.464 257 R N -1.459 119.238 120.500 0.329 0.000 2.841 257 R HA 0.638 4.978 4.340 -0.000 0.000 0.098 257 R C -0.223 176.244 176.300 0.279 0.000 0.781 257 R CA -0.120 56.136 56.100 0.260 0.000 0.587 257 R CB 0.249 30.684 30.300 0.225 0.000 0.551 257 R HN 0.809 nan 8.270 nan 0.000 0.341 258 G N 1.192 110.164 108.800 0.288 0.000 2.151 258 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.140 258 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.140 258 G C -0.322 174.575 174.900 -0.006 0.000 1.020 258 G CA -0.459 44.730 45.100 0.147 0.000 0.688 258 G HN 0.199 nan 8.290 nan 0.000 0.500 259 E N 1.071 121.274 120.200 0.005 0.000 2.436 259 E HA 0.199 4.549 4.350 -0.000 0.000 0.262 259 E C 0.156 176.592 176.600 -0.273 0.000 1.063 259 E CA -0.064 56.290 56.400 -0.076 0.000 0.944 259 E CB 0.852 30.608 29.700 0.093 0.000 0.950 259 E HN 0.434 nan 8.360 nan 0.000 0.444 260 D N 1.017 121.282 120.400 -0.226 0.000 2.283 260 D HA -0.000 4.640 4.640 -0.000 0.000 0.248 260 D C 0.356 176.465 176.300 -0.319 0.000 1.072 260 D CA -0.452 53.406 54.000 -0.237 0.000 0.929 260 D CB 1.039 41.766 40.800 -0.122 0.000 1.182 260 D HN 0.128 nan 8.370 nan 0.000 0.433 261 D N 1.586 121.833 120.400 -0.255 0.000 2.126 261 D HA -0.172 4.468 4.640 -0.000 0.000 0.190 261 D C 1.910 178.193 176.300 -0.028 0.000 1.001 261 D CA 1.227 55.119 54.000 -0.179 0.000 0.841 261 D CB -0.002 40.740 40.800 -0.095 0.000 0.949 261 D HN 0.404 nan 8.370 nan 0.000 0.446 262 L N 0.133 121.362 121.223 0.011 0.000 2.191 262 L HA -0.124 4.216 4.340 -0.000 0.000 0.212 262 L C 2.208 179.156 176.870 0.131 0.000 1.103 262 L CA 1.085 56.000 54.840 0.125 0.000 0.769 262 L CB -0.582 41.554 42.059 0.128 0.000 0.908 262 L HN 0.081 nan 8.230 nan 0.000 0.438 263 T N -0.649 113.951 114.554 0.077 0.000 2.962 263 T HA -0.112 4.238 4.350 -0.000 0.000 0.270 263 T C 1.642 176.512 174.700 0.284 0.000 1.088 263 T CA 1.138 63.312 62.100 0.123 0.000 1.127 263 T CB -0.170 68.753 68.868 0.091 0.000 0.883 263 T HN 0.246 nan 8.240 nan 0.000 0.493 264 F N 0.818 120.770 119.950 0.002 0.000 2.219 264 F HA 0.063 4.590 4.527 -0.000 0.000 0.294 264 F C 2.404 178.187 175.800 -0.028 0.000 1.086 264 F CA 0.237 58.232 58.000 -0.008 0.000 1.330 264 F CB 0.107 39.103 39.000 -0.006 0.000 1.047 264 F HN -0.051 nan 8.300 nan 0.000 0.495 265 K N 0.816 121.321 120.400 0.176 0.000 2.209 265 K HA -0.110 4.210 4.320 -0.000 0.000 0.204 265 K C 1.787 178.348 176.600 -0.064 0.000 1.048 265 K CA 0.878 57.188 56.287 0.039 0.000 0.940 265 K CB -0.485 32.081 32.500 0.110 0.000 0.729 265 K HN 0.240 nan 8.250 nan 0.000 0.451 266 L N -0.501 120.673 121.223 -0.081 0.000 2.005 266 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 266 L C 2.341 179.172 176.870 -0.067 0.000 1.072 266 L CA 1.331 56.066 54.840 -0.174 0.000 0.744 266 L CB -0.764 41.213 42.059 -0.138 0.000 0.895 266 L HN 0.157 nan 8.230 nan 0.000 0.433 267 A N 0.010 122.826 122.820 -0.008 0.000 1.986 267 A HA -0.270 4.050 4.320 -0.000 0.000 0.220 267 A C 1.840 179.420 177.584 -0.006 0.000 1.171 267 A CA 2.283 54.312 52.037 -0.013 0.000 0.640 267 A CB -0.570 18.411 19.000 -0.032 0.000 0.811 267 A HN 0.396 nan 8.150 nan 0.000 0.451 268 D N -0.128 120.286 120.400 0.024 0.000 2.091 268 D HA -0.066 4.574 4.640 -0.000 0.000 0.199 268 D C 1.900 178.341 176.300 0.234 0.000 0.980 268 D CA 1.149 55.235 54.000 0.143 0.000 0.831 268 D CB -0.370 40.476 40.800 0.077 0.000 0.987 268 D HN 0.502 nan 8.370 nan 0.000 0.460 269 I N 0.466 121.132 120.570 0.160 0.000 2.163 269 I HA -0.251 3.919 4.170 -0.000 0.000 0.243 269 I C 2.324 178.435 176.117 -0.010 0.000 1.085 269 I CA 0.580 61.920 61.300 0.066 0.000 1.347 269 I CB -0.222 37.741 38.000 -0.061 0.000 1.044 269 I HN 0.044 nan 8.210 nan 0.000 0.408 270 L N 1.109 122.314 121.223 -0.030 0.000 2.012 270 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 270 L C 2.418 179.262 176.870 -0.042 0.000 1.073 270 L CA 1.931 56.745 54.840 -0.044 0.000 0.748 270 L CB -0.720 41.317 42.059 -0.038 0.000 0.891 270 L HN 0.107 nan 8.230 nan 0.000 0.431 271 K N -0.632 119.753 120.400 -0.026 0.000 1.973 271 K HA -0.115 4.205 4.320 -0.000 0.000 0.212 271 K C 2.051 178.622 176.600 -0.048 0.000 1.047 271 K CA 1.528 57.792 56.287 -0.038 0.000 0.937 271 K CB -0.648 31.840 32.500 -0.019 0.000 0.721 271 K HN 0.417 nan 8.250 nan 0.000 0.440 272 A N 1.495 124.285 122.820 -0.049 0.000 2.093 272 A HA -0.283 4.037 4.320 -0.000 0.000 0.222 272 A C 1.864 179.400 177.584 -0.080 0.000 1.162 272 A CA 2.233 54.211 52.037 -0.099 0.000 0.655 272 A CB -0.724 18.145 19.000 -0.218 0.000 0.805 272 A HN 0.368 nan 8.150 nan 0.000 0.461 273 N N -0.380 118.281 118.700 -0.065 0.000 2.197 273 N HA 0.029 4.769 4.740 -0.000 0.000 0.184 273 N C 1.533 177.006 175.510 -0.062 0.000 1.030 273 N CA 1.246 54.261 53.050 -0.059 0.000 0.851 273 N CB -0.268 38.184 38.487 -0.057 0.000 1.003 273 N HN 0.436 nan 8.380 nan 0.000 0.430 274 I N 0.064 120.592 120.570 -0.071 0.000 2.145 274 I HA -0.351 3.819 4.170 -0.000 0.000 0.244 274 I C 2.405 178.479 176.117 -0.073 0.000 1.075 274 I CA 1.378 62.628 61.300 -0.084 0.000 1.332 274 I CB -0.702 37.235 38.000 -0.105 0.000 1.033 274 I HN 0.263 nan 8.210 nan 0.000 0.410 275 S N 1.312 116.972 115.700 -0.066 0.000 2.365 275 S HA -0.268 4.202 4.470 -0.000 0.000 0.221 275 S C 2.108 176.680 174.600 -0.046 0.000 1.037 275 S CA 2.006 60.172 58.200 -0.056 0.000 1.060 275 S CB -0.601 62.566 63.200 -0.055 0.000 0.974 275 S HN 0.358 nan 8.310 nan 0.000 0.427 276 L N 2.218 123.414 121.223 -0.045 0.000 2.051 276 L HA -0.131 4.209 4.340 -0.000 0.000 0.214 276 L C 2.558 179.414 176.870 -0.025 0.000 1.076 276 L CA 2.726 57.545 54.840 -0.034 0.000 0.758 276 L CB -0.909 41.130 42.059 -0.033 0.000 0.890 276 L HN 0.554 nan 8.230 nan 0.000 0.433 277 E N -1.263 118.920 120.200 -0.029 0.000 2.150 277 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 277 E C 1.313 177.911 176.600 -0.004 0.000 0.985 277 E CA 1.501 57.890 56.400 -0.018 0.000 0.814 277 E CB -0.035 29.645 29.700 -0.034 0.000 0.752 277 E HN 0.579 nan 8.360 nan 0.000 0.466 278 T N 1.046 115.586 114.554 -0.022 0.000 3.252 278 T HA 0.146 4.496 4.350 -0.000 0.000 0.250 278 T C 1.423 176.130 174.700 0.012 0.000 1.123 278 T CA 0.088 62.185 62.100 -0.005 0.000 1.006 278 T CB 0.127 68.972 68.868 -0.039 0.000 0.992 278 T HN 0.151 nan 8.240 nan 0.000 0.547 279 L N -0.438 120.785 121.223 -0.000 0.000 2.642 279 L HA 0.307 4.647 4.340 -0.000 0.000 0.233 279 L C 2.211 179.067 176.870 -0.024 0.000 1.077 279 L CA 0.433 55.262 54.840 -0.019 0.000 0.879 279 L CB 0.112 42.153 42.059 -0.030 0.000 1.151 279 L HN 0.207 nan 8.230 nan 0.000 0.495 280 E N -0.649 119.552 120.200 0.002 0.000 2.250 280 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 280 E C 1.629 178.241 176.600 0.020 0.000 0.986 280 E CA 0.412 56.812 56.400 0.000 0.000 0.849 280 E CB 0.229 29.938 29.700 0.015 0.000 0.797 280 E HN 0.355 nan 8.360 nan 0.000 0.482 281 H N 0.405 119.448 119.070 -0.044 0.000 2.539 281 H HA 0.219 4.774 4.556 -0.000 0.000 0.269 281 H C 0.127 175.428 175.328 -0.045 0.000 0.980 281 H CA 0.394 56.419 56.048 -0.039 0.000 1.152 281 H CB 0.394 30.135 29.762 -0.034 0.000 1.407 281 H HN 0.089 nan 8.280 nan 0.000 0.564 282 N N -1.481 117.216 118.700 -0.005 0.000 3.294 282 N HA 0.270 5.010 4.740 -0.000 0.000 0.355 282 N C -0.225 175.234 175.510 -0.085 0.000 1.497 282 N CA -0.638 52.389 53.050 -0.039 0.000 0.707 282 N CB 0.791 39.295 38.487 0.029 0.000 1.732 282 N HN 0.091 nan 8.380 nan 0.000 0.640 283 G N 0.089 108.845 108.800 -0.075 0.000 2.298 283 G HA2 0.267 4.227 3.960 -0.000 0.000 0.284 283 G HA3 0.267 4.227 3.960 -0.000 0.000 0.284 283 G C -0.285 174.542 174.900 -0.121 0.000 1.013 283 G CA -0.020 45.022 45.100 -0.096 0.000 1.365 283 G HN 0.516 nan 8.290 nan 0.000 0.415 284 A N 6.068 128.776 122.820 -0.186 0.000 2.798 284 A HA 0.525 4.845 4.320 -0.000 0.000 0.316 284 A C -1.455 175.923 177.584 -0.343 0.000 1.506 284 A CA -1.458 50.439 52.037 -0.234 0.000 1.162 284 A CB 0.381 19.229 19.000 -0.254 0.000 1.138 284 A HN 0.514 nan 8.150 nan 0.000 0.532 285 P HA -0.048 nan 4.420 nan 0.000 0.244 285 P C 0.706 177.922 177.300 -0.141 0.000 1.723 285 P CA 0.187 63.189 63.100 -0.163 0.000 1.110 285 P CB -0.459 31.200 31.700 -0.069 0.000 1.972 286 H N 0.770 119.745 119.070 -0.158 0.000 1.525 286 H HA -0.239 4.317 4.556 -0.000 0.000 0.106 286 H C 0.324 175.375 175.328 -0.462 0.000 1.248 286 H CA 1.980 57.821 56.048 -0.346 0.000 1.864 286 H CB -1.107 28.403 29.762 -0.420 0.000 2.219 286 H HN 0.621 nan 8.280 nan 0.000 0.942 287 H N -0.992 118.152 119.070 0.122 0.000 2.317 287 H HA 0.608 5.163 4.556 -0.000 0.000 0.231 287 H C 0.473 175.820 175.328 0.033 0.000 1.442 287 H CA 0.568 56.653 56.048 0.063 0.000 1.336 287 H CB 0.648 30.444 29.762 0.056 0.000 1.533 287 H HN 0.502 nan 8.280 nan 0.000 0.522 288 A N 0.589 123.466 122.820 0.096 0.000 2.726 288 A HA 0.165 4.485 4.320 -0.000 0.000 0.192 288 A C 1.433 179.030 177.584 0.023 0.000 1.412 288 A CA -0.142 51.922 52.037 0.046 0.000 1.073 288 A CB 0.060 19.071 19.000 0.018 0.000 1.331 288 A HN 0.401 nan 8.150 nan 0.000 0.537 289 I N 0.724 121.310 120.570 0.027 0.000 2.429 289 I HA -0.108 4.062 4.170 -0.000 0.000 0.247 289 I C 2.223 178.362 176.117 0.036 0.000 1.099 289 I CA 1.690 62.995 61.300 0.009 0.000 1.422 289 I CB 0.182 38.174 38.000 -0.013 0.000 1.112 289 I HN 0.542 nan 8.210 nan 0.000 0.430 290 E N 0.567 120.822 120.200 0.091 0.000 2.409 290 E HA -0.190 4.160 4.350 -0.000 0.000 0.198 290 E C 1.512 178.142 176.600 0.051 0.000 1.024 290 E CA 0.780 57.233 56.400 0.089 0.000 0.861 290 E CB -0.359 29.437 29.700 0.161 0.000 0.788 290 E HN 0.496 nan 8.360 nan 0.000 0.521 291 E N 0.406 120.633 120.200 0.044 0.000 2.285 291 E HA 0.018 4.368 4.350 -0.000 0.000 0.194 291 E C 1.603 178.201 176.600 -0.003 0.000 0.997 291 E CA 0.810 57.222 56.400 0.019 0.000 0.845 291 E CB 0.096 29.808 29.700 0.020 0.000 0.782 291 E HN 0.450 nan 8.360 nan 0.000 0.491 292 A N 0.663 123.480 122.820 -0.005 0.000 2.343 292 A HA 0.033 4.353 4.320 -0.000 0.000 0.223 292 A C 1.785 179.352 177.584 -0.029 0.000 1.214 292 A CA -0.079 51.942 52.037 -0.026 0.000 0.900 292 A CB 0.187 19.170 19.000 -0.029 0.000 0.942 292 A HN 0.105 nan 8.150 nan 0.000 0.507 293 E N 0.969 121.162 120.200 -0.011 0.000 2.005 293 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 293 E C 2.140 178.731 176.600 -0.014 0.000 0.987 293 E CA 1.539 57.931 56.400 -0.013 0.000 0.814 293 E CB -0.092 29.609 29.700 0.001 0.000 0.772 293 E HN 0.614 nan 8.360 nan 0.000 0.453 294 S N 1.159 116.859 115.700 -0.001 0.000 2.428 294 S HA -0.264 4.206 4.470 -0.000 0.000 0.240 294 S C 1.994 176.612 174.600 0.030 0.000 1.036 294 S CA 1.396 59.607 58.200 0.018 0.000 1.009 294 S CB -0.622 62.589 63.200 0.019 0.000 0.803 294 S HN 0.359 nan 8.310 nan 0.000 0.486 295 L N 0.801 122.013 121.223 -0.017 0.000 2.017 295 L HA 0.083 4.423 4.340 -0.000 0.000 0.208 295 L C 2.275 179.108 176.870 -0.061 0.000 1.073 295 L CA 1.566 56.374 54.840 -0.054 0.000 0.745 295 L CB -0.827 41.154 42.059 -0.130 0.000 0.894 295 L HN 0.338 nan 8.230 nan 0.000 0.432 296 L N -0.167 121.011 121.223 -0.075 0.000 2.042 296 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 296 L C 2.618 179.503 176.870 0.026 0.000 1.076 296 L CA 2.231 57.037 54.840 -0.057 0.000 0.749 296 L CB -0.944 41.087 42.059 -0.047 0.000 0.893 296 L HN 0.604 nan 8.230 nan 0.000 0.432 297 Q N -1.368 118.459 119.800 0.046 0.000 2.234 297 Q HA -0.281 4.059 4.340 -0.000 0.000 0.206 297 Q C 1.991 178.087 176.000 0.161 0.000 0.980 297 Q CA 2.110 57.959 55.803 0.076 0.000 0.869 297 Q CB -0.586 28.191 28.738 0.064 0.000 0.912 297 Q HN 0.538 nan 8.270 nan 0.000 0.436 298 F N -0.295 119.684 119.950 0.049 0.000 2.118 298 F HA -0.046 4.481 4.527 -0.000 0.000 0.293 298 F C 1.924 177.856 175.800 0.221 0.000 1.102 298 F CA 2.005 60.078 58.000 0.121 0.000 1.247 298 F CB -0.495 38.583 39.000 0.130 0.000 1.017 298 F HN 0.227 nan 8.300 nan 0.000 0.475 299 H N -1.126 117.929 119.070 -0.024 0.000 2.270 299 H HA -0.129 4.427 4.556 -0.000 0.000 0.299 299 H C 2.294 177.562 175.328 -0.100 0.000 1.077 299 H CA 1.440 57.405 56.048 -0.138 0.000 1.294 299 H CB -0.523 29.230 29.762 -0.015 0.000 1.371 299 H HN 0.097 nan 8.280 nan 0.000 0.491 300 V N 1.039 121.008 119.914 0.091 0.000 2.794 300 V HA -0.280 3.840 4.120 -0.000 0.000 0.260 300 V C 2.355 178.470 176.094 0.036 0.000 1.103 300 V CA 1.535 63.865 62.300 0.051 0.000 1.125 300 V CB -0.727 31.111 31.823 0.025 0.000 0.702 300 V HN 0.512 nan 8.190 nan 0.000 0.494 301 A N -1.537 121.276 122.820 -0.011 0.000 1.924 301 A HA -0.073 4.247 4.320 -0.000 0.000 0.211 301 A C 2.343 179.860 177.584 -0.113 0.000 1.198 301 A CA 1.457 53.460 52.037 -0.057 0.000 0.657 301 A CB -0.581 18.417 19.000 -0.004 0.000 0.852 301 A HN 0.375 nan 8.150 nan 0.000 0.454 302 T N -1.480 112.941 114.554 -0.221 0.000 2.867 302 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 302 T C 1.694 176.323 174.700 -0.118 0.000 1.057 302 T CA 1.734 63.662 62.100 -0.287 0.000 1.136 302 T CB -0.429 68.041 68.868 -0.664 0.000 0.874 302 T HN 0.547 nan 8.240 nan 0.000 0.466 303 Y N 1.146 121.338 120.300 -0.180 0.000 2.181 303 Y HA -0.081 4.469 4.550 -0.000 0.000 0.288 303 Y C 2.065 177.912 175.900 -0.089 0.000 1.146 303 Y CA 1.558 59.589 58.100 -0.115 0.000 1.164 303 Y CB -0.313 38.099 38.460 -0.079 0.000 0.982 303 Y HN 0.210 nan 8.280 nan 0.000 0.515 304 M N -0.801 118.696 119.600 -0.172 0.000 2.216 304 M HA -0.017 4.463 4.480 -0.000 0.000 0.264 304 M C 0.075 176.295 176.300 -0.134 0.000 1.080 304 M CA 1.269 56.415 55.300 -0.257 0.000 1.153 304 M CB 0.042 32.480 32.600 -0.269 0.000 1.356 304 M HN 0.119 nan 8.290 nan 0.000 0.432 305 D N -0.487 119.853 120.400 -0.100 0.000 2.738 305 D HA 0.179 4.819 4.640 -0.000 0.000 0.237 305 D C -1.078 175.180 176.300 -0.070 0.000 1.123 305 D CA -0.091 53.876 54.000 -0.055 0.000 0.856 305 D CB 1.619 42.415 40.800 -0.006 0.000 1.552 305 D HN -0.076 nan 8.370 nan 0.000 0.480 306 N N 1.960 120.628 118.700 -0.053 0.000 2.143 306 N HA 0.069 4.809 4.740 -0.000 0.000 0.229 306 N C -0.965 174.538 175.510 -0.013 0.000 1.294 306 N CA -0.084 52.936 53.050 -0.050 0.000 0.883 306 N CB 0.582 39.034 38.487 -0.059 0.000 1.148 306 N HN 0.250 nan 8.380 nan 0.000 0.511 307 D N 0.495 120.891 120.400 -0.006 0.000 2.755 307 D HA 0.273 4.913 4.640 -0.000 0.000 0.257 307 D C 0.734 177.044 176.300 0.017 0.000 1.291 307 D CA -0.188 53.815 54.000 0.005 0.000 0.836 307 D CB 0.521 41.318 40.800 -0.006 0.000 1.059 307 D HN 0.342 nan 8.370 nan 0.000 0.486 308 I N 0.164 120.752 120.570 0.030 0.000 3.437 308 I HA 0.109 4.278 4.170 -0.000 0.000 0.274 308 I C 1.827 177.972 176.117 0.047 0.000 1.215 308 I CA -0.438 60.887 61.300 0.042 0.000 1.215 308 I CB 0.569 38.605 38.000 0.060 0.000 1.441 308 I HN -0.046 nan 8.210 nan 0.000 0.677 309 A N 1.906 124.755 122.820 0.049 0.000 1.975 309 A HA 0.118 4.438 4.320 -0.000 0.000 0.215 309 A C 1.628 179.245 177.584 0.054 0.000 1.170 309 A CA 0.926 52.990 52.037 0.045 0.000 0.656 309 A CB -0.836 18.187 19.000 0.039 0.000 0.821 309 A HN 0.884 nan 8.150 nan 0.000 0.449 310 G N -0.185 108.657 108.800 0.071 0.000 3.101 310 G HA2 0.344 4.304 3.960 -0.000 0.000 0.272 310 G HA3 0.344 4.304 3.960 -0.000 0.000 0.272 310 G C 0.532 175.487 174.900 0.093 0.000 0.801 310 G CA 0.138 45.286 45.100 0.079 0.000 1.978 310 G HN 0.564 nan 8.290 nan 0.000 0.591 311 Q N 0.639 120.482 119.800 0.071 0.000 2.593 311 Q HA -0.265 4.075 4.340 -0.000 0.000 0.238 311 Q C -0.996 175.064 176.000 0.100 0.000 1.101 311 Q CA 2.142 57.987 55.803 0.071 0.000 1.014 311 Q CB -1.707 27.061 28.738 0.049 0.000 0.951 311 Q HN 0.448 nan 8.270 nan 0.000 0.568 312 P HA -0.201 nan 4.420 nan 0.000 0.056 312 P C -0.330 177.107 177.300 0.229 0.000 0.542 312 P CA 0.927 64.112 63.100 0.142 0.000 1.074 312 P CB -0.337 31.423 31.700 0.100 0.000 1.758 313 Q N 1.848 121.735 119.800 0.145 0.000 2.576 313 Q HA -0.099 4.241 4.340 -0.000 0.000 0.218 313 Q C 0.901 176.984 176.000 0.137 0.000 0.983 313 Q CA 0.932 56.806 55.803 0.118 0.000 0.920 313 Q CB -0.325 28.455 28.738 0.070 0.000 0.973 313 Q HN 0.575 nan 8.270 nan 0.000 0.528 314 A N 0.543 123.519 122.820 0.259 0.000 2.136 314 A HA -0.197 4.123 4.320 -0.000 0.000 0.274 314 A C -0.182 177.468 177.584 0.109 0.000 1.388 314 A CA 0.267 52.455 52.037 0.252 0.000 0.741 314 A CB -2.026 17.011 19.000 0.062 0.000 1.173 314 A HN 0.387 nan 8.150 nan 0.000 0.329 315 L N 1.419 122.706 121.223 0.107 0.000 2.371 315 L HA 0.415 4.755 4.340 -0.000 0.000 0.272 315 L C 1.044 177.954 176.870 0.066 0.000 1.124 315 L CA -0.505 54.377 54.840 0.069 0.000 0.816 315 L CB 0.647 42.743 42.059 0.062 0.000 1.129 315 L HN 0.673 nan 8.230 nan 0.000 0.448 316 Q N 2.077 121.913 119.800 0.059 0.000 2.259 316 Q HA 0.169 4.509 4.340 -0.000 0.000 0.249 316 Q C -0.762 175.284 176.000 0.076 0.000 0.914 316 Q CA -0.650 55.201 55.803 0.080 0.000 0.904 316 Q CB 1.348 30.137 28.738 0.084 0.000 1.213 316 Q HN 0.395 nan 8.270 nan 0.000 0.428 317 K N 1.590 122.042 120.400 0.086 0.000 2.438 317 K HA -0.141 4.179 4.320 -0.000 0.000 0.270 317 K C 0.593 177.229 176.600 0.059 0.000 1.095 317 K CA 1.101 57.429 56.287 0.068 0.000 1.174 317 K CB -0.182 32.361 32.500 0.073 0.000 0.830 317 K HN 0.881 nan 8.250 nan 0.000 0.487 318 S N 0.480 116.206 115.700 0.043 0.000 1.567 318 S HA -0.123 4.347 4.470 -0.000 0.000 0.248 318 S C 1.269 175.885 174.600 0.028 0.000 1.035 318 S CA 0.596 58.815 58.200 0.032 0.000 1.139 318 S CB -1.906 61.314 63.200 0.032 0.000 1.363 318 S HN 1.536 nan 8.310 nan 0.000 0.537 319 G N 1.837 110.657 108.800 0.033 0.000 2.284 319 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 319 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 319 G C -0.060 174.857 174.900 0.028 0.000 1.009 319 G CA 0.280 45.398 45.100 0.030 0.000 0.625 319 G HN 0.778 nan 8.290 nan 0.000 0.501 320 R N 1.921 122.436 120.500 0.025 0.000 2.561 320 R HA 0.131 4.471 4.340 -0.000 0.000 0.347 320 R C -0.995 175.317 176.300 0.019 0.000 0.916 320 R CA -0.365 55.745 56.100 0.017 0.000 1.063 320 R CB 0.344 30.651 30.300 0.012 0.000 0.916 320 R HN 0.167 nan 8.270 nan 0.000 0.410 321 P HA -0.230 nan 4.420 nan 0.000 0.219 321 P C -0.323 176.981 177.300 0.007 0.000 1.153 321 P CA 1.072 64.182 63.100 0.015 0.000 0.865 321 P CB 0.139 31.843 31.700 0.008 0.000 0.788 322 V N -2.351 117.561 119.914 -0.003 0.000 3.207 322 V HA -0.149 3.971 4.120 -0.000 0.000 0.455 322 V C -0.414 175.664 176.094 -0.027 0.000 0.682 322 V CA -0.231 62.062 62.300 -0.011 0.000 1.985 322 V CB -0.809 31.014 31.823 0.001 0.000 2.454 322 V HN 0.162 nan 8.190 nan 0.000 0.494 323 K N 5.132 125.511 120.400 -0.035 0.000 2.451 323 K HA 0.465 4.785 4.320 -0.000 0.000 0.280 323 K C 0.461 177.026 176.600 -0.059 0.000 1.020 323 K CA 0.804 57.063 56.287 -0.046 0.000 1.008 323 K CB 0.515 32.984 32.500 -0.050 0.000 0.917 323 K HN 0.847 nan 8.250 nan 0.000 0.478 324 S N 2.316 117.973 115.700 -0.072 0.000 2.616 324 S HA 0.340 4.810 4.470 -0.000 0.000 0.277 324 S C 1.398 175.920 174.600 -0.131 0.000 1.234 324 S CA -0.962 57.174 58.200 -0.107 0.000 1.028 324 S CB 0.836 63.980 63.200 -0.093 0.000 0.988 324 S HN 0.505 nan 8.310 nan 0.000 0.522 325 I N 0.992 121.437 120.570 -0.209 0.000 2.151 325 I HA -0.244 3.926 4.170 -0.000 0.000 0.243 325 I C 2.868 178.915 176.117 -0.117 0.000 1.080 325 I CA 1.659 62.850 61.300 -0.183 0.000 1.339 325 I CB -0.378 37.465 38.000 -0.260 0.000 1.039 325 I HN 0.774 nan 8.210 nan 0.000 0.409 326 R N 1.369 121.811 120.500 -0.095 0.000 2.226 326 R HA -0.220 4.120 4.340 -0.000 0.000 0.246 326 R C 2.107 178.355 176.300 -0.088 0.000 1.161 326 R CA 1.540 57.590 56.100 -0.083 0.000 0.997 326 R CB -0.169 30.116 30.300 -0.026 0.000 0.870 326 R HN 0.426 nan 8.270 nan 0.000 0.465 327 A N 0.708 123.481 122.820 -0.078 0.000 1.935 327 A HA -0.016 4.304 4.320 -0.000 0.000 0.214 327 A C 2.025 179.569 177.584 -0.067 0.000 1.178 327 A CA 0.683 52.679 52.037 -0.068 0.000 0.640 327 A CB -0.243 18.722 19.000 -0.059 0.000 0.825 327 A HN 0.327 nan 8.150 nan 0.000 0.447 328 R N -0.222 120.235 120.500 -0.071 0.000 2.105 328 R HA -0.102 4.238 4.340 -0.000 0.000 0.239 328 R C 1.659 177.924 176.300 -0.059 0.000 1.135 328 R CA 1.611 57.675 56.100 -0.061 0.000 0.967 328 R CB -0.474 29.790 30.300 -0.061 0.000 0.861 328 R HN 0.539 nan 8.270 nan 0.000 0.442 329 L N 0.246 121.426 121.223 -0.073 0.000 2.416 329 L HA 0.107 4.447 4.340 -0.000 0.000 0.216 329 L C 1.141 177.962 176.870 -0.081 0.000 1.098 329 L CA 0.015 54.809 54.840 -0.076 0.000 0.840 329 L CB -0.301 41.698 42.059 -0.099 0.000 0.981 329 L HN 0.035 nan 8.230 nan 0.000 0.462 330 K N 1.903 122.252 120.400 -0.085 0.000 2.518 330 K HA 0.042 4.362 4.320 -0.000 0.000 0.276 330 K C 0.592 177.150 176.600 -0.069 0.000 0.974 330 K CA 0.318 56.555 56.287 -0.084 0.000 0.986 330 K CB 0.481 32.935 32.500 -0.078 0.000 0.901 330 K HN 0.131 nan 8.250 nan 0.000 0.497 331 G N 3.807 112.562 108.800 -0.075 0.000 2.268 331 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.257 331 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.257 331 G C -0.574 174.299 174.900 -0.044 0.000 0.827 331 G CA 0.882 45.944 45.100 -0.063 0.000 0.960 331 G HN 0.969 nan 8.290 nan 0.000 0.353 332 K N 1.822 122.208 120.400 -0.023 0.000 5.433 332 K HA -0.317 4.002 4.320 -0.000 0.000 0.571 332 K C 0.713 177.301 176.600 -0.021 0.000 2.580 332 K CA 1.589 57.868 56.287 -0.013 0.000 2.029 332 K CB -0.437 32.057 32.500 -0.008 0.000 2.425 332 K HN 0.783 nan 8.250 nan 0.000 0.232 333 E N -1.645 118.546 120.200 -0.015 0.000 4.976 333 E HA -0.236 4.114 4.350 -0.000 0.000 0.222 333 E C 0.902 177.489 176.600 -0.022 0.000 0.944 333 E CA 2.266 58.655 56.400 -0.018 0.000 1.778 333 E CB -1.942 27.744 29.700 -0.023 0.000 1.790 333 E HN 1.000 nan 8.360 nan 0.000 0.404 334 G N 0.407 109.191 108.800 -0.027 0.000 2.606 334 G HA2 0.190 4.150 3.960 -0.000 0.000 0.252 334 G HA3 0.190 4.150 3.960 -0.000 0.000 0.252 334 G C 0.756 175.640 174.900 -0.027 0.000 1.206 334 G CA 0.442 45.522 45.100 -0.033 0.000 0.861 334 G HN 0.087 nan 8.290 nan 0.000 0.561 335 R N -0.063 120.419 120.500 -0.031 0.000 2.136 335 R HA -0.183 4.157 4.340 -0.000 0.000 0.242 335 R C 2.474 178.764 176.300 -0.017 0.000 1.131 335 R CA 1.570 57.656 56.100 -0.024 0.000 0.937 335 R CB -0.579 29.705 30.300 -0.026 0.000 0.863 335 R HN 0.528 nan 8.270 nan 0.000 0.435 336 I N 0.232 120.790 120.570 -0.020 0.000 2.094 336 I HA -0.209 3.961 4.170 -0.000 0.000 0.234 336 I C 2.412 178.527 176.117 -0.002 0.000 1.063 336 I CA 1.481 62.775 61.300 -0.010 0.000 1.328 336 I CB -1.084 36.907 38.000 -0.014 0.000 1.058 336 I HN 0.269 nan 8.210 nan 0.000 0.400 337 R N 0.264 120.764 120.500 -0.001 0.000 2.115 337 R HA -0.091 4.249 4.340 -0.000 0.000 0.230 337 R C 1.928 178.231 176.300 0.005 0.000 1.111 337 R CA 1.385 57.491 56.100 0.010 0.000 0.976 337 R CB -0.347 29.963 30.300 0.016 0.000 0.870 337 R HN 0.484 nan 8.270 nan 0.000 0.445 338 G N -1.166 107.632 108.800 -0.004 0.000 3.159 338 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.232 338 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.232 338 G C 0.853 175.751 174.900 -0.004 0.000 1.116 338 G CA -0.213 44.885 45.100 -0.004 0.000 0.767 338 G HN 0.196 nan 8.290 nan 0.000 0.547 339 N N -0.419 118.277 118.700 -0.006 0.000 2.529 339 N HA 0.188 4.928 4.740 -0.000 0.000 0.231 339 N C 1.855 177.363 175.510 -0.005 0.000 1.072 339 N CA 0.066 53.112 53.050 -0.005 0.000 0.854 339 N CB 0.493 38.975 38.487 -0.009 0.000 1.465 339 N HN 0.187 nan 8.380 nan 0.000 0.452 340 L N 0.447 121.667 121.223 -0.005 0.000 2.262 340 L HA 0.222 4.562 4.340 -0.000 0.000 0.197 340 L C 1.769 178.635 176.870 -0.006 0.000 1.073 340 L CA 0.501 55.338 54.840 -0.005 0.000 0.800 340 L CB -0.161 41.897 42.059 -0.003 0.000 0.987 340 L HN -0.014 nan 8.230 nan 0.000 0.470 341 M N 0.007 119.606 119.600 -0.002 0.000 2.630 341 M HA 0.179 4.658 4.480 -0.000 0.000 0.254 341 M C 0.652 176.948 176.300 -0.007 0.000 1.092 341 M CA 0.378 55.676 55.300 -0.003 0.000 1.087 341 M CB -0.821 31.784 32.600 0.009 0.000 1.453 341 M HN 0.231 nan 8.290 nan 0.000 0.509 342 G N 0.951 109.748 108.800 -0.006 0.000 2.716 342 G HA2 0.520 4.480 3.960 -0.000 0.000 0.299 342 G HA3 0.520 4.480 3.960 -0.000 0.000 0.299 342 G C -1.212 173.688 174.900 -0.000 0.000 1.450 342 G CA -0.880 44.216 45.100 -0.006 0.000 0.968 342 G HN 0.254 nan 8.290 nan 0.000 0.566 343 K N 0.182 120.584 120.400 0.003 0.000 2.548 343 K HA 0.682 5.002 4.320 -0.000 0.000 0.282 343 K C -0.531 176.087 176.600 0.029 0.000 1.006 343 K CA -1.318 54.976 56.287 0.012 0.000 0.892 343 K CB 1.810 34.315 32.500 0.008 0.000 1.499 343 K HN 0.583 nan 8.250 nan 0.000 0.433 344 R N 0.662 121.182 120.500 0.034 0.000 2.539 344 R HA 0.446 4.786 4.340 -0.000 0.000 0.275 344 R C 0.118 176.456 176.300 0.065 0.000 1.077 344 R CA -0.887 55.244 56.100 0.052 0.000 1.097 344 R CB 0.775 31.098 30.300 0.037 0.000 1.018 344 R HN 0.541 nan 8.270 nan 0.000 0.483 345 V N -2.076 117.898 119.914 0.101 0.000 3.078 345 V HA 0.411 4.531 4.120 -0.000 0.000 0.311 345 V C -0.625 175.557 176.094 0.146 0.000 1.138 345 V CA -1.273 61.101 62.300 0.123 0.000 1.007 345 V CB 2.296 34.208 31.823 0.148 0.000 1.045 345 V HN 0.604 nan 8.190 nan 0.000 0.432 346 D N 1.014 121.524 120.400 0.183 0.000 2.414 346 D HA 0.389 5.029 4.640 -0.000 0.000 0.251 346 D C 0.094 176.595 176.300 0.336 0.000 1.252 346 D CA 0.237 54.352 54.000 0.191 0.000 0.999 346 D CB 0.040 41.028 40.800 0.315 0.000 1.093 346 D HN 0.729 nan 8.370 nan 0.000 0.515 347 F N -0.733 119.251 119.950 0.057 0.000 2.866 347 F HA -0.245 4.282 4.527 -0.000 0.000 0.254 347 F C 0.461 176.319 175.800 0.097 0.000 1.009 347 F CA 0.233 58.279 58.000 0.077 0.000 0.907 347 F CB -2.088 36.962 39.000 0.083 0.000 0.859 347 F HN 0.150 nan 8.300 nan 0.000 0.842 348 S N -1.168 114.595 115.700 0.105 0.000 2.627 348 S HA 1.027 5.497 4.470 -0.000 0.000 0.283 348 S C -0.452 174.147 174.600 -0.001 0.000 1.127 348 S CA -0.424 57.777 58.200 0.001 0.000 0.863 348 S CB 2.716 65.908 63.200 -0.014 0.000 1.121 348 S HN 1.370 nan 8.310 nan 0.000 0.479 349 A N 0.502 123.323 122.820 0.001 0.000 2.599 349 A HA 0.932 5.252 4.320 -0.000 0.000 0.290 349 A C -1.053 176.643 177.584 0.187 0.000 1.101 349 A CA -0.919 51.184 52.037 0.110 0.000 0.674 349 A CB 1.650 20.783 19.000 0.222 0.000 1.277 349 A HN 1.151 nan 8.150 nan 0.000 0.419 350 R N 0.196 120.794 120.500 0.162 0.000 2.678 350 R HA 0.546 4.886 4.340 -0.000 0.000 0.267 350 R C -0.997 175.270 176.300 -0.056 0.000 1.173 350 R CA 0.541 56.742 56.100 0.169 0.000 1.061 350 R CB 1.370 31.720 30.300 0.082 0.000 1.262 350 R HN 1.473 nan 8.270 nan 0.000 0.427 351 T N -0.967 113.476 114.554 -0.185 0.000 2.618 351 T HA 0.495 4.845 4.350 -0.000 0.000 0.286 351 T C -0.598 174.033 174.700 -0.115 0.000 1.027 351 T CA -0.642 61.286 62.100 -0.286 0.000 1.063 351 T CB 1.173 69.689 68.868 -0.587 0.000 1.440 351 T HN 0.155 nan 8.240 nan 0.000 0.505 352 V N 2.296 122.142 119.914 -0.113 0.000 2.583 352 V HA 0.447 4.567 4.120 -0.000 0.000 0.287 352 V C 0.624 176.723 176.094 0.008 0.000 1.051 352 V CA -0.731 61.556 62.300 -0.022 0.000 1.010 352 V CB 0.429 32.233 31.823 -0.031 0.000 0.988 352 V HN 0.866 nan 8.190 nan 0.000 0.478 353 I N 2.351 122.969 120.570 0.080 0.000 2.498 353 I HA 0.875 5.045 4.170 -0.000 0.000 0.301 353 I C -0.046 175.965 176.117 -0.178 0.000 0.984 353 I CA -0.116 61.221 61.300 0.061 0.000 1.204 353 I CB 2.091 40.202 38.000 0.184 0.000 1.362 353 I HN 0.674 nan 8.210 nan 0.000 0.471 354 S N 3.142 118.590 115.700 -0.420 0.000 2.575 354 S HA 0.686 5.156 4.470 -0.000 0.000 0.278 354 S C -0.129 173.883 174.600 -0.981 0.000 1.139 354 S CA -0.662 57.022 58.200 -0.861 0.000 0.954 354 S CB 1.170 64.118 63.200 -0.419 0.000 1.054 354 S HN 1.149 nan 8.310 nan 0.000 0.483 355 G N 0.826 108.621 108.800 -1.674 0.000 2.544 355 G HA2 0.447 4.407 3.960 -0.000 0.000 0.242 355 G HA3 0.447 4.407 3.960 -0.000 0.000 0.242 355 G C -0.933 173.820 174.900 -0.245 0.000 1.247 355 G CA -0.100 44.654 45.100 -0.578 0.000 0.840 355 G HN 0.766 nan 8.290 nan 0.000 0.578 356 D N 0.931 121.269 120.400 -0.104 0.000 2.788 356 D HA 0.280 4.920 4.640 -0.000 0.000 0.247 356 D C -2.219 174.077 176.300 -0.007 0.000 1.236 356 D CA -1.598 52.364 54.000 -0.065 0.000 0.898 356 D CB 2.870 43.620 40.800 -0.084 0.000 1.401 356 D HN 0.136 nan 8.370 nan 0.000 0.549 357 P HA 0.229 nan 4.420 nan 0.000 0.249 357 P C -0.036 177.290 177.300 0.043 0.000 1.544 357 P CA -0.085 63.032 63.100 0.028 0.000 0.932 357 P CB 0.281 31.989 31.700 0.013 0.000 1.524 358 N N -0.368 118.357 118.700 0.042 0.000 2.194 358 N HA 0.230 4.970 4.740 -0.000 0.000 0.231 358 N C -0.096 175.443 175.510 0.048 0.000 1.247 358 N CA 0.003 53.098 53.050 0.076 0.000 0.884 358 N CB 1.056 39.597 38.487 0.090 0.000 1.146 358 N HN 0.221 nan 8.380 nan 0.000 0.516 359 L N 0.883 122.117 121.223 0.018 0.000 2.333 359 L HA 0.404 4.744 4.340 -0.000 0.000 0.269 359 L C 0.507 177.382 176.870 0.008 0.000 1.010 359 L CA -0.885 53.953 54.840 -0.004 0.000 0.818 359 L CB 1.658 43.687 42.059 -0.050 0.000 1.306 359 L HN -0.166 nan 8.230 nan 0.000 0.430 360 E N 0.810 121.014 120.200 0.007 0.000 2.425 360 E HA -0.035 4.315 4.350 -0.000 0.000 0.258 360 E C 0.717 177.317 176.600 0.000 0.000 1.151 360 E CA -0.129 56.283 56.400 0.021 0.000 0.958 360 E CB 0.757 30.469 29.700 0.021 0.000 0.968 360 E HN 0.406 nan 8.360 nan 0.000 0.451 361 L N 2.317 123.540 121.223 -0.002 0.000 1.978 361 L HA -0.258 4.082 4.340 -0.000 0.000 0.218 361 L C 1.525 178.389 176.870 -0.011 0.000 1.075 361 L CA 2.578 57.380 54.840 -0.064 0.000 0.767 361 L CB -0.684 41.260 42.059 -0.191 0.000 0.890 361 L HN 0.602 nan 8.230 nan 0.000 0.434 362 D N -1.499 118.918 120.400 0.028 0.000 2.378 362 D HA -0.097 4.543 4.640 -0.000 0.000 0.227 362 D C 0.793 177.175 176.300 0.136 0.000 1.012 362 D CA 0.271 54.347 54.000 0.127 0.000 0.905 362 D CB -0.311 40.527 40.800 0.062 0.000 0.895 362 D HN 0.563 nan 8.370 nan 0.000 0.532 363 Q N -0.602 119.196 119.800 -0.003 0.000 2.189 363 Q HA 0.527 4.867 4.340 -0.000 0.000 0.193 363 Q C -0.820 175.011 176.000 -0.282 0.000 1.034 363 Q CA -0.931 54.825 55.803 -0.078 0.000 1.062 363 Q CB 2.107 30.795 28.738 -0.082 0.000 1.118 363 Q HN 0.037 nan 8.270 nan 0.000 0.569 364 V N -0.149 119.578 119.914 -0.312 0.000 2.739 364 V HA 0.445 4.564 4.120 -0.000 0.000 0.293 364 V C -0.971 174.926 176.094 -0.329 0.000 1.199 364 V CA -0.418 61.566 62.300 -0.527 0.000 0.931 364 V CB 1.536 32.864 31.823 -0.824 0.000 1.052 364 V HN 0.799 nan 8.190 nan 0.000 0.441 365 G N 5.397 114.041 108.800 -0.260 0.000 2.361 365 G HA2 0.511 4.471 3.960 -0.000 0.000 0.260 365 G HA3 0.511 4.471 3.960 -0.000 0.000 0.260 365 G C -0.649 174.235 174.900 -0.027 0.000 1.261 365 G CA -0.130 44.899 45.100 -0.119 0.000 0.897 365 G HN 0.950 nan 8.290 nan 0.000 0.499 366 V N 5.957 125.873 119.914 0.003 0.000 2.448 366 V HA 0.359 4.479 4.120 -0.000 0.000 0.295 366 V C -1.896 174.221 176.094 0.037 0.000 1.025 366 V CA -1.762 60.604 62.300 0.110 0.000 0.859 366 V CB 2.241 34.110 31.823 0.075 0.000 0.988 366 V HN 0.664 nan 8.190 nan 0.000 0.431 367 P HA 0.065 nan 4.420 nan 0.000 0.268 367 P C 0.545 177.792 177.300 -0.089 0.000 1.204 367 P CA -0.019 63.046 63.100 -0.059 0.000 0.768 367 P CB 1.095 32.726 31.700 -0.115 0.000 0.842 368 K N 3.210 123.522 120.400 -0.146 0.000 2.034 368 K HA -0.223 4.097 4.320 -0.000 0.000 0.214 368 K C 2.024 178.537 176.600 -0.146 0.000 1.051 368 K CA 2.581 58.733 56.287 -0.224 0.000 0.931 368 K CB -0.558 31.798 32.500 -0.241 0.000 0.715 368 K HN 0.528 nan 8.250 nan 0.000 0.446 369 S N 0.461 116.097 115.700 -0.106 0.000 2.407 369 S HA -0.196 4.274 4.470 -0.000 0.000 0.235 369 S C 1.964 176.549 174.600 -0.024 0.000 1.036 369 S CA 1.589 59.751 58.200 -0.063 0.000 1.013 369 S CB -0.519 62.639 63.200 -0.070 0.000 0.820 369 S HN 0.413 nan 8.310 nan 0.000 0.476 370 I N 1.601 122.158 120.570 -0.022 0.000 2.339 370 I HA 0.042 4.211 4.170 -0.000 0.000 0.245 370 I C 3.055 179.224 176.117 0.087 0.000 1.096 370 I CA 0.786 62.106 61.300 0.033 0.000 1.408 370 I CB -0.699 37.333 38.000 0.054 0.000 1.092 370 I HN 0.422 nan 8.210 nan 0.000 0.423 371 A N 0.671 123.528 122.820 0.061 0.000 2.032 371 A HA -0.235 4.085 4.320 -0.000 0.000 0.221 371 A C 2.193 179.947 177.584 0.283 0.000 1.165 371 A CA 1.659 53.774 52.037 0.131 0.000 0.645 371 A CB -0.461 18.532 19.000 -0.012 0.000 0.807 371 A HN 0.343 nan 8.150 nan 0.000 0.453 372 K N -1.504 119.011 120.400 0.192 0.000 2.400 372 K HA 0.025 4.345 4.320 -0.000 0.000 0.194 372 K C 1.475 178.309 176.600 0.390 0.000 1.033 372 K CA 1.108 57.600 56.287 0.342 0.000 1.021 372 K CB 0.071 32.629 32.500 0.097 0.000 0.808 372 K HN 0.468 nan 8.250 nan 0.000 0.505 373 T N 1.118 115.793 114.554 0.201 0.000 2.988 373 T HA 0.148 4.498 4.350 -0.000 0.000 0.240 373 T C 0.687 175.420 174.700 0.055 0.000 1.014 373 T CA 0.029 62.186 62.100 0.096 0.000 1.155 373 T CB 0.161 69.051 68.868 0.036 0.000 0.872 373 T HN -0.004 nan 8.240 nan 0.000 0.440 374 L N 2.218 123.493 121.223 0.087 0.000 2.490 374 L HA 0.278 4.618 4.340 -0.000 0.000 0.274 374 L C 0.542 177.521 176.870 0.183 0.000 1.201 374 L CA 0.085 54.983 54.840 0.097 0.000 0.869 374 L CB 0.414 42.569 42.059 0.162 0.000 1.123 374 L HN 0.186 nan 8.230 nan 0.000 0.484 375 T N 1.935 116.644 114.554 0.260 0.000 2.916 375 T HA 0.503 4.853 4.350 -0.000 0.000 0.292 375 T C -1.566 173.391 174.700 0.429 0.000 1.064 375 T CA -0.438 61.842 62.100 0.301 0.000 1.011 375 T CB 1.315 70.300 68.868 0.195 0.000 1.152 375 T HN 0.374 nan 8.240 nan 0.000 0.510 376 Y N 4.039 124.431 120.300 0.154 0.000 2.346 376 Y HA 0.539 5.089 4.550 -0.000 0.000 0.332 376 Y C -2.602 173.322 175.900 0.040 0.000 0.985 376 Y CA -2.434 55.712 58.100 0.076 0.000 1.112 376 Y CB 2.096 40.596 38.460 0.067 0.000 1.170 376 Y HN 0.381 nan 8.280 nan 0.000 0.447 377 P HA 0.102 nan 4.420 nan 0.000 0.276 377 P C -1.042 175.960 177.300 -0.497 0.000 1.264 377 P CA 0.211 63.066 63.100 -0.409 0.000 0.769 377 P CB 1.285 32.749 31.700 -0.393 0.000 0.840 378 E N 3.004 123.130 120.200 -0.123 0.000 2.248 378 E HA 0.359 4.709 4.350 -0.000 0.000 0.267 378 E C -0.980 175.647 176.600 0.044 0.000 0.877 378 E CA -1.040 55.382 56.400 0.036 0.000 0.759 378 E CB 1.765 31.588 29.700 0.204 0.000 1.182 378 E HN 0.110 nan 8.360 nan 0.000 0.418 379 V N 3.693 123.639 119.914 0.053 0.000 2.583 379 V HA 0.123 4.243 4.120 -0.000 0.000 0.287 379 V C 0.250 176.386 176.094 0.071 0.000 1.051 379 V CA -0.793 61.543 62.300 0.060 0.000 1.010 379 V CB 1.267 33.118 31.823 0.046 0.000 0.988 379 V HN 0.537 nan 8.190 nan 0.000 0.478 380 V N 4.951 124.914 119.914 0.082 0.000 2.450 380 V HA 0.180 4.300 4.120 -0.000 0.000 0.281 380 V C 0.608 176.735 176.094 0.055 0.000 1.019 380 V CA 0.833 63.156 62.300 0.038 0.000 1.062 380 V CB 0.452 32.273 31.823 -0.004 0.000 0.979 380 V HN 1.075 nan 8.190 nan 0.000 0.477 381 T N 8.232 122.816 114.554 0.048 0.000 2.909 381 T HA 0.381 4.731 4.350 -0.000 0.000 0.299 381 T C -1.725 173.072 174.700 0.161 0.000 1.073 381 T CA -0.935 61.210 62.100 0.075 0.000 0.999 381 T CB 2.371 71.170 68.868 -0.114 0.000 1.098 381 T HN 0.409 nan 8.240 nan 0.000 0.477 382 P HA -0.173 nan 4.420 nan 0.000 0.220 382 P C 0.991 178.506 177.300 0.357 0.000 1.144 382 P CA 1.490 64.875 63.100 0.474 0.000 0.800 382 P CB 0.016 31.914 31.700 0.330 0.000 0.772 383 Y N 0.879 121.252 120.300 0.122 0.000 2.352 383 Y HA -0.143 4.407 4.550 -0.000 0.000 0.292 383 Y C 1.900 177.832 175.900 0.053 0.000 1.136 383 Y CA 0.868 59.010 58.100 0.070 0.000 1.227 383 Y CB -0.508 37.988 38.460 0.059 0.000 0.991 383 Y HN 0.246 nan 8.280 nan 0.000 0.545 384 N N -2.306 116.512 118.700 0.197 0.000 2.067 384 N HA -0.021 4.718 4.740 -0.000 0.000 0.227 384 N C 1.060 176.593 175.510 0.040 0.000 1.348 384 N CA -0.120 52.995 53.050 0.108 0.000 0.879 384 N CB -0.754 37.797 38.487 0.107 0.000 1.109 384 N HN 0.002 nan 8.380 nan 0.000 0.501 385 I N 1.925 122.492 120.570 -0.005 0.000 2.182 385 I HA -0.333 3.837 4.170 -0.000 0.000 0.248 385 I C 0.898 176.970 176.117 -0.074 0.000 1.073 385 I CA 1.770 63.001 61.300 -0.114 0.000 1.335 385 I CB -0.503 37.322 38.000 -0.291 0.000 1.031 385 I HN 0.262 nan 8.210 nan 0.000 0.420 386 D N -0.426 119.954 120.400 -0.033 0.000 2.075 386 D HA -0.206 4.434 4.640 -0.000 0.000 0.196 386 D C 2.183 178.478 176.300 -0.008 0.000 0.985 386 D CA 1.184 55.171 54.000 -0.022 0.000 0.834 386 D CB -0.361 40.437 40.800 -0.003 0.000 0.987 386 D HN 0.315 nan 8.370 nan 0.000 0.452 387 R N 0.720 121.226 120.500 0.010 0.000 2.136 387 R HA -0.180 4.159 4.340 -0.000 0.000 0.242 387 R C 2.623 178.933 176.300 0.015 0.000 1.131 387 R CA 1.349 57.459 56.100 0.017 0.000 0.937 387 R CB -0.532 29.787 30.300 0.032 0.000 0.863 387 R HN 0.158 nan 8.270 nan 0.000 0.435 388 L N -0.260 120.975 121.223 0.019 0.000 2.042 388 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 388 L C 2.439 179.317 176.870 0.013 0.000 1.076 388 L CA 1.941 56.796 54.840 0.025 0.000 0.749 388 L CB -0.701 41.376 42.059 0.030 0.000 0.893 388 L HN 0.383 nan 8.230 nan 0.000 0.432 389 T N -1.436 113.112 114.554 -0.010 0.000 2.833 389 T HA -0.238 4.112 4.350 -0.000 0.000 0.269 389 T C 1.780 176.478 174.700 -0.004 0.000 1.054 389 T CA 1.232 63.323 62.100 -0.015 0.000 1.135 389 T CB -0.142 68.701 68.868 -0.041 0.000 0.869 389 T HN 0.208 nan 8.240 nan 0.000 0.466 390 Q N 1.141 120.939 119.800 -0.003 0.000 2.046 390 Q HA 0.035 4.375 4.340 -0.000 0.000 0.200 390 Q C 2.081 178.085 176.000 0.005 0.000 0.975 390 Q CA 1.464 57.266 55.803 -0.001 0.000 0.836 390 Q CB -0.786 27.950 28.738 -0.002 0.000 0.896 390 Q HN 0.499 nan 8.270 nan 0.000 0.428 391 L N -0.699 120.531 121.223 0.012 0.000 2.012 391 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 391 L C 2.368 179.255 176.870 0.028 0.000 1.073 391 L CA 1.316 56.169 54.840 0.023 0.000 0.748 391 L CB -0.708 41.371 42.059 0.034 0.000 0.891 391 L HN 0.096 nan 8.230 nan 0.000 0.431 392 V N -0.379 119.552 119.914 0.027 0.000 2.255 392 V HA -0.345 3.775 4.120 -0.000 0.000 0.247 392 V C 2.608 178.712 176.094 0.017 0.000 1.051 392 V CA 2.217 64.533 62.300 0.028 0.000 1.018 392 V CB -0.765 31.082 31.823 0.039 0.000 0.641 392 V HN 0.427 nan 8.190 nan 0.000 0.445 393 R N 0.377 120.884 120.500 0.012 0.000 2.096 393 R HA -0.169 4.171 4.340 -0.000 0.000 0.235 393 R C 2.324 178.627 176.300 0.004 0.000 1.127 393 R CA 1.627 57.730 56.100 0.005 0.000 0.968 393 R CB -0.448 29.852 30.300 0.001 0.000 0.861 393 R HN 0.550 nan 8.270 nan 0.000 0.440 394 N N 0.045 118.750 118.700 0.008 0.000 2.348 394 N HA -0.090 4.650 4.740 -0.000 0.000 0.185 394 N C 0.283 175.802 175.510 0.015 0.000 1.019 394 N CA 1.388 54.443 53.050 0.009 0.000 0.880 394 N CB 0.124 38.616 38.487 0.009 0.000 0.965 394 N HN 0.427 nan 8.380 nan 0.000 0.437 395 G N 0.031 108.842 108.800 0.019 0.000 2.699 395 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.686 395 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.686 395 G C -2.566 172.374 174.900 0.066 0.000 1.301 395 G CA -0.248 44.862 45.100 0.016 0.000 0.816 395 G HN 0.126 nan 8.290 nan 0.000 0.595 396 P HA 0.196 nan 4.420 nan 0.000 0.263 396 P C 0.477 177.890 177.300 0.188 0.000 1.448 396 P CA 0.142 63.325 63.100 0.138 0.000 0.983 396 P CB 0.302 31.996 31.700 -0.010 0.000 1.481 397 N N -0.484 118.275 118.700 0.097 0.000 2.445 397 N HA 0.061 4.801 4.740 -0.000 0.000 0.204 397 N C 0.577 176.100 175.510 0.021 0.000 1.098 397 N CA 0.239 53.317 53.050 0.047 0.000 0.859 397 N CB 0.114 38.601 38.487 0.000 0.000 1.249 397 N HN 0.190 nan 8.380 nan 0.000 0.462 398 E N 0.119 120.331 120.200 0.019 0.000 2.371 398 E HA 0.008 4.357 4.350 -0.000 0.000 0.257 398 E C 0.193 176.774 176.600 -0.032 0.000 1.134 398 E CA -0.210 56.189 56.400 -0.002 0.000 0.919 398 E CB 1.053 30.752 29.700 -0.002 0.000 1.025 398 E HN 0.257 nan 8.360 nan 0.000 0.438 399 H N 2.431 121.418 119.070 -0.138 0.000 3.646 399 H HA -0.000 4.556 4.556 -0.000 0.000 0.305 399 H C -1.746 173.456 175.328 -0.211 0.000 0.977 399 H CA 0.314 56.213 56.048 -0.248 0.000 1.014 399 H CB -1.184 28.469 29.762 -0.181 0.000 1.774 399 H HN 0.282 nan 8.280 nan 0.000 1.075 400 P HA 0.012 nan 4.420 nan 0.000 0.198 400 P C -0.563 176.633 177.300 -0.173 0.000 0.910 400 P CA 1.486 64.255 63.100 -0.552 0.000 1.202 400 P CB -0.503 31.047 31.700 -0.251 0.000 1.231 401 G N 1.005 109.843 108.800 0.063 0.000 2.846 401 G HA2 0.809 4.769 3.960 -0.000 0.000 0.299 401 G HA3 0.809 4.769 3.960 -0.000 0.000 0.299 401 G C -1.813 173.248 174.900 0.268 0.000 1.242 401 G CA -0.109 45.124 45.100 0.221 0.000 0.800 401 G HN 0.461 nan 8.290 nan 0.000 0.538 402 A N -1.404 121.449 122.820 0.055 0.000 2.609 402 A HA 0.778 5.098 4.320 -0.000 0.000 0.291 402 A C 0.024 177.532 177.584 -0.127 0.000 1.096 402 A CA -0.319 51.642 52.037 -0.126 0.000 0.684 402 A CB 1.576 20.570 19.000 -0.009 0.000 1.282 402 A HN 0.545 nan 8.150 nan 0.000 0.412 403 K N -0.897 119.452 120.400 -0.084 0.000 2.329 403 K HA 0.267 4.587 4.320 -0.000 0.000 0.198 403 K C -0.925 175.699 176.600 0.040 0.000 1.085 403 K CA 0.904 57.202 56.287 0.017 0.000 0.961 403 K CB 0.343 32.957 32.500 0.190 0.000 0.971 403 K HN 0.581 nan 8.250 nan 0.000 0.502 404 Y N -0.124 120.152 120.300 -0.040 0.000 2.524 404 Y HA 0.400 4.950 4.550 -0.000 0.000 0.347 404 Y C -0.663 175.231 175.900 -0.010 0.000 1.005 404 Y CA -1.293 56.797 58.100 -0.018 0.000 1.025 404 Y CB 1.958 40.412 38.460 -0.011 0.000 1.275 404 Y HN -0.380 nan 8.280 nan 0.000 0.460 405 V N 4.573 124.570 119.914 0.138 0.000 2.495 405 V HA 0.510 4.630 4.120 -0.000 0.000 0.298 405 V C -0.550 175.544 176.094 -0.001 0.000 1.031 405 V CA -0.823 61.529 62.300 0.087 0.000 0.871 405 V CB 1.763 33.645 31.823 0.098 0.000 0.988 405 V HN 0.548 nan 8.190 nan 0.000 0.432 406 I N 4.761 125.300 120.570 -0.052 0.000 2.411 406 I HA 0.515 4.685 4.170 -0.000 0.000 0.284 406 I C 0.223 176.074 176.117 -0.444 0.000 1.012 406 I CA -0.611 60.577 61.300 -0.185 0.000 1.119 406 I CB 1.546 39.487 38.000 -0.098 0.000 1.261 406 I HN 0.514 nan 8.210 nan 0.000 0.448 407 R N 2.820 122.832 120.500 -0.813 0.000 2.615 407 R HA 0.102 4.442 4.340 -0.000 0.000 0.270 407 R C 0.881 176.816 176.300 -0.608 0.000 1.081 407 R CA -0.408 54.834 56.100 -1.430 0.000 1.154 407 R CB 0.591 30.124 30.300 -1.278 0.000 1.063 407 R HN 0.643 nan 8.270 nan 0.000 0.519 408 D N -0.319 119.858 120.400 -0.370 0.000 2.221 408 D HA -0.162 4.478 4.640 -0.000 0.000 0.204 408 D C 0.306 176.555 176.300 -0.085 0.000 0.982 408 D CA 0.990 54.949 54.000 -0.068 0.000 0.857 408 D CB -0.203 40.657 40.800 0.100 0.000 0.934 408 D HN 0.378 nan 8.370 nan 0.000 0.475 409 S N 0.055 115.683 115.700 -0.121 0.000 4.183 409 S HA 0.407 4.877 4.470 -0.000 0.000 0.195 409 S C 1.218 175.755 174.600 -0.104 0.000 1.421 409 S CA -0.414 57.735 58.200 -0.085 0.000 0.920 409 S CB -0.581 62.580 63.200 -0.065 0.000 1.525 409 S HN 0.449 nan 8.310 nan 0.000 0.447 410 G N 1.804 110.551 108.800 -0.088 0.000 1.993 410 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.241 410 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.241 410 G C -0.345 174.508 174.900 -0.079 0.000 0.727 410 G CA 0.474 45.529 45.100 -0.075 0.000 1.019 410 G HN 0.735 nan 8.290 nan 0.000 0.367 411 D N -0.438 119.893 120.400 -0.116 0.000 2.859 411 D HA 0.384 5.024 4.640 -0.000 0.000 0.223 411 D C 0.012 176.257 176.300 -0.092 0.000 1.218 411 D CA -0.703 53.240 54.000 -0.094 0.000 0.850 411 D CB 1.162 41.898 40.800 -0.106 0.000 1.656 411 D HN 0.226 nan 8.370 nan 0.000 0.484 412 R N 2.780 123.269 120.500 -0.019 0.000 2.229 412 R HA 0.512 4.852 4.340 -0.000 0.000 0.328 412 R C -0.275 176.057 176.300 0.054 0.000 1.009 412 R CA -0.591 55.548 56.100 0.066 0.000 0.864 412 R CB 1.133 31.542 30.300 0.181 0.000 1.085 412 R HN 0.405 nan 8.270 nan 0.000 0.453 413 I N 2.466 123.051 120.570 0.025 0.000 2.297 413 I HA 0.061 4.231 4.170 -0.000 0.000 0.291 413 I C 0.127 176.185 176.117 -0.099 0.000 1.033 413 I CA -0.398 60.884 61.300 -0.031 0.000 1.253 413 I CB 1.174 39.145 38.000 -0.048 0.000 1.396 413 I HN 0.354 nan 8.210 nan 0.000 0.476 414 D N 7.581 127.884 120.400 -0.163 0.000 2.453 414 D HA 0.158 4.798 4.640 -0.000 0.000 0.223 414 D C 1.282 177.422 176.300 -0.266 0.000 1.183 414 D CA -0.106 53.645 54.000 -0.415 0.000 0.933 414 D CB 0.851 41.517 40.800 -0.223 0.000 1.038 414 D HN 0.496 nan 8.370 nan 0.000 0.513 415 L N 3.280 124.328 121.223 -0.291 0.000 2.085 415 L HA -0.274 4.066 4.340 -0.000 0.000 0.218 415 L C 2.346 179.098 176.870 -0.197 0.000 1.080 415 L CA 1.570 56.304 54.840 -0.176 0.000 0.776 415 L CB -0.516 41.457 42.059 -0.143 0.000 0.891 415 L HN 0.450 nan 8.230 nan 0.000 0.437 416 R N -1.309 118.997 120.500 -0.323 0.000 2.369 416 R HA -0.138 4.202 4.340 -0.000 0.000 0.200 416 R C 0.706 176.639 176.300 -0.612 0.000 1.046 416 R CA 1.234 57.047 56.100 -0.477 0.000 1.057 416 R CB -0.118 29.799 30.300 -0.639 0.000 0.888 416 R HN 0.441 nan 8.270 nan 0.000 0.474 417 Y N -1.628 118.612 120.300 -0.099 0.000 2.557 417 Y HA 0.151 4.701 4.550 -0.000 0.000 0.275 417 Y C 0.648 176.514 175.900 -0.058 0.000 1.163 417 Y CA -0.311 57.747 58.100 -0.069 0.000 1.086 417 Y CB 0.200 38.619 38.460 -0.068 0.000 1.338 417 Y HN 0.064 nan 8.280 nan 0.000 0.534 418 S N 3.102 118.865 115.700 0.104 0.000 2.642 418 S HA -0.106 4.364 4.470 -0.000 0.000 0.308 418 S C 1.296 175.916 174.600 0.032 0.000 1.255 418 S CA 0.329 58.556 58.200 0.044 0.000 1.057 418 S CB 0.492 63.697 63.200 0.010 0.000 0.785 418 S HN 0.519 nan 8.310 nan 0.000 0.500 419 K N 4.289 124.706 120.400 0.028 0.000 2.442 419 K HA -0.032 4.288 4.320 -0.000 0.000 0.198 419 K C 1.109 177.720 176.600 0.017 0.000 1.044 419 K CA 1.139 57.438 56.287 0.021 0.000 0.948 419 K CB -0.053 32.457 32.500 0.017 0.000 0.762 419 K HN 0.639 nan 8.250 nan 0.000 0.472 420 R N 0.014 120.525 120.500 0.018 0.000 2.546 420 R HA 0.270 4.610 4.340 -0.000 0.000 0.320 420 R C 1.563 177.875 176.300 0.020 0.000 1.021 420 R CA 0.294 56.407 56.100 0.022 0.000 1.088 420 R CB 0.587 30.907 30.300 0.033 0.000 1.278 420 R HN 0.213 nan 8.270 nan 0.000 0.557 421 A N 1.174 123.999 122.820 0.009 0.000 1.884 421 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 421 A C 2.214 179.799 177.584 0.003 0.000 1.197 421 A CA 2.193 54.229 52.037 -0.002 0.000 0.637 421 A CB -0.986 18.002 19.000 -0.021 0.000 0.827 421 A HN 0.459 nan 8.150 nan 0.000 0.450 422 G N -1.102 107.699 108.800 0.002 0.000 2.448 422 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.218 422 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.218 422 G C 1.078 175.983 174.900 0.008 0.000 1.135 422 G CA 0.983 46.084 45.100 0.002 0.000 0.784 422 G HN 0.574 nan 8.290 nan 0.000 0.543 423 D N 0.067 120.475 120.400 0.014 0.000 1.905 423 D HA 0.078 4.718 4.640 -0.000 0.000 0.296 423 D C 0.931 177.247 176.300 0.027 0.000 1.073 423 D CA 0.007 54.017 54.000 0.018 0.000 0.957 423 D CB 0.074 40.889 40.800 0.023 0.000 1.165 423 D HN 0.095 nan 8.370 nan 0.000 0.422 424 I N -0.464 120.134 120.570 0.046 0.000 8.975 424 I HA -0.264 3.906 4.170 -0.000 0.000 0.126 424 I C -0.806 175.324 176.117 0.022 0.000 1.857 424 I CA 0.208 61.552 61.300 0.074 0.000 2.051 424 I CB -0.366 37.695 38.000 0.102 0.000 3.917 424 I HN 0.456 nan 8.210 nan 0.000 0.173 425 Q N 6.972 126.762 119.800 -0.017 0.000 2.350 425 Q HA 0.567 4.907 4.340 -0.000 0.000 0.255 425 Q C -0.681 175.162 176.000 -0.261 0.000 0.951 425 Q CA -0.868 54.866 55.803 -0.115 0.000 0.751 425 Q CB 1.594 30.261 28.738 -0.118 0.000 1.296 425 Q HN 0.658 nan 8.270 nan 0.000 0.453 426 L N 1.219 122.292 121.223 -0.249 0.000 2.428 426 L HA 0.036 4.376 4.340 -0.000 0.000 0.266 426 L C 0.539 176.917 176.870 -0.820 0.000 1.269 426 L CA 0.532 55.126 54.840 -0.411 0.000 0.821 426 L CB 0.113 42.059 42.059 -0.188 0.000 1.095 426 L HN 0.586 nan 8.230 nan 0.000 0.559 427 Q N 0.093 119.230 119.800 -1.105 0.000 2.263 427 Q HA 0.273 4.613 4.340 -0.000 0.000 0.266 427 Q C -1.425 174.252 176.000 -0.540 0.000 1.002 427 Q CA -0.632 54.540 55.803 -1.052 0.000 0.790 427 Q CB 1.780 29.437 28.738 -1.803 0.000 1.272 427 Q HN 0.333 nan 8.270 nan 0.000 0.435 428 Y N 0.883 121.015 120.300 -0.281 0.000 2.887 428 Y HA 0.002 4.552 4.550 -0.000 0.000 0.350 428 Y C 1.615 177.466 175.900 -0.081 0.000 1.294 428 Y CA 2.103 60.115 58.100 -0.146 0.000 1.622 428 Y CB 0.047 38.433 38.460 -0.123 0.000 1.201 428 Y HN 1.022 nan 8.280 nan 0.000 0.546 429 G N 1.024 109.914 108.800 0.150 0.000 2.541 429 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.201 429 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.201 429 G C -0.010 175.069 174.900 0.297 0.000 1.026 429 G CA -0.552 44.659 45.100 0.186 0.000 0.687 429 G HN 0.474 nan 8.290 nan 0.000 0.492 430 W N 1.801 123.106 121.300 0.009 0.000 1.979 430 W HA 0.663 5.323 4.660 -0.000 0.000 0.359 430 W C 0.901 177.415 176.519 -0.008 0.000 1.354 430 W CA -0.145 57.198 57.345 -0.002 0.000 1.359 430 W CB 0.200 29.655 29.460 -0.009 0.000 1.248 430 W HN 0.030 nan 8.180 nan 0.000 0.641 431 K N 0.515 121.035 120.400 0.201 0.000 2.316 431 K HA 0.553 4.873 4.320 -0.000 0.000 0.251 431 K C -1.446 175.215 176.600 0.101 0.000 0.934 431 K CA -1.009 55.337 56.287 0.098 0.000 0.802 431 K CB 2.405 34.913 32.500 0.013 0.000 1.171 431 K HN 0.073 nan 8.250 nan 0.000 0.426 432 V N 2.036 122.000 119.914 0.084 0.000 2.325 432 V HA 0.179 4.299 4.120 -0.000 0.000 0.280 432 V C -0.195 175.939 176.094 0.067 0.000 1.016 432 V CA -0.912 61.442 62.300 0.090 0.000 0.818 432 V CB 1.091 32.970 31.823 0.094 0.000 1.019 432 V HN 0.689 nan 8.190 nan 0.000 0.434 433 E N 5.199 125.441 120.200 0.069 0.000 2.159 433 E HA 0.194 4.543 4.350 -0.000 0.000 0.272 433 E C 0.274 176.913 176.600 0.065 0.000 1.138 433 E CA -0.127 56.309 56.400 0.060 0.000 0.915 433 E CB 0.736 30.478 29.700 0.070 0.000 1.028 433 E HN 0.744 nan 8.360 nan 0.000 0.423 434 R N 2.345 122.896 120.500 0.085 0.000 2.705 434 R HA 0.403 4.743 4.340 -0.000 0.000 0.246 434 R C 0.252 176.582 176.300 0.051 0.000 1.142 434 R CA -0.807 55.323 56.100 0.051 0.000 1.114 434 R CB 0.659 31.021 30.300 0.105 0.000 1.256 434 R HN 0.372 nan 8.270 nan 0.000 0.536 435 H N -0.103 119.023 119.070 0.094 0.000 2.671 435 H HA 0.138 4.694 4.556 -0.000 0.000 0.372 435 H C 0.302 175.713 175.328 0.140 0.000 1.227 435 H CA -0.164 55.951 56.048 0.112 0.000 1.426 435 H CB 0.703 30.488 29.762 0.038 0.000 1.480 435 H HN 0.270 nan 8.280 nan 0.000 0.611 436 I N 2.737 123.506 120.570 0.331 0.000 2.556 436 I HA 0.012 4.182 4.170 -0.000 0.000 0.284 436 I C 0.813 177.065 176.117 0.226 0.000 1.114 436 I CA 0.596 62.033 61.300 0.228 0.000 1.418 436 I CB -0.322 37.800 38.000 0.204 0.000 1.394 436 I HN 0.337 nan 8.210 nan 0.000 0.552 437 M N 3.606 123.287 119.600 0.134 0.000 2.690 437 M HA 0.339 4.819 4.480 -0.000 0.000 0.302 437 M C -0.469 175.877 176.300 0.076 0.000 1.234 437 M CA -1.078 54.302 55.300 0.134 0.000 0.853 437 M CB 1.515 34.160 32.600 0.074 0.000 1.748 437 M HN 0.322 nan 8.290 nan 0.000 0.469 438 D N 1.887 122.333 120.400 0.077 0.000 2.658 438 D HA 0.006 4.646 4.640 -0.000 0.000 0.230 438 D C -0.362 175.943 176.300 0.008 0.000 1.118 438 D CA 1.626 55.645 54.000 0.032 0.000 0.848 438 D CB -0.117 40.700 40.800 0.028 0.000 1.160 438 D HN 0.655 nan 8.370 nan 0.000 0.497 439 N N 0.995 119.691 118.700 -0.006 0.000 2.862 439 N HA -0.151 4.589 4.740 -0.000 0.000 0.248 439 N C -1.516 173.974 175.510 -0.033 0.000 1.116 439 N CA 0.484 53.524 53.050 -0.017 0.000 0.727 439 N CB -0.514 37.965 38.487 -0.014 0.000 1.083 439 N HN 0.413 nan 8.380 nan 0.000 0.555 440 D N 0.355 120.733 120.400 -0.037 0.000 2.177 440 D HA 0.280 4.920 4.640 -0.000 0.000 0.247 440 D C -2.280 173.989 176.300 -0.051 0.000 1.063 440 D CA -1.273 52.682 54.000 -0.075 0.000 0.867 440 D CB 1.243 41.997 40.800 -0.076 0.000 1.168 440 D HN 0.043 nan 8.370 nan 0.000 0.445 441 P HA 0.115 nan 4.420 nan 0.000 0.281 441 P C -0.626 176.673 177.300 -0.003 0.000 1.252 441 P CA -0.418 62.666 63.100 -0.027 0.000 0.778 441 P CB 1.152 32.832 31.700 -0.034 0.000 0.895 442 V N 1.677 121.605 119.914 0.024 0.000 2.925 442 V HA 0.486 4.606 4.120 -0.000 0.000 0.311 442 V C -0.644 175.503 176.094 0.089 0.000 1.104 442 V CA -1.282 61.055 62.300 0.061 0.000 0.954 442 V CB 2.198 34.052 31.823 0.052 0.000 1.022 442 V HN 0.375 nan 8.190 nan 0.000 0.427 443 L N 3.631 124.934 121.223 0.132 0.000 2.290 443 L HA 0.592 4.932 4.340 -0.000 0.000 0.284 443 L C -1.119 175.916 176.870 0.276 0.000 1.078 443 L CA -0.360 54.576 54.840 0.160 0.000 0.815 443 L CB 1.127 43.281 42.059 0.159 0.000 1.162 443 L HN 0.827 nan 8.230 nan 0.000 0.435 444 F N 6.422 126.427 119.950 0.091 0.000 2.507 444 F HA 0.509 5.036 4.527 -0.000 0.000 0.325 444 F C -0.421 175.474 175.800 0.158 0.000 1.116 444 F CA -0.727 57.316 58.000 0.072 0.000 0.930 444 F CB 1.366 40.474 39.000 0.180 0.000 1.146 444 F HN 0.551 nan 8.300 nan 0.000 0.447 445 N N 4.652 123.147 118.700 -0.343 0.000 2.647 445 N HA 0.463 5.203 4.740 -0.000 0.000 0.266 445 N C -2.079 173.249 175.510 -0.305 0.000 1.373 445 N CA -0.863 52.113 53.050 -0.124 0.000 0.807 445 N CB 2.385 40.920 38.487 0.080 0.000 1.513 445 N HN 0.827 nan 8.380 nan 0.000 0.505 446 R N 0.770 121.273 120.500 0.004 0.000 2.538 446 R HA 0.302 4.642 4.340 -0.000 0.000 0.292 446 R C -1.004 175.316 176.300 0.034 0.000 1.008 446 R CA -0.377 55.703 56.100 -0.034 0.000 0.896 446 R CB 1.397 31.693 30.300 -0.007 0.000 1.187 446 R HN 0.668 nan 8.270 nan 0.000 0.440 447 Q N 3.840 123.643 119.800 0.004 0.000 2.260 447 Q HA 0.361 4.701 4.340 -0.000 0.000 0.242 447 Q C -1.981 174.019 176.000 -0.001 0.000 0.932 447 Q CA -1.803 54.003 55.803 0.006 0.000 0.891 447 Q CB 0.950 29.692 28.738 0.007 0.000 1.222 447 Q HN 0.451 nan 8.270 nan 0.000 0.453 448 P HA 0.033 nan 4.420 nan 0.000 0.271 448 P C -0.990 176.291 177.300 -0.031 0.000 1.216 448 P CA -0.189 62.898 63.100 -0.022 0.000 0.771 448 P CB 0.817 32.496 31.700 -0.034 0.000 0.864 449 S N 2.919 118.604 115.700 -0.024 0.000 2.494 449 S HA 0.157 4.627 4.470 -0.000 0.000 0.312 449 S C 1.478 176.039 174.600 -0.066 0.000 1.121 449 S CA -0.505 57.681 58.200 -0.022 0.000 1.068 449 S CB -0.301 62.896 63.200 -0.004 0.000 1.141 449 S HN 0.384 nan 8.310 nan 0.000 0.527 450 L N 2.194 123.332 121.223 -0.143 0.000 2.298 450 L HA 0.164 4.504 4.340 -0.000 0.000 0.209 450 L C 0.619 177.379 176.870 -0.184 0.000 1.084 450 L CA 0.573 55.272 54.840 -0.234 0.000 0.816 450 L CB -0.188 41.641 42.059 -0.382 0.000 0.967 450 L HN 0.682 nan 8.230 nan 0.000 0.460 451 H N -4.287 114.715 119.070 -0.113 0.000 2.990 451 H HA 0.376 4.932 4.556 -0.000 0.000 0.343 451 H C 0.214 175.459 175.328 -0.138 0.000 1.270 451 H CA -1.870 54.097 56.048 -0.134 0.000 1.118 451 H CB 0.502 30.174 29.762 -0.150 0.000 1.861 451 H HN -0.292 nan 8.280 nan 0.000 0.544 452 K N -0.258 120.125 120.400 -0.029 0.000 2.081 452 K HA -0.293 4.027 4.320 -0.000 0.000 0.222 452 K C 1.505 178.003 176.600 -0.171 0.000 1.055 452 K CA 3.004 59.220 56.287 -0.118 0.000 0.954 452 K CB -0.433 31.970 32.500 -0.162 0.000 0.732 452 K HN 0.448 nan 8.250 nan 0.000 0.458 453 M N 0.508 119.905 119.600 -0.338 0.000 2.337 453 M HA -0.128 4.352 4.480 -0.000 0.000 0.261 453 M C 1.956 177.998 176.300 -0.430 0.000 1.067 453 M CA 1.267 56.307 55.300 -0.434 0.000 1.074 453 M CB -0.241 31.980 32.600 -0.631 0.000 1.395 453 M HN -0.036 nan 8.290 nan 0.000 0.431 454 S N -0.379 115.243 115.700 -0.130 0.000 2.555 454 S HA 0.168 4.638 4.470 -0.000 0.000 0.230 454 S C 0.576 175.200 174.600 0.040 0.000 0.978 454 S CA 0.660 58.827 58.200 -0.055 0.000 0.934 454 S CB -0.135 63.113 63.200 0.081 0.000 0.766 454 S HN 0.394 nan 8.310 nan 0.000 0.533 455 M N 1.305 120.889 119.600 -0.026 0.000 2.124 455 M HA 0.442 4.922 4.480 -0.000 0.000 0.280 455 M C -1.203 175.092 176.300 -0.007 0.000 0.954 455 M CA 0.174 55.516 55.300 0.071 0.000 0.958 455 M CB 1.945 34.562 32.600 0.028 0.000 1.611 455 M HN 0.049 nan 8.290 nan 0.000 0.449 456 M N 1.644 121.278 119.600 0.056 0.000 2.619 456 M HA 0.748 5.227 4.480 -0.000 0.000 0.297 456 M C -0.504 175.644 176.300 -0.253 0.000 1.229 456 M CA -0.883 54.335 55.300 -0.136 0.000 0.860 456 M CB 2.581 35.058 32.600 -0.205 0.000 1.741 456 M HN 0.701 nan 8.290 nan 0.000 0.462 457 A N 1.519 124.180 122.820 -0.265 0.000 2.276 457 A HA 0.605 4.925 4.320 -0.000 0.000 0.300 457 A C -0.938 176.465 177.584 -0.301 0.000 1.235 457 A CA -0.386 51.531 52.037 -0.202 0.000 0.867 457 A CB 0.063 19.003 19.000 -0.100 0.000 1.137 457 A HN 0.801 nan 8.150 nan 0.000 0.527 458 H N 1.336 120.416 119.070 0.017 0.000 2.710 458 H HA 0.426 4.982 4.556 -0.000 0.000 0.361 458 H C -0.425 174.867 175.328 -0.060 0.000 1.175 458 H CA -0.668 55.358 56.048 -0.036 0.000 1.206 458 H CB 1.349 31.047 29.762 -0.106 0.000 1.750 458 H HN 0.684 nan 8.280 nan 0.000 0.553 459 R N 0.887 121.436 120.500 0.081 0.000 2.254 459 R HA 0.308 4.648 4.340 -0.000 0.000 0.318 459 R C -0.341 175.943 176.300 -0.026 0.000 1.031 459 R CA -0.548 55.559 56.100 0.011 0.000 0.905 459 R CB 0.910 31.212 30.300 0.003 0.000 1.050 459 R HN 0.226 nan 8.270 nan 0.000 0.456 460 V N 3.539 123.434 119.914 -0.031 0.000 2.924 460 V HA 0.105 4.225 4.120 -0.000 0.000 0.305 460 V C 0.384 176.454 176.094 -0.041 0.000 1.073 460 V CA 0.187 62.457 62.300 -0.049 0.000 1.098 460 V CB 1.070 32.882 31.823 -0.018 0.000 1.000 460 V HN 0.678 nan 8.190 nan 0.000 0.484 461 K N 3.122 123.490 120.400 -0.053 0.000 2.761 461 K HA 0.359 4.678 4.320 -0.000 0.000 0.257 461 K C -1.370 175.205 176.600 -0.042 0.000 1.053 461 K CA -0.496 55.767 56.287 -0.039 0.000 1.035 461 K CB 1.612 34.084 32.500 -0.048 0.000 1.267 461 K HN 0.487 nan 8.250 nan 0.000 0.505 462 V N 5.849 125.743 119.914 -0.034 0.000 2.529 462 V HA 0.179 4.299 4.120 -0.000 0.000 0.292 462 V C 0.675 176.723 176.094 -0.077 0.000 1.028 462 V CA 0.024 62.277 62.300 -0.078 0.000 1.074 462 V CB -0.389 31.339 31.823 -0.158 0.000 0.958 462 V HN 0.644 nan 8.190 nan 0.000 0.481 463 I N 3.185 123.714 120.570 -0.069 0.000 3.343 463 I HA 0.830 5.000 4.170 -0.000 0.000 0.315 463 I C -2.706 173.386 176.117 -0.041 0.000 1.153 463 I CA -2.537 58.742 61.300 -0.035 0.000 0.952 463 I CB 2.310 40.309 38.000 -0.002 0.000 1.287 463 I HN 0.380 nan 8.210 nan 0.000 0.472 464 P HA 0.414 nan 4.420 nan 0.000 0.310 464 P C -1.552 175.799 177.300 0.085 0.000 1.309 464 P CA -0.356 62.712 63.100 -0.054 0.000 0.769 464 P CB 0.564 32.175 31.700 -0.148 0.000 1.327 465 Y N -3.015 117.237 120.300 -0.079 0.000 2.518 465 Y HA -0.208 4.342 4.550 -0.000 0.000 0.022 465 Y C 1.506 177.345 175.900 -0.103 0.000 1.713 465 Y CA 0.562 58.613 58.100 -0.081 0.000 1.411 465 Y CB -2.261 36.155 38.460 -0.073 0.000 2.057 465 Y HN 0.222 nan 8.280 nan 0.000 0.256 466 S N 0.086 115.808 115.700 0.037 0.000 2.805 466 S HA 0.073 4.543 4.470 -0.000 0.000 0.230 466 S C 0.451 174.971 174.600 -0.133 0.000 0.968 466 S CA 0.821 58.982 58.200 -0.066 0.000 0.976 466 S CB -0.703 62.456 63.200 -0.069 0.000 0.787 466 S HN 0.679 nan 8.310 nan 0.000 0.533 467 T N -1.498 112.997 114.554 -0.098 0.000 2.906 467 T HA 0.609 4.958 4.350 -0.000 0.000 0.295 467 T C -0.400 174.248 174.700 -0.085 0.000 1.061 467 T CA -0.852 61.153 62.100 -0.159 0.000 1.000 467 T CB 0.757 69.561 68.868 -0.107 0.000 1.103 467 T HN 0.081 nan 8.240 nan 0.000 0.486 468 F N 2.074 121.980 119.950 -0.072 0.000 2.502 468 F HA 0.305 4.832 4.527 -0.000 0.000 0.371 468 F C 1.491 177.184 175.800 -0.180 0.000 1.083 468 F CA -0.803 57.121 58.000 -0.126 0.000 1.174 468 F CB 0.652 39.635 39.000 -0.030 0.000 1.096 468 F HN 0.233 nan 8.300 nan 0.000 0.545 469 R N 6.106 126.591 120.500 -0.026 0.000 2.295 469 R HA 0.588 4.928 4.340 -0.000 0.000 0.324 469 R C -0.868 175.302 176.300 -0.217 0.000 0.968 469 R CA -0.855 55.161 56.100 -0.140 0.000 0.837 469 R CB 1.551 31.776 30.300 -0.124 0.000 1.133 469 R HN 0.624 nan 8.270 nan 0.000 0.450 470 L N -0.653 120.447 121.223 -0.205 0.000 2.301 470 L HA 0.604 4.944 4.340 -0.000 0.000 0.264 470 L C -0.072 176.740 176.870 -0.096 0.000 1.016 470 L CA -1.273 53.435 54.840 -0.220 0.000 0.821 470 L CB 1.409 43.360 42.059 -0.180 0.000 1.346 470 L HN 0.346 nan 8.230 nan 0.000 0.429 471 N N 0.429 119.085 118.700 -0.073 0.000 2.415 471 N HA 0.155 4.894 4.740 -0.000 0.000 0.248 471 N C 0.536 176.092 175.510 0.078 0.000 1.271 471 N CA 0.023 53.072 53.050 -0.001 0.000 0.913 471 N CB 1.229 39.707 38.487 -0.015 0.000 1.129 471 N HN 0.816 nan 8.380 nan 0.000 0.444 472 L N 1.308 122.596 121.223 0.109 0.000 2.095 472 L HA -0.021 4.319 4.340 -0.000 0.000 0.204 472 L C 2.327 179.269 176.870 0.120 0.000 1.080 472 L CA 0.809 55.746 54.840 0.162 0.000 0.759 472 L CB -0.430 41.721 42.059 0.154 0.000 0.914 472 L HN 0.486 nan 8.230 nan 0.000 0.439 473 S N -1.010 114.741 115.700 0.085 0.000 2.500 473 S HA -0.097 4.373 4.470 -0.000 0.000 0.239 473 S C 1.578 176.169 174.600 -0.016 0.000 0.989 473 S CA 0.828 59.064 58.200 0.060 0.000 0.951 473 S CB -0.055 63.206 63.200 0.103 0.000 0.759 473 S HN 0.248 nan 8.310 nan 0.000 0.523 474 V N 0.946 120.877 119.914 0.029 0.000 3.542 474 V HA 0.096 4.215 4.120 -0.000 0.000 0.296 474 V C 1.839 178.106 176.094 0.287 0.000 1.364 474 V CA 0.682 63.051 62.300 0.116 0.000 1.118 474 V CB -0.195 31.753 31.823 0.209 0.000 0.972 474 V HN 0.426 nan 8.190 nan 0.000 0.430 475 T N 0.317 114.999 114.554 0.213 0.000 2.770 475 T HA -0.150 4.200 4.350 -0.000 0.000 0.263 475 T C 2.195 177.010 174.700 0.193 0.000 1.039 475 T CA 2.165 64.406 62.100 0.235 0.000 1.142 475 T CB -0.130 68.820 68.868 0.138 0.000 0.868 475 T HN 0.812 nan 8.240 nan 0.000 0.435 476 S N 1.763 117.524 115.700 0.101 0.000 2.370 476 S HA -0.062 4.408 4.470 -0.000 0.000 0.226 476 S C -0.534 174.098 174.600 0.052 0.000 1.033 476 S CA 1.194 59.430 58.200 0.059 0.000 1.011 476 S CB -1.906 61.313 63.200 0.032 0.000 0.852 476 S HN 0.432 nan 8.310 nan 0.000 0.457 477 P HA -0.040 nan 4.420 nan 0.000 0.219 477 P C 0.592 177.815 177.300 -0.128 0.000 1.146 477 P CA 1.057 64.075 63.100 -0.138 0.000 0.808 477 P CB -0.189 31.314 31.700 -0.328 0.000 0.779 478 Y N -2.269 118.071 120.300 0.066 0.000 2.503 478 Y HA 0.175 4.725 4.550 -0.000 0.000 0.278 478 Y C 1.041 176.953 175.900 0.021 0.000 1.111 478 Y CA 0.279 58.405 58.100 0.044 0.000 1.270 478 Y CB -0.542 37.926 38.460 0.013 0.000 1.063 478 Y HN -0.081 nan 8.280 nan 0.000 0.548 479 N N -1.139 117.657 118.700 0.160 0.000 2.999 479 N HA -0.139 4.601 4.740 -0.000 0.000 0.242 479 N C -0.290 175.256 175.510 0.059 0.000 1.016 479 N CA -0.056 53.036 53.050 0.070 0.000 0.894 479 N CB -0.987 37.516 38.487 0.027 0.000 1.113 479 N HN 0.234 nan 8.380 nan 0.000 0.555 480 A N 1.188 124.074 122.820 0.110 0.000 2.450 480 A HA 0.411 4.731 4.320 -0.000 0.000 0.255 480 A C 0.085 177.635 177.584 -0.055 0.000 1.096 480 A CA 0.502 52.586 52.037 0.077 0.000 0.778 480 A CB 0.253 19.345 19.000 0.152 0.000 1.031 480 A HN 0.401 nan 8.150 nan 0.000 0.494 481 D N -0.188 120.161 120.400 -0.085 0.000 2.523 481 D HA 0.524 5.164 4.640 -0.000 0.000 0.236 481 D C -0.502 175.751 176.300 -0.078 0.000 1.094 481 D CA -0.613 53.205 54.000 -0.302 0.000 0.942 481 D CB 0.797 41.491 40.800 -0.177 0.000 1.447 481 D HN 0.342 nan 8.370 nan 0.000 0.479 482 F N -0.526 119.433 119.950 0.015 0.000 2.668 482 F HA 0.163 4.689 4.527 -0.000 0.000 0.297 482 F C 0.430 176.232 175.800 0.004 0.000 1.124 482 F CA -0.777 57.229 58.000 0.011 0.000 1.353 482 F CB 0.071 39.076 39.000 0.008 0.000 0.992 482 F HN 0.246 nan 8.300 nan 0.000 0.524 483 D N -0.216 120.250 120.400 0.111 0.000 2.346 483 D HA 0.214 4.854 4.640 -0.000 0.000 0.248 483 D C 1.510 177.848 176.300 0.062 0.000 1.173 483 D CA 0.439 54.478 54.000 0.065 0.000 0.878 483 D CB 0.018 40.830 40.800 0.019 0.000 0.919 483 D HN 0.327 nan 8.370 nan 0.000 0.513 484 G N -0.186 108.669 108.800 0.091 0.000 2.145 484 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.145 484 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.145 484 G C -0.622 174.316 174.900 0.063 0.000 1.017 484 G CA -0.649 44.488 45.100 0.063 0.000 0.682 484 G HN 0.255 nan 8.290 nan 0.000 0.504 485 D N 0.893 121.350 120.400 0.095 0.000 2.341 485 D HA 0.451 5.091 4.640 -0.000 0.000 0.245 485 D C 0.614 176.962 176.300 0.080 0.000 1.106 485 D CA 0.344 54.392 54.000 0.079 0.000 0.905 485 D CB 1.011 41.865 40.800 0.089 0.000 1.202 485 D HN 0.495 nan 8.370 nan 0.000 0.426 486 E N 0.998 121.231 120.200 0.054 0.000 2.222 486 E HA 0.566 4.916 4.350 -0.000 0.000 0.267 486 E C -0.234 176.392 176.600 0.044 0.000 0.963 486 E CA -0.678 55.758 56.400 0.059 0.000 0.837 486 E CB 2.072 31.794 29.700 0.035 0.000 1.183 486 E HN 0.259 nan 8.360 nan 0.000 0.403 487 M N 1.561 121.214 119.600 0.088 0.000 2.484 487 M HA 0.359 4.839 4.480 -0.000 0.000 0.289 487 M C -1.302 175.025 176.300 0.044 0.000 1.206 487 M CA -1.027 54.226 55.300 -0.077 0.000 0.892 487 M CB 2.199 34.563 32.600 -0.392 0.000 1.712 487 M HN 0.387 nan 8.290 nan 0.000 0.462 488 N N 1.671 120.304 118.700 -0.112 0.000 2.466 488 N HA 0.737 5.477 4.740 -0.000 0.000 0.294 488 N C -1.473 173.992 175.510 -0.075 0.000 1.129 488 N CA -0.548 52.481 53.050 -0.035 0.000 0.931 488 N CB 1.565 40.005 38.487 -0.079 0.000 1.193 488 N HN 0.456 nan 8.380 nan 0.000 0.500 489 L N 1.421 122.603 121.223 -0.068 0.000 2.386 489 L HA 0.443 4.783 4.340 -0.000 0.000 0.271 489 L C -1.193 175.547 176.870 -0.217 0.000 0.993 489 L CA -0.455 54.364 54.840 -0.035 0.000 0.819 489 L CB 1.080 43.108 42.059 -0.051 0.000 1.294 489 L HN 0.527 nan 8.230 nan 0.000 0.414 490 H N 4.005 123.153 119.070 0.129 0.000 2.538 490 H HA 0.593 5.149 4.556 -0.000 0.000 0.353 490 H C -1.157 174.252 175.328 0.134 0.000 1.109 490 H CA -0.608 55.518 56.048 0.131 0.000 1.192 490 H CB 2.371 32.191 29.762 0.098 0.000 1.555 490 H HN 0.372 nan 8.280 nan 0.000 0.518 491 V N 6.028 126.110 119.914 0.279 0.000 2.384 491 V HA 0.179 4.299 4.120 -0.000 0.000 0.287 491 V C -1.741 174.470 176.094 0.194 0.000 1.020 491 V CA -1.564 60.876 62.300 0.233 0.000 0.850 491 V CB 1.578 33.574 31.823 0.288 0.000 0.987 491 V HN 0.655 nan 8.190 nan 0.000 0.436 492 P HA -0.011 nan 4.420 nan 0.000 0.271 492 P C -0.466 176.912 177.300 0.130 0.000 1.233 492 P CA 0.283 63.452 63.100 0.114 0.000 0.795 492 P CB 1.386 33.151 31.700 0.108 0.000 0.936 493 Q N -0.798 119.025 119.800 0.039 0.000 2.279 493 Q HA 0.152 4.492 4.340 -0.000 0.000 0.261 493 Q C 0.786 176.698 176.000 -0.147 0.000 0.796 493 Q CA 0.248 55.966 55.803 -0.142 0.000 0.971 493 Q CB 0.271 28.803 28.738 -0.342 0.000 1.179 493 Q HN 0.513 nan 8.270 nan 0.000 0.505 494 S N -0.724 114.971 115.700 -0.007 0.000 2.722 494 S HA 0.292 4.762 4.470 -0.000 0.000 0.292 494 S C 0.778 175.460 174.600 0.137 0.000 1.135 494 S CA -0.314 57.890 58.200 0.006 0.000 1.003 494 S CB 1.303 64.495 63.200 -0.013 0.000 1.067 494 S HN 0.173 nan 8.310 nan 0.000 0.546 495 E N 1.156 121.427 120.200 0.119 0.000 2.152 495 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 495 E C 1.733 178.387 176.600 0.089 0.000 0.983 495 E CA 1.972 58.459 56.400 0.145 0.000 0.818 495 E CB -0.110 29.657 29.700 0.112 0.000 0.758 495 E HN 0.809 nan 8.360 nan 0.000 0.467 496 E N -1.607 118.630 120.200 0.061 0.000 2.318 496 E HA -0.029 4.321 4.350 -0.000 0.000 0.193 496 E C 1.720 178.341 176.600 0.035 0.000 0.998 496 E CA 0.987 57.414 56.400 0.044 0.000 0.859 496 E CB -0.227 29.495 29.700 0.036 0.000 0.812 496 E HN -0.002 nan 8.360 nan 0.000 0.492 497 T N 1.594 116.170 114.554 0.038 0.000 2.708 497 T HA -0.152 4.198 4.350 -0.000 0.000 0.266 497 T C 1.842 176.561 174.700 0.031 0.000 1.037 497 T CA 1.984 64.100 62.100 0.026 0.000 1.146 497 T CB -0.171 68.713 68.868 0.027 0.000 0.865 497 T HN 0.374 nan 8.240 nan 0.000 0.435 498 R N 1.694 122.225 120.500 0.052 0.000 2.081 498 R HA 0.119 4.459 4.340 -0.000 0.000 0.235 498 R C 2.644 178.951 176.300 0.012 0.000 1.131 498 R CA 1.343 57.459 56.100 0.027 0.000 0.960 498 R CB -0.840 29.467 30.300 0.011 0.000 0.856 498 R HN 0.292 nan 8.270 nan 0.000 0.436 499 A N 1.768 124.600 122.820 0.020 0.000 1.903 499 A HA -0.300 4.020 4.320 -0.000 0.000 0.219 499 A C 2.165 179.753 177.584 0.007 0.000 1.191 499 A CA 1.973 54.019 52.037 0.015 0.000 0.638 499 A CB -0.687 18.329 19.000 0.027 0.000 0.823 499 A HN 0.571 nan 8.150 nan 0.000 0.451 500 E N -0.478 119.726 120.200 0.007 0.000 2.130 500 E HA -0.192 4.158 4.350 -0.000 0.000 0.196 500 E C 1.905 178.495 176.600 -0.018 0.000 0.998 500 E CA 1.474 57.871 56.400 -0.005 0.000 0.806 500 E CB -0.215 29.479 29.700 -0.010 0.000 0.738 500 E HN 0.696 nan 8.360 nan 0.000 0.459 501 L N -0.049 121.165 121.223 -0.015 0.000 2.068 501 L HA -0.112 4.228 4.340 -0.000 0.000 0.204 501 L C 2.715 179.565 176.870 -0.033 0.000 1.076 501 L CA 1.148 55.972 54.840 -0.026 0.000 0.753 501 L CB -0.617 41.432 42.059 -0.015 0.000 0.910 501 L HN 0.190 nan 8.230 nan 0.000 0.439 502 S N -0.716 114.969 115.700 -0.024 0.000 2.368 502 S HA -0.193 4.277 4.470 -0.000 0.000 0.225 502 S C 1.963 176.548 174.600 -0.025 0.000 1.030 502 S CA 0.868 59.054 58.200 -0.025 0.000 0.999 502 S CB -0.265 62.925 63.200 -0.018 0.000 0.844 502 S HN 0.358 nan 8.310 nan 0.000 0.459 503 Q N 0.438 120.226 119.800 -0.019 0.000 2.165 503 Q HA 0.342 4.682 4.340 -0.000 0.000 0.197 503 Q C 2.137 178.117 176.000 -0.033 0.000 0.952 503 Q CA 0.661 56.453 55.803 -0.019 0.000 0.848 503 Q CB -0.642 28.092 28.738 -0.006 0.000 0.931 503 Q HN 0.452 nan 8.270 nan 0.000 0.470 504 L N -0.421 120.779 121.223 -0.039 0.000 2.145 504 L HA -0.011 4.329 4.340 -0.000 0.000 0.201 504 L C 1.358 178.185 176.870 -0.071 0.000 1.075 504 L CA 1.110 55.916 54.840 -0.057 0.000 0.773 504 L CB -0.074 41.953 42.059 -0.054 0.000 0.936 504 L HN 0.250 nan 8.230 nan 0.000 0.451 505 C N -1.370 117.887 119.300 -0.070 0.000 2.624 505 C HA 0.822 5.282 4.460 -0.000 0.000 0.263 505 C C 0.709 175.637 174.990 -0.103 0.000 1.587 505 C CA -1.621 57.344 59.018 -0.089 0.000 1.718 505 C CB -1.555 26.132 27.740 -0.088 0.000 3.050 505 C HN 0.245 nan 8.230 nan 0.000 0.517 506 A N 0.837 123.603 122.820 -0.091 0.000 2.327 506 A HA 0.584 4.904 4.320 -0.000 0.000 0.283 506 A C 1.209 178.728 177.584 -0.109 0.000 1.127 506 A CA -0.119 51.858 52.037 -0.100 0.000 0.810 506 A CB 0.490 19.453 19.000 -0.062 0.000 1.066 506 A HN 0.488 nan 8.150 nan 0.000 0.492 507 V N 3.128 122.964 119.914 -0.130 0.000 2.252 507 V HA -0.259 3.861 4.120 -0.000 0.000 0.255 507 V C -0.365 175.676 176.094 -0.089 0.000 1.071 507 V CA 2.914 65.151 62.300 -0.104 0.000 1.050 507 V CB -1.827 29.981 31.823 -0.024 0.000 0.654 507 V HN 0.835 nan 8.190 nan 0.000 0.448 508 P HA -0.181 nan 4.420 nan 0.000 0.216 508 P C 1.807 179.082 177.300 -0.041 0.000 1.154 508 P CA 1.596 64.675 63.100 -0.035 0.000 0.865 508 P CB -0.083 31.610 31.700 -0.012 0.000 0.789 509 L N -1.260 119.928 121.223 -0.057 0.000 2.007 509 L HA -0.151 4.189 4.340 -0.000 0.000 0.205 509 L C 2.382 179.197 176.870 -0.091 0.000 1.073 509 L CA 1.206 56.006 54.840 -0.066 0.000 0.744 509 L CB -1.338 40.680 42.059 -0.069 0.000 0.898 509 L HN -0.126 nan 8.230 nan 0.000 0.435 510 Q N 0.324 120.056 119.800 -0.114 0.000 2.528 510 Q HA -0.175 4.164 4.340 -0.000 0.000 0.217 510 Q C 2.110 178.023 176.000 -0.144 0.000 0.988 510 Q CA 1.191 56.907 55.803 -0.145 0.000 0.900 510 Q CB -0.599 28.032 28.738 -0.179 0.000 0.947 510 Q HN 0.599 nan 8.270 nan 0.000 0.502 511 I N -0.398 120.107 120.570 -0.108 0.000 2.087 511 I HA -0.239 3.931 4.170 -0.000 0.000 0.240 511 I C 0.782 176.842 176.117 -0.094 0.000 1.054 511 I CA 1.081 62.336 61.300 -0.075 0.000 1.311 511 I CB -0.107 37.895 38.000 0.004 0.000 1.024 511 I HN -0.084 nan 8.210 nan 0.000 0.402 512 V N 1.873 121.711 119.914 -0.127 0.000 2.304 512 V HA 0.111 4.231 4.120 -0.000 0.000 0.269 512 V C 0.275 176.263 176.094 -0.177 0.000 1.036 512 V CA -0.311 61.872 62.300 -0.195 0.000 0.840 512 V CB 0.996 32.665 31.823 -0.257 0.000 1.036 512 V HN 0.318 nan 8.190 nan 0.000 0.466 513 S N 8.183 123.783 115.700 -0.167 0.000 2.545 513 S HA 0.348 4.818 4.470 -0.000 0.000 0.275 513 S C -0.868 173.676 174.600 -0.094 0.000 1.299 513 S CA -1.078 57.036 58.200 -0.144 0.000 1.048 513 S CB 1.385 64.480 63.200 -0.174 0.000 0.938 513 S HN 0.613 nan 8.310 nan 0.000 0.496 514 P HA -0.092 nan 4.420 nan 0.000 0.233 514 P C 1.154 178.532 177.300 0.131 0.000 1.167 514 P CA 0.563 63.691 63.100 0.047 0.000 0.770 514 P CB 0.114 31.863 31.700 0.082 0.000 0.837 515 Q N 1.590 121.397 119.800 0.010 0.000 2.181 515 Q HA -0.107 4.233 4.340 -0.000 0.000 0.205 515 Q C 0.661 176.644 176.000 -0.029 0.000 0.980 515 Q CA 1.875 57.664 55.803 -0.022 0.000 0.862 515 Q CB -0.037 28.630 28.738 -0.117 0.000 0.905 515 Q HN 0.279 nan 8.270 nan 0.000 0.429 516 S N -0.529 115.113 115.700 -0.097 0.000 2.828 516 S HA 0.109 4.579 4.470 -0.000 0.000 0.240 516 S C -0.453 174.102 174.600 -0.077 0.000 0.912 516 S CA -0.131 57.928 58.200 -0.235 0.000 1.100 516 S CB -0.684 62.363 63.200 -0.255 0.000 1.271 516 S HN 0.578 nan 8.310 nan 0.000 0.476 517 N N 1.736 120.429 118.700 -0.011 0.000 2.704 517 N HA -0.301 4.439 4.740 -0.000 0.000 0.259 517 N C -0.443 175.119 175.510 0.085 0.000 0.957 517 N CA 1.846 54.932 53.050 0.060 0.000 0.804 517 N CB -1.622 36.949 38.487 0.140 0.000 0.917 517 N HN 0.979 nan 8.380 nan 0.000 0.545 518 K N -2.169 118.198 120.400 -0.056 0.000 2.575 518 K HA 0.510 4.830 4.320 -0.000 0.000 0.279 518 K C -3.372 173.074 176.600 -0.256 0.000 0.969 518 K CA -1.912 54.283 56.287 -0.152 0.000 0.868 518 K CB 2.476 34.998 32.500 0.037 0.000 1.457 518 K HN -0.093 nan 8.250 nan 0.000 0.426 519 P HA 0.034 nan 4.420 nan 0.000 0.269 519 P C 0.590 177.835 177.300 -0.092 0.000 1.209 519 P CA -0.361 62.621 63.100 -0.197 0.000 0.776 519 P CB 0.575 32.190 31.700 -0.142 0.000 0.876 520 C N 1.697 120.949 119.300 -0.080 0.000 2.881 520 C HA 0.608 5.068 4.460 -0.000 0.000 0.290 520 C C 0.179 175.149 174.990 -0.034 0.000 1.362 520 C CA -0.558 58.416 59.018 -0.073 0.000 1.757 520 C CB -1.590 26.066 27.740 -0.142 0.000 2.265 520 C HN 0.415 nan 8.230 nan 0.000 0.600 521 M N 0.619 120.243 119.600 0.040 0.000 2.465 521 M HA 0.675 5.155 4.480 -0.000 0.000 0.284 521 M C -0.117 176.365 176.300 0.304 0.000 1.212 521 M CA 0.126 55.485 55.300 0.099 0.000 0.910 521 M CB 2.203 34.782 32.600 -0.035 0.000 1.725 521 M HN 0.303 nan 8.290 nan 0.000 0.477 522 G N 1.335 110.332 108.800 0.328 0.000 2.815 522 G HA2 0.707 4.667 3.960 -0.000 0.000 0.305 522 G HA3 0.707 4.667 3.960 -0.000 0.000 0.305 522 G C -1.574 173.486 174.900 0.268 0.000 1.277 522 G CA -0.712 44.564 45.100 0.294 0.000 0.795 522 G HN 0.505 nan 8.290 nan 0.000 0.528 523 I N 1.023 121.645 120.570 0.087 0.000 2.474 523 I HA 0.521 4.690 4.170 -0.000 0.000 0.287 523 I C 0.256 176.403 176.117 0.050 0.000 1.048 523 I CA -0.203 61.137 61.300 0.068 0.000 1.383 523 I CB 0.628 38.618 38.000 -0.017 0.000 1.412 523 I HN 0.174 nan 8.210 nan 0.000 0.531 524 V N 4.666 124.610 119.914 0.050 0.000 3.182 524 V HA 0.409 4.529 4.120 -0.000 0.000 0.308 524 V C 0.303 176.400 176.094 0.005 0.000 1.240 524 V CA -0.793 61.522 62.300 0.024 0.000 1.063 524 V CB 1.569 33.412 31.823 0.033 0.000 1.076 524 V HN 0.870 nan 8.190 nan 0.000 0.446 525 Q N -0.203 119.591 119.800 -0.011 0.000 2.179 525 Q HA -0.358 3.981 4.340 -0.000 0.000 0.439 525 Q C 1.081 177.055 176.000 -0.042 0.000 0.717 525 Q CA 2.231 58.021 55.803 -0.022 0.000 0.885 525 Q CB -1.124 27.611 28.738 -0.006 0.000 3.233 525 Q HN 0.991 nan 8.270 nan 0.000 0.899 526 D N 0.056 120.439 120.400 -0.028 0.000 2.286 526 D HA -0.153 4.487 4.640 -0.000 0.000 0.197 526 D C 1.961 178.228 176.300 -0.055 0.000 1.015 526 D CA 2.599 56.571 54.000 -0.046 0.000 0.871 526 D CB -0.782 40.010 40.800 -0.013 0.000 1.044 526 D HN 0.582 nan 8.370 nan 0.000 0.459 527 T N 0.631 115.170 114.554 -0.025 0.000 2.718 527 T HA -0.241 4.109 4.350 -0.000 0.000 0.266 527 T C 1.862 176.533 174.700 -0.048 0.000 1.033 527 T CA 1.320 63.405 62.100 -0.026 0.000 1.151 527 T CB -0.456 68.411 68.868 -0.002 0.000 0.853 527 T HN 0.062 nan 8.240 nan 0.000 0.466 528 L N 0.664 121.857 121.223 -0.050 0.000 1.993 528 L HA 0.030 4.370 4.340 -0.000 0.000 0.206 528 L C 2.785 179.594 176.870 -0.100 0.000 1.074 528 L CA 1.685 56.486 54.840 -0.065 0.000 0.746 528 L CB -1.191 40.840 42.059 -0.048 0.000 0.896 528 L HN 0.428 nan 8.230 nan 0.000 0.435 529 C N 0.185 119.402 119.300 -0.138 0.000 2.403 529 C HA -0.120 4.340 4.460 -0.000 0.000 0.279 529 C C 2.716 177.568 174.990 -0.230 0.000 1.269 529 C CA 1.051 59.929 59.018 -0.233 0.000 1.774 529 C CB -1.772 25.739 27.740 -0.383 0.000 1.993 529 C HN 0.739 nan 8.230 nan 0.000 0.496 530 G N -0.409 108.300 108.800 -0.153 0.000 2.411 530 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.213 530 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.213 530 G C 1.559 176.410 174.900 -0.081 0.000 1.166 530 G CA 0.684 45.758 45.100 -0.043 0.000 0.802 530 G HN 0.603 nan 8.290 nan 0.000 0.533 531 I N 0.509 121.011 120.570 -0.114 0.000 2.530 531 I HA -0.112 4.058 4.170 -0.000 0.000 0.257 531 I C 2.705 178.712 176.117 -0.185 0.000 1.179 531 I CA 1.044 62.246 61.300 -0.164 0.000 1.440 531 I CB -0.010 37.913 38.000 -0.128 0.000 1.087 531 I HN 0.194 nan 8.210 nan 0.000 0.440 532 R N 1.119 121.534 120.500 -0.142 0.000 2.055 532 R HA -0.168 4.172 4.340 -0.000 0.000 0.228 532 R C 2.232 178.451 176.300 -0.136 0.000 1.143 532 R CA 1.449 57.477 56.100 -0.119 0.000 0.945 532 R CB -0.221 30.031 30.300 -0.080 0.000 0.841 532 R HN 0.233 nan 8.270 nan 0.000 0.429 533 K N 0.653 120.991 120.400 -0.103 0.000 2.074 533 K HA -0.188 4.132 4.320 -0.000 0.000 0.209 533 K C 2.160 178.569 176.600 -0.318 0.000 1.048 533 K CA 1.566 57.822 56.287 -0.051 0.000 0.926 533 K CB -0.406 32.206 32.500 0.188 0.000 0.713 533 K HN 0.170 nan 8.250 nan 0.000 0.444 534 L N 1.386 122.162 121.223 -0.745 0.000 2.127 534 L HA -0.194 4.146 4.340 -0.000 0.000 0.211 534 L C 2.010 178.538 176.870 -0.571 0.000 1.089 534 L CA 1.850 55.983 54.840 -1.179 0.000 0.757 534 L CB -0.509 40.870 42.059 -1.134 0.000 0.899 534 L HN 0.095 nan 8.230 nan 0.000 0.434 535 T N 0.016 114.354 114.554 -0.359 0.000 2.851 535 T HA 0.054 4.404 4.350 -0.000 0.000 0.262 535 T C 0.846 175.446 174.700 -0.167 0.000 1.043 535 T CA 0.188 62.146 62.100 -0.236 0.000 1.140 535 T CB -0.373 68.387 68.868 -0.180 0.000 0.872 535 T HN 0.195 nan 8.240 nan 0.000 0.446 536 L N 2.630 123.785 121.223 -0.113 0.000 2.795 536 L HA -0.125 4.215 4.340 -0.000 0.000 0.290 536 L C 1.688 178.524 176.870 -0.056 0.000 1.206 536 L CA -0.032 54.778 54.840 -0.050 0.000 0.919 536 L CB 0.094 42.155 42.059 0.002 0.000 1.227 536 L HN 0.204 nan 8.230 nan 0.000 0.483 537 R N 1.792 122.270 120.500 -0.036 0.000 2.165 537 R HA -0.264 4.076 4.340 -0.000 0.000 0.254 537 R C 1.593 177.922 176.300 0.047 0.000 1.153 537 R CA 2.064 58.141 56.100 -0.039 0.000 0.971 537 R CB -0.310 30.009 30.300 0.031 0.000 0.878 537 R HN 0.709 nan 8.270 nan 0.000 0.449 538 D N 0.193 120.672 120.400 0.130 0.000 2.203 538 D HA -0.096 4.544 4.640 -0.000 0.000 0.199 538 D C -0.066 176.444 176.300 0.349 0.000 0.997 538 D CA 1.210 55.352 54.000 0.237 0.000 0.863 538 D CB -0.057 40.831 40.800 0.148 0.000 0.928 538 D HN 0.271 nan 8.370 nan 0.000 0.458 539 T N -0.406 114.256 114.554 0.181 0.000 2.771 539 T HA 0.455 4.805 4.350 -0.000 0.000 0.291 539 T C -0.179 174.568 174.700 0.079 0.000 0.954 539 T CA -0.609 61.618 62.100 0.212 0.000 1.045 539 T CB 0.781 69.725 68.868 0.127 0.000 0.917 539 T HN -0.172 nan 8.240 nan 0.000 0.484 540 F N 1.546 121.574 119.950 0.130 0.000 2.563 540 F HA 0.653 5.180 4.527 -0.000 0.000 0.316 540 F C 0.023 175.946 175.800 0.204 0.000 1.076 540 F CA -1.652 56.431 58.000 0.138 0.000 0.921 540 F CB 1.602 40.661 39.000 0.098 0.000 1.209 540 F HN 0.418 nan 8.300 nan 0.000 0.462 541 I N 2.004 122.812 120.570 0.397 0.000 2.465 541 I HA 0.318 4.488 4.170 -0.000 0.000 0.291 541 I C -0.688 175.696 176.117 0.445 0.000 1.014 541 I CA -0.836 60.692 61.300 0.379 0.000 1.093 541 I CB 2.048 40.247 38.000 0.331 0.000 1.267 541 I HN 0.619 nan 8.210 nan 0.000 0.431 542 E N 5.398 125.806 120.200 0.347 0.000 2.266 542 E HA 0.165 4.515 4.350 -0.000 0.000 0.277 542 E C 0.740 177.507 176.600 0.278 0.000 1.018 542 E CA -0.746 55.874 56.400 0.368 0.000 0.840 542 E CB 1.902 31.742 29.700 0.234 0.000 1.082 542 E HN 0.433 nan 8.360 nan 0.000 0.395 543 L N 3.348 124.799 121.223 0.381 0.000 2.107 543 L HA -0.394 3.946 4.340 -0.000 0.000 0.240 543 L C 2.045 178.884 176.870 -0.052 0.000 1.115 543 L CA 2.988 57.851 54.840 0.039 0.000 0.840 543 L CB -0.973 41.232 42.059 0.243 0.000 0.935 543 L HN 0.984 nan 8.230 nan 0.000 0.449 544 D N -1.162 119.261 120.400 0.039 0.000 2.170 544 D HA -0.354 4.286 4.640 -0.000 0.000 0.193 544 D C 1.942 178.258 176.300 0.027 0.000 1.004 544 D CA 2.364 56.380 54.000 0.025 0.000 0.860 544 D CB -0.522 40.304 40.800 0.043 0.000 0.931 544 D HN 0.788 nan 8.370 nan 0.000 0.448 545 Q N 0.345 120.178 119.800 0.054 0.000 2.089 545 Q HA -0.029 4.311 4.340 -0.000 0.000 0.195 545 Q C 2.430 178.469 176.000 0.065 0.000 0.963 545 Q CA 1.001 56.875 55.803 0.119 0.000 0.834 545 Q CB 0.001 28.829 28.738 0.149 0.000 0.906 545 Q HN 0.148 nan 8.270 nan 0.000 0.452 546 V N 1.394 121.262 119.914 -0.076 0.000 2.453 546 V HA -0.281 3.839 4.120 -0.000 0.000 0.252 546 V C 2.263 178.148 176.094 -0.349 0.000 1.068 546 V CA 1.465 63.594 62.300 -0.285 0.000 1.070 546 V CB -0.558 30.800 31.823 -0.775 0.000 0.664 546 V HN 0.469 nan 8.190 nan 0.000 0.461 547 L N -0.170 120.886 121.223 -0.280 0.000 2.275 547 L HA -0.100 4.240 4.340 -0.000 0.000 0.215 547 L C 2.318 179.092 176.870 -0.160 0.000 1.119 547 L CA 1.147 55.834 54.840 -0.254 0.000 0.790 547 L CB -0.564 41.403 42.059 -0.153 0.000 0.919 547 L HN 0.464 nan 8.230 nan 0.000 0.443 548 N N -0.111 118.571 118.700 -0.030 0.000 2.197 548 N HA -0.068 4.671 4.740 -0.000 0.000 0.184 548 N C 1.929 177.439 175.510 0.000 0.000 1.030 548 N CA 1.020 54.101 53.050 0.052 0.000 0.851 548 N CB -0.103 38.504 38.487 0.201 0.000 1.003 548 N HN 0.208 nan 8.380 nan 0.000 0.430 549 M N 0.995 120.626 119.600 0.051 0.000 2.088 549 M HA -0.202 4.278 4.480 -0.000 0.000 0.256 549 M C 2.235 178.460 176.300 -0.125 0.000 1.071 549 M CA 1.467 56.786 55.300 0.031 0.000 1.097 549 M CB -1.045 31.601 32.600 0.077 0.000 1.315 549 M HN 0.093 nan 8.290 nan 0.000 0.406 550 L N -0.998 120.012 121.223 -0.355 0.000 1.971 550 L HA -0.287 4.053 4.340 -0.000 0.000 0.215 550 L C 2.719 179.311 176.870 -0.462 0.000 1.072 550 L CA 1.813 56.187 54.840 -0.777 0.000 0.758 550 L CB -1.017 40.157 42.059 -1.475 0.000 0.889 550 L HN 0.185 nan 8.230 nan 0.000 0.433 551 Y N -0.661 119.410 120.300 -0.380 0.000 2.114 551 Y HA -0.322 4.228 4.550 -0.000 0.000 0.282 551 Y C 2.239 178.117 175.900 -0.037 0.000 1.165 551 Y CA 1.241 59.304 58.100 -0.061 0.000 1.148 551 Y CB -0.893 37.516 38.460 -0.085 0.000 0.972 551 Y HN 0.134 nan 8.280 nan 0.000 0.504 552 W N -0.037 121.125 121.300 -0.231 0.000 2.359 552 W HA -0.128 4.532 4.660 -0.000 0.000 0.275 552 W C 0.591 176.981 176.519 -0.216 0.000 1.217 552 W CA 1.141 58.289 57.345 -0.329 0.000 1.196 552 W CB -0.274 28.948 29.460 -0.396 0.000 1.129 552 W HN -0.294 nan 8.180 nan 0.000 0.566 553 V N 3.968 123.947 119.914 0.108 0.000 2.387 553 V HA -0.015 4.105 4.120 -0.000 0.000 0.260 553 V C -0.765 175.386 176.094 0.095 0.000 1.054 553 V CA -0.869 61.496 62.300 0.109 0.000 0.967 553 V CB 0.807 32.689 31.823 0.098 0.000 1.036 553 V HN -0.073 nan 8.190 nan 0.000 0.481 554 P HA -0.127 nan 4.420 nan 0.000 0.226 554 P C 0.373 177.704 177.300 0.052 0.000 1.146 554 P CA 1.106 64.205 63.100 -0.001 0.000 0.773 554 P CB 0.580 32.272 31.700 -0.013 0.000 0.772 555 D N -1.902 118.561 120.400 0.104 0.000 2.414 555 D HA -0.023 4.617 4.640 -0.000 0.000 0.237 555 D C 0.550 176.941 176.300 0.151 0.000 0.975 555 D CA -0.163 53.897 54.000 0.100 0.000 0.917 555 D CB -1.029 39.827 40.800 0.092 0.000 1.061 555 D HN 0.052 nan 8.370 nan 0.000 0.480 556 W N 4.976 126.287 121.300 0.017 0.000 2.473 556 W HA -0.206 4.454 4.660 -0.000 0.000 0.323 556 W C 0.641 177.178 176.519 0.030 0.000 0.735 556 W CA 0.104 57.466 57.345 0.029 0.000 0.712 556 W CB -0.059 29.429 29.460 0.047 0.000 0.959 556 W HN 0.104 nan 8.180 nan 0.000 0.511 557 D N 4.568 124.748 120.400 -0.368 0.000 2.348 557 D HA 0.063 4.703 4.640 -0.000 0.000 0.248 557 D C 1.535 177.332 176.300 -0.838 0.000 1.142 557 D CA 0.561 54.296 54.000 -0.441 0.000 0.904 557 D CB -0.747 39.935 40.800 -0.196 0.000 0.901 557 D HN 0.866 nan 8.370 nan 0.000 0.523 558 G N 0.013 107.665 108.800 -1.913 0.000 2.305 558 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.287 558 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.287 558 G C 0.008 174.296 174.900 -1.020 0.000 1.036 558 G CA 0.283 44.127 45.100 -2.095 0.000 0.887 558 G HN 0.394 nan 8.290 nan 0.000 0.505 559 V N 1.735 121.299 119.914 -0.583 0.000 2.305 559 V HA 0.340 4.459 4.120 -0.000 0.000 0.275 559 V C 0.903 177.315 176.094 0.530 0.000 1.020 559 V CA -0.958 61.398 62.300 0.093 0.000 0.811 559 V CB 1.228 33.078 31.823 0.044 0.000 1.031 559 V HN 0.373 nan 8.190 nan 0.000 0.439 560 I N 8.140 129.017 120.570 0.512 0.000 2.752 560 I HA 0.101 4.271 4.170 -0.000 0.000 0.286 560 I C -1.532 174.767 176.117 0.303 0.000 1.180 560 I CA -0.701 60.824 61.300 0.375 0.000 1.404 560 I CB 0.703 38.856 38.000 0.255 0.000 1.389 560 I HN 0.413 nan 8.210 nan 0.000 0.549 561 P HA 0.156 nan 4.420 nan 0.000 0.290 561 P C -0.590 176.966 177.300 0.427 0.000 1.276 561 P CA -0.474 62.802 63.100 0.293 0.000 0.808 561 P CB 0.727 32.570 31.700 0.238 0.000 0.966 562 T N 3.523 118.242 114.554 0.276 0.000 2.819 562 T HA 0.057 4.407 4.350 -0.000 0.000 0.282 562 T C -2.103 172.635 174.700 0.064 0.000 1.013 562 T CA -0.683 61.528 62.100 0.185 0.000 1.159 562 T CB -1.209 67.708 68.868 0.081 0.000 1.007 562 T HN 0.356 nan 8.240 nan 0.000 0.514 563 P HA 0.227 nan 4.420 nan 0.000 0.267 563 P C 0.575 177.632 177.300 -0.405 0.000 1.200 563 P CA -0.304 62.226 63.100 -0.949 0.000 0.772 563 P CB 0.388 31.292 31.700 -1.327 0.000 0.855 564 A N 3.520 126.152 122.820 -0.312 0.000 1.968 564 A HA -0.002 4.318 4.320 -0.000 0.000 0.217 564 A C 1.045 178.565 177.584 -0.107 0.000 1.169 564 A CA 1.078 53.040 52.037 -0.125 0.000 0.638 564 A CB -0.563 18.401 19.000 -0.060 0.000 0.812 564 A HN 0.539 nan 8.150 nan 0.000 0.446 565 I N 0.594 121.073 120.570 -0.153 0.000 2.354 565 I HA 0.255 4.425 4.170 -0.000 0.000 0.286 565 I C 0.407 176.409 176.117 -0.192 0.000 1.007 565 I CA -0.247 60.990 61.300 -0.105 0.000 1.167 565 I CB 1.487 39.479 38.000 -0.013 0.000 1.320 565 I HN 0.243 nan 8.210 nan 0.000 0.458 566 I N 5.807 126.296 120.570 -0.136 0.000 2.681 566 I HA -0.086 4.084 4.170 -0.000 0.000 0.247 566 I C 1.839 177.906 176.117 -0.084 0.000 1.091 566 I CA 0.089 61.313 61.300 -0.126 0.000 1.442 566 I CB -0.306 37.643 38.000 -0.084 0.000 1.219 566 I HN 0.571 nan 8.210 nan 0.000 0.451 567 K N 2.354 122.717 120.400 -0.062 0.000 2.606 567 K HA -0.254 4.066 4.320 -0.000 0.000 0.103 567 K C -0.993 175.582 176.600 -0.041 0.000 0.676 567 K CA 1.623 57.883 56.287 -0.046 0.000 0.840 567 K CB -2.783 29.689 32.500 -0.045 0.000 0.261 567 K HN 0.117 nan 8.250 nan 0.000 1.066 568 P HA -0.189 nan 4.420 nan 0.000 0.210 568 P C 0.015 177.299 177.300 -0.027 0.000 1.189 568 P CA 1.546 64.627 63.100 -0.031 0.000 0.920 568 P CB 0.021 31.700 31.700 -0.035 0.000 0.782 569 K N 1.121 121.500 120.400 -0.036 0.000 2.265 569 K HA 0.317 4.637 4.320 -0.000 0.000 0.267 569 K C -2.465 174.104 176.600 -0.051 0.000 0.994 569 K CA -2.699 53.576 56.287 -0.020 0.000 0.860 569 K CB 1.551 34.048 32.500 -0.006 0.000 1.099 569 K HN -0.041 nan 8.250 nan 0.000 0.448 570 P HA 0.037 nan 4.420 nan 0.000 0.270 570 P C -1.119 176.024 177.300 -0.262 0.000 1.242 570 P CA -0.319 62.652 63.100 -0.216 0.000 0.768 570 P CB 0.673 32.276 31.700 -0.162 0.000 0.820 571 L N 4.794 125.807 121.223 -0.350 0.000 2.323 571 L HA 0.614 4.954 4.340 -0.000 0.000 0.265 571 L C -0.388 176.301 176.870 -0.302 0.000 1.012 571 L CA -0.679 54.106 54.840 -0.092 0.000 0.820 571 L CB 1.494 43.650 42.059 0.162 0.000 1.334 571 L HN 0.437 nan 8.230 nan 0.000 0.427 572 W N 0.761 122.156 121.300 0.159 0.000 2.844 572 W HA 0.563 5.223 4.660 -0.000 0.000 0.340 572 W C -0.406 176.097 176.519 -0.027 0.000 1.093 572 W CA -0.697 56.686 57.345 0.062 0.000 1.212 572 W CB 2.319 31.803 29.460 0.040 0.000 1.422 572 W HN 0.509 nan 8.180 nan 0.000 0.515 573 S N -0.161 115.547 115.700 0.013 0.000 2.565 573 S HA 0.483 4.953 4.470 -0.000 0.000 0.290 573 S C 0.975 175.479 174.600 -0.159 0.000 1.150 573 S CA -0.090 57.951 58.200 -0.266 0.000 1.058 573 S CB 1.897 64.844 63.200 -0.423 0.000 1.032 573 S HN 0.655 nan 8.310 nan 0.000 0.510 574 G N 2.208 110.864 108.800 -0.239 0.000 2.599 574 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.219 574 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.219 574 G C 1.258 176.024 174.900 -0.224 0.000 1.193 574 G CA 1.089 46.019 45.100 -0.283 0.000 0.778 574 G HN 0.797 nan 8.290 nan 0.000 0.589 575 K N 0.175 120.455 120.400 -0.199 0.000 2.034 575 K HA -0.226 4.094 4.320 -0.000 0.000 0.214 575 K C 2.523 179.061 176.600 -0.103 0.000 1.051 575 K CA 1.623 57.821 56.287 -0.148 0.000 0.931 575 K CB -0.510 31.915 32.500 -0.126 0.000 0.715 575 K HN 0.441 nan 8.250 nan 0.000 0.446 576 Q N 0.550 120.307 119.800 -0.072 0.000 1.867 576 Q HA -0.237 4.103 4.340 -0.000 0.000 0.243 576 Q C 2.368 178.366 176.000 -0.003 0.000 1.036 576 Q CA 2.462 58.264 55.803 -0.001 0.000 0.889 576 Q CB -0.537 28.251 28.738 0.083 0.000 0.983 576 Q HN 0.548 nan 8.270 nan 0.000 0.418 577 I N -1.141 119.427 120.570 -0.003 0.000 2.248 577 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 577 I C 2.353 178.427 176.117 -0.072 0.000 1.107 577 I CA 1.266 62.536 61.300 -0.050 0.000 1.373 577 I CB -0.537 37.412 38.000 -0.084 0.000 1.055 577 I HN 0.233 nan 8.210 nan 0.000 0.418 578 L N 1.777 122.940 121.223 -0.101 0.000 2.081 578 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 578 L C 2.406 179.231 176.870 -0.075 0.000 1.080 578 L CA 2.159 56.933 54.840 -0.109 0.000 0.754 578 L CB -0.865 41.103 42.059 -0.151 0.000 0.893 578 L HN 0.304 nan 8.230 nan 0.000 0.433 579 S N -1.304 114.359 115.700 -0.062 0.000 2.547 579 S HA -0.051 4.419 4.470 -0.000 0.000 0.235 579 S C 1.763 176.357 174.600 -0.010 0.000 0.980 579 S CA 0.883 59.058 58.200 -0.042 0.000 0.941 579 S CB -0.357 62.820 63.200 -0.038 0.000 0.763 579 S HN 0.373 nan 8.310 nan 0.000 0.532 580 V N 1.170 121.081 119.914 -0.005 0.000 3.141 580 V HA -0.011 4.108 4.120 -0.000 0.000 0.265 580 V C 2.284 178.402 176.094 0.039 0.000 1.126 580 V CA 1.301 63.621 62.300 0.033 0.000 1.141 580 V CB -0.937 30.887 31.823 0.002 0.000 0.743 580 V HN 0.549 nan 8.190 nan 0.000 0.492 581 A N 0.123 122.946 122.820 0.005 0.000 1.984 581 A HA 0.247 4.567 4.320 -0.000 0.000 0.214 581 A C 1.155 178.739 177.584 -0.000 0.000 1.173 581 A CA 0.242 52.283 52.037 0.007 0.000 0.673 581 A CB -0.138 18.851 19.000 -0.017 0.000 0.830 581 A HN 0.496 nan 8.150 nan 0.000 0.453 582 I N 2.729 123.289 120.570 -0.017 0.000 2.436 582 I HA 0.170 4.340 4.170 -0.000 0.000 0.289 582 I C -1.979 174.137 176.117 -0.002 0.000 1.083 582 I CA -1.937 59.349 61.300 -0.023 0.000 1.372 582 I CB 0.402 38.377 38.000 -0.043 0.000 1.408 582 I HN 0.151 nan 8.210 nan 0.000 0.516 583 P HA -0.028 nan 4.420 nan 0.000 0.273 583 P C -0.761 176.548 177.300 0.016 0.000 1.252 583 P CA -0.081 63.030 63.100 0.018 0.000 0.809 583 P CB 0.499 32.211 31.700 0.020 0.000 1.017 584 N N -1.217 117.496 118.700 0.022 0.000 2.434 584 N HA 0.308 5.048 4.740 -0.000 0.000 0.266 584 N C 1.402 176.927 175.510 0.026 0.000 1.223 584 N CA 0.369 53.431 53.050 0.021 0.000 0.972 584 N CB -0.056 38.445 38.487 0.022 0.000 1.207 584 N HN 0.789 nan 8.380 nan 0.000 0.525 585 G N -0.605 108.213 108.800 0.030 0.000 2.184 585 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.264 585 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.264 585 G C -0.095 174.845 174.900 0.065 0.000 0.975 585 G CA -0.150 44.979 45.100 0.048 0.000 0.642 585 G HN 0.483 nan 8.290 nan 0.000 0.536 586 I N 1.915 122.511 120.570 0.044 0.000 2.322 586 I HA 0.313 4.483 4.170 -0.000 0.000 0.292 586 I C 0.324 176.476 176.117 0.057 0.000 1.060 586 I CA -0.429 60.898 61.300 0.044 0.000 1.309 586 I CB 0.608 38.614 38.000 0.010 0.000 1.415 586 I HN 0.142 nan 8.210 nan 0.000 0.492 587 H N 7.376 126.442 119.070 -0.006 0.000 2.524 587 H HA 0.662 5.218 4.556 -0.000 0.000 0.353 587 H C -1.600 173.715 175.328 -0.020 0.000 1.136 587 H CA -0.769 55.274 56.048 -0.008 0.000 1.193 587 H CB 2.339 32.106 29.762 0.009 0.000 1.558 587 H HN 0.424 nan 8.280 nan 0.000 0.515 588 L N 3.656 124.992 121.223 0.188 0.000 2.526 588 L HA 0.325 4.665 4.340 -0.000 0.000 0.263 588 L C -1.500 175.415 176.870 0.074 0.000 0.943 588 L CA -0.204 54.705 54.840 0.115 0.000 0.859 588 L CB 2.111 44.162 42.059 -0.012 0.000 1.313 588 L HN 0.697 nan 8.230 nan 0.000 0.406 589 Q N 2.729 122.592 119.800 0.106 0.000 2.347 589 Q HA 0.537 4.877 4.340 -0.000 0.000 0.271 589 Q C -0.646 175.417 176.000 0.106 0.000 1.064 589 Q CA -0.570 55.291 55.803 0.098 0.000 0.800 589 Q CB 2.690 31.574 28.738 0.245 0.000 1.304 589 Q HN 0.724 nan 8.270 nan 0.000 0.438 590 R N 2.105 122.636 120.500 0.050 0.000 1.850 590 R HA 0.422 4.762 4.340 -0.000 0.000 0.152 590 R C -0.941 175.561 176.300 0.337 0.000 2.001 590 R CA 0.601 56.762 56.100 0.102 0.000 1.578 590 R CB 0.494 30.773 30.300 -0.036 0.000 1.261 590 R HN 0.621 nan 8.270 nan 0.000 0.478 591 F N 1.231 121.202 119.950 0.034 0.000 2.230 591 F HA -0.195 4.332 4.527 -0.000 0.000 0.506 591 F C -0.060 175.766 175.800 0.044 0.000 1.263 591 F CA 0.306 58.346 58.000 0.066 0.000 1.618 591 F CB -1.203 37.835 39.000 0.063 0.000 2.557 591 F HN 0.360 nan 8.300 nan 0.000 0.733 592 D N 0.999 121.480 120.400 0.136 0.000 1.913 592 D HA -0.015 4.625 4.640 -0.000 0.000 0.280 592 D C 1.627 177.991 176.300 0.108 0.000 1.012 592 D CA 1.140 55.198 54.000 0.097 0.000 0.892 592 D CB 0.112 40.944 40.800 0.052 0.000 1.119 592 D HN 0.658 nan 8.370 nan 0.000 0.434 593 E N -0.415 119.834 120.200 0.082 0.000 2.611 593 E HA 0.217 4.567 4.350 -0.000 0.000 0.284 593 E C 1.296 177.949 176.600 0.088 0.000 0.800 593 E CA 0.117 56.561 56.400 0.073 0.000 1.264 593 E CB -0.299 29.429 29.700 0.047 0.000 1.735 593 E HN 0.221 nan 8.360 nan 0.000 0.526 594 G N 1.210 110.049 108.800 0.064 0.000 3.337 594 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.226 594 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.226 594 G C -0.293 174.648 174.900 0.068 0.000 1.295 594 G CA 0.151 45.286 45.100 0.059 0.000 1.427 594 G HN 0.104 nan 8.290 nan 0.000 0.535 595 T N 0.647 115.271 114.554 0.116 0.000 2.919 595 T HA 0.408 4.758 4.350 -0.000 0.000 0.302 595 T C 1.032 175.829 174.700 0.162 0.000 1.031 595 T CA 0.677 62.840 62.100 0.104 0.000 1.127 595 T CB 1.203 70.138 68.868 0.113 0.000 0.952 595 T HN 0.375 nan 8.240 nan 0.000 0.540 596 T N -0.353 114.223 114.554 0.037 0.000 4.242 596 T HA 0.266 4.616 4.350 -0.000 0.000 0.288 596 T C 0.596 175.290 174.700 -0.010 0.000 0.931 596 T CA -0.636 61.521 62.100 0.095 0.000 1.071 596 T CB -0.925 67.957 68.868 0.024 0.000 1.054 596 T HN 0.388 nan 8.240 nan 0.000 0.481 597 L N -0.685 120.519 121.223 -0.033 0.000 4.605 597 L HA -0.195 4.145 4.340 -0.000 0.000 0.441 597 L C 0.908 177.542 176.870 -0.393 0.000 1.115 597 L CA 1.526 56.326 54.840 -0.067 0.000 0.959 597 L CB -1.311 40.827 42.059 0.132 0.000 1.867 597 L HN 0.613 nan 8.230 nan 0.000 0.980 598 L N -1.238 119.665 121.223 -0.534 0.000 3.902 598 L HA 0.293 4.632 4.340 -0.000 0.000 0.375 598 L C 0.888 177.470 176.870 -0.479 0.000 1.252 598 L CA 0.692 55.243 54.840 -0.481 0.000 1.221 598 L CB 0.360 42.289 42.059 -0.216 0.000 1.484 598 L HN 0.237 nan 8.230 nan 0.000 0.620 599 S N 1.042 116.400 115.700 -0.570 0.000 4.359 599 S HA -0.079 4.391 4.470 -0.000 0.000 0.523 599 S C -1.035 173.449 174.600 -0.192 0.000 0.950 599 S CA 0.185 58.214 58.200 -0.286 0.000 1.346 599 S CB -0.485 62.631 63.200 -0.140 0.000 0.952 599 S HN 0.485 nan 8.310 nan 0.000 0.516 600 P HA -0.078 nan 4.420 nan 0.000 0.217 600 P C 0.830 178.112 177.300 -0.030 0.000 1.154 600 P CA 1.080 64.141 63.100 -0.065 0.000 0.841 600 P CB 0.045 31.720 31.700 -0.043 0.000 0.788 601 K N -0.610 119.782 120.400 -0.014 0.000 2.504 601 K HA -0.058 4.262 4.320 -0.000 0.000 0.195 601 K C 0.128 176.738 176.600 0.017 0.000 1.036 601 K CA 0.500 56.791 56.287 0.007 0.000 0.984 601 K CB -0.665 31.845 32.500 0.016 0.000 0.788 601 K HN 0.001 nan 8.250 nan 0.000 0.488 602 D N 0.886 121.296 120.400 0.016 0.000 3.026 602 D HA -0.118 4.522 4.640 -0.000 0.000 0.248 602 D C -0.983 175.363 176.300 0.077 0.000 1.100 602 D CA 0.355 54.391 54.000 0.060 0.000 0.855 602 D CB -1.176 39.647 40.800 0.038 0.000 1.011 602 D HN 0.153 nan 8.370 nan 0.000 0.423 603 N N -0.236 118.527 118.700 0.105 0.000 2.681 603 N HA 0.773 5.513 4.740 -0.000 0.000 0.311 603 N C 1.469 177.019 175.510 0.067 0.000 1.303 603 N CA 0.370 53.466 53.050 0.075 0.000 0.926 603 N CB 0.059 38.581 38.487 0.059 0.000 1.136 603 N HN 0.407 nan 8.380 nan 0.000 0.592 604 G N 0.425 109.227 108.800 0.004 0.000 2.684 604 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.342 604 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.342 604 G C -0.213 174.586 174.900 -0.168 0.000 1.316 604 G CA 1.522 46.577 45.100 -0.075 0.000 0.994 604 G HN 0.728 nan 8.290 nan 0.000 0.541 605 M N -1.865 117.524 119.600 -0.351 0.000 2.394 605 M HA 0.582 5.062 4.480 -0.000 0.000 0.246 605 M C -2.207 173.740 176.300 -0.588 0.000 0.967 605 M CA -0.493 54.545 55.300 -0.437 0.000 0.835 605 M CB 1.405 33.867 32.600 -0.230 0.000 2.169 605 M HN 1.373 nan 8.290 nan 0.000 0.479 606 L N 6.884 127.599 121.223 -0.846 0.000 2.377 606 L HA 0.798 5.138 4.340 -0.000 0.000 0.270 606 L C -1.934 174.679 176.870 -0.429 0.000 0.991 606 L CA -0.152 54.284 54.840 -0.673 0.000 0.851 606 L CB 1.161 42.632 42.059 -0.980 0.000 1.218 606 L HN 0.771 nan 8.230 nan 0.000 0.420 607 I N 5.966 126.349 120.570 -0.312 0.000 2.433 607 I HA 0.508 4.678 4.170 -0.000 0.000 0.292 607 I C -0.585 175.316 176.117 -0.359 0.000 1.001 607 I CA -0.537 60.609 61.300 -0.256 0.000 1.119 607 I CB 1.837 39.729 38.000 -0.180 0.000 1.289 607 I HN 0.460 nan 8.210 nan 0.000 0.438 608 I N 4.684 125.076 120.570 -0.297 0.000 2.582 608 I HA 0.237 4.407 4.170 -0.000 0.000 0.292 608 I C -0.051 175.973 176.117 -0.155 0.000 1.066 608 I CA -0.420 60.665 61.300 -0.359 0.000 1.053 608 I CB 1.866 39.696 38.000 -0.283 0.000 1.241 608 I HN 0.653 nan 8.210 nan 0.000 0.421 609 D N 4.550 124.895 120.400 -0.091 0.000 2.955 609 D HA -0.205 4.435 4.640 -0.000 0.000 0.226 609 D C 0.879 177.167 176.300 -0.019 0.000 1.178 609 D CA 1.796 55.788 54.000 -0.013 0.000 0.808 609 D CB -0.728 40.074 40.800 0.005 0.000 1.099 609 D HN 1.200 nan 8.370 nan 0.000 0.421 610 G N -0.776 107.998 108.800 -0.044 0.000 2.171 610 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.238 610 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.238 610 G C -0.378 174.496 174.900 -0.043 0.000 1.039 610 G CA 0.335 45.413 45.100 -0.036 0.000 0.759 610 G HN 0.480 nan 8.290 nan 0.000 0.501 611 Q N -0.463 119.296 119.800 -0.067 0.000 2.285 611 Q HA 0.448 4.788 4.340 -0.000 0.000 0.269 611 Q C 0.248 176.193 176.000 -0.092 0.000 1.030 611 Q CA -0.788 54.979 55.803 -0.060 0.000 0.788 611 Q CB 1.807 30.524 28.738 -0.034 0.000 1.266 611 Q HN 0.413 nan 8.270 nan 0.000 0.438 612 I N 3.824 124.339 120.570 -0.091 0.000 2.578 612 I HA -0.053 4.117 4.170 -0.000 0.000 0.286 612 I C 1.353 177.415 176.117 -0.092 0.000 1.126 612 I CA 0.377 61.607 61.300 -0.117 0.000 1.380 612 I CB 0.330 38.261 38.000 -0.114 0.000 1.408 612 I HN 0.623 nan 8.210 nan 0.000 0.532 613 I N 7.193 127.694 120.570 -0.115 0.000 2.585 613 I HA 0.017 4.187 4.170 -0.000 0.000 0.254 613 I C 0.162 176.346 176.117 0.112 0.000 1.129 613 I CA 0.688 61.980 61.300 -0.014 0.000 1.455 613 I CB 0.197 38.201 38.000 0.007 0.000 1.111 613 I HN 0.546 nan 8.210 nan 0.000 0.433 614 F N -0.406 119.487 119.950 -0.096 0.000 2.746 614 F HA 0.634 5.161 4.527 -0.000 0.000 0.311 614 F C -0.653 175.081 175.800 -0.110 0.000 1.135 614 F CA -0.809 57.132 58.000 -0.098 0.000 0.954 614 F CB 0.293 39.237 39.000 -0.094 0.000 1.276 614 F HN -0.014 nan 8.300 nan 0.000 0.440 615 G N 1.374 110.298 108.800 0.205 0.000 2.907 615 G HA2 0.301 4.261 3.960 -0.000 0.000 0.686 615 G HA3 0.301 4.261 3.960 -0.000 0.000 0.686 615 G C -1.184 173.693 174.900 -0.038 0.000 1.115 615 G CA -0.648 44.493 45.100 0.068 0.000 0.760 615 G HN 1.393 nan 8.290 nan 0.000 0.620 616 V N 1.408 121.305 119.914 -0.028 0.000 3.237 616 V HA 0.414 4.534 4.120 -0.000 0.000 0.305 616 V C 1.202 177.247 176.094 -0.082 0.000 1.096 616 V CA -0.359 61.906 62.300 -0.059 0.000 1.130 616 V CB 1.524 33.321 31.823 -0.042 0.000 1.048 616 V HN 0.956 nan 8.190 nan 0.000 0.484 617 V N 3.269 123.125 119.914 -0.097 0.000 2.357 617 V HA 0.626 4.746 4.120 -0.000 0.000 0.284 617 V C -0.205 175.835 176.094 -0.090 0.000 1.018 617 V CA -0.228 62.011 62.300 -0.102 0.000 0.841 617 V CB 1.189 32.939 31.823 -0.121 0.000 0.991 617 V HN 1.183 nan 8.190 nan 0.000 0.437 618 E N 2.872 123.029 120.200 -0.072 0.000 2.435 618 E HA 0.426 4.776 4.350 -0.000 0.000 0.272 618 E C 0.699 177.270 176.600 -0.048 0.000 1.031 618 E CA -0.900 55.464 56.400 -0.060 0.000 0.872 618 E CB 0.717 30.389 29.700 -0.046 0.000 1.588 618 E HN 0.117 nan 8.360 nan 0.000 0.460 619 K N 0.389 120.768 120.400 -0.036 0.000 2.128 619 K HA -0.363 3.957 4.320 -0.000 0.000 0.220 619 K C 1.329 177.917 176.600 -0.020 0.000 1.049 619 K CA 2.815 59.088 56.287 -0.023 0.000 0.948 619 K CB -0.296 32.197 32.500 -0.012 0.000 0.742 619 K HN 0.485 nan 8.250 nan 0.000 0.465 620 K N -0.877 119.513 120.400 -0.018 0.000 2.360 620 K HA -0.082 4.238 4.320 -0.000 0.000 0.201 620 K C 1.753 178.340 176.600 -0.022 0.000 1.046 620 K CA 1.593 57.873 56.287 -0.013 0.000 0.945 620 K CB 0.074 32.568 32.500 -0.009 0.000 0.750 620 K HN 0.303 nan 8.250 nan 0.000 0.464 621 T N -0.418 114.113 114.554 -0.039 0.000 3.056 621 T HA 0.018 4.368 4.350 -0.000 0.000 0.241 621 T C 1.396 176.059 174.700 -0.062 0.000 1.006 621 T CA 0.176 62.244 62.100 -0.054 0.000 1.115 621 T CB 0.412 69.234 68.868 -0.077 0.000 0.939 621 T HN 0.002 nan 8.240 nan 0.000 0.462 622 V N 1.774 121.646 119.914 -0.070 0.000 3.214 622 V HA 0.555 4.675 4.120 -0.000 0.000 0.330 622 V C 0.769 176.816 176.094 -0.077 0.000 1.403 622 V CA -0.080 62.163 62.300 -0.094 0.000 1.143 622 V CB -0.359 31.398 31.823 -0.110 0.000 1.098 622 V HN 0.467 nan 8.190 nan 0.000 0.463 623 G N 0.196 108.972 108.800 -0.040 0.000 2.606 623 G HA2 0.332 4.292 3.960 -0.000 0.000 0.262 623 G HA3 0.332 4.292 3.960 -0.000 0.000 0.262 623 G C 0.559 175.462 174.900 0.005 0.000 1.394 623 G CA 0.365 45.458 45.100 -0.011 0.000 1.044 623 G HN 0.588 nan 8.290 nan 0.000 0.553 624 S N -0.430 115.286 115.700 0.027 0.000 2.699 624 S HA 0.303 4.773 4.470 -0.000 0.000 0.251 624 S C 0.838 175.457 174.600 0.031 0.000 1.179 624 S CA 0.105 58.324 58.200 0.032 0.000 1.200 624 S CB -0.843 62.378 63.200 0.034 0.000 0.848 624 S HN 0.861 nan 8.310 nan 0.000 0.472 625 S N 0.897 116.618 115.700 0.036 0.000 2.614 625 S HA 0.292 4.762 4.470 -0.000 0.000 0.265 625 S C 1.113 175.774 174.600 0.101 0.000 1.303 625 S CA -0.720 57.511 58.200 0.051 0.000 1.000 625 S CB 0.564 63.784 63.200 0.033 0.000 0.935 625 S HN 0.385 nan 8.310 nan 0.000 0.551 626 N N 1.523 120.293 118.700 0.116 0.000 2.039 626 N HA -0.091 4.649 4.740 -0.000 0.000 0.193 626 N C 1.796 177.413 175.510 0.177 0.000 1.044 626 N CA 1.695 54.865 53.050 0.199 0.000 0.847 626 N CB -1.063 37.497 38.487 0.121 0.000 1.030 626 N HN 0.869 nan 8.380 nan 0.000 0.422 627 G N -0.046 108.791 108.800 0.062 0.000 2.776 627 G HA2 0.038 3.998 3.960 -0.000 0.000 0.209 627 G HA3 0.038 3.998 3.960 -0.000 0.000 0.209 627 G C 0.685 175.601 174.900 0.026 0.000 1.145 627 G CA 0.427 45.529 45.100 0.004 0.000 0.791 627 G HN 0.502 nan 8.290 nan 0.000 0.530 628 G N 0.306 109.156 108.800 0.083 0.000 2.886 628 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.276 628 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.276 628 G C 0.981 175.899 174.900 0.030 0.000 0.382 628 G CA 0.034 45.175 45.100 0.068 0.000 1.168 628 G HN 0.282 nan 8.290 nan 0.000 0.205 629 L N 3.060 124.268 121.223 -0.025 0.000 2.131 629 L HA -0.059 4.281 4.340 -0.000 0.000 0.210 629 L C 2.507 179.348 176.870 -0.049 0.000 1.092 629 L CA 1.623 56.433 54.840 -0.050 0.000 0.759 629 L CB -0.571 41.434 42.059 -0.089 0.000 0.903 629 L HN 0.744 nan 8.230 nan 0.000 0.435 630 I N -0.590 119.940 120.570 -0.067 0.000 2.133 630 I HA -0.309 3.861 4.170 -0.000 0.000 0.238 630 I C 2.586 178.728 176.117 0.042 0.000 1.074 630 I CA 1.087 62.338 61.300 -0.082 0.000 1.342 630 I CB -0.595 37.322 38.000 -0.139 0.000 1.053 630 I HN 0.348 nan 8.210 nan 0.000 0.404 631 H N 0.904 119.957 119.070 -0.029 0.000 2.431 631 H HA -0.161 4.395 4.556 -0.000 0.000 0.297 631 H C 2.015 177.336 175.328 -0.011 0.000 1.115 631 H CA 1.924 57.966 56.048 -0.010 0.000 1.277 631 H CB -0.179 29.581 29.762 -0.003 0.000 1.372 631 H HN 0.124 nan 8.280 nan 0.000 0.516 632 V N -0.507 119.488 119.914 0.136 0.000 2.273 632 V HA -0.168 3.952 4.120 -0.000 0.000 0.242 632 V C 2.911 179.038 176.094 0.054 0.000 1.035 632 V CA 1.231 63.564 62.300 0.055 0.000 1.013 632 V CB -0.832 31.001 31.823 0.017 0.000 0.652 632 V HN 0.212 nan 8.190 nan 0.000 0.452 633 V N 0.568 120.501 119.914 0.031 0.000 2.278 633 V HA -0.345 3.775 4.120 -0.000 0.000 0.251 633 V C 2.577 178.695 176.094 0.040 0.000 1.062 633 V CA 2.807 65.120 62.300 0.021 0.000 1.038 633 V CB -1.459 30.357 31.823 -0.013 0.000 0.646 633 V HN 0.644 nan 8.190 nan 0.000 0.447 634 T N -0.321 114.265 114.554 0.054 0.000 2.595 634 T HA -0.223 4.127 4.350 -0.000 0.000 0.264 634 T C 2.127 176.857 174.700 0.052 0.000 1.058 634 T CA 1.555 63.688 62.100 0.056 0.000 1.166 634 T CB -0.319 68.579 68.868 0.050 0.000 0.863 634 T HN 0.254 nan 8.240 nan 0.000 0.415 635 R N 0.739 121.285 120.500 0.078 0.000 2.083 635 R HA -0.061 4.279 4.340 -0.000 0.000 0.237 635 R C 2.509 178.839 176.300 0.050 0.000 1.137 635 R CA 1.568 57.707 56.100 0.065 0.000 0.951 635 R CB -0.691 29.664 30.300 0.092 0.000 0.851 635 R HN 0.409 nan 8.270 nan 0.000 0.434 636 E N 0.372 120.601 120.200 0.048 0.000 2.072 636 E HA -0.099 4.251 4.350 -0.000 0.000 0.191 636 E C 1.345 177.970 176.600 0.043 0.000 0.985 636 E CA 1.361 57.786 56.400 0.042 0.000 0.801 636 E CB 0.226 29.951 29.700 0.042 0.000 0.750 636 E HN -0.000 nan 8.360 nan 0.000 0.452 637 K N -1.129 119.295 120.400 0.041 0.000 2.360 637 K HA 0.329 4.649 4.320 -0.000 0.000 0.196 637 K C 0.170 176.793 176.600 0.039 0.000 1.049 637 K CA 0.669 56.980 56.287 0.039 0.000 1.049 637 K CB 1.403 33.925 32.500 0.036 0.000 0.881 637 K HN 0.180 nan 8.250 nan 0.000 0.542 638 G N 2.083 110.907 108.800 0.039 0.000 2.484 638 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.685 638 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.685 638 G C -2.423 172.499 174.900 0.037 0.000 1.294 638 G CA -0.540 44.581 45.100 0.036 0.000 0.879 638 G HN -0.203 nan 8.290 nan 0.000 0.646 639 P HA -0.150 nan 4.420 nan 0.000 0.218 639 P C 1.349 178.676 177.300 0.045 0.000 1.148 639 P CA 1.377 64.494 63.100 0.028 0.000 0.822 639 P CB 0.197 31.900 31.700 0.005 0.000 0.784 640 Q N 0.086 119.908 119.800 0.038 0.000 1.990 640 Q HA -0.069 4.271 4.340 -0.000 0.000 0.200 640 Q C 2.512 178.545 176.000 0.055 0.000 0.980 640 Q CA 1.056 56.883 55.803 0.040 0.000 0.832 640 Q CB -1.627 27.129 28.738 0.030 0.000 0.897 640 Q HN 0.142 nan 8.270 nan 0.000 0.427 641 V N 0.877 120.821 119.914 0.050 0.000 2.255 641 V HA -0.317 3.803 4.120 -0.000 0.000 0.247 641 V C 2.608 178.744 176.094 0.071 0.000 1.051 641 V CA 1.893 64.224 62.300 0.052 0.000 1.018 641 V CB -0.814 31.034 31.823 0.041 0.000 0.641 641 V HN 0.529 nan 8.190 nan 0.000 0.445 642 C N 0.295 119.643 119.300 0.080 0.000 2.393 642 C HA -0.230 4.230 4.460 -0.000 0.000 0.276 642 C C 3.106 178.239 174.990 0.237 0.000 1.215 642 C CA 1.152 60.238 59.018 0.114 0.000 1.743 642 C CB -1.386 26.433 27.740 0.131 0.000 2.044 642 C HN 0.624 nan 8.230 nan 0.000 0.464 643 A N -0.103 122.848 122.820 0.219 0.000 1.903 643 A HA -0.307 4.013 4.320 -0.000 0.000 0.219 643 A C 2.289 180.012 177.584 0.232 0.000 1.191 643 A CA 2.382 54.554 52.037 0.224 0.000 0.638 643 A CB -0.837 18.218 19.000 0.091 0.000 0.823 643 A HN 0.796 nan 8.150 nan 0.000 0.451 644 K N -1.050 119.441 120.400 0.151 0.000 2.365 644 K HA 0.003 4.322 4.320 -0.000 0.000 0.199 644 K C 1.726 178.403 176.600 0.128 0.000 1.045 644 K CA 0.724 57.084 56.287 0.122 0.000 0.962 644 K CB -0.161 32.386 32.500 0.078 0.000 0.759 644 K HN 0.370 nan 8.250 nan 0.000 0.469 645 L N 0.477 121.773 121.223 0.122 0.000 2.056 645 L HA -0.040 4.299 4.340 -0.000 0.000 0.207 645 L C 1.495 178.383 176.870 0.031 0.000 1.078 645 L CA 1.613 56.472 54.840 0.032 0.000 0.749 645 L CB -0.553 41.469 42.059 -0.061 0.000 0.901 645 L HN 0.078 nan 8.230 nan 0.000 0.433 646 F N 0.229 120.187 119.950 0.014 0.000 2.091 646 F HA -0.167 4.360 4.527 -0.000 0.000 0.299 646 F C 2.437 178.248 175.800 0.018 0.000 1.103 646 F CA 1.725 59.733 58.000 0.014 0.000 1.228 646 F CB -1.433 37.579 39.000 0.020 0.000 0.984 646 F HN 0.222 nan 8.300 nan 0.000 0.477 647 G N 0.093 109.039 108.800 0.243 0.000 2.739 647 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.216 647 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.216 647 G C 1.509 176.474 174.900 0.109 0.000 1.298 647 G CA 1.425 46.614 45.100 0.149 0.000 0.804 647 G HN 0.277 nan 8.290 nan 0.000 0.623 648 N N 0.939 119.693 118.700 0.090 0.000 2.023 648 N HA -0.166 4.574 4.740 -0.000 0.000 0.200 648 N C 2.228 177.760 175.510 0.036 0.000 1.048 648 N CA 1.644 54.735 53.050 0.069 0.000 0.872 648 N CB -0.707 37.814 38.487 0.056 0.000 1.070 648 N HN 0.452 nan 8.380 nan 0.000 0.441 649 I N 1.053 121.627 120.570 0.006 0.000 2.147 649 I HA -0.414 3.756 4.170 -0.000 0.000 0.245 649 I C 2.319 178.427 176.117 -0.016 0.000 1.059 649 I CA 1.564 62.847 61.300 -0.028 0.000 1.320 649 I CB -0.493 37.466 38.000 -0.068 0.000 1.021 649 I HN 0.306 nan 8.210 nan 0.000 0.415 650 Q N 0.882 120.692 119.800 0.017 0.000 1.942 650 Q HA -0.233 4.107 4.340 -0.000 0.000 0.203 650 Q C 2.254 178.235 176.000 -0.033 0.000 0.987 650 Q CA 1.595 57.405 55.803 0.013 0.000 0.844 650 Q CB -0.307 28.466 28.738 0.057 0.000 0.911 650 Q HN 0.456 nan 8.270 nan 0.000 0.423 651 K N 0.190 120.578 120.400 -0.020 0.000 2.228 651 K HA -0.185 4.135 4.320 -0.000 0.000 0.205 651 K C 2.010 178.465 176.600 -0.242 0.000 1.045 651 K CA 1.323 57.532 56.287 -0.129 0.000 0.931 651 K CB -0.157 32.431 32.500 0.147 0.000 0.727 651 K HN 0.063 nan 8.250 nan 0.000 0.458 652 V N 0.236 120.104 119.914 -0.076 0.000 2.278 652 V HA -0.180 3.940 4.120 -0.000 0.000 0.238 652 V C 2.227 178.332 176.094 0.018 0.000 1.039 652 V CA 1.254 63.537 62.300 -0.028 0.000 1.017 652 V CB -0.299 31.517 31.823 -0.012 0.000 0.657 652 V HN 0.014 nan 8.190 nan 0.000 0.462 653 V N 1.122 121.029 119.914 -0.012 0.000 2.287 653 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 653 V C 2.385 178.507 176.094 0.046 0.000 1.053 653 V CA 2.245 64.556 62.300 0.019 0.000 1.027 653 V CB -1.048 30.752 31.823 -0.038 0.000 0.646 653 V HN 0.566 nan 8.190 nan 0.000 0.447 654 N N -0.088 118.589 118.700 -0.037 0.000 2.094 654 N HA -0.230 4.510 4.740 -0.000 0.000 0.191 654 N C 1.706 177.126 175.510 -0.150 0.000 1.023 654 N CA 2.025 55.025 53.050 -0.083 0.000 0.857 654 N CB -0.558 37.858 38.487 -0.118 0.000 1.013 654 N HN 0.595 nan 8.380 nan 0.000 0.426 655 F N -0.081 119.645 119.950 -0.374 0.000 2.163 655 F HA -0.078 4.449 4.527 -0.000 0.000 0.297 655 F C 2.350 177.949 175.800 -0.335 0.000 1.094 655 F CA 0.924 58.619 58.000 -0.508 0.000 1.290 655 F CB -0.557 37.943 39.000 -0.832 0.000 1.017 655 F HN 0.103 nan 8.300 nan 0.000 0.483 656 W N 0.772 121.816 121.300 -0.426 0.000 2.355 656 W HA -0.194 4.466 4.660 -0.000 0.000 0.309 656 W C 2.036 178.345 176.519 -0.350 0.000 1.206 656 W CA 1.798 58.917 57.345 -0.377 0.000 1.284 656 W CB -0.593 28.789 29.460 -0.131 0.000 1.145 656 W HN 0.129 nan 8.180 nan 0.000 0.502 657 L N 0.979 122.197 121.223 -0.008 0.000 2.191 657 L HA -0.110 4.230 4.340 -0.000 0.000 0.212 657 L C 2.265 178.942 176.870 -0.323 0.000 1.103 657 L CA 1.811 56.571 54.840 -0.133 0.000 0.769 657 L CB -1.366 40.732 42.059 0.064 0.000 0.908 657 L HN 0.234 nan 8.230 nan 0.000 0.438 658 L N -0.991 119.961 121.223 -0.452 0.000 2.042 658 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 658 L C 2.356 178.961 176.870 -0.443 0.000 1.076 658 L CA 1.931 56.488 54.840 -0.472 0.000 0.749 658 L CB -0.775 40.891 42.059 -0.655 0.000 0.893 658 L HN 0.404 nan 8.230 nan 0.000 0.432 659 H N -1.728 117.059 119.070 -0.472 0.000 2.431 659 H HA 0.081 4.637 4.556 -0.000 0.000 0.295 659 H C 1.931 176.981 175.328 -0.463 0.000 1.038 659 H CA 1.162 56.944 56.048 -0.444 0.000 1.360 659 H CB -0.432 29.021 29.762 -0.515 0.000 1.433 659 H HN 0.422 nan 8.280 nan 0.000 0.536 660 N N 0.845 119.186 118.700 -0.598 0.000 2.396 660 N HA -0.024 4.716 4.740 -0.000 0.000 0.180 660 N C 0.595 175.929 175.510 -0.293 0.000 1.028 660 N CA 0.871 53.551 53.050 -0.617 0.000 0.893 660 N CB 0.340 38.036 38.487 -1.318 0.000 0.967 660 N HN 0.447 nan 8.380 nan 0.000 0.440 661 G N -0.722 107.949 108.800 -0.215 0.000 2.916 661 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.533 661 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.533 661 G C -0.683 174.274 174.900 0.095 0.000 1.516 661 G CA 0.083 45.146 45.100 -0.061 0.000 0.944 661 G HN 0.467 nan 8.290 nan 0.000 0.555 662 F N 0.016 119.928 119.950 -0.063 0.000 2.725 662 F HA 0.637 5.164 4.527 -0.000 0.000 0.311 662 F C -0.089 175.698 175.800 -0.021 0.000 1.121 662 F CA 0.555 58.538 58.000 -0.027 0.000 0.978 662 F CB 1.302 40.299 39.000 -0.005 0.000 1.274 662 F HN 1.518 nan 8.300 nan 0.000 0.440 663 S N 1.974 117.111 115.700 -0.938 0.000 2.930 663 S HA 0.841 5.311 4.470 -0.000 0.000 0.306 663 S C -1.538 172.693 174.600 -0.615 0.000 1.238 663 S CA 0.167 58.049 58.200 -0.531 0.000 1.000 663 S CB 1.511 64.555 63.200 -0.261 0.000 1.342 663 S HN 1.129 nan 8.310 nan 0.000 0.575 664 T N -0.647 113.736 114.554 -0.285 0.000 3.003 664 T HA 0.614 4.963 4.350 -0.000 0.000 0.354 664 T C -1.205 173.432 174.700 -0.105 0.000 1.651 664 T CA 0.242 62.229 62.100 -0.188 0.000 1.103 664 T CB 0.958 69.762 68.868 -0.107 0.000 1.450 664 T HN 1.707 nan 8.240 nan 0.000 0.484 665 G N 2.528 111.280 108.800 -0.078 0.000 2.503 665 G HA2 0.482 4.442 3.960 -0.000 0.000 0.305 665 G HA3 0.482 4.442 3.960 -0.000 0.000 0.305 665 G C 0.588 175.465 174.900 -0.038 0.000 1.575 665 G CA 0.058 45.126 45.100 -0.053 0.000 0.890 665 G HN 1.169 nan 8.290 nan 0.000 0.612 666 I N 0.870 121.425 120.570 -0.026 0.000 2.946 666 I HA -0.367 3.803 4.170 -0.000 0.000 0.220 666 I C 2.556 178.664 176.117 -0.015 0.000 0.832 666 I CA 2.794 64.084 61.300 -0.016 0.000 1.198 666 I CB -1.481 36.512 38.000 -0.012 0.000 0.936 666 I HN 0.991 nan 8.210 nan 0.000 0.370 667 G N 0.159 108.946 108.800 -0.021 0.000 2.550 667 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.222 667 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.222 667 G C 1.267 176.158 174.900 -0.016 0.000 1.113 667 G CA 1.395 46.484 45.100 -0.019 0.000 0.748 667 G HN 0.650 nan 8.290 nan 0.000 0.585 668 D N -0.146 120.242 120.400 -0.021 0.000 2.347 668 D HA -0.039 4.601 4.640 -0.000 0.000 0.215 668 D C 2.387 178.687 176.300 -0.001 0.000 0.976 668 D CA 1.393 55.385 54.000 -0.013 0.000 0.884 668 D CB 0.004 40.790 40.800 -0.024 0.000 0.915 668 D HN 0.524 nan 8.370 nan 0.000 0.526 669 T N -1.523 113.030 114.554 -0.001 0.000 3.086 669 T HA 0.223 4.573 4.350 -0.000 0.000 0.250 669 T C 1.022 175.728 174.700 0.009 0.000 1.074 669 T CA -0.253 61.852 62.100 0.007 0.000 0.988 669 T CB 0.106 68.981 68.868 0.010 0.000 0.988 669 T HN -0.015 nan 8.240 nan 0.000 0.530 670 I N 2.045 122.619 120.570 0.007 0.000 2.331 670 I HA 0.603 4.773 4.170 -0.000 0.000 0.292 670 I C 0.456 176.579 176.117 0.010 0.000 0.998 670 I CA -1.328 59.976 61.300 0.008 0.000 1.267 670 I CB 1.165 39.168 38.000 0.006 0.000 1.386 670 I HN 0.082 nan 8.210 nan 0.000 0.476 671 A N 4.292 127.119 122.820 0.011 0.000 2.366 671 A HA 0.179 4.499 4.320 -0.000 0.000 0.272 671 A C -0.057 177.536 177.584 0.015 0.000 1.135 671 A CA -0.429 51.617 52.037 0.014 0.000 0.804 671 A CB 0.267 19.276 19.000 0.014 0.000 1.064 671 A HN 0.818 nan 8.150 nan 0.000 0.499 672 D N 2.651 123.061 120.400 0.017 0.000 2.658 672 D HA 0.158 4.798 4.640 -0.000 0.000 0.230 672 D C 1.636 177.945 176.300 0.015 0.000 1.118 672 D CA 1.470 55.480 54.000 0.016 0.000 0.848 672 D CB 0.591 41.402 40.800 0.019 0.000 1.160 672 D HN 0.602 nan 8.370 nan 0.000 0.497 673 G N 4.791 113.599 108.800 0.013 0.000 2.830 673 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.230 673 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.230 673 G C -0.586 174.322 174.900 0.014 0.000 1.172 673 G CA 1.232 46.339 45.100 0.012 0.000 0.764 673 G HN 0.693 nan 8.290 nan 0.000 0.640 674 P HA 0.014 nan 4.420 nan 0.000 0.217 674 P C 1.781 179.093 177.300 0.019 0.000 1.154 674 P CA 1.793 64.902 63.100 0.016 0.000 0.841 674 P CB -0.303 31.406 31.700 0.016 0.000 0.790 675 T N -0.277 114.290 114.554 0.021 0.000 2.869 675 T HA -0.109 4.241 4.350 -0.000 0.000 0.270 675 T C 1.887 176.602 174.700 0.026 0.000 1.082 675 T CA 1.189 63.304 62.100 0.025 0.000 1.123 675 T CB -0.486 68.398 68.868 0.028 0.000 0.856 675 T HN 0.073 nan 8.240 nan 0.000 0.499 676 M N 0.029 119.642 119.600 0.022 0.000 2.191 676 M HA 0.028 4.508 4.480 -0.000 0.000 0.262 676 M C 2.640 178.953 176.300 0.022 0.000 1.083 676 M CA 1.010 56.323 55.300 0.021 0.000 1.154 676 M CB -0.209 32.401 32.600 0.016 0.000 1.344 676 M HN 0.020 nan 8.290 nan 0.000 0.431 677 R N 1.232 121.744 120.500 0.020 0.000 2.113 677 R HA -0.264 4.076 4.340 -0.000 0.000 0.244 677 R C 1.640 177.953 176.300 0.022 0.000 1.142 677 R CA 2.422 58.533 56.100 0.020 0.000 0.953 677 R CB -0.891 29.419 30.300 0.017 0.000 0.860 677 R HN 0.566 nan 8.270 nan 0.000 0.438 678 E N 0.098 120.312 120.200 0.023 0.000 2.160 678 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 678 E C 2.087 178.705 176.600 0.030 0.000 0.991 678 E CA 1.483 57.898 56.400 0.024 0.000 0.810 678 E CB -0.125 29.590 29.700 0.025 0.000 0.742 678 E HN 0.569 nan 8.360 nan 0.000 0.466 679 I N 0.710 121.300 120.570 0.033 0.000 2.406 679 I HA -0.164 4.006 4.170 -0.000 0.000 0.249 679 I C 2.256 178.400 176.117 0.045 0.000 1.122 679 I CA 1.203 62.528 61.300 0.042 0.000 1.431 679 I CB -0.291 37.734 38.000 0.040 0.000 1.087 679 I HN 0.132 nan 8.210 nan 0.000 0.424 680 T N 0.728 115.305 114.554 0.038 0.000 2.803 680 T HA -0.197 4.153 4.350 -0.000 0.000 0.269 680 T C 1.547 176.270 174.700 0.039 0.000 1.052 680 T CA 1.612 63.737 62.100 0.042 0.000 1.136 680 T CB -0.450 68.438 68.868 0.033 0.000 0.864 680 T HN 0.592 nan 8.240 nan 0.000 0.467 681 E N 0.995 121.213 120.200 0.029 0.000 2.230 681 E HA -0.032 4.318 4.350 -0.000 0.000 0.192 681 E C 1.886 178.497 176.600 0.018 0.000 0.987 681 E CA 0.886 57.298 56.400 0.020 0.000 0.841 681 E CB -0.738 28.970 29.700 0.014 0.000 0.783 681 E HN 0.344 nan 8.360 nan 0.000 0.481 682 T N 1.777 116.347 114.554 0.027 0.000 2.867 682 T HA -0.043 4.307 4.350 -0.000 0.000 0.268 682 T C 1.909 176.626 174.700 0.029 0.000 1.057 682 T CA 0.846 62.962 62.100 0.027 0.000 1.136 682 T CB -0.120 68.774 68.868 0.043 0.000 0.874 682 T HN 0.133 nan 8.240 nan 0.000 0.466 683 I N 1.258 121.858 120.570 0.051 0.000 2.130 683 I HA -0.116 4.054 4.170 -0.000 0.000 0.232 683 I C 2.959 179.079 176.117 0.005 0.000 1.064 683 I CA 0.972 62.311 61.300 0.065 0.000 1.338 683 I CB -0.792 37.285 38.000 0.129 0.000 1.084 683 I HN 0.159 nan 8.210 nan 0.000 0.404 684 A N 1.632 124.463 122.820 0.018 0.000 1.906 684 A HA -0.388 3.932 4.320 -0.000 0.000 0.222 684 A C 2.072 179.641 177.584 -0.026 0.000 1.282 684 A CA 3.162 55.200 52.037 0.000 0.000 0.675 684 A CB -1.327 17.680 19.000 0.011 0.000 0.838 684 A HN 0.705 nan 8.150 nan 0.000 0.469 685 E N 0.317 120.501 120.200 -0.027 0.000 2.086 685 E HA -0.082 4.268 4.350 -0.000 0.000 0.200 685 E C 1.835 178.384 176.600 -0.084 0.000 1.012 685 E CA 2.065 58.436 56.400 -0.048 0.000 0.812 685 E CB -0.904 28.769 29.700 -0.044 0.000 0.743 685 E HN 0.628 nan 8.360 nan 0.000 0.453 686 A N 0.823 123.588 122.820 -0.093 0.000 2.015 686 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 686 A C 2.060 179.570 177.584 -0.122 0.000 1.163 686 A CA 1.524 53.479 52.037 -0.136 0.000 0.646 686 A CB -0.412 18.521 19.000 -0.112 0.000 0.806 686 A HN 0.214 nan 8.150 nan 0.000 0.448 687 K N -0.381 119.956 120.400 -0.106 0.000 2.026 687 K HA -0.183 4.137 4.320 -0.000 0.000 0.208 687 K C 2.181 178.760 176.600 -0.036 0.000 1.048 687 K CA 1.710 57.946 56.287 -0.085 0.000 0.929 687 K CB -0.118 32.349 32.500 -0.055 0.000 0.713 687 K HN 0.359 nan 8.250 nan 0.000 0.439 688 K N 1.926 122.304 120.400 -0.037 0.000 2.031 688 K HA -0.136 4.184 4.320 -0.000 0.000 0.205 688 K C 1.864 178.447 176.600 -0.028 0.000 1.049 688 K CA 1.538 57.813 56.287 -0.021 0.000 0.939 688 K CB -0.123 32.361 32.500 -0.027 0.000 0.717 688 K HN -0.079 nan 8.250 nan 0.000 0.438 689 K N -0.267 120.076 120.400 -0.096 0.000 2.228 689 K HA -0.153 4.167 4.320 -0.000 0.000 0.205 689 K C 1.702 178.280 176.600 -0.037 0.000 1.045 689 K CA 1.447 57.619 56.287 -0.192 0.000 0.931 689 K CB -0.050 32.181 32.500 -0.448 0.000 0.727 689 K HN 0.099 nan 8.250 nan 0.000 0.458 690 V N 0.487 120.448 119.914 0.078 0.000 2.492 690 V HA -0.136 3.983 4.120 -0.000 0.000 0.241 690 V C 1.972 178.184 176.094 0.196 0.000 1.041 690 V CA 1.067 63.512 62.300 0.242 0.000 1.057 690 V CB -0.105 31.819 31.823 0.167 0.000 0.711 690 V HN 0.427 nan 8.190 nan 0.000 0.468 691 L N 0.780 122.070 121.223 0.111 0.000 2.064 691 L HA -0.243 4.097 4.340 -0.000 0.000 0.216 691 L C 1.966 178.894 176.870 0.097 0.000 1.077 691 L CA 2.438 57.335 54.840 0.095 0.000 0.766 691 L CB -1.178 40.910 42.059 0.049 0.000 0.890 691 L HN 0.372 nan 8.230 nan 0.000 0.435 692 D N -0.152 120.301 120.400 0.088 0.000 2.096 692 D HA -0.164 4.476 4.640 -0.000 0.000 0.200 692 D C 2.267 178.634 176.300 0.112 0.000 0.980 692 D CA 2.075 56.121 54.000 0.077 0.000 0.860 692 D CB -0.759 40.077 40.800 0.058 0.000 1.005 692 D HN 0.278 nan 8.370 nan 0.000 0.449 693 V N 1.443 121.471 119.914 0.189 0.000 2.495 693 V HA -0.312 3.808 4.120 -0.000 0.000 0.260 693 V C 2.455 178.659 176.094 0.184 0.000 1.097 693 V CA 2.179 64.624 62.300 0.242 0.000 1.105 693 V CB -1.148 30.920 31.823 0.408 0.000 0.678 693 V HN 0.243 nan 8.190 nan 0.000 0.469 694 T N -0.619 114.056 114.554 0.201 0.000 2.708 694 T HA -0.185 4.165 4.350 -0.000 0.000 0.266 694 T C 1.924 176.553 174.700 -0.119 0.000 1.037 694 T CA 1.617 63.744 62.100 0.045 0.000 1.146 694 T CB -0.189 68.778 68.868 0.164 0.000 0.865 694 T HN 0.534 nan 8.240 nan 0.000 0.435 695 K N 0.800 121.176 120.400 -0.039 0.000 2.116 695 K HA -0.004 4.316 4.320 -0.000 0.000 0.203 695 K C 2.366 178.921 176.600 -0.074 0.000 1.052 695 K CA 0.763 57.014 56.287 -0.060 0.000 0.952 695 K CB -0.118 32.369 32.500 -0.022 0.000 0.729 695 K HN 0.404 nan 8.250 nan 0.000 0.446 696 E N 0.667 120.842 120.200 -0.042 0.000 2.333 696 E HA -0.198 4.152 4.350 -0.000 0.000 0.200 696 E C 1.293 177.844 176.600 -0.080 0.000 1.010 696 E CA 1.020 57.400 56.400 -0.033 0.000 0.841 696 E CB 0.090 29.799 29.700 0.015 0.000 0.757 696 E HN 0.323 nan 8.360 nan 0.000 0.508 697 A N -0.262 122.456 122.820 -0.170 0.000 2.288 697 A HA 0.092 4.412 4.320 -0.000 0.000 0.216 697 A C 1.716 179.148 177.584 -0.253 0.000 1.199 697 A CA -0.147 51.737 52.037 -0.255 0.000 0.891 697 A CB 0.233 18.929 19.000 -0.507 0.000 0.923 697 A HN 0.179 nan 8.150 nan 0.000 0.500 698 Q N -0.568 119.100 119.800 -0.219 0.000 2.331 698 Q HA 0.114 4.453 4.340 -0.000 0.000 0.203 698 Q C 1.883 177.814 176.000 -0.115 0.000 0.944 698 Q CA 0.897 56.594 55.803 -0.178 0.000 0.892 698 Q CB -0.063 28.587 28.738 -0.147 0.000 0.983 698 Q HN 0.623 nan 8.270 nan 0.000 0.482 699 A N 0.931 123.695 122.820 -0.094 0.000 2.218 699 A HA 0.009 4.328 4.320 -0.000 0.000 0.209 699 A C 0.567 178.117 177.584 -0.057 0.000 1.168 699 A CA 0.417 52.416 52.037 -0.063 0.000 0.804 699 A CB -0.006 18.966 19.000 -0.046 0.000 0.834 699 A HN 0.473 nan 8.150 nan 0.000 0.482 700 N N -1.450 117.207 118.700 -0.072 0.000 2.816 700 N HA -0.125 4.615 4.740 -0.000 0.000 0.247 700 N C -0.371 175.116 175.510 -0.039 0.000 1.100 700 N CA 0.863 53.879 53.050 -0.057 0.000 0.687 700 N CB -1.961 36.499 38.487 -0.044 0.000 1.003 700 N HN 0.427 nan 8.380 nan 0.000 0.554 701 L N -0.495 120.705 121.223 -0.039 0.000 3.100 701 L HA 0.451 4.791 4.340 -0.000 0.000 0.259 701 L C -0.122 176.742 176.870 -0.009 0.000 1.316 701 L CA -0.255 54.573 54.840 -0.019 0.000 0.992 701 L CB 0.199 42.249 42.059 -0.015 0.000 1.390 701 L HN 0.095 nan 8.230 nan 0.000 0.550 702 L N -0.027 121.190 121.223 -0.010 0.000 2.408 702 L HA 0.453 4.793 4.340 -0.000 0.000 0.268 702 L C -0.015 176.865 176.870 0.017 0.000 0.986 702 L CA -0.294 54.551 54.840 0.008 0.000 0.820 702 L CB 2.970 45.033 42.059 0.006 0.000 1.303 702 L HN 0.002 nan 8.230 nan 0.000 0.411 703 T N 2.885 117.456 114.554 0.029 0.000 2.738 703 T HA 0.235 4.584 4.350 -0.000 0.000 0.294 703 T C 0.507 175.232 174.700 0.041 0.000 0.914 703 T CA -0.330 61.789 62.100 0.032 0.000 1.052 703 T CB 0.561 69.450 68.868 0.035 0.000 0.897 703 T HN 0.610 nan 8.240 nan 0.000 0.522 704 A N 5.721 128.563 122.820 0.036 0.000 2.512 704 A HA 0.083 4.403 4.320 -0.000 0.000 0.278 704 A C 0.740 178.356 177.584 0.052 0.000 1.128 704 A CA 0.038 52.099 52.037 0.040 0.000 0.818 704 A CB -0.363 18.654 19.000 0.028 0.000 1.044 704 A HN 0.786 nan 8.150 nan 0.000 0.526 705 K N 2.476 122.910 120.400 0.057 0.000 2.530 705 K HA -0.077 4.243 4.320 -0.000 0.000 0.280 705 K C 0.240 176.894 176.600 0.090 0.000 1.004 705 K CA 0.098 56.429 56.287 0.073 0.000 1.071 705 K CB 0.169 32.706 32.500 0.061 0.000 0.876 705 K HN 0.807 nan 8.250 nan 0.000 0.487 706 H N 1.107 120.183 119.070 0.011 0.000 3.209 706 H HA -0.122 4.434 4.556 -0.000 0.000 0.297 706 H C 1.387 176.721 175.328 0.010 0.000 0.936 706 H CA 2.044 58.096 56.048 0.006 0.000 1.392 706 H CB -0.103 29.659 29.762 -0.000 0.000 1.349 706 H HN 0.842 nan 8.280 nan 0.000 0.568 707 G N 3.240 111.797 108.800 -0.406 0.000 2.179 707 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.260 707 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.260 707 G C 0.089 174.922 174.900 -0.112 0.000 0.977 707 G CA 0.457 45.387 45.100 -0.283 0.000 0.641 707 G HN 0.665 nan 8.290 nan 0.000 0.533 708 M N 0.633 120.198 119.600 -0.058 0.000 2.591 708 M HA 0.537 5.017 4.480 -0.000 0.000 0.306 708 M C 0.681 176.981 176.300 0.001 0.000 1.190 708 M CA -0.657 54.633 55.300 -0.017 0.000 0.889 708 M CB 2.033 34.636 32.600 0.004 0.000 1.728 708 M HN 0.041 nan 8.290 nan 0.000 0.458 709 T N 0.938 115.501 114.554 0.015 0.000 2.640 709 T HA 0.118 4.468 4.350 -0.000 0.000 0.316 709 T C 1.185 175.912 174.700 0.044 0.000 1.036 709 T CA -0.304 61.813 62.100 0.028 0.000 1.009 709 T CB 0.320 69.213 68.868 0.043 0.000 1.017 709 T HN 0.428 nan 8.240 nan 0.000 0.530 710 L N 0.194 121.444 121.223 0.045 0.000 2.095 710 L HA 0.093 4.433 4.340 -0.000 0.000 0.204 710 L C 2.701 179.635 176.870 0.106 0.000 1.080 710 L CA 1.443 56.313 54.840 0.051 0.000 0.759 710 L CB -0.944 41.123 42.059 0.012 0.000 0.914 710 L HN 0.490 nan 8.230 nan 0.000 0.439 711 R N 0.211 120.777 120.500 0.110 0.000 2.070 711 R HA -0.147 4.193 4.340 -0.000 0.000 0.232 711 R C 2.134 178.555 176.300 0.202 0.000 1.138 711 R CA 1.513 57.733 56.100 0.200 0.000 0.936 711 R CB -0.734 29.667 30.300 0.169 0.000 0.839 711 R HN 0.457 nan 8.270 nan 0.000 0.429 712 E N 1.001 121.270 120.200 0.114 0.000 2.035 712 E HA -0.213 4.137 4.350 -0.000 0.000 0.204 712 E C 2.178 178.814 176.600 0.060 0.000 1.025 712 E CA 1.954 58.394 56.400 0.067 0.000 0.835 712 E CB -0.210 29.512 29.700 0.037 0.000 0.764 712 E HN 0.225 nan 8.360 nan 0.000 0.457 713 S N 0.465 116.206 115.700 0.069 0.000 2.420 713 S HA -0.169 4.301 4.470 -0.000 0.000 0.237 713 S C 1.490 176.147 174.600 0.095 0.000 1.023 713 S CA 0.976 59.212 58.200 0.060 0.000 0.991 713 S CB -0.326 62.913 63.200 0.064 0.000 0.792 713 S HN 0.275 nan 8.310 nan 0.000 0.488 714 F N 2.738 122.681 119.950 -0.012 0.000 2.060 714 F HA -0.033 4.494 4.527 -0.000 0.000 0.295 714 F C 2.270 178.053 175.800 -0.029 0.000 1.120 714 F CA 1.376 59.367 58.000 -0.015 0.000 1.205 714 F CB -0.685 38.322 39.000 0.011 0.000 0.986 714 F HN 0.032 nan 8.300 nan 0.000 0.470 715 E N 0.446 120.433 120.200 -0.354 0.000 2.097 715 E HA -0.276 4.074 4.350 -0.000 0.000 0.196 715 E C 2.086 178.472 176.600 -0.357 0.000 1.000 715 E CA 1.453 57.563 56.400 -0.483 0.000 0.804 715 E CB -0.853 28.729 29.700 -0.197 0.000 0.740 715 E HN 0.579 nan 8.360 nan 0.000 0.454 716 D N 0.789 121.062 120.400 -0.213 0.000 2.116 716 D HA -0.189 4.451 4.640 -0.000 0.000 0.193 716 D C 1.428 177.554 176.300 -0.290 0.000 0.998 716 D CA 1.055 54.947 54.000 -0.181 0.000 0.836 716 D CB 0.088 40.829 40.800 -0.098 0.000 0.951 716 D HN 0.101 nan 8.370 nan 0.000 0.449 717 N N 0.537 119.020 118.700 -0.362 0.000 2.028 717 N HA -0.145 4.595 4.740 -0.000 0.000 0.194 717 N C 2.271 177.205 175.510 -0.961 0.000 1.050 717 N CA 1.195 53.851 53.050 -0.656 0.000 0.848 717 N CB -0.949 37.236 38.487 -0.504 0.000 1.038 717 N HN 0.139 nan 8.380 nan 0.000 0.423 718 V N 1.919 121.413 119.914 -0.700 0.000 2.232 718 V HA -0.319 3.801 4.120 -0.000 0.000 0.254 718 V C 2.595 178.497 176.094 -0.320 0.000 1.058 718 V CA 2.091 64.107 62.300 -0.472 0.000 1.048 718 V CB -1.207 30.305 31.823 -0.519 0.000 0.668 718 V HN 0.071 nan 8.190 nan 0.000 0.462 719 V N 0.116 119.870 119.914 -0.267 0.000 2.218 719 V HA -0.406 3.714 4.120 -0.000 0.000 0.251 719 V C 2.612 178.660 176.094 -0.077 0.000 1.057 719 V CA 2.875 65.098 62.300 -0.128 0.000 1.022 719 V CB -0.844 30.909 31.823 -0.116 0.000 0.645 719 V HN 0.586 nan 8.190 nan 0.000 0.451 720 R N -1.050 119.366 120.500 -0.141 0.000 2.276 720 R HA -0.205 4.135 4.340 -0.000 0.000 0.243 720 R C 2.151 178.532 176.300 0.134 0.000 1.161 720 R CA 1.860 57.936 56.100 -0.039 0.000 1.007 720 R CB -0.311 29.935 30.300 -0.090 0.000 0.867 720 R HN 0.625 nan 8.270 nan 0.000 0.472 721 F N -0.248 119.688 119.950 -0.023 0.000 2.123 721 F HA -0.132 4.395 4.527 -0.000 0.000 0.289 721 F C 2.082 177.857 175.800 -0.041 0.000 1.099 721 F CA 0.048 58.028 58.000 -0.033 0.000 1.234 721 F CB -0.215 38.751 39.000 -0.057 0.000 1.034 721 F HN -0.048 nan 8.300 nan 0.000 0.479 722 L N 0.495 121.794 121.223 0.126 0.000 1.989 722 L HA -0.291 4.049 4.340 -0.000 0.000 0.211 722 L C 2.014 179.013 176.870 0.216 0.000 1.071 722 L CA 1.524 56.365 54.840 0.002 0.000 0.749 722 L CB -1.196 40.809 42.059 -0.092 0.000 0.890 722 L HN 0.113 nan 8.230 nan 0.000 0.431 723 N N -0.255 118.565 118.700 0.199 0.000 2.043 723 N HA -0.242 4.498 4.740 -0.000 0.000 0.193 723 N C 1.897 177.513 175.510 0.176 0.000 1.037 723 N CA 1.539 54.705 53.050 0.194 0.000 0.851 723 N CB -0.312 38.254 38.487 0.132 0.000 1.027 723 N HN 0.487 nan 8.380 nan 0.000 0.422 724 E N 0.892 121.186 120.200 0.156 0.000 2.086 724 E HA -0.215 4.134 4.350 -0.000 0.000 0.200 724 E C 1.850 178.532 176.600 0.137 0.000 1.012 724 E CA 1.451 57.935 56.400 0.141 0.000 0.812 724 E CB -0.074 29.718 29.700 0.153 0.000 0.743 724 E HN 0.335 nan 8.360 nan 0.000 0.453 725 A N 1.831 124.733 122.820 0.137 0.000 1.849 725 A HA -0.289 4.031 4.320 -0.000 0.000 0.217 725 A C 2.256 179.938 177.584 0.163 0.000 1.202 725 A CA 2.086 54.196 52.037 0.122 0.000 0.629 725 A CB -0.943 18.113 19.000 0.092 0.000 0.834 725 A HN 0.364 nan 8.150 nan 0.000 0.447 726 R N -0.211 120.424 120.500 0.226 0.000 2.113 726 R HA -0.268 4.072 4.340 -0.000 0.000 0.244 726 R C 1.616 178.018 176.300 0.170 0.000 1.142 726 R CA 2.488 58.704 56.100 0.193 0.000 0.953 726 R CB -0.772 29.639 30.300 0.185 0.000 0.860 726 R HN 0.516 nan 8.270 nan 0.000 0.438 727 D N -0.068 120.456 120.400 0.208 0.000 2.123 727 D HA -0.173 4.467 4.640 -0.000 0.000 0.196 727 D C 1.857 178.346 176.300 0.315 0.000 0.992 727 D CA 1.566 55.750 54.000 0.307 0.000 0.833 727 D CB -0.055 40.885 40.800 0.234 0.000 0.954 727 D HN 0.318 nan 8.370 nan 0.000 0.455 728 K N 0.162 120.677 120.400 0.192 0.000 2.031 728 K HA -0.001 4.319 4.320 -0.000 0.000 0.205 728 K C 2.079 178.772 176.600 0.154 0.000 1.049 728 K CA 0.964 57.344 56.287 0.155 0.000 0.939 728 K CB -0.100 32.459 32.500 0.099 0.000 0.717 728 K HN 0.049 nan 8.250 nan 0.000 0.438 729 A N 0.962 123.860 122.820 0.130 0.000 1.971 729 A HA -0.195 4.125 4.320 -0.000 0.000 0.222 729 A C 2.210 179.847 177.584 0.088 0.000 1.182 729 A CA 2.312 54.407 52.037 0.097 0.000 0.649 729 A CB -1.388 17.668 19.000 0.094 0.000 0.818 729 A HN 0.589 nan 8.150 nan 0.000 0.458 730 G N -1.240 107.629 108.800 0.116 0.000 2.547 730 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.214 730 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.214 730 G C 1.614 176.647 174.900 0.221 0.000 1.254 730 G CA 0.733 45.863 45.100 0.050 0.000 0.817 730 G HN 0.510 nan 8.290 nan 0.000 0.551 731 R N -0.156 120.641 120.500 0.496 0.000 2.165 731 R HA -0.158 4.182 4.340 -0.000 0.000 0.254 731 R C 2.671 179.092 176.300 0.202 0.000 1.153 731 R CA 1.551 57.887 56.100 0.393 0.000 0.971 731 R CB -0.648 29.769 30.300 0.196 0.000 0.878 731 R HN 0.364 nan 8.270 nan 0.000 0.449 732 L N -0.433 120.877 121.223 0.145 0.000 1.990 732 L HA -0.259 4.081 4.340 -0.000 0.000 0.213 732 L C 2.706 179.625 176.870 0.082 0.000 1.072 732 L CA 1.707 56.602 54.840 0.093 0.000 0.755 732 L CB -0.747 41.356 42.059 0.074 0.000 0.889 732 L HN 0.311 nan 8.230 nan 0.000 0.432 733 A N -0.411 122.454 122.820 0.075 0.000 1.933 733 A HA -0.255 4.064 4.320 -0.000 0.000 0.218 733 A C 2.244 179.868 177.584 0.068 0.000 1.175 733 A CA 1.762 53.831 52.037 0.053 0.000 0.628 733 A CB -0.581 18.434 19.000 0.024 0.000 0.814 733 A HN 0.508 nan 8.150 nan 0.000 0.444 734 E N -0.591 119.674 120.200 0.108 0.000 2.209 734 E HA -0.129 4.221 4.350 -0.000 0.000 0.196 734 E C 1.497 178.164 176.600 0.111 0.000 0.993 734 E CA 1.315 57.795 56.400 0.135 0.000 0.819 734 E CB -0.035 29.826 29.700 0.269 0.000 0.745 734 E HN 0.328 nan 8.360 nan 0.000 0.477 735 V N 0.815 120.786 119.914 0.096 0.000 3.307 735 V HA -0.051 4.069 4.120 -0.000 0.000 0.253 735 V C 1.862 177.990 176.094 0.056 0.000 1.149 735 V CA 0.841 63.184 62.300 0.072 0.000 1.112 735 V CB -0.231 31.630 31.823 0.064 0.000 0.777 735 V HN 0.350 nan 8.190 nan 0.000 0.464 736 N N 0.182 118.915 118.700 0.055 0.000 2.515 736 N HA 0.025 4.765 4.740 -0.000 0.000 0.185 736 N C 0.357 175.890 175.510 0.040 0.000 1.109 736 N CA 0.062 53.138 53.050 0.043 0.000 0.903 736 N CB 0.128 38.639 38.487 0.040 0.000 0.969 736 N HN 0.378 nan 8.380 nan 0.000 0.450 737 L N 3.256 124.507 121.223 0.046 0.000 2.260 737 L HA 0.177 4.517 4.340 -0.000 0.000 0.289 737 L C 0.656 177.552 176.870 0.044 0.000 1.057 737 L CA -0.746 54.119 54.840 0.043 0.000 0.811 737 L CB 1.085 43.173 42.059 0.048 0.000 1.184 737 L HN 0.069 nan 8.230 nan 0.000 0.429 738 K N 1.844 122.267 120.400 0.039 0.000 2.143 738 K HA 0.091 4.411 4.320 -0.000 0.000 0.239 738 K C -0.088 176.541 176.600 0.048 0.000 1.048 738 K CA -0.549 55.762 56.287 0.040 0.000 0.867 738 K CB 0.813 33.334 32.500 0.034 0.000 1.088 738 K HN 0.384 nan 8.250 nan 0.000 0.510 739 D N 0.367 120.797 120.400 0.051 0.000 2.269 739 D HA -0.063 4.577 4.640 -0.000 0.000 0.208 739 D C 1.687 178.029 176.300 0.071 0.000 0.963 739 D CA 0.817 54.854 54.000 0.061 0.000 0.864 739 D CB -0.231 40.605 40.800 0.060 0.000 0.936 739 D HN 0.468 nan 8.370 nan 0.000 0.505 740 L N -0.465 120.793 121.223 0.058 0.000 2.465 740 L HA 0.085 4.425 4.340 -0.000 0.000 0.224 740 L C 0.539 177.437 176.870 0.046 0.000 1.145 740 L CA 0.362 55.235 54.840 0.056 0.000 0.834 740 L CB -1.393 40.690 42.059 0.038 0.000 0.944 740 L HN -0.191 nan 8.230 nan 0.000 0.451 741 N N 0.974 119.702 118.700 0.047 0.000 2.468 741 N HA -0.047 4.692 4.740 -0.000 0.000 0.265 741 N C 0.699 176.244 175.510 0.060 0.000 1.199 741 N CA -0.115 52.956 53.050 0.036 0.000 0.928 741 N CB 0.403 38.914 38.487 0.040 0.000 1.059 741 N HN 0.288 nan 8.380 nan 0.000 0.467 742 N N 2.896 121.606 118.700 0.017 0.000 2.039 742 N HA -0.150 4.590 4.740 -0.000 0.000 0.193 742 N C 1.598 177.193 175.510 0.141 0.000 1.044 742 N CA 1.006 54.078 53.050 0.036 0.000 0.847 742 N CB -0.410 37.947 38.487 -0.217 0.000 1.030 742 N HN 0.326 nan 8.380 nan 0.000 0.422 743 V N 1.923 121.881 119.914 0.073 0.000 2.439 743 V HA -0.256 3.864 4.120 -0.000 0.000 0.253 743 V C 2.479 178.630 176.094 0.096 0.000 1.074 743 V CA 1.674 64.024 62.300 0.084 0.000 1.076 743 V CB -0.501 31.348 31.823 0.044 0.000 0.664 743 V HN 0.393 nan 8.190 nan 0.000 0.461 744 K N -0.423 120.033 120.400 0.093 0.000 2.044 744 K HA -0.156 4.164 4.320 -0.000 0.000 0.204 744 K C 2.249 178.911 176.600 0.104 0.000 1.049 744 K CA 1.244 57.585 56.287 0.090 0.000 0.945 744 K CB -0.162 32.385 32.500 0.078 0.000 0.724 744 K HN 0.445 nan 8.250 nan 0.000 0.440 745 Q N 0.117 120.001 119.800 0.140 0.000 2.112 745 Q HA -0.196 4.144 4.340 -0.000 0.000 0.206 745 Q C 2.153 178.214 176.000 0.103 0.000 0.987 745 Q CA 2.164 58.056 55.803 0.148 0.000 0.858 745 Q CB -0.068 28.831 28.738 0.268 0.000 0.905 745 Q HN 0.424 nan 8.270 nan 0.000 0.420 746 M N -0.566 119.121 119.600 0.146 0.000 2.086 746 M HA -0.172 4.308 4.480 -0.000 0.000 0.261 746 M C 2.189 178.517 176.300 0.047 0.000 1.067 746 M CA 1.140 56.484 55.300 0.074 0.000 1.116 746 M CB -0.131 32.547 32.600 0.130 0.000 1.348 746 M HN 0.095 nan 8.290 nan 0.000 0.407 747 V N 0.314 120.269 119.914 0.067 0.000 2.490 747 V HA -0.289 3.831 4.120 -0.000 0.000 0.250 747 V C 2.299 178.422 176.094 0.048 0.000 1.061 747 V CA 1.607 63.943 62.300 0.060 0.000 1.064 747 V CB -0.679 31.190 31.823 0.076 0.000 0.670 747 V HN 0.496 nan 8.190 nan 0.000 0.461 748 M N 0.008 119.636 119.600 0.046 0.000 2.062 748 M HA -0.123 4.357 4.480 -0.000 0.000 0.259 748 M C 2.510 178.817 176.300 0.011 0.000 1.076 748 M CA 2.245 57.565 55.300 0.033 0.000 1.122 748 M CB -0.654 31.968 32.600 0.036 0.000 1.312 748 M HN 0.365 nan 8.290 nan 0.000 0.412 749 A N -0.148 122.668 122.820 -0.007 0.000 1.948 749 A HA -0.033 4.287 4.320 -0.000 0.000 0.220 749 A C 1.702 179.274 177.584 -0.021 0.000 1.177 749 A CA 1.808 53.827 52.037 -0.030 0.000 0.636 749 A CB -1.248 17.713 19.000 -0.066 0.000 0.815 749 A HN 0.825 nan 8.150 nan 0.000 0.449 750 G N -1.509 107.287 108.800 -0.008 0.000 2.164 750 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.212 750 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.212 750 G C 0.837 175.733 174.900 -0.006 0.000 1.031 750 G CA 1.096 46.197 45.100 0.001 0.000 0.730 750 G HN 1.569 nan 8.290 nan 0.000 0.501 751 S N -1.754 113.936 115.700 -0.017 0.000 2.478 751 S HA 0.516 4.986 4.470 -0.000 0.000 0.222 751 S C 0.855 175.451 174.600 -0.006 0.000 1.008 751 S CA 1.252 59.438 58.200 -0.024 0.000 0.928 751 S CB 0.688 63.854 63.200 -0.057 0.000 0.781 751 S HN 0.403 nan 8.310 nan 0.000 0.518 752 K N -0.274 120.131 120.400 0.010 0.000 2.660 752 K HA 0.512 4.832 4.320 -0.000 0.000 0.285 752 K C -0.149 176.470 176.600 0.033 0.000 0.997 752 K CA 0.309 56.608 56.287 0.020 0.000 0.861 752 K CB 0.985 33.501 32.500 0.026 0.000 1.469 752 K HN 0.575 nan 8.250 nan 0.000 0.395 753 G N 0.975 109.793 108.800 0.030 0.000 2.881 753 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.681 753 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.681 753 G C -0.304 174.626 174.900 0.050 0.000 1.567 753 G CA 0.207 45.328 45.100 0.036 0.000 1.013 753 G HN 1.223 nan 8.290 nan 0.000 0.580 754 S N -0.015 115.721 115.700 0.060 0.000 2.880 754 S HA 0.756 5.226 4.470 -0.000 0.000 0.308 754 S C 0.829 175.507 174.600 0.129 0.000 1.195 754 S CA 0.339 58.599 58.200 0.099 0.000 0.866 754 S CB 1.114 64.376 63.200 0.103 0.000 1.254 754 S HN 1.795 nan 8.310 nan 0.000 0.571 755 F N 1.748 121.717 119.950 0.032 0.000 1.993 755 F HA -0.011 4.516 4.527 -0.000 0.000 0.297 755 F C 2.081 177.905 175.800 0.040 0.000 1.177 755 F CA 1.738 59.759 58.000 0.034 0.000 1.182 755 F CB -0.654 38.365 39.000 0.032 0.000 0.958 755 F HN 0.459 nan 8.300 nan 0.000 0.496 756 I N 1.341 121.796 120.570 -0.191 0.000 2.462 756 I HA -0.375 3.794 4.170 -0.000 0.000 0.259 756 I C 2.076 178.075 176.117 -0.197 0.000 1.156 756 I CA 1.354 62.473 61.300 -0.301 0.000 1.417 756 I CB -1.670 36.322 38.000 -0.014 0.000 1.088 756 I HN 0.415 nan 8.210 nan 0.000 0.442 757 N N 1.204 119.845 118.700 -0.099 0.000 2.028 757 N HA -0.144 4.596 4.740 -0.000 0.000 0.194 757 N C 1.995 177.463 175.510 -0.071 0.000 1.050 757 N CA 1.462 54.487 53.050 -0.042 0.000 0.848 757 N CB -0.241 38.242 38.487 -0.005 0.000 1.038 757 N HN 0.336 nan 8.380 nan 0.000 0.423 758 I N 1.738 122.245 120.570 -0.105 0.000 2.151 758 I HA -0.296 3.874 4.170 -0.000 0.000 0.243 758 I C 2.530 178.555 176.117 -0.153 0.000 1.080 758 I CA 1.220 62.463 61.300 -0.095 0.000 1.339 758 I CB -0.532 37.420 38.000 -0.080 0.000 1.039 758 I HN 0.072 nan 8.210 nan 0.000 0.409 759 A N 0.783 123.399 122.820 -0.339 0.000 1.852 759 A HA -0.314 4.006 4.320 -0.000 0.000 0.217 759 A C 2.244 179.722 177.584 -0.177 0.000 1.215 759 A CA 2.133 53.958 52.037 -0.354 0.000 0.641 759 A CB -1.005 17.612 19.000 -0.637 0.000 0.838 759 A HN 0.552 nan 8.150 nan 0.000 0.450 760 Q N -1.080 118.641 119.800 -0.130 0.000 2.439 760 Q HA -0.081 4.259 4.340 -0.000 0.000 0.211 760 Q C 2.013 178.060 176.000 0.078 0.000 0.978 760 Q CA 1.199 56.962 55.803 -0.066 0.000 0.897 760 Q CB -0.267 28.502 28.738 0.052 0.000 0.956 760 Q HN 0.752 nan 8.270 nan 0.000 0.483 761 M N -0.812 118.841 119.600 0.089 0.000 2.276 761 M HA -0.042 4.438 4.480 -0.000 0.000 0.262 761 M C 1.967 178.297 176.300 0.052 0.000 1.098 761 M CA 1.150 56.530 55.300 0.133 0.000 1.167 761 M CB 0.262 32.904 32.600 0.070 0.000 1.337 761 M HN 0.020 nan 8.290 nan 0.000 0.446 762 S N 0.218 115.920 115.700 0.003 0.000 2.456 762 S HA 0.252 4.722 4.470 -0.000 0.000 0.224 762 S C 1.552 176.140 174.600 -0.021 0.000 1.035 762 S CA 0.491 58.688 58.200 -0.006 0.000 0.940 762 S CB 0.044 63.241 63.200 -0.005 0.000 0.799 762 S HN 0.418 nan 8.310 nan 0.000 0.508 763 A N 0.630 123.423 122.820 -0.045 0.000 3.280 763 A HA 0.537 4.857 4.320 -0.000 0.000 0.203 763 A C 0.709 178.252 177.584 -0.069 0.000 2.143 763 A CA 0.313 52.324 52.037 -0.043 0.000 1.168 763 A CB -0.661 18.311 19.000 -0.045 0.000 1.267 763 A HN 0.538 nan 8.150 nan 0.000 0.436 764 C N -0.903 118.339 119.300 -0.097 0.000 2.482 764 C HA 0.585 5.045 4.460 -0.000 0.000 0.317 764 C C 1.660 176.500 174.990 -0.250 0.000 1.197 764 C CA -0.306 58.619 59.018 -0.155 0.000 1.432 764 C CB 0.468 28.166 27.740 -0.071 0.000 2.062 764 C HN 0.572 nan 8.230 nan 0.000 0.471 765 V N 5.394 125.074 119.914 -0.390 0.000 2.255 765 V HA 0.224 4.344 4.120 -0.000 0.000 0.247 765 V C 1.691 177.570 176.094 -0.358 0.000 1.051 765 V CA 2.644 64.659 62.300 -0.475 0.000 1.018 765 V CB -1.336 30.060 31.823 -0.712 0.000 0.641 765 V HN 1.705 nan 8.190 nan 0.000 0.445 766 G N -0.844 107.669 108.800 -0.478 0.000 2.408 766 G HA2 0.005 3.965 3.960 -0.000 0.000 0.682 766 G HA3 0.005 3.965 3.960 -0.000 0.000 0.682 766 G C -0.796 173.872 174.900 -0.385 0.000 1.303 766 G CA -0.121 44.747 45.100 -0.386 0.000 0.966 766 G HN 0.509 nan 8.290 nan 0.000 0.560 767 Q N 0.122 119.869 119.800 -0.088 0.000 2.307 767 Q HA 0.563 4.903 4.340 -0.000 0.000 0.261 767 Q C 0.419 176.447 176.000 0.046 0.000 1.051 767 Q CA 0.101 55.952 55.803 0.080 0.000 0.911 767 Q CB 0.782 29.679 28.738 0.265 0.000 1.227 767 Q HN 0.560 nan 8.270 nan 0.000 0.418 768 Q N 1.857 121.690 119.800 0.054 0.000 2.373 768 Q HA 0.483 4.822 4.340 -0.000 0.000 0.255 768 Q C -0.962 175.055 176.000 0.029 0.000 0.980 768 Q CA 0.147 55.993 55.803 0.071 0.000 0.882 768 Q CB 1.498 30.318 28.738 0.137 0.000 1.249 768 Q HN 0.730 nan 8.270 nan 0.000 0.438 769 S N 0.635 116.337 115.700 0.004 0.000 2.607 769 S HA 0.863 5.333 4.470 -0.000 0.000 0.273 769 S C -1.712 172.857 174.600 -0.051 0.000 1.148 769 S CA -0.675 57.505 58.200 -0.033 0.000 0.833 769 S CB 1.186 64.372 63.200 -0.023 0.000 1.130 769 S HN 0.265 nan 8.310 nan 0.000 0.470 770 V N 2.765 122.636 119.914 -0.071 0.000 2.733 770 V HA 0.545 4.665 4.120 -0.000 0.000 0.306 770 V C -0.079 175.975 176.094 -0.067 0.000 1.084 770 V CA -0.681 61.576 62.300 -0.072 0.000 0.905 770 V CB 1.376 33.145 31.823 -0.091 0.000 1.010 770 V HN 1.126 nan 8.190 nan 0.000 0.424 771 E N 2.772 122.940 120.200 -0.052 0.000 2.805 771 E HA -0.351 3.999 4.350 -0.000 0.000 0.266 771 E C 1.283 177.858 176.600 -0.041 0.000 1.092 771 E CA 1.015 57.389 56.400 -0.043 0.000 0.781 771 E CB -1.082 28.590 29.700 -0.046 0.000 1.379 771 E HN 1.573 nan 8.360 nan 0.000 0.433 772 G N -0.493 108.282 108.800 -0.041 0.000 2.659 772 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.212 772 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.212 772 G C 0.193 175.061 174.900 -0.053 0.000 1.226 772 G CA 0.226 45.304 45.100 -0.038 0.000 0.739 772 G HN 0.169 nan 8.290 nan 0.000 0.528 773 K N 2.705 123.063 120.400 -0.070 0.000 2.258 773 K HA 0.546 4.866 4.320 -0.000 0.000 0.264 773 K C 1.194 177.723 176.600 -0.118 0.000 1.007 773 K CA -0.251 55.977 56.287 -0.099 0.000 0.941 773 K CB 0.412 32.843 32.500 -0.116 0.000 0.966 773 K HN 0.725 nan 8.250 nan 0.000 0.480 774 R N 1.777 122.194 120.500 -0.138 0.000 2.774 774 R HA 0.162 4.501 4.340 -0.000 0.000 0.269 774 R C 0.102 176.266 176.300 -0.226 0.000 1.068 774 R CA -0.800 55.215 56.100 -0.142 0.000 1.180 774 R CB -0.125 30.105 30.300 -0.117 0.000 1.077 774 R HN 0.371 nan 8.270 nan 0.000 0.513 775 I N 0.891 121.305 120.570 -0.260 0.000 3.163 775 I HA -0.211 3.959 4.170 -0.000 0.000 0.332 775 I C 1.066 176.928 176.117 -0.425 0.000 1.205 775 I CA 0.594 61.666 61.300 -0.381 0.000 1.473 775 I CB -1.259 36.329 38.000 -0.687 0.000 1.300 775 I HN 0.807 nan 8.210 nan 0.000 0.532 776 A N 7.285 129.887 122.820 -0.363 0.000 2.336 776 A HA 0.636 4.956 4.320 -0.000 0.000 0.291 776 A C -0.183 177.214 177.584 -0.311 0.000 1.266 776 A CA -0.505 51.285 52.037 -0.411 0.000 0.891 776 A CB 0.342 19.201 19.000 -0.235 0.000 1.366 776 A HN 0.553 nan 8.150 nan 0.000 0.507 777 F N 0.547 120.450 119.950 -0.078 0.000 2.395 777 F HA 0.303 4.829 4.527 -0.000 0.000 0.347 777 F C 1.659 177.451 175.800 -0.013 0.000 1.157 777 F CA -0.181 57.807 58.000 -0.020 0.000 1.272 777 F CB 0.616 39.623 39.000 0.011 0.000 1.607 777 F HN 0.734 nan 8.300 nan 0.000 0.571 778 G N 2.257 111.111 108.800 0.089 0.000 2.402 778 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.216 778 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.216 778 G C 0.489 175.399 174.900 0.017 0.000 1.162 778 G CA 0.074 45.149 45.100 -0.042 0.000 0.777 778 G HN 0.354 nan 8.290 nan 0.000 0.539 779 F N 0.466 120.470 119.950 0.090 0.000 2.384 779 F HA 0.333 4.860 4.527 -0.000 0.000 0.338 779 F C 0.633 176.464 175.800 0.051 0.000 1.103 779 F CA -1.228 56.807 58.000 0.057 0.000 1.157 779 F CB 1.659 40.685 39.000 0.044 0.000 1.167 779 F HN -0.268 nan 8.300 nan 0.000 0.529 780 V N 4.570 124.624 119.914 0.233 0.000 2.555 780 V HA -0.182 3.938 4.120 -0.000 0.000 0.299 780 V C 0.163 176.243 176.094 -0.022 0.000 1.012 780 V CA 0.540 62.897 62.300 0.095 0.000 1.180 780 V CB -0.570 31.289 31.823 0.061 0.000 0.887 780 V HN 0.848 nan 8.190 nan 0.000 0.476 781 D N 3.479 123.784 120.400 -0.158 0.000 2.751 781 D HA -0.194 4.446 4.640 -0.000 0.000 0.233 781 D C 0.432 176.177 176.300 -0.926 0.000 1.149 781 D CA 1.492 55.124 54.000 -0.615 0.000 0.682 781 D CB -0.450 40.161 40.800 -0.315 0.000 1.068 781 D HN 0.965 nan 8.370 nan 0.000 0.429 782 R N -3.613 116.561 120.500 -0.544 0.000 2.709 782 R HA 0.411 4.751 4.340 -0.000 0.000 0.270 782 R C 0.964 177.616 176.300 0.587 0.000 1.038 782 R CA -0.385 55.750 56.100 0.060 0.000 0.872 782 R CB 0.255 30.639 30.300 0.139 0.000 1.259 782 R HN -0.094 nan 8.270 nan 0.000 0.473 783 T N -1.031 113.899 114.554 0.627 0.000 2.814 783 T HA 0.215 4.565 4.350 -0.000 0.000 0.254 783 T C 0.889 175.784 174.700 0.324 0.000 1.037 783 T CA 0.477 62.809 62.100 0.385 0.000 1.143 783 T CB -0.007 69.058 68.868 0.328 0.000 0.866 783 T HN 0.331 nan 8.240 nan 0.000 0.431 784 L N 1.023 122.395 121.223 0.248 0.000 2.256 784 L HA 0.466 4.806 4.340 -0.000 0.000 0.261 784 L C -1.847 175.075 176.870 0.087 0.000 1.022 784 L CA -2.758 52.137 54.840 0.092 0.000 0.828 784 L CB 2.341 44.079 42.059 -0.535 0.000 1.374 784 L HN -0.094 nan 8.230 nan 0.000 0.436 785 P HA 0.032 nan 4.420 nan 0.000 0.257 785 P C 0.403 177.782 177.300 0.132 0.000 1.281 785 P CA 0.718 63.712 63.100 -0.177 0.000 0.826 785 P CB -0.015 31.422 31.700 -0.439 0.000 1.237 786 H N -1.260 117.719 119.070 -0.153 0.000 2.538 786 H HA 0.296 4.852 4.556 -0.000 0.000 0.286 786 H C 0.266 175.685 175.328 0.152 0.000 1.035 786 H CA -0.305 55.686 56.048 -0.095 0.000 1.169 786 H CB -0.137 29.497 29.762 -0.214 0.000 1.417 786 H HN 0.172 nan 8.280 nan 0.000 0.567 787 F N 0.667 120.709 119.950 0.154 0.000 2.620 787 F HA 0.302 4.829 4.527 -0.000 0.000 0.320 787 F C 0.073 175.914 175.800 0.068 0.000 1.069 787 F CA -1.508 56.565 58.000 0.122 0.000 0.953 787 F CB 2.153 41.253 39.000 0.167 0.000 1.322 787 F HN -0.046 nan 8.300 nan 0.000 0.479 788 S N 0.949 116.789 115.700 0.233 0.000 2.541 788 S HA 0.403 4.873 4.470 -0.000 0.000 0.283 788 S C -0.623 174.021 174.600 0.075 0.000 1.196 788 S CA -1.131 57.136 58.200 0.110 0.000 1.062 788 S CB 1.580 64.820 63.200 0.068 0.000 1.009 788 S HN 0.490 nan 8.310 nan 0.000 0.502 789 K N 0.949 121.361 120.400 0.020 0.000 2.552 789 K HA -0.068 4.252 4.320 -0.000 0.000 0.276 789 K C -0.318 176.259 176.600 -0.039 0.000 0.960 789 K CA 0.885 57.145 56.287 -0.047 0.000 0.961 789 K CB -0.187 32.282 32.500 -0.052 0.000 0.902 789 K HN 0.767 nan 8.250 nan 0.000 0.515 790 D N 0.496 120.824 120.400 -0.118 0.000 2.737 790 D HA -0.184 4.456 4.640 -0.000 0.000 0.233 790 D C -0.686 175.759 176.300 0.241 0.000 1.155 790 D CA 1.102 55.127 54.000 0.041 0.000 0.667 790 D CB -0.632 40.197 40.800 0.049 0.000 1.060 790 D HN 0.426 nan 8.370 nan 0.000 0.427 791 D N -0.499 120.040 120.400 0.232 0.000 2.232 791 D HA 0.151 4.791 4.640 -0.000 0.000 0.242 791 D C -0.008 176.604 176.300 0.521 0.000 1.093 791 D CA -0.402 53.783 54.000 0.308 0.000 0.845 791 D CB 0.591 41.460 40.800 0.115 0.000 1.124 791 D HN 0.087 nan 8.370 nan 0.000 0.467 792 Y N 1.275 121.718 120.300 0.238 0.000 2.481 792 Y HA 0.065 4.615 4.550 -0.000 0.000 0.247 792 Y C 1.429 177.437 175.900 0.180 0.000 1.151 792 Y CA -0.351 57.913 58.100 0.273 0.000 1.238 792 Y CB -0.004 38.672 38.460 0.360 0.000 1.179 792 Y HN 0.322 nan 8.280 nan 0.000 0.524 793 S N 2.035 117.881 115.700 0.243 0.000 2.572 793 S HA -0.001 4.469 4.470 -0.000 0.000 0.267 793 S C -1.233 173.432 174.600 0.107 0.000 1.361 793 S CA -0.834 57.450 58.200 0.140 0.000 1.009 793 S CB 0.924 64.161 63.200 0.062 0.000 0.888 793 S HN 0.095 nan 8.310 nan 0.000 0.553 794 P HA -0.110 nan 4.420 nan 0.000 0.216 794 P C 0.553 177.987 177.300 0.224 0.000 1.150 794 P CA 1.323 64.485 63.100 0.104 0.000 0.837 794 P CB -0.180 31.486 31.700 -0.056 0.000 0.786 795 E N -0.397 119.905 120.200 0.170 0.000 2.533 795 E HA -0.020 4.330 4.350 -0.000 0.000 0.201 795 E C 1.743 178.524 176.600 0.302 0.000 1.097 795 E CA 0.573 57.102 56.400 0.214 0.000 0.887 795 E CB -0.576 29.181 29.700 0.095 0.000 0.855 795 E HN 0.247 nan 8.360 nan 0.000 0.540 796 S N -0.958 114.934 115.700 0.319 0.000 2.648 796 S HA 0.090 4.560 4.470 -0.000 0.000 0.270 796 S C 1.115 175.983 174.600 0.446 0.000 1.082 796 S CA -0.351 58.193 58.200 0.573 0.000 1.116 796 S CB 0.281 63.581 63.200 0.167 0.000 1.040 796 S HN -0.066 nan 8.310 nan 0.000 0.572 797 K N 1.417 121.943 120.400 0.211 0.000 2.404 797 K HA 0.366 4.686 4.320 -0.000 0.000 0.194 797 K C 0.924 177.532 176.600 0.012 0.000 1.023 797 K CA 0.742 57.020 56.287 -0.015 0.000 1.094 797 K CB 0.471 32.922 32.500 -0.080 0.000 0.841 797 K HN 0.531 nan 8.250 nan 0.000 0.523 798 G N 1.945 110.915 108.800 0.282 0.000 2.237 798 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.153 798 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.153 798 G C -0.687 174.402 174.900 0.315 0.000 1.039 798 G CA -0.642 44.684 45.100 0.377 0.000 0.719 798 G HN 0.252 nan 8.290 nan 0.000 0.491 799 F N 1.943 122.005 119.950 0.186 0.000 2.350 799 F HA 0.588 5.115 4.527 -0.000 0.000 0.365 799 F C 0.467 176.318 175.800 0.085 0.000 1.122 799 F CA -0.949 57.113 58.000 0.104 0.000 1.139 799 F CB 1.288 40.337 39.000 0.081 0.000 1.220 799 F HN 0.022 nan 8.300 nan 0.000 0.499 800 V N 7.670 127.290 119.914 -0.489 0.000 2.370 800 V HA 0.006 4.126 4.120 -0.000 0.000 0.257 800 V C 1.211 176.906 176.094 -0.665 0.000 1.064 800 V CA 0.188 62.232 62.300 -0.427 0.000 0.975 800 V CB 0.620 32.209 31.823 -0.390 0.000 1.067 800 V HN 0.904 nan 8.190 nan 0.000 0.485 801 E N 4.221 124.223 120.200 -0.330 0.000 2.107 801 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 801 E C 1.002 177.528 176.600 -0.123 0.000 0.982 801 E CA 0.351 56.682 56.400 -0.115 0.000 0.809 801 E CB 0.273 30.089 29.700 0.193 0.000 0.756 801 E HN 0.736 nan 8.360 nan 0.000 0.459 802 N N 1.086 119.705 118.700 -0.135 0.000 2.415 802 N HA -0.016 4.724 4.740 -0.000 0.000 0.248 802 N C -0.264 175.123 175.510 -0.204 0.000 1.271 802 N CA 0.449 53.425 53.050 -0.123 0.000 0.913 802 N CB 1.258 39.689 38.487 -0.092 0.000 1.129 802 N HN 0.102 nan 8.380 nan 0.000 0.444 803 S N 0.011 115.625 115.700 -0.144 0.000 2.687 803 S HA 0.271 4.741 4.470 -0.000 0.000 0.283 803 S C 0.977 175.504 174.600 -0.121 0.000 1.170 803 S CA -0.655 57.448 58.200 -0.162 0.000 1.008 803 S CB 0.539 63.699 63.200 -0.067 0.000 1.026 803 S HN 0.546 nan 8.310 nan 0.000 0.541 804 Y N -0.059 120.205 120.300 -0.060 0.000 2.403 804 Y HA -0.072 4.478 4.550 -0.000 0.000 0.291 804 Y C 2.104 177.989 175.900 -0.024 0.000 1.143 804 Y CA 0.561 58.637 58.100 -0.040 0.000 1.257 804 Y CB -0.088 38.351 38.460 -0.035 0.000 0.984 804 Y HN 0.591 nan 8.280 nan 0.000 0.550 805 L N 0.247 121.542 121.223 0.119 0.000 2.156 805 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 805 L C 2.129 179.024 176.870 0.043 0.000 1.095 805 L CA 1.516 56.395 54.840 0.065 0.000 0.770 805 L CB -0.428 41.654 42.059 0.038 0.000 0.914 805 L HN 0.008 nan 8.230 nan 0.000 0.439 806 R N -0.241 120.274 120.500 0.026 0.000 2.052 806 R HA 0.304 4.644 4.340 -0.000 0.000 0.226 806 R C 0.277 176.587 176.300 0.017 0.000 1.145 806 R CA 0.806 56.913 56.100 0.011 0.000 0.952 806 R CB -0.372 29.923 30.300 -0.008 0.000 0.847 806 R HN 0.451 nan 8.270 nan 0.000 0.431 807 G N 0.848 109.659 108.800 0.019 0.000 3.393 807 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.676 807 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.676 807 G C -1.026 173.881 174.900 0.012 0.000 1.224 807 G CA -1.056 44.064 45.100 0.032 0.000 1.109 807 G HN -0.024 nan 8.290 nan 0.000 0.519 808 L N 1.823 123.066 121.223 0.032 0.000 2.516 808 L HA 0.465 4.805 4.340 -0.000 0.000 0.288 808 L C 1.916 178.811 176.870 0.042 0.000 1.246 808 L CA 0.942 55.802 54.840 0.034 0.000 0.844 808 L CB 0.261 42.388 42.059 0.114 0.000 1.106 808 L HN 0.945 nan 8.230 nan 0.000 0.509 809 T N -0.815 113.760 114.554 0.035 0.000 2.874 809 T HA 0.357 4.707 4.350 -0.000 0.000 0.281 809 T C -1.847 172.883 174.700 0.049 0.000 0.994 809 T CA -1.749 60.366 62.100 0.026 0.000 1.015 809 T CB 1.043 69.925 68.868 0.023 0.000 1.028 809 T HN 0.412 nan 8.240 nan 0.000 0.523 810 P HA -0.150 nan 4.420 nan 0.000 0.217 810 P C 1.403 178.724 177.300 0.034 0.000 1.151 810 P CA 1.286 64.423 63.100 0.061 0.000 0.849 810 P CB 0.049 31.775 31.700 0.043 0.000 0.787 811 Q N -0.781 118.940 119.800 -0.131 0.000 2.062 811 Q HA -0.085 4.255 4.340 -0.000 0.000 0.196 811 Q C 2.119 177.844 176.000 -0.459 0.000 0.967 811 Q CA 1.205 56.710 55.803 -0.497 0.000 0.832 811 Q CB -0.847 27.524 28.738 -0.611 0.000 0.899 811 Q HN 0.343 nan 8.270 nan 0.000 0.442 812 E N 0.019 120.118 120.200 -0.168 0.000 2.086 812 E HA -0.235 4.115 4.350 -0.000 0.000 0.200 812 E C 1.732 178.402 176.600 0.116 0.000 1.012 812 E CA 1.224 57.609 56.400 -0.026 0.000 0.812 812 E CB -0.290 29.408 29.700 -0.003 0.000 0.743 812 E HN 0.253 nan 8.360 nan 0.000 0.453 813 F N 0.867 120.829 119.950 0.021 0.000 2.046 813 F HA -0.231 4.296 4.527 -0.000 0.000 0.297 813 F C 2.150 178.062 175.800 0.187 0.000 1.123 813 F CA 1.605 59.675 58.000 0.116 0.000 1.199 813 F CB -0.573 38.482 39.000 0.092 0.000 0.972 813 F HN -0.044 nan 8.300 nan 0.000 0.474 814 F N -0.387 119.594 119.950 0.052 0.000 2.269 814 F HA -0.177 4.350 4.527 -0.000 0.000 0.301 814 F C 2.046 177.937 175.800 0.152 0.000 1.082 814 F CA 1.365 59.364 58.000 -0.003 0.000 1.360 814 F CB -0.427 38.610 39.000 0.062 0.000 1.041 814 F HN 0.018 nan 8.300 nan 0.000 0.512 815 F N -1.452 118.650 119.950 0.253 0.000 2.163 815 F HA -0.193 4.334 4.527 -0.000 0.000 0.297 815 F C 2.537 178.364 175.800 0.044 0.000 1.094 815 F CA 0.674 58.772 58.000 0.163 0.000 1.290 815 F CB -0.618 38.471 39.000 0.148 0.000 1.017 815 F HN 0.043 nan 8.300 nan 0.000 0.483 816 H N 0.877 120.010 119.070 0.104 0.000 2.352 816 H HA -0.167 4.389 4.556 -0.000 0.000 0.299 816 H C 2.066 177.302 175.328 -0.152 0.000 1.097 816 H CA 1.521 57.545 56.048 -0.039 0.000 1.311 816 H CB -0.425 29.296 29.762 -0.068 0.000 1.377 816 H HN 0.180 nan 8.280 nan 0.000 0.504 817 A N 0.711 123.330 122.820 -0.336 0.000 1.841 817 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 817 A C 2.604 179.969 177.584 -0.365 0.000 1.199 817 A CA 2.141 53.885 52.037 -0.488 0.000 0.621 817 A CB -0.959 17.650 19.000 -0.652 0.000 0.835 817 A HN 0.528 nan 8.150 nan 0.000 0.445 818 M N -0.415 118.984 119.600 -0.335 0.000 2.153 818 M HA -0.238 4.242 4.480 -0.000 0.000 0.253 818 M C 2.139 178.340 176.300 -0.164 0.000 1.081 818 M CA 1.598 56.762 55.300 -0.227 0.000 1.076 818 M CB -0.801 31.730 32.600 -0.116 0.000 1.350 818 M HN 0.573 nan 8.290 nan 0.000 0.401 819 G N -0.291 108.425 108.800 -0.139 0.000 2.434 819 G HA2 -0.058 3.901 3.960 -0.000 0.000 0.214 819 G HA3 -0.058 3.901 3.960 -0.000 0.000 0.214 819 G C 1.477 176.284 174.900 -0.154 0.000 1.202 819 G CA 0.867 45.902 45.100 -0.108 0.000 0.788 819 G HN 0.545 nan 8.290 nan 0.000 0.539 820 G N 1.015 109.662 108.800 -0.256 0.000 2.514 820 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.217 820 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.217 820 G C 1.842 176.635 174.900 -0.177 0.000 1.198 820 G CA 1.500 46.455 45.100 -0.243 0.000 0.780 820 G HN 0.517 nan 8.290 nan 0.000 0.565 821 R N 0.906 121.288 120.500 -0.196 0.000 2.228 821 R HA -0.171 4.169 4.340 -0.000 0.000 0.259 821 R C 2.180 178.411 176.300 -0.115 0.000 1.183 821 R CA 2.226 58.233 56.100 -0.155 0.000 1.002 821 R CB -0.633 29.563 30.300 -0.174 0.000 0.879 821 R HN 0.560 nan 8.270 nan 0.000 0.467 822 E N -1.154 118.981 120.200 -0.109 0.000 2.046 822 E HA -0.081 4.269 4.350 -0.000 0.000 0.190 822 E C 1.792 178.352 176.600 -0.067 0.000 0.982 822 E CA 1.142 57.494 56.400 -0.080 0.000 0.800 822 E CB -0.360 29.296 29.700 -0.073 0.000 0.756 822 E HN 0.569 nan 8.360 nan 0.000 0.449 823 G N 1.909 110.667 108.800 -0.070 0.000 2.587 823 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.217 823 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.217 823 G C 1.628 176.495 174.900 -0.055 0.000 1.240 823 G CA 1.032 46.098 45.100 -0.056 0.000 0.794 823 G HN 0.203 nan 8.290 nan 0.000 0.580 824 L N 0.128 121.311 121.223 -0.067 0.000 2.123 824 L HA -0.244 4.096 4.340 -0.000 0.000 0.217 824 L C 2.876 179.716 176.870 -0.051 0.000 1.081 824 L CA 1.118 55.922 54.840 -0.061 0.000 0.772 824 L CB -0.572 41.444 42.059 -0.073 0.000 0.890 824 L HN 0.282 nan 8.230 nan 0.000 0.437 825 I N 0.428 120.966 120.570 -0.054 0.000 2.086 825 I HA -0.293 3.877 4.170 -0.000 0.000 0.233 825 I C 2.277 178.373 176.117 -0.035 0.000 1.060 825 I CA 1.772 63.046 61.300 -0.044 0.000 1.326 825 I CB -0.517 37.455 38.000 -0.047 0.000 1.067 825 I HN 0.388 nan 8.210 nan 0.000 0.398 826 D N -0.364 120.016 120.400 -0.033 0.000 2.228 826 D HA -0.206 4.434 4.640 -0.000 0.000 0.203 826 D C 1.826 178.112 176.300 -0.023 0.000 0.988 826 D CA 1.515 55.501 54.000 -0.024 0.000 0.864 826 D CB -0.884 39.903 40.800 -0.022 0.000 0.928 826 D HN 0.165 nan 8.370 nan 0.000 0.469 827 T N -0.760 113.777 114.554 -0.028 0.000 2.881 827 T HA -0.036 4.313 4.350 -0.000 0.000 0.270 827 T C 1.847 176.533 174.700 -0.023 0.000 1.068 827 T CA 1.426 63.511 62.100 -0.026 0.000 1.131 827 T CB -0.343 68.506 68.868 -0.031 0.000 0.871 827 T HN 0.444 nan 8.240 nan 0.000 0.479 828 A N -0.078 122.727 122.820 -0.024 0.000 2.218 828 A HA 0.278 4.598 4.320 -0.000 0.000 0.209 828 A C 2.147 179.721 177.584 -0.016 0.000 1.168 828 A CA 0.324 52.348 52.037 -0.022 0.000 0.804 828 A CB -0.044 18.941 19.000 -0.025 0.000 0.834 828 A HN 0.369 nan 8.150 nan 0.000 0.482 829 V N -0.525 119.380 119.914 -0.014 0.000 2.543 829 V HA -0.050 4.070 4.120 -0.000 0.000 0.232 829 V C 2.209 178.302 176.094 -0.001 0.000 1.087 829 V CA 1.523 63.819 62.300 -0.007 0.000 1.113 829 V CB -0.665 31.153 31.823 -0.008 0.000 0.779 829 V HN 0.292 nan 8.190 nan 0.000 0.495 830 K N 0.544 120.942 120.400 -0.004 0.000 2.127 830 K HA -0.246 4.074 4.320 -0.000 0.000 0.212 830 K C 2.259 178.857 176.600 -0.003 0.000 1.050 830 K CA 2.254 58.540 56.287 -0.002 0.000 0.929 830 K CB -1.119 31.375 32.500 -0.010 0.000 0.715 830 K HN 0.547 nan 8.250 nan 0.000 0.457 831 T N -0.501 114.048 114.554 -0.008 0.000 2.555 831 T HA -0.217 4.133 4.350 -0.000 0.000 0.264 831 T C 1.776 176.478 174.700 0.002 0.000 1.083 831 T CA 2.220 64.314 62.100 -0.009 0.000 1.179 831 T CB -0.416 68.444 68.868 -0.014 0.000 0.863 831 T HN 0.310 nan 8.240 nan 0.000 0.412 832 A N 0.365 123.188 122.820 0.006 0.000 1.933 832 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 832 A C 2.192 179.807 177.584 0.051 0.000 1.175 832 A CA 2.195 54.243 52.037 0.019 0.000 0.628 832 A CB -0.892 18.111 19.000 0.005 0.000 0.814 832 A HN 0.774 nan 8.150 nan 0.000 0.444 833 E N -0.813 119.415 120.200 0.047 0.000 2.058 833 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 833 E C 2.045 178.694 176.600 0.082 0.000 0.997 833 E CA 1.849 58.295 56.400 0.077 0.000 0.801 833 E CB -0.180 29.550 29.700 0.049 0.000 0.746 833 E HN 0.570 nan 8.360 nan 0.000 0.450 834 T N -0.442 114.135 114.554 0.038 0.000 2.622 834 T HA -0.168 4.182 4.350 -0.000 0.000 0.266 834 T C 1.715 176.431 174.700 0.027 0.000 1.047 834 T CA 1.374 63.481 62.100 0.012 0.000 1.159 834 T CB -0.955 67.906 68.868 -0.013 0.000 0.863 834 T HN 0.468 nan 8.240 nan 0.000 0.422 835 G N 0.469 109.292 108.800 0.038 0.000 2.624 835 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.221 835 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.221 835 G C 1.401 176.374 174.900 0.122 0.000 1.169 835 G CA 1.485 46.617 45.100 0.054 0.000 0.771 835 G HN 0.508 nan 8.290 nan 0.000 0.598 836 Y N 1.683 121.987 120.300 0.008 0.000 2.114 836 Y HA -0.105 4.445 4.550 -0.000 0.000 0.284 836 Y C 2.749 178.672 175.900 0.038 0.000 1.143 836 Y CA 1.142 59.264 58.100 0.036 0.000 1.135 836 Y CB -0.615 37.869 38.460 0.040 0.000 0.980 836 Y HN 0.260 nan 8.280 nan 0.000 0.499 837 I N -0.054 120.487 120.570 -0.048 0.000 2.087 837 I HA -0.439 3.731 4.170 -0.000 0.000 0.240 837 I C 2.654 178.684 176.117 -0.144 0.000 1.054 837 I CA 1.934 63.143 61.300 -0.152 0.000 1.311 837 I CB -0.794 37.159 38.000 -0.079 0.000 1.024 837 I HN 0.260 nan 8.210 nan 0.000 0.402 838 Q N 0.795 120.543 119.800 -0.087 0.000 2.082 838 Q HA -0.314 4.026 4.340 -0.000 0.000 0.211 838 Q C 2.296 178.232 176.000 -0.107 0.000 1.002 838 Q CA 2.468 58.213 55.803 -0.096 0.000 0.868 838 Q CB -0.314 28.382 28.738 -0.070 0.000 0.931 838 Q HN 0.436 nan 8.270 nan 0.000 0.414 839 R N 0.064 120.533 120.500 -0.053 0.000 2.088 839 R HA -0.166 4.174 4.340 -0.000 0.000 0.232 839 R C 2.426 178.638 176.300 -0.147 0.000 1.136 839 R CA 2.075 58.154 56.100 -0.035 0.000 0.926 839 R CB -0.219 30.156 30.300 0.124 0.000 0.837 839 R HN 0.158 nan 8.270 nan 0.000 0.429 840 R N 0.362 120.754 120.500 -0.179 0.000 2.134 840 R HA -0.196 4.144 4.340 -0.000 0.000 0.248 840 R C 2.484 178.549 176.300 -0.392 0.000 1.143 840 R CA 2.153 58.079 56.100 -0.291 0.000 0.957 840 R CB -0.837 29.306 30.300 -0.262 0.000 0.867 840 R HN 0.302 nan 8.270 nan 0.000 0.441 841 L N 0.131 121.173 121.223 -0.302 0.000 2.012 841 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 841 L C 2.368 179.034 176.870 -0.341 0.000 1.073 841 L CA 1.302 55.955 54.840 -0.312 0.000 0.748 841 L CB -0.365 41.560 42.059 -0.222 0.000 0.891 841 L HN 0.114 nan 8.230 nan 0.000 0.431 842 V N -0.621 119.129 119.914 -0.274 0.000 2.307 842 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 842 V C 2.385 178.299 176.094 -0.299 0.000 1.045 842 V CA 1.443 63.597 62.300 -0.242 0.000 1.024 842 V CB -0.465 31.256 31.823 -0.169 0.000 0.651 842 V HN 0.340 nan 8.190 nan 0.000 0.449 843 K N 0.181 120.367 120.400 -0.356 0.000 2.515 843 K HA 0.045 4.365 4.320 -0.000 0.000 0.196 843 K C 1.837 178.086 176.600 -0.586 0.000 1.038 843 K CA 1.112 57.167 56.287 -0.387 0.000 0.967 843 K CB -0.364 31.840 32.500 -0.493 0.000 0.780 843 K HN 0.504 nan 8.250 nan 0.000 0.483 844 A N -0.181 122.127 122.820 -0.853 0.000 2.195 844 A HA 0.134 4.454 4.320 -0.000 0.000 0.210 844 A C 1.576 178.787 177.584 -0.621 0.000 1.165 844 A CA 0.301 51.576 52.037 -1.270 0.000 0.806 844 A CB 0.172 18.293 19.000 -1.465 0.000 0.847 844 A HN 0.202 nan 8.150 nan 0.000 0.482 845 L N -1.647 119.338 121.223 -0.397 0.000 3.086 845 L HA 0.174 4.514 4.340 -0.000 0.000 0.274 845 L C 1.353 178.118 176.870 -0.175 0.000 1.184 845 L CA -0.056 54.637 54.840 -0.244 0.000 1.002 845 L CB -0.178 41.760 42.059 -0.202 0.000 1.383 845 L HN 0.270 nan 8.230 nan 0.000 0.582 846 E N 1.921 122.012 120.200 -0.181 0.000 2.242 846 E HA -0.341 4.009 4.350 -0.000 0.000 0.247 846 E C 1.067 177.605 176.600 -0.103 0.000 1.056 846 E CA 2.365 58.686 56.400 -0.131 0.000 0.999 846 E CB -0.345 29.288 29.700 -0.110 0.000 0.891 846 E HN 0.595 nan 8.360 nan 0.000 0.512 847 D N 0.893 121.243 120.400 -0.083 0.000 2.392 847 D HA -0.098 4.542 4.640 -0.000 0.000 0.228 847 D C 0.519 176.794 176.300 -0.042 0.000 1.003 847 D CA 0.526 54.492 54.000 -0.057 0.000 0.917 847 D CB -0.513 40.265 40.800 -0.036 0.000 0.890 847 D HN 0.196 nan 8.370 nan 0.000 0.532 848 I N 0.897 121.432 120.570 -0.058 0.000 2.395 848 I HA 0.279 4.449 4.170 -0.000 0.000 0.289 848 I C 0.621 176.707 176.117 -0.052 0.000 1.023 848 I CA -0.574 60.706 61.300 -0.034 0.000 1.350 848 I CB 0.938 38.913 38.000 -0.041 0.000 1.409 848 I HN 0.010 nan 8.210 nan 0.000 0.507 849 M N 4.767 124.353 119.600 -0.023 0.000 2.843 849 M HA 0.620 5.100 4.480 -0.000 0.000 0.273 849 M C -1.812 174.462 176.300 -0.043 0.000 1.286 849 M CA -0.894 54.343 55.300 -0.104 0.000 0.807 849 M CB 2.218 34.706 32.600 -0.187 0.000 1.684 849 M HN 0.100 nan 8.290 nan 0.000 0.458 850 V N 2.126 121.949 119.914 -0.152 0.000 2.383 850 V HA 0.384 4.504 4.120 -0.000 0.000 0.275 850 V C -0.274 175.748 176.094 -0.120 0.000 1.036 850 V CA -0.306 61.946 62.300 -0.080 0.000 0.889 850 V CB 0.750 32.475 31.823 -0.165 0.000 0.985 850 V HN 0.690 nan 8.190 nan 0.000 0.459 851 H N 3.844 122.861 119.070 -0.088 0.000 2.482 851 H HA 0.172 4.728 4.556 -0.000 0.000 0.344 851 H C 0.326 175.634 175.328 -0.032 0.000 1.151 851 H CA -0.321 55.680 56.048 -0.079 0.000 1.300 851 H CB 1.245 31.001 29.762 -0.010 0.000 1.494 851 H HN 0.644 nan 8.280 nan 0.000 0.542 852 Y N 0.859 121.227 120.300 0.112 0.000 2.694 852 Y HA -0.249 4.301 4.550 -0.000 0.000 0.279 852 Y C 1.411 177.361 175.900 0.085 0.000 1.166 852 Y CA 1.168 59.318 58.100 0.083 0.000 1.480 852 Y CB -0.016 38.491 38.460 0.078 0.000 0.956 852 Y HN 0.654 nan 8.280 nan 0.000 0.595 853 D N -3.038 117.506 120.400 0.241 0.000 2.431 853 D HA 0.023 4.663 4.640 -0.000 0.000 0.213 853 D C 0.389 176.776 176.300 0.144 0.000 1.130 853 D CA 0.121 54.224 54.000 0.172 0.000 0.834 853 D CB -0.209 40.679 40.800 0.148 0.000 0.985 853 D HN 0.077 nan 8.370 nan 0.000 0.504 854 N N -1.046 117.737 118.700 0.139 0.000 2.984 854 N HA -0.182 4.558 4.740 -0.000 0.000 0.227 854 N C -0.068 175.524 175.510 0.136 0.000 0.903 854 N CA 1.269 54.394 53.050 0.124 0.000 0.995 854 N CB -1.701 36.858 38.487 0.120 0.000 1.065 854 N HN 0.466 nan 8.380 nan 0.000 0.585 855 T N 0.209 114.840 114.554 0.128 0.000 2.788 855 T HA 0.326 4.676 4.350 -0.000 0.000 0.287 855 T C 0.164 174.913 174.700 0.082 0.000 1.007 855 T CA 0.670 62.819 62.100 0.082 0.000 1.005 855 T CB 0.774 69.650 68.868 0.014 0.000 1.012 855 T HN 0.111 nan 8.240 nan 0.000 0.530 856 T N 4.450 119.018 114.554 0.023 0.000 3.150 856 T HA 0.437 4.787 4.350 -0.000 0.000 0.383 856 T C -0.380 174.299 174.700 -0.035 0.000 1.313 856 T CA -0.542 61.588 62.100 0.050 0.000 1.235 856 T CB 0.144 69.073 68.868 0.102 0.000 1.088 856 T HN 0.534 nan 8.240 nan 0.000 0.556 857 R N 1.921 122.391 120.500 -0.050 0.000 2.873 857 R HA 0.582 4.922 4.340 -0.000 0.000 0.264 857 R C 0.587 176.868 176.300 -0.033 0.000 1.026 857 R CA -1.104 54.913 56.100 -0.137 0.000 1.002 857 R CB 1.487 31.581 30.300 -0.343 0.000 1.174 857 R HN 0.623 nan 8.270 nan 0.000 0.488 858 N N -1.290 117.381 118.700 -0.049 0.000 2.593 858 N HA 0.055 4.795 4.740 -0.000 0.000 0.304 858 N C 0.354 175.866 175.510 0.002 0.000 1.296 858 N CA -0.583 52.459 53.050 -0.013 0.000 0.950 858 N CB 0.603 39.072 38.487 -0.030 0.000 1.127 858 N HN 0.511 nan 8.380 nan 0.000 0.587 859 S N -0.893 114.810 115.700 0.005 0.000 2.595 859 S HA 0.005 4.474 4.470 -0.000 0.000 0.235 859 S C 1.399 175.999 174.600 0.000 0.000 0.974 859 S CA 0.219 58.426 58.200 0.012 0.000 0.942 859 S CB -0.583 62.620 63.200 0.004 0.000 0.766 859 S HN 0.504 nan 8.310 nan 0.000 0.536 860 L N -0.015 121.198 121.223 -0.017 0.000 2.556 860 L HA 0.344 4.684 4.340 -0.000 0.000 0.226 860 L C 1.958 178.803 176.870 -0.042 0.000 1.089 860 L CA 0.527 55.354 54.840 -0.022 0.000 0.864 860 L CB -0.243 41.805 42.059 -0.019 0.000 1.067 860 L HN 0.568 nan 8.230 nan 0.000 0.477 861 G N 0.099 108.853 108.800 -0.077 0.000 2.175 861 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.244 861 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.244 861 G C 0.048 174.870 174.900 -0.131 0.000 0.982 861 G CA -0.128 44.893 45.100 -0.133 0.000 0.641 861 G HN 0.350 nan 8.290 nan 0.000 0.527 862 N N 0.604 119.247 118.700 -0.095 0.000 2.454 862 N HA 0.392 5.132 4.740 -0.000 0.000 0.260 862 N C 0.597 176.023 175.510 -0.141 0.000 1.218 862 N CA 0.139 53.134 53.050 -0.091 0.000 0.904 862 N CB 1.330 39.783 38.487 -0.057 0.000 1.065 862 N HN 0.254 nan 8.380 nan 0.000 0.462 863 V N 2.965 122.766 119.914 -0.188 0.000 2.686 863 V HA 0.114 4.233 4.120 -0.000 0.000 0.295 863 V C 1.232 177.165 176.094 -0.269 0.000 1.055 863 V CA -0.067 62.049 62.300 -0.307 0.000 1.050 863 V CB 0.920 32.403 31.823 -0.567 0.000 0.984 863 V HN 0.555 nan 8.190 nan 0.000 0.482 864 I N 1.586 122.016 120.570 -0.233 0.000 3.971 864 I HA 0.200 4.370 4.170 -0.000 0.000 0.303 864 I C 0.699 176.731 176.117 -0.142 0.000 1.233 864 I CA 0.820 62.038 61.300 -0.138 0.000 1.346 864 I CB 0.330 38.291 38.000 -0.066 0.000 1.273 864 I HN 0.628 nan 8.210 nan 0.000 0.448 865 Q N -1.064 118.638 119.800 -0.164 0.000 2.315 865 Q HA 0.353 4.693 4.340 -0.000 0.000 0.273 865 Q C -0.334 175.581 176.000 -0.142 0.000 1.053 865 Q CA -0.493 55.268 55.803 -0.071 0.000 0.817 865 Q CB 2.312 31.089 28.738 0.064 0.000 1.326 865 Q HN 0.009 nan 8.270 nan 0.000 0.423 866 F N 0.512 120.500 119.950 0.062 0.000 2.206 866 F HA 0.057 4.584 4.527 -0.000 0.000 0.298 866 F C 0.734 176.578 175.800 0.074 0.000 1.090 866 F CA 0.800 58.835 58.000 0.057 0.000 1.323 866 F CB 0.534 39.561 39.000 0.045 0.000 1.028 866 F HN 0.366 nan 8.300 nan 0.000 0.492 867 I N -1.271 119.447 120.570 0.246 0.000 2.478 867 I HA 0.128 4.298 4.170 -0.000 0.000 0.287 867 I C -0.815 175.409 176.117 0.179 0.000 1.042 867 I CA -1.347 60.067 61.300 0.190 0.000 1.067 867 I CB 0.961 39.056 38.000 0.157 0.000 1.233 867 I HN -0.130 nan 8.210 nan 0.000 0.431 868 Y N 6.667 127.009 120.300 0.070 0.000 2.881 868 Y HA 0.279 4.829 4.550 -0.000 0.000 0.335 868 Y C 1.451 177.396 175.900 0.074 0.000 1.263 868 Y CA 1.142 59.277 58.100 0.058 0.000 1.572 868 Y CB 0.217 38.700 38.460 0.038 0.000 1.237 868 Y HN 0.898 nan 8.280 nan 0.000 0.568 869 G N 4.274 112.731 108.800 -0.570 0.000 2.168 869 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.257 869 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.257 869 G C 0.466 175.331 174.900 -0.059 0.000 0.997 869 G CA 0.592 45.438 45.100 -0.423 0.000 0.708 869 G HN 0.960 nan 8.290 nan 0.000 0.520 870 E N -1.482 118.729 120.200 0.019 0.000 3.170 870 E HA -0.294 4.056 4.350 -0.000 0.000 0.284 870 E C 1.103 177.723 176.600 0.033 0.000 0.967 870 E CA 1.492 57.934 56.400 0.069 0.000 0.919 870 E CB -0.597 29.167 29.700 0.106 0.000 1.469 870 E HN 0.891 nan 8.360 nan 0.000 0.444 871 D N -2.268 118.136 120.400 0.008 0.000 2.249 871 D HA 0.066 4.706 4.640 -0.000 0.000 0.371 871 D C 1.161 177.472 176.300 0.018 0.000 1.055 871 D CA 0.876 54.885 54.000 0.015 0.000 0.897 871 D CB -0.257 40.539 40.800 -0.007 0.000 1.466 871 D HN 0.341 nan 8.370 nan 0.000 0.516 872 G N 1.125 109.942 108.800 0.028 0.000 2.148 872 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.254 872 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.254 872 G C -0.036 174.883 174.900 0.033 0.000 0.981 872 G CA 0.740 45.884 45.100 0.074 0.000 0.670 872 G HN 0.353 nan 8.290 nan 0.000 0.528 873 M N 0.945 120.540 119.600 -0.009 0.000 2.318 873 M HA 0.516 4.996 4.480 -0.000 0.000 0.347 873 M C -0.082 176.280 176.300 0.103 0.000 1.175 873 M CA -1.777 53.496 55.300 -0.045 0.000 1.075 873 M CB 1.420 33.953 32.600 -0.112 0.000 1.614 873 M HN 0.176 nan 8.290 nan 0.000 0.456 874 D N 2.280 122.745 120.400 0.108 0.000 2.336 874 D HA 0.376 5.016 4.640 -0.000 0.000 0.249 874 D C 0.765 177.185 176.300 0.201 0.000 1.213 874 D CA 0.036 54.165 54.000 0.216 0.000 0.870 874 D CB 0.920 41.853 40.800 0.222 0.000 1.076 874 D HN 0.688 nan 8.370 nan 0.000 0.483 875 A N 3.936 126.864 122.820 0.180 0.000 2.204 875 A HA -0.124 4.196 4.320 -0.000 0.000 0.220 875 A C 2.040 179.679 177.584 0.092 0.000 1.165 875 A CA 1.857 53.959 52.037 0.108 0.000 0.671 875 A CB -0.555 18.480 19.000 0.059 0.000 0.792 875 A HN 0.678 nan 8.150 nan 0.000 0.473 876 A N -1.574 121.299 122.820 0.088 0.000 2.014 876 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 876 A C 1.393 178.911 177.584 -0.109 0.000 1.163 876 A CA 0.715 52.730 52.037 -0.037 0.000 0.652 876 A CB -0.504 18.438 19.000 -0.098 0.000 0.808 876 A HN 0.661 nan 8.150 nan 0.000 0.449 877 H N -0.410 118.679 119.070 0.031 0.000 2.638 877 H HA 0.465 5.021 4.556 -0.000 0.000 0.293 877 H C -0.907 174.433 175.328 0.020 0.000 1.316 877 H CA 0.157 56.218 56.048 0.021 0.000 1.099 877 H CB -0.360 29.386 29.762 -0.027 0.000 1.515 877 H HN 0.342 nan 8.280 nan 0.000 0.505 878 I N 0.718 121.370 120.570 0.136 0.000 2.802 878 I HA 0.251 4.421 4.170 -0.000 0.000 0.298 878 I C -0.560 175.648 176.117 0.152 0.000 1.176 878 I CA -0.743 60.632 61.300 0.124 0.000 1.025 878 I CB 2.977 41.048 38.000 0.118 0.000 1.243 878 I HN 0.105 nan 8.210 nan 0.000 0.424 879 E N 3.019 123.286 120.200 0.110 0.000 2.383 879 E HA 0.313 4.663 4.350 -0.000 0.000 0.275 879 E C -1.364 175.283 176.600 0.079 0.000 0.918 879 E CA -1.183 55.258 56.400 0.068 0.000 0.764 879 E CB 2.875 32.538 29.700 -0.060 0.000 1.252 879 E HN 0.359 nan 8.360 nan 0.000 0.449 880 K N 2.549 122.981 120.400 0.054 0.000 2.378 880 K HA 0.060 4.379 4.320 -0.000 0.000 0.288 880 K C -0.622 176.009 176.600 0.052 0.000 1.057 880 K CA 0.375 56.687 56.287 0.043 0.000 0.971 880 K CB 0.421 32.909 32.500 -0.020 0.000 0.975 880 K HN 0.399 nan 8.250 nan 0.000 0.475 881 Q N 1.664 121.529 119.800 0.108 0.000 2.359 881 Q HA 0.259 4.599 4.340 -0.000 0.000 0.275 881 Q C -0.811 175.277 176.000 0.145 0.000 1.082 881 Q CA -1.051 54.822 55.803 0.117 0.000 0.849 881 Q CB 2.033 30.861 28.738 0.150 0.000 1.377 881 Q HN 0.706 nan 8.270 nan 0.000 0.452 882 S N 0.750 116.527 115.700 0.128 0.000 2.451 882 S HA 0.427 4.897 4.470 -0.000 0.000 0.301 882 S C -0.280 174.420 174.600 0.167 0.000 1.116 882 S CA -0.760 57.529 58.200 0.148 0.000 1.093 882 S CB 0.368 63.627 63.200 0.099 0.000 1.017 882 S HN 0.563 nan 8.310 nan 0.000 0.482 883 L N 4.398 125.744 121.223 0.206 0.000 2.423 883 L HA 0.203 4.543 4.340 -0.000 0.000 0.249 883 L C 0.993 177.946 176.870 0.138 0.000 1.276 883 L CA -0.530 54.405 54.840 0.158 0.000 1.199 883 L CB -0.638 41.512 42.059 0.152 0.000 1.407 883 L HN 0.801 nan 8.230 nan 0.000 0.410 884 D N 0.945 121.434 120.400 0.149 0.000 2.797 884 D HA -0.307 4.333 4.640 -0.000 0.000 0.222 884 D C 1.720 178.121 176.300 0.168 0.000 1.070 884 D CA 2.476 56.581 54.000 0.177 0.000 0.926 884 D CB -0.129 40.822 40.800 0.252 0.000 1.136 884 D HN 0.451 nan 8.370 nan 0.000 0.487 885 T N 1.555 116.189 114.554 0.134 0.000 2.719 885 T HA -0.295 4.055 4.350 -0.000 0.000 0.254 885 T C 1.968 176.686 174.700 0.030 0.000 1.106 885 T CA 1.868 64.005 62.100 0.061 0.000 1.146 885 T CB -0.678 68.151 68.868 -0.065 0.000 0.839 885 T HN 0.284 nan 8.240 nan 0.000 0.473 886 I N 0.380 120.973 120.570 0.039 0.000 2.052 886 I HA -0.076 4.094 4.170 -0.000 0.000 0.235 886 I C 1.708 177.898 176.117 0.122 0.000 1.046 886 I CA 1.726 63.058 61.300 0.054 0.000 1.308 886 I CB -0.791 37.255 38.000 0.077 0.000 1.031 886 I HN 0.390 nan 8.210 nan 0.000 0.395 887 G N -0.694 108.183 108.800 0.129 0.000 2.525 887 G HA2 0.407 4.367 3.960 -0.000 0.000 0.276 887 G HA3 0.407 4.367 3.960 -0.000 0.000 0.276 887 G C -0.073 174.931 174.900 0.174 0.000 1.388 887 G CA 0.185 45.388 45.100 0.171 0.000 1.050 887 G HN 1.002 nan 8.290 nan 0.000 0.520 888 G N -1.809 107.095 108.800 0.172 0.000 2.722 888 G HA2 0.266 4.226 3.960 -0.000 0.000 0.686 888 G HA3 0.266 4.226 3.960 -0.000 0.000 0.686 888 G C 0.167 175.141 174.900 0.124 0.000 1.282 888 G CA 0.243 45.431 45.100 0.147 0.000 0.817 888 G HN 1.979 nan 8.290 nan 0.000 0.605 889 S N 0.750 116.513 115.700 0.105 0.000 2.549 889 S HA 0.281 4.751 4.470 -0.000 0.000 0.286 889 S C 1.144 175.806 174.600 0.104 0.000 1.314 889 S CA 0.499 58.746 58.200 0.077 0.000 1.062 889 S CB 1.478 64.720 63.200 0.070 0.000 0.865 889 S HN 0.595 nan 8.310 nan 0.000 0.498 890 D N 2.426 122.862 120.400 0.060 0.000 2.239 890 D HA -0.182 4.458 4.640 -0.000 0.000 0.202 890 D C 2.041 178.450 176.300 0.180 0.000 0.993 890 D CA 1.635 55.689 54.000 0.089 0.000 0.874 890 D CB -0.485 40.336 40.800 0.035 0.000 0.922 890 D HN 0.751 nan 8.370 nan 0.000 0.464 891 A N 1.772 124.668 122.820 0.127 0.000 1.844 891 A HA -0.160 4.160 4.320 -0.000 0.000 0.214 891 A C 2.434 180.108 177.584 0.150 0.000 1.217 891 A CA 2.652 54.761 52.037 0.120 0.000 0.644 891 A CB -1.187 17.861 19.000 0.081 0.000 0.850 891 A HN 0.245 nan 8.150 nan 0.000 0.456 892 A N -1.900 121.000 122.820 0.133 0.000 2.084 892 A HA -0.084 4.236 4.320 -0.000 0.000 0.221 892 A C 1.976 179.668 177.584 0.180 0.000 1.161 892 A CA 1.861 53.971 52.037 0.121 0.000 0.653 892 A CB -0.809 18.250 19.000 0.098 0.000 0.802 892 A HN 0.826 nan 8.150 nan 0.000 0.457 893 F N 0.747 120.765 119.950 0.113 0.000 2.069 893 F HA -0.204 4.323 4.527 -0.000 0.000 0.298 893 F C 2.156 178.093 175.800 0.228 0.000 1.113 893 F CA 2.319 60.418 58.000 0.166 0.000 1.214 893 F CB -0.395 38.655 39.000 0.083 0.000 0.978 893 F HN 0.435 nan 8.300 nan 0.000 0.474 894 E N 0.446 120.799 120.200 0.255 0.000 2.038 894 E HA -0.326 4.023 4.350 -0.000 0.000 0.195 894 E C 2.295 178.929 176.600 0.057 0.000 1.000 894 E CA 1.569 58.100 56.400 0.219 0.000 0.803 894 E CB -0.368 29.487 29.700 0.258 0.000 0.750 894 E HN 0.430 nan 8.360 nan 0.000 0.448 895 K N 0.389 120.799 120.400 0.017 0.000 2.362 895 K HA -0.216 4.104 4.320 -0.000 0.000 0.202 895 K C 2.139 178.665 176.600 -0.124 0.000 1.045 895 K CA 1.214 57.458 56.287 -0.072 0.000 0.936 895 K CB 0.018 32.489 32.500 -0.048 0.000 0.747 895 K HN 0.001 nan 8.250 nan 0.000 0.467 896 R N -1.069 119.346 120.500 -0.142 0.000 2.072 896 R HA -0.003 4.337 4.340 -0.000 0.000 0.214 896 R C 1.230 177.246 176.300 -0.474 0.000 1.168 896 R CA 0.681 56.581 56.100 -0.333 0.000 1.020 896 R CB -0.008 30.044 30.300 -0.413 0.000 0.914 896 R HN 0.169 nan 8.270 nan 0.000 0.449 897 Y N 0.320 120.402 120.300 -0.364 0.000 2.466 897 Y HA 0.272 4.822 4.550 -0.000 0.000 0.272 897 Y C 0.413 176.275 175.900 -0.064 0.000 1.169 897 Y CA -0.309 57.589 58.100 -0.336 0.000 1.285 897 Y CB 0.045 38.117 38.460 -0.648 0.000 1.078 897 Y HN -0.130 nan 8.280 nan 0.000 0.523 898 R N 1.269 121.892 120.500 0.205 0.000 2.389 898 R HA 0.408 4.748 4.340 -0.000 0.000 0.295 898 R C -1.409 174.936 176.300 0.074 0.000 1.075 898 R CA -0.439 55.830 56.100 0.283 0.000 1.005 898 R CB 0.261 30.643 30.300 0.136 0.000 0.987 898 R HN -0.072 nan 8.270 nan 0.000 0.452 899 V N 5.132 125.091 119.914 0.075 0.000 2.509 899 V HA 0.216 4.336 4.120 -0.000 0.000 0.289 899 V C -1.095 175.003 176.094 0.008 0.000 1.026 899 V CA -0.872 61.441 62.300 0.022 0.000 0.872 899 V CB 1.653 33.487 31.823 0.018 0.000 1.017 899 V HN 0.706 nan 8.190 nan 0.000 0.436 900 D N 4.417 124.827 120.400 0.018 0.000 2.460 900 D HA 0.380 5.020 4.640 -0.000 0.000 0.232 900 D C 0.800 177.106 176.300 0.010 0.000 1.079 900 D CA -0.302 53.703 54.000 0.009 0.000 0.864 900 D CB 1.703 42.521 40.800 0.029 0.000 1.048 900 D HN 0.414 nan 8.370 nan 0.000 0.523 901 L N 2.827 124.047 121.223 -0.005 0.000 2.465 901 L HA 0.046 4.386 4.340 -0.000 0.000 0.224 901 L C 1.504 178.367 176.870 -0.012 0.000 1.145 901 L CA 0.557 55.392 54.840 -0.008 0.000 0.834 901 L CB 0.051 42.102 42.059 -0.013 0.000 0.944 901 L HN 0.379 nan 8.230 nan 0.000 0.451 902 L N -0.006 121.207 121.223 -0.018 0.000 2.888 902 L HA 0.210 4.550 4.340 -0.000 0.000 0.237 902 L C -0.067 176.784 176.870 -0.031 0.000 1.288 902 L CA 0.116 54.941 54.840 -0.025 0.000 1.110 902 L CB -0.764 41.276 42.059 -0.031 0.000 1.441 902 L HN 0.279 nan 8.230 nan 0.000 0.474 903 N N -1.223 117.465 118.700 -0.020 0.000 2.452 903 N HA 0.109 4.849 4.740 -0.000 0.000 0.277 903 N C 0.248 175.758 175.510 -0.000 0.000 1.078 903 N CA -0.265 52.769 53.050 -0.027 0.000 0.947 903 N CB 1.770 40.223 38.487 -0.056 0.000 1.655 903 N HN -0.181 nan 8.380 nan 0.000 0.490 904 T N 0.990 115.539 114.554 -0.009 0.000 3.227 904 T HA 0.030 4.380 4.350 -0.000 0.000 0.257 904 T C -0.022 174.694 174.700 0.027 0.000 1.162 904 T CA 0.771 62.873 62.100 0.004 0.000 1.051 904 T CB -0.119 68.746 68.868 -0.005 0.000 0.953 904 T HN 0.513 nan 8.240 nan 0.000 0.535 905 D N -0.762 119.674 120.400 0.060 0.000 2.453 905 D HA 0.066 4.705 4.640 -0.000 0.000 0.256 905 D C 0.221 176.748 176.300 0.378 0.000 1.152 905 D CA 0.132 54.224 54.000 0.154 0.000 0.818 905 D CB 0.589 41.460 40.800 0.119 0.000 1.259 905 D HN 0.311 nan 8.370 nan 0.000 0.531 906 H N -0.269 118.783 119.070 -0.031 0.000 2.750 906 H HA 0.259 4.815 4.556 -0.000 0.000 0.252 906 H C -0.097 175.208 175.328 -0.038 0.000 1.176 906 H CA -0.173 55.853 56.048 -0.036 0.000 0.987 906 H CB 0.785 30.520 29.762 -0.045 0.000 1.810 906 H HN -0.133 nan 8.280 nan 0.000 0.630 907 T N 0.104 114.696 114.554 0.064 0.000 2.922 907 T HA 0.502 4.852 4.350 -0.000 0.000 0.281 907 T C -0.123 174.571 174.700 -0.009 0.000 1.005 907 T CA -0.772 61.339 62.100 0.018 0.000 0.982 907 T CB 0.670 69.544 68.868 0.009 0.000 1.158 907 T HN 0.138 nan 8.240 nan 0.000 0.566 908 L N 3.212 124.423 121.223 -0.020 0.000 2.315 908 L HA 0.280 4.620 4.340 -0.000 0.000 0.283 908 L C 0.751 177.607 176.870 -0.024 0.000 1.089 908 L CA -0.626 54.195 54.840 -0.032 0.000 0.833 908 L CB 0.361 42.396 42.059 -0.039 0.000 1.170 908 L HN 0.676 nan 8.230 nan 0.000 0.442 909 D N 7.050 127.436 120.400 -0.024 0.000 2.488 909 D HA -0.001 4.639 4.640 -0.000 0.000 0.238 909 D C -1.523 174.766 176.300 -0.018 0.000 1.138 909 D CA -1.250 52.739 54.000 -0.017 0.000 0.873 909 D CB 1.562 42.351 40.800 -0.018 0.000 1.183 909 D HN 0.336 nan 8.370 nan 0.000 0.458 910 P HA -0.106 nan 4.420 nan 0.000 0.236 910 P C 1.060 178.354 177.300 -0.011 0.000 1.172 910 P CA 0.457 63.548 63.100 -0.014 0.000 0.759 910 P CB 0.014 31.707 31.700 -0.012 0.000 0.843 911 S N -0.411 115.283 115.700 -0.010 0.000 2.387 911 S HA -0.076 4.394 4.470 -0.000 0.000 0.226 911 S C 1.911 176.509 174.600 -0.003 0.000 1.026 911 S CA 0.539 58.737 58.200 -0.004 0.000 0.972 911 S CB -1.322 61.877 63.200 -0.002 0.000 0.814 911 S HN 0.099 nan 8.310 nan 0.000 0.477 912 L N 0.391 121.607 121.223 -0.011 0.000 1.995 912 L HA 0.284 4.624 4.340 -0.000 0.000 0.206 912 L C 1.360 178.219 176.870 -0.018 0.000 1.098 912 L CA 0.185 55.016 54.840 -0.014 0.000 0.762 912 L CB -0.994 41.047 42.059 -0.030 0.000 0.900 912 L HN 0.307 nan 8.230 nan 0.000 0.441 913 L N 0.244 121.449 121.223 -0.029 0.000 2.464 913 L HA 0.034 4.374 4.340 -0.000 0.000 0.264 913 L C 1.145 177.998 176.870 -0.027 0.000 1.199 913 L CA 0.519 55.338 54.840 -0.035 0.000 0.818 913 L CB 0.619 42.652 42.059 -0.043 0.000 1.102 913 L HN 0.231 nan 8.230 nan 0.000 0.473 914 E N 0.262 120.445 120.200 -0.029 0.000 2.042 914 E HA -0.088 4.262 4.350 -0.000 0.000 0.189 914 E C 1.279 177.866 176.600 -0.023 0.000 0.974 914 E CA 0.967 57.354 56.400 -0.023 0.000 0.806 914 E CB 0.069 29.755 29.700 -0.024 0.000 0.769 914 E HN 0.862 nan 8.360 nan 0.000 0.451 915 S N -0.117 115.566 115.700 -0.028 0.000 2.906 915 S HA 0.129 4.598 4.470 -0.000 0.000 0.234 915 S C 1.491 176.077 174.600 -0.024 0.000 0.973 915 S CA 0.052 58.237 58.200 -0.026 0.000 1.036 915 S CB 0.101 63.283 63.200 -0.029 0.000 0.798 915 S HN 0.370 nan 8.310 nan 0.000 0.498 916 G N 3.381 112.167 108.800 -0.023 0.000 2.639 916 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.216 916 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.216 916 G C 1.747 176.637 174.900 -0.017 0.000 1.267 916 G CA 1.443 46.530 45.100 -0.021 0.000 0.801 916 G HN 0.817 nan 8.290 nan 0.000 0.592 917 S N 1.416 117.107 115.700 -0.014 0.000 2.383 917 S HA -0.180 4.290 4.470 -0.000 0.000 0.229 917 S C 2.018 176.610 174.600 -0.013 0.000 1.030 917 S CA 1.965 60.158 58.200 -0.012 0.000 1.002 917 S CB -0.461 62.733 63.200 -0.010 0.000 0.829 917 S HN 0.788 nan 8.310 nan 0.000 0.467 918 E N 0.156 120.348 120.200 -0.014 0.000 2.489 918 E HA 0.249 4.599 4.350 -0.000 0.000 0.193 918 E C 1.599 178.189 176.600 -0.016 0.000 1.057 918 E CA 0.075 56.467 56.400 -0.014 0.000 0.866 918 E CB -0.217 29.475 29.700 -0.014 0.000 0.916 918 E HN 0.662 nan 8.360 nan 0.000 0.500 919 I N 0.461 121.021 120.570 -0.017 0.000 3.708 919 I HA 0.118 4.288 4.170 -0.000 0.000 0.302 919 I C 0.740 176.847 176.117 -0.016 0.000 1.255 919 I CA -0.320 60.969 61.300 -0.019 0.000 1.362 919 I CB 0.610 38.596 38.000 -0.023 0.000 1.100 919 I HN 0.207 nan 8.210 nan 0.000 0.434 920 L N 2.198 123.412 121.223 -0.015 0.000 2.700 920 L HA -0.013 4.327 4.340 -0.000 0.000 0.276 920 L C 1.212 178.074 176.870 -0.014 0.000 1.200 920 L CA 1.242 56.074 54.840 -0.013 0.000 0.951 920 L CB 0.031 42.083 42.059 -0.011 0.000 1.226 920 L HN 0.577 nan 8.230 nan 0.000 0.489 921 G N 2.752 111.543 108.800 -0.015 0.000 2.225 921 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.254 921 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.254 921 G C 0.352 175.243 174.900 -0.015 0.000 0.988 921 G CA 0.196 45.287 45.100 -0.016 0.000 0.625 921 G HN 0.749 nan 8.290 nan 0.000 0.527 922 D N 1.111 121.502 120.400 -0.015 0.000 2.376 922 D HA 0.133 4.773 4.640 -0.000 0.000 0.278 922 D C 1.743 178.034 176.300 -0.015 0.000 1.384 922 D CA -0.020 53.971 54.000 -0.015 0.000 1.033 922 D CB -0.008 40.782 40.800 -0.016 0.000 1.102 922 D HN 0.294 nan 8.370 nan 0.000 0.530 923 L N 3.972 125.186 121.223 -0.015 0.000 2.265 923 L HA -0.144 4.196 4.340 -0.000 0.000 0.215 923 L C 2.233 179.095 176.870 -0.013 0.000 1.117 923 L CA 0.781 55.612 54.840 -0.015 0.000 0.782 923 L CB 0.039 42.089 42.059 -0.014 0.000 0.914 923 L HN 0.332 nan 8.230 nan 0.000 0.441 924 K N -0.342 120.051 120.400 -0.012 0.000 2.217 924 K HA -0.096 4.224 4.320 -0.000 0.000 0.202 924 K C 1.895 178.488 176.600 -0.011 0.000 1.051 924 K CA 0.872 57.152 56.287 -0.011 0.000 0.952 924 K CB 0.129 32.622 32.500 -0.012 0.000 0.736 924 K HN 0.392 nan 8.250 nan 0.000 0.453 925 L N 0.530 121.745 121.223 -0.013 0.000 2.145 925 L HA -0.063 4.277 4.340 -0.000 0.000 0.201 925 L C 2.299 179.163 176.870 -0.010 0.000 1.075 925 L CA 0.534 55.366 54.840 -0.013 0.000 0.773 925 L CB -0.446 41.603 42.059 -0.017 0.000 0.936 925 L HN 0.080 nan 8.230 nan 0.000 0.451 926 Q N 0.222 120.015 119.800 -0.011 0.000 2.389 926 Q HA -0.160 4.180 4.340 -0.000 0.000 0.213 926 Q C 2.178 178.175 176.000 -0.005 0.000 0.989 926 Q CA 1.105 56.902 55.803 -0.010 0.000 0.891 926 Q CB -0.527 28.201 28.738 -0.017 0.000 0.923 926 Q HN 0.397 nan 8.270 nan 0.000 0.455 927 V N 0.585 120.496 119.914 -0.005 0.000 2.216 927 V HA -0.278 3.842 4.120 -0.000 0.000 0.243 927 V C 2.438 178.536 176.094 0.006 0.000 1.044 927 V CA 1.642 63.941 62.300 -0.001 0.000 0.995 927 V CB -0.836 30.985 31.823 -0.004 0.000 0.633 927 V HN 0.271 nan 8.190 nan 0.000 0.446 928 L N -0.417 120.808 121.223 0.003 0.000 1.970 928 L HA -0.195 4.145 4.340 -0.000 0.000 0.212 928 L C 2.509 179.391 176.870 0.019 0.000 1.071 928 L CA 1.357 56.200 54.840 0.006 0.000 0.751 928 L CB -0.781 41.276 42.059 -0.002 0.000 0.889 928 L HN 0.294 nan 8.230 nan 0.000 0.432 929 L N -0.214 121.020 121.223 0.018 0.000 2.351 929 L HA -0.243 4.097 4.340 -0.000 0.000 0.220 929 L C 1.859 178.773 176.870 0.074 0.000 1.127 929 L CA 1.617 56.480 54.840 0.038 0.000 0.786 929 L CB -1.087 40.984 42.059 0.021 0.000 0.914 929 L HN 0.408 nan 8.230 nan 0.000 0.443 930 D N -1.144 119.288 120.400 0.054 0.000 2.324 930 D HA -0.089 4.551 4.640 -0.000 0.000 0.212 930 D C 1.999 178.355 176.300 0.093 0.000 0.984 930 D CA 0.347 54.391 54.000 0.073 0.000 0.885 930 D CB 0.429 41.245 40.800 0.026 0.000 0.996 930 D HN 0.353 nan 8.370 nan 0.000 0.505 931 E N 1.109 121.343 120.200 0.057 0.000 2.072 931 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 931 E C 1.852 178.483 176.600 0.051 0.000 0.985 931 E CA 0.783 57.208 56.400 0.042 0.000 0.801 931 E CB 0.242 29.953 29.700 0.019 0.000 0.750 931 E HN 0.286 nan 8.360 nan 0.000 0.452 932 E N -0.244 119.991 120.200 0.059 0.000 2.007 932 E HA -0.262 4.088 4.350 -0.000 0.000 0.194 932 E C 2.028 178.670 176.600 0.070 0.000 0.999 932 E CA 1.232 57.661 56.400 0.050 0.000 0.811 932 E CB -0.484 29.248 29.700 0.053 0.000 0.762 932 E HN 0.388 nan 8.360 nan 0.000 0.450 933 Y N 1.437 121.745 120.300 0.013 0.000 2.256 933 Y HA -0.238 4.312 4.550 -0.000 0.000 0.288 933 Y C 2.434 178.363 175.900 0.049 0.000 1.155 933 Y CA 2.226 60.344 58.100 0.029 0.000 1.203 933 Y CB 0.026 38.503 38.460 0.029 0.000 0.980 933 Y HN 0.034 nan 8.280 nan 0.000 0.530 934 K N -0.226 120.320 120.400 0.244 0.000 2.097 934 K HA -0.273 4.047 4.320 -0.000 0.000 0.205 934 K C 2.162 178.797 176.600 0.058 0.000 1.050 934 K CA 1.672 58.059 56.287 0.168 0.000 0.938 934 K CB -0.115 32.448 32.500 0.105 0.000 0.718 934 K HN 0.295 nan 8.250 nan 0.000 0.442 935 Q N 1.034 120.842 119.800 0.013 0.000 2.016 935 Q HA -0.062 4.278 4.340 -0.000 0.000 0.200 935 Q C 2.014 177.969 176.000 -0.075 0.000 0.978 935 Q CA 1.527 57.307 55.803 -0.039 0.000 0.833 935 Q CB -0.220 28.489 28.738 -0.049 0.000 0.895 935 Q HN 0.352 nan 8.270 nan 0.000 0.427 936 L N -0.471 120.689 121.223 -0.105 0.000 2.051 936 L HA -0.201 4.139 4.340 -0.000 0.000 0.214 936 L C 2.358 179.184 176.870 -0.073 0.000 1.076 936 L CA 1.468 56.214 54.840 -0.157 0.000 0.758 936 L CB -0.882 40.986 42.059 -0.317 0.000 0.890 936 L HN 0.222 nan 8.230 nan 0.000 0.433 937 V N -0.093 119.794 119.914 -0.046 0.000 2.871 937 V HA -0.210 3.910 4.120 -0.000 0.000 0.256 937 V C 2.568 178.594 176.094 -0.114 0.000 1.082 937 V CA 1.579 63.827 62.300 -0.087 0.000 1.105 937 V CB -0.237 31.626 31.823 0.067 0.000 0.713 937 V HN 0.441 nan 8.190 nan 0.000 0.473 938 K N -0.351 120.010 120.400 -0.064 0.000 2.031 938 K HA -0.173 4.147 4.320 -0.000 0.000 0.205 938 K C 1.811 178.381 176.600 -0.051 0.000 1.049 938 K CA 1.825 58.082 56.287 -0.050 0.000 0.939 938 K CB -0.305 32.170 32.500 -0.041 0.000 0.717 938 K HN 0.450 nan 8.250 nan 0.000 0.438 939 D N 0.862 121.211 120.400 -0.086 0.000 2.106 939 D HA -0.220 4.419 4.640 -0.000 0.000 0.191 939 D C 1.989 178.265 176.300 -0.040 0.000 0.997 939 D CA 1.207 55.159 54.000 -0.079 0.000 0.834 939 D CB -0.323 40.397 40.800 -0.134 0.000 0.956 939 D HN 0.247 nan 8.370 nan 0.000 0.448 940 R N 0.765 121.183 120.500 -0.137 0.000 2.159 940 R HA -0.219 4.121 4.340 -0.000 0.000 0.249 940 R C 2.013 178.229 176.300 -0.140 0.000 1.136 940 R CA 1.832 57.809 56.100 -0.205 0.000 0.951 940 R CB 0.120 30.145 30.300 -0.459 0.000 0.876 940 R HN 0.018 nan 8.270 nan 0.000 0.440 941 K N -0.299 120.030 120.400 -0.117 0.000 2.057 941 K HA -0.164 4.156 4.320 -0.000 0.000 0.206 941 K C 1.941 178.496 176.600 -0.076 0.000 1.050 941 K CA 1.410 57.641 56.287 -0.094 0.000 0.935 941 K CB -0.655 31.800 32.500 -0.075 0.000 0.715 941 K HN 0.244 nan 8.250 nan 0.000 0.439 942 F N 2.275 122.129 119.950 -0.159 0.000 2.091 942 F HA -0.223 4.303 4.527 -0.000 0.000 0.299 942 F C 1.970 177.631 175.800 -0.232 0.000 1.103 942 F CA 1.407 59.301 58.000 -0.177 0.000 1.228 942 F CB -0.194 38.698 39.000 -0.181 0.000 0.984 942 F HN -0.115 nan 8.300 nan 0.000 0.477 943 L N -0.023 121.147 121.223 -0.088 0.000 2.046 943 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 943 L C 2.426 179.116 176.870 -0.300 0.000 1.077 943 L CA 1.423 56.086 54.840 -0.296 0.000 0.747 943 L CB -0.865 41.079 42.059 -0.193 0.000 0.896 943 L HN 0.087 nan 8.230 nan 0.000 0.432 944 R N -0.025 120.390 120.500 -0.142 0.000 2.341 944 R HA -0.157 4.183 4.340 -0.000 0.000 0.213 944 R C 1.822 178.058 176.300 -0.107 0.000 1.082 944 R CA 0.707 56.792 56.100 -0.026 0.000 1.017 944 R CB -0.092 30.221 30.300 0.021 0.000 0.860 944 R HN 0.496 nan 8.270 nan 0.000 0.473 945 E N 0.006 120.043 120.200 -0.271 0.000 2.251 945 E HA -0.027 4.323 4.350 -0.000 0.000 0.194 945 E C 1.559 177.942 176.600 -0.362 0.000 0.964 945 E CA 0.210 56.419 56.400 -0.317 0.000 0.868 945 E CB 0.539 29.977 29.700 -0.436 0.000 0.828 945 E HN 0.041 nan 8.360 nan 0.000 0.481 946 V N 0.362 119.966 119.914 -0.516 0.000 2.374 946 V HA -0.007 4.113 4.120 -0.000 0.000 0.241 946 V C 0.974 177.021 176.094 -0.078 0.000 1.034 946 V CA 0.981 63.010 62.300 -0.452 0.000 1.037 946 V CB -0.071 31.276 31.823 -0.793 0.000 0.682 946 V HN 0.204 nan 8.190 nan 0.000 0.463 947 F N 0.303 120.072 119.950 -0.302 0.000 2.611 947 F HA 0.230 4.757 4.527 -0.000 0.000 0.321 947 F C 1.467 177.203 175.800 -0.107 0.000 1.208 947 F CA -0.725 57.148 58.000 -0.211 0.000 1.249 947 F CB 0.360 39.220 39.000 -0.234 0.000 1.514 947 F HN -0.059 nan 8.300 nan 0.000 0.561 948 V N 0.003 119.961 119.914 0.074 0.000 2.311 948 V HA -0.413 3.706 4.120 -0.000 0.000 0.256 948 V C 2.135 178.277 176.094 0.080 0.000 1.077 948 V CA 2.338 64.675 62.300 0.062 0.000 1.067 948 V CB -0.494 31.331 31.823 0.003 0.000 0.659 948 V HN 0.538 nan 8.190 nan 0.000 0.451 949 D N -0.140 120.272 120.400 0.020 0.000 2.191 949 D HA -0.186 4.454 4.640 -0.000 0.000 0.190 949 D C 1.806 177.982 176.300 -0.207 0.000 1.007 949 D CA 2.632 56.604 54.000 -0.047 0.000 0.865 949 D CB -0.395 40.387 40.800 -0.031 0.000 0.929 949 D HN 0.637 nan 8.370 nan 0.000 0.447 950 G N -0.704 107.923 108.800 -0.288 0.000 2.259 950 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.217 950 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.217 950 G C 0.220 174.918 174.900 -0.336 0.000 1.001 950 G CA 0.425 45.012 45.100 -0.856 0.000 0.627 950 G HN 0.523 nan 8.290 nan 0.000 0.501 951 E N 1.149 121.279 120.200 -0.116 0.000 2.708 951 E HA 0.434 4.784 4.350 -0.000 0.000 0.260 951 E C 1.172 177.948 176.600 0.292 0.000 0.937 951 E CA 1.202 57.611 56.400 0.015 0.000 0.953 951 E CB 0.649 30.332 29.700 -0.029 0.000 0.915 951 E HN 0.984 nan 8.360 nan 0.000 0.487 952 A N 5.071 128.011 122.820 0.200 0.000 2.431 952 A HA 0.145 4.465 4.320 -0.000 0.000 0.239 952 A C 0.017 177.831 177.584 0.384 0.000 1.230 952 A CA -0.339 51.902 52.037 0.339 0.000 0.928 952 A CB 0.148 19.253 19.000 0.176 0.000 1.006 952 A HN 0.537 nan 8.150 nan 0.000 0.520 953 N N 0.201 118.948 118.700 0.077 0.000 2.426 953 N HA 0.434 5.174 4.740 -0.000 0.000 0.257 953 N C -1.687 173.556 175.510 -0.446 0.000 1.002 953 N CA 0.232 53.240 53.050 -0.069 0.000 0.942 953 N CB 0.737 39.122 38.487 -0.170 0.000 1.112 953 N HN 0.409 nan 8.380 nan 0.000 0.499 954 W N 1.970 123.275 121.300 0.007 0.000 3.107 954 W HA 0.393 5.053 4.660 -0.000 0.000 0.331 954 W C -2.214 174.335 176.519 0.051 0.000 1.204 954 W CA -1.527 55.822 57.345 0.007 0.000 1.184 954 W CB 0.970 30.478 29.460 0.080 0.000 1.421 954 W HN 0.283 nan 8.180 nan 0.000 0.544 955 P HA 0.384 nan 4.420 nan 0.000 0.282 955 P C -0.961 176.478 177.300 0.231 0.000 1.262 955 P CA 0.313 63.539 63.100 0.211 0.000 0.773 955 P CB 1.298 33.124 31.700 0.210 0.000 0.879 956 L N 4.863 126.201 121.223 0.192 0.000 2.465 956 L HA 0.513 4.853 4.340 -0.000 0.000 0.257 956 L C -2.431 174.500 176.870 0.102 0.000 0.988 956 L CA -2.634 52.313 54.840 0.178 0.000 0.827 956 L CB 3.289 45.514 42.059 0.278 0.000 1.397 956 L HN 0.182 nan 8.230 nan 0.000 0.410 957 P HA 0.142 nan 4.420 nan 0.000 0.274 957 P C -0.669 176.560 177.300 -0.117 0.000 1.237 957 P CA 0.054 63.068 63.100 -0.143 0.000 0.793 957 P CB 1.233 32.694 31.700 -0.399 0.000 0.977 958 V N -0.393 119.485 119.914 -0.060 0.000 4.190 958 V HA -0.212 3.908 4.120 -0.000 0.000 0.437 958 V C 0.628 176.794 176.094 0.120 0.000 0.680 958 V CA 0.138 62.458 62.300 0.035 0.000 1.799 958 V CB -2.098 29.765 31.823 0.068 0.000 2.188 958 V HN 0.884 nan 8.190 nan 0.000 0.488 959 N N 4.648 123.388 118.700 0.066 0.000 2.410 959 N HA 0.176 4.916 4.740 -0.000 0.000 0.281 959 N C 0.961 176.500 175.510 0.050 0.000 1.241 959 N CA 0.235 53.317 53.050 0.053 0.000 0.998 959 N CB 0.423 38.910 38.487 -0.001 0.000 1.376 959 N HN 0.749 nan 8.380 nan 0.000 0.490 960 I N 2.166 122.789 120.570 0.089 0.000 2.493 960 I HA -0.217 3.953 4.170 -0.000 0.000 0.254 960 I C 2.430 178.536 176.117 -0.019 0.000 1.160 960 I CA 0.439 61.769 61.300 0.051 0.000 1.445 960 I CB -0.094 37.958 38.000 0.086 0.000 1.086 960 I HN 0.547 nan 8.210 nan 0.000 0.433 961 R N 1.608 122.100 120.500 -0.014 0.000 2.096 961 R HA -0.205 4.135 4.340 -0.000 0.000 0.229 961 R C 2.460 178.702 176.300 -0.096 0.000 1.134 961 R CA 1.789 57.852 56.100 -0.062 0.000 0.917 961 R CB -0.268 30.013 30.300 -0.032 0.000 0.832 961 R HN 0.212 nan 8.270 nan 0.000 0.430 962 R N 0.350 120.809 120.500 -0.068 0.000 2.094 962 R HA -0.177 4.163 4.340 -0.000 0.000 0.239 962 R C 2.487 178.758 176.300 -0.048 0.000 1.137 962 R CA 1.924 57.981 56.100 -0.071 0.000 0.943 962 R CB -0.808 29.470 30.300 -0.037 0.000 0.850 962 R HN 0.418 nan 8.270 nan 0.000 0.433 963 I N 0.784 121.331 120.570 -0.039 0.000 2.576 963 I HA -0.333 3.837 4.170 -0.000 0.000 0.263 963 I C 1.808 177.922 176.117 -0.004 0.000 1.183 963 I CA 1.372 62.644 61.300 -0.047 0.000 1.432 963 I CB 0.077 38.033 38.000 -0.074 0.000 1.100 963 I HN 0.244 nan 8.210 nan 0.000 0.452 964 I N -0.709 119.833 120.570 -0.047 0.000 2.810 964 I HA -0.183 3.987 4.170 -0.000 0.000 0.262 964 I C 2.320 178.436 176.117 -0.002 0.000 1.131 964 I CA 0.392 61.660 61.300 -0.053 0.000 1.453 964 I CB -0.142 37.660 38.000 -0.331 0.000 1.161 964 I HN 0.146 nan 8.210 nan 0.000 0.444 965 Q N 0.916 120.668 119.800 -0.079 0.000 2.062 965 Q HA -0.253 4.087 4.340 -0.000 0.000 0.209 965 Q C 1.903 177.905 176.000 0.004 0.000 0.996 965 Q CA 1.919 57.660 55.803 -0.103 0.000 0.859 965 Q CB -0.260 28.310 28.738 -0.279 0.000 0.920 965 Q HN 0.515 nan 8.270 nan 0.000 0.415 966 N N 0.640 119.390 118.700 0.084 0.000 2.069 966 N HA -0.191 4.549 4.740 -0.000 0.000 0.191 966 N C 1.757 177.324 175.510 0.095 0.000 1.031 966 N CA 1.452 54.590 53.050 0.147 0.000 0.852 966 N CB -0.599 38.072 38.487 0.307 0.000 1.018 966 N HN 0.268 nan 8.380 nan 0.000 0.423 967 A N 2.164 125.195 122.820 0.351 0.000 1.903 967 A HA -0.248 4.071 4.320 -0.000 0.000 0.219 967 A C 2.190 179.834 177.584 0.099 0.000 1.191 967 A CA 1.473 53.654 52.037 0.240 0.000 0.638 967 A CB -0.595 18.743 19.000 0.564 0.000 0.823 967 A HN 0.313 nan 8.150 nan 0.000 0.451 968 Q N -0.502 119.355 119.800 0.094 0.000 1.858 968 Q HA -0.304 4.035 4.340 -0.000 0.000 0.240 968 Q C 2.335 178.326 176.000 -0.014 0.000 1.014 968 Q CA 2.161 58.005 55.803 0.069 0.000 0.884 968 Q CB -0.706 28.076 28.738 0.074 0.000 0.957 968 Q HN 1.012 nan 8.270 nan 0.000 0.419 969 Q N -0.018 119.763 119.800 -0.032 0.000 2.500 969 Q HA -0.053 4.287 4.340 -0.000 0.000 0.213 969 Q C 1.489 177.275 176.000 -0.357 0.000 0.974 969 Q CA 1.333 57.088 55.803 -0.081 0.000 0.918 969 Q CB -0.104 28.659 28.738 0.041 0.000 0.980 969 Q HN 0.167 nan 8.270 nan 0.000 0.505 970 T N 0.169 114.425 114.554 -0.497 0.000 2.904 970 T HA -0.013 4.337 4.350 -0.000 0.000 0.267 970 T C 0.248 174.231 174.700 -1.194 0.000 1.059 970 T CA 0.995 62.555 62.100 -0.900 0.000 1.137 970 T CB -0.078 67.967 68.868 -1.371 0.000 0.879 970 T HN 0.431 nan 8.240 nan 0.000 0.467 971 F N 0.127 119.736 119.950 -0.569 0.000 2.654 971 F HA 0.303 4.830 4.527 -0.000 0.000 0.303 971 F C 0.547 176.145 175.800 -0.337 0.000 1.099 971 F CA -0.658 57.063 58.000 -0.465 0.000 1.270 971 F CB 0.010 38.838 39.000 -0.286 0.000 1.024 971 F HN 0.143 nan 8.300 nan 0.000 0.548 972 H N -0.536 118.545 119.070 0.018 0.000 2.781 972 H HA -0.216 4.340 4.556 -0.000 0.000 0.301 972 H C 0.782 176.097 175.328 -0.021 0.000 1.124 972 H CA 0.515 56.557 56.048 -0.010 0.000 1.154 972 H CB -2.104 27.650 29.762 -0.014 0.000 1.355 972 H HN 0.341 nan 8.280 nan 0.000 0.385 973 I N 3.338 123.938 120.570 0.049 0.000 3.148 973 I HA -0.181 3.989 4.170 -0.000 0.000 0.317 973 I C 0.894 176.933 176.117 -0.131 0.000 1.237 973 I CA 1.018 62.314 61.300 -0.006 0.000 1.423 973 I CB 0.216 38.225 38.000 0.016 0.000 1.352 973 I HN 0.196 nan 8.210 nan 0.000 0.526 974 D N 7.297 127.652 120.400 -0.075 0.000 2.313 974 D HA 0.049 4.689 4.640 -0.000 0.000 0.239 974 D C 0.711 176.986 176.300 -0.043 0.000 1.142 974 D CA -0.519 53.423 54.000 -0.097 0.000 0.847 974 D CB 0.760 41.551 40.800 -0.016 0.000 1.082 974 D HN 0.446 nan 8.370 nan 0.000 0.480 975 H N 1.681 120.786 119.070 0.059 0.000 2.567 975 H HA -0.050 4.506 4.556 -0.000 0.000 0.281 975 H C 1.372 176.722 175.328 0.036 0.000 1.055 975 H CA 1.038 57.116 56.048 0.051 0.000 1.185 975 H CB -0.340 29.455 29.762 0.055 0.000 1.325 975 H HN 0.624 nan 8.280 nan 0.000 0.622 976 T N -2.839 111.783 114.554 0.113 0.000 3.111 976 T HA 0.096 4.446 4.350 -0.000 0.000 0.236 976 T C 1.158 175.887 174.700 0.049 0.000 0.984 976 T CA -0.286 61.858 62.100 0.073 0.000 1.195 976 T CB 0.956 69.856 68.868 0.053 0.000 0.929 976 T HN 0.027 nan 8.240 nan 0.000 0.431 977 K N 2.463 122.886 120.400 0.037 0.000 2.143 977 K HA 0.315 4.635 4.320 -0.000 0.000 0.239 977 K C -2.390 174.225 176.600 0.026 0.000 1.048 977 K CA -1.571 54.732 56.287 0.025 0.000 0.867 977 K CB -0.013 32.498 32.500 0.018 0.000 1.088 977 K HN 0.284 nan 8.250 nan 0.000 0.510 978 P HA 0.063 nan 4.420 nan 0.000 0.290 978 P C -0.664 176.637 177.300 0.002 0.000 1.275 978 P CA -0.409 62.695 63.100 0.007 0.000 0.841 978 P CB 1.777 33.476 31.700 -0.001 0.000 1.042 979 S N 1.125 116.824 115.700 -0.003 0.000 2.617 979 S HA 0.124 4.594 4.470 -0.000 0.000 0.255 979 S C 0.347 174.931 174.600 -0.026 0.000 1.318 979 S CA -0.005 58.187 58.200 -0.013 0.000 0.978 979 S CB -0.185 63.002 63.200 -0.021 0.000 0.961 979 S HN 0.645 nan 8.310 nan 0.000 0.582 980 D N 1.091 121.468 120.400 -0.038 0.000 2.940 980 D HA 0.212 4.852 4.640 -0.000 0.000 0.366 980 D C -0.652 175.610 176.300 -0.063 0.000 1.446 980 D CA -0.215 53.760 54.000 -0.043 0.000 0.780 980 D CB -0.779 40.000 40.800 -0.036 0.000 1.206 980 D HN 0.317 nan 8.370 nan 0.000 0.454 981 L N 0.675 121.846 121.223 -0.086 0.000 2.309 981 L HA 0.397 4.736 4.340 -0.000 0.000 0.282 981 L C 0.485 177.282 176.870 -0.121 0.000 1.036 981 L CA -0.488 54.270 54.840 -0.136 0.000 0.806 981 L CB 1.924 43.857 42.059 -0.209 0.000 1.220 981 L HN -0.123 nan 8.230 nan 0.000 0.429 982 T N 2.498 116.979 114.554 -0.121 0.000 2.913 982 T HA 0.148 4.498 4.350 -0.000 0.000 0.297 982 T C 1.229 175.862 174.700 -0.112 0.000 1.029 982 T CA -0.259 61.785 62.100 -0.093 0.000 1.104 982 T CB 1.270 70.093 68.868 -0.074 0.000 0.964 982 T HN 0.466 nan 8.240 nan 0.000 0.532 983 I N 1.195 121.715 120.570 -0.084 0.000 3.241 983 I HA -0.037 4.133 4.170 -0.000 0.000 0.280 983 I C 2.101 178.172 176.117 -0.077 0.000 1.320 983 I CA 1.169 62.419 61.300 -0.083 0.000 1.413 983 I CB -0.096 37.870 38.000 -0.056 0.000 1.060 983 I HN 0.558 nan 8.210 nan 0.000 0.500 984 K N -0.172 120.182 120.400 -0.076 0.000 2.313 984 K HA -0.044 4.276 4.320 -0.000 0.000 0.197 984 K C 1.465 178.020 176.600 -0.075 0.000 1.061 984 K CA 0.181 56.433 56.287 -0.059 0.000 0.980 984 K CB 0.230 32.704 32.500 -0.042 0.000 0.888 984 K HN 0.155 nan 8.250 nan 0.000 0.502 985 D N 1.538 121.871 120.400 -0.112 0.000 2.120 985 D HA -0.201 4.439 4.640 -0.000 0.000 0.191 985 D C 1.888 178.067 176.300 -0.202 0.000 0.994 985 D CA 1.452 55.367 54.000 -0.141 0.000 0.838 985 D CB -0.313 40.363 40.800 -0.207 0.000 0.976 985 D HN 0.122 nan 8.370 nan 0.000 0.447 986 I N 0.619 120.952 120.570 -0.396 0.000 2.077 986 I HA -0.344 3.826 4.170 -0.000 0.000 0.231 986 I C 2.653 178.719 176.117 -0.085 0.000 1.011 986 I CA 1.063 62.071 61.300 -0.486 0.000 1.304 986 I CB -0.807 36.944 38.000 -0.416 0.000 1.019 986 I HN -0.088 nan 8.210 nan 0.000 0.388 987 V N 1.100 120.977 119.914 -0.061 0.000 2.252 987 V HA -0.329 3.790 4.120 -0.000 0.000 0.255 987 V C 2.328 178.436 176.094 0.024 0.000 1.071 987 V CA 2.406 64.705 62.300 -0.002 0.000 1.050 987 V CB -0.584 31.231 31.823 -0.015 0.000 0.654 987 V HN 0.375 nan 8.190 nan 0.000 0.448 988 L N -0.401 120.829 121.223 0.012 0.000 2.395 988 L HA 0.050 4.390 4.340 -0.000 0.000 0.218 988 L C 2.450 179.355 176.870 0.059 0.000 1.130 988 L CA 1.061 55.916 54.840 0.024 0.000 0.826 988 L CB -0.916 41.149 42.059 0.009 0.000 0.941 988 L HN 0.455 nan 8.230 nan 0.000 0.451 989 G N 0.026 108.898 108.800 0.119 0.000 2.404 989 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.213 989 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.213 989 G C 1.556 176.551 174.900 0.159 0.000 1.189 989 G CA 0.717 45.937 45.100 0.201 0.000 0.796 989 G HN 0.126 nan 8.290 nan 0.000 0.532 990 V N 1.215 121.254 119.914 0.208 0.000 2.332 990 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 990 V C 2.613 178.724 176.094 0.028 0.000 1.055 990 V CA 2.276 64.641 62.300 0.108 0.000 1.038 990 V CB -0.523 31.378 31.823 0.130 0.000 0.651 990 V HN 0.431 nan 8.190 nan 0.000 0.450 991 K N -0.520 119.898 120.400 0.030 0.000 2.280 991 K HA -0.215 4.105 4.320 -0.000 0.000 0.202 991 K C 1.810 178.403 176.600 -0.011 0.000 1.047 991 K CA 1.497 57.781 56.287 -0.004 0.000 0.942 991 K CB -0.114 32.385 32.500 -0.002 0.000 0.739 991 K HN 0.451 nan 8.250 nan 0.000 0.457 992 D N 0.066 120.470 120.400 0.006 0.000 2.301 992 D HA -0.074 4.566 4.640 -0.000 0.000 0.206 992 D C 1.815 178.103 176.300 -0.020 0.000 0.979 992 D CA 0.212 54.211 54.000 -0.003 0.000 0.874 992 D CB 0.270 41.080 40.800 0.016 0.000 0.968 992 D HN 0.160 nan 8.370 nan 0.000 0.510 993 L N 1.553 122.763 121.223 -0.022 0.000 2.012 993 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 993 L C 2.117 178.938 176.870 -0.081 0.000 1.073 993 L CA 1.831 56.640 54.840 -0.050 0.000 0.748 993 L CB -0.727 41.297 42.059 -0.060 0.000 0.891 993 L HN -0.029 nan 8.230 nan 0.000 0.431 994 Q N -0.496 119.253 119.800 -0.085 0.000 2.077 994 Q HA -0.237 4.103 4.340 -0.000 0.000 0.206 994 Q C 1.983 177.920 176.000 -0.105 0.000 0.989 994 Q CA 1.699 57.435 55.803 -0.111 0.000 0.853 994 Q CB -0.514 28.164 28.738 -0.100 0.000 0.907 994 Q HN 0.577 nan 8.270 nan 0.000 0.418 995 E N 0.466 120.622 120.200 -0.073 0.000 2.394 995 E HA -0.161 4.189 4.350 -0.000 0.000 0.202 995 E C 1.048 177.609 176.600 -0.065 0.000 1.029 995 E CA 0.797 57.162 56.400 -0.059 0.000 0.855 995 E CB -0.105 29.572 29.700 -0.038 0.000 0.770 995 E HN 0.407 nan 8.360 nan 0.000 0.527 996 N N -0.405 118.242 118.700 -0.088 0.000 2.227 996 N HA 0.056 4.795 4.740 -0.000 0.000 0.196 996 N C 0.576 175.998 175.510 -0.146 0.000 1.142 996 N CA -0.014 52.984 53.050 -0.087 0.000 0.887 996 N CB 0.589 39.038 38.487 -0.063 0.000 1.022 996 N HN 0.125 nan 8.380 nan 0.000 0.500 997 L N 2.218 123.267 121.223 -0.290 0.000 2.679 997 L HA 0.112 4.452 4.340 -0.000 0.000 0.241 997 L C -0.190 176.478 176.870 -0.336 0.000 1.441 997 L CA -0.168 54.256 54.840 -0.693 0.000 1.181 997 L CB -0.934 40.448 42.059 -1.129 0.000 1.451 997 L HN -0.111 nan 8.230 nan 0.000 0.446 998 L N 0.663 121.867 121.223 -0.032 0.000 2.455 998 L HA 0.001 4.341 4.340 -0.000 0.000 0.272 998 L C 1.004 178.016 176.870 0.237 0.000 1.174 998 L CA 0.681 55.576 54.840 0.093 0.000 0.869 998 L CB 1.233 43.325 42.059 0.056 0.000 1.130 998 L HN 0.120 nan 8.230 nan 0.000 0.474 999 V N 3.157 123.180 119.914 0.181 0.000 2.996 999 V HA 0.240 4.360 4.120 -0.000 0.000 0.235 999 V C 0.341 176.492 176.094 0.095 0.000 1.205 999 V CA 0.274 62.668 62.300 0.157 0.000 1.225 999 V CB 0.514 32.440 31.823 0.173 0.000 0.995 999 V HN 0.457 nan 8.190 nan 0.000 0.484 1000 L N -1.082 120.192 121.223 0.084 0.000 2.299 1000 L HA 0.574 4.914 4.340 -0.000 0.000 0.268 1000 L C 0.946 177.849 176.870 0.054 0.000 1.012 1000 L CA 0.077 54.959 54.840 0.070 0.000 0.816 1000 L CB 1.337 43.438 42.059 0.070 0.000 1.355 1000 L HN -0.122 nan 8.230 nan 0.000 0.457 1001 R N -0.777 119.752 120.500 0.048 0.000 2.650 1001 R HA 0.234 4.574 4.340 -0.000 0.000 0.212 1001 R C 0.394 176.710 176.300 0.027 0.000 0.904 1001 R CA 0.171 56.291 56.100 0.034 0.000 1.021 1001 R CB 0.500 30.818 30.300 0.030 0.000 1.519 1001 R HN 0.794 nan 8.270 nan 0.000 0.639 1002 G N 2.245 111.064 108.800 0.033 0.000 2.472 1002 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.232 1002 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.232 1002 G C -0.468 174.442 174.900 0.017 0.000 1.029 1002 G CA 0.239 45.355 45.100 0.027 0.000 0.882 1002 G HN 0.159 nan 8.290 nan 0.000 0.455 1003 K N 2.307 122.715 120.400 0.013 0.000 2.229 1003 K HA 0.245 4.565 4.320 -0.000 0.000 0.247 1003 K C 0.006 176.610 176.600 0.007 0.000 1.117 1003 K CA -0.228 56.064 56.287 0.008 0.000 1.036 1003 K CB 0.077 32.580 32.500 0.006 0.000 1.654 1003 K HN 0.808 nan 8.250 nan 0.000 0.405 1004 N N -1.032 117.672 118.700 0.006 0.000 4.107 1004 N HA -0.090 4.650 4.740 -0.000 0.000 0.213 1004 N C 0.260 175.770 175.510 -0.001 0.000 1.216 1004 N CA -0.655 52.396 53.050 0.003 0.000 0.925 1004 N CB 0.625 39.115 38.487 0.006 0.000 1.541 1004 N HN 0.056 nan 8.380 nan 0.000 0.524 1005 E N 1.324 121.521 120.200 -0.005 0.000 2.082 1005 E HA -0.244 4.106 4.350 -0.000 0.000 0.215 1005 E C 1.127 177.719 176.600 -0.013 0.000 1.048 1005 E CA 2.833 59.227 56.400 -0.010 0.000 0.869 1005 E CB -0.329 29.364 29.700 -0.011 0.000 0.773 1005 E HN 0.626 nan 8.360 nan 0.000 0.466 1006 I N 0.226 120.788 120.570 -0.014 0.000 2.053 1006 I HA -0.351 3.819 4.170 -0.000 0.000 0.236 1006 I C 2.351 178.459 176.117 -0.016 0.000 1.038 1006 I CA 1.492 62.779 61.300 -0.022 0.000 1.304 1006 I CB -0.570 37.417 38.000 -0.020 0.000 1.023 1006 I HN 0.262 nan 8.210 nan 0.000 0.395 1007 I N 0.312 120.882 120.570 0.001 0.000 2.091 1007 I HA -0.326 3.844 4.170 -0.000 0.000 0.239 1007 I C 2.657 178.779 176.117 0.010 0.000 1.061 1007 I CA 1.767 63.075 61.300 0.014 0.000 1.317 1007 I CB -1.549 36.467 38.000 0.026 0.000 1.031 1007 I HN 0.442 nan 8.210 nan 0.000 0.401 1008 Q N 0.387 120.190 119.800 0.005 0.000 2.197 1008 Q HA -0.206 4.134 4.340 -0.000 0.000 0.207 1008 Q C 2.022 178.018 176.000 -0.007 0.000 0.984 1008 Q CA 1.206 57.009 55.803 0.000 0.000 0.869 1008 Q CB -0.551 28.184 28.738 -0.004 0.000 0.906 1008 Q HN 0.546 nan 8.270 nan 0.000 0.426 1009 N N 0.118 118.810 118.700 -0.014 0.000 2.135 1009 N HA -0.072 4.668 4.740 -0.000 0.000 0.186 1009 N C 1.623 177.121 175.510 -0.019 0.000 1.027 1009 N CA 1.199 54.236 53.050 -0.022 0.000 0.849 1009 N CB 0.000 38.469 38.487 -0.030 0.000 1.002 1009 N HN 0.199 nan 8.380 nan 0.000 0.425 1010 A N 1.004 123.814 122.820 -0.016 0.000 1.986 1010 A HA -0.241 4.078 4.320 -0.000 0.000 0.220 1010 A C 2.156 179.750 177.584 0.017 0.000 1.171 1010 A CA 1.882 53.916 52.037 -0.005 0.000 0.640 1010 A CB -0.683 18.319 19.000 0.003 0.000 0.811 1010 A HN 0.413 nan 8.150 nan 0.000 0.451 1011 Q N 0.224 120.035 119.800 0.019 0.000 2.002 1011 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 1011 Q C 2.138 178.150 176.000 0.019 0.000 0.988 1011 Q CA 2.285 58.107 55.803 0.031 0.000 0.843 1011 Q CB -0.428 28.324 28.738 0.023 0.000 0.908 1011 Q HN 0.652 nan 8.270 nan 0.000 0.420 1012 R N 0.418 120.914 120.500 -0.006 0.000 2.103 1012 R HA -0.172 4.168 4.340 -0.000 0.000 0.242 1012 R C 2.006 178.288 176.300 -0.029 0.000 1.142 1012 R CA 1.553 57.637 56.100 -0.027 0.000 0.960 1012 R CB -0.532 29.742 30.300 -0.043 0.000 0.858 1012 R HN 0.520 nan 8.270 nan 0.000 0.439 1013 D N 0.786 121.174 120.400 -0.019 0.000 2.078 1013 D HA -0.145 4.495 4.640 -0.000 0.000 0.193 1013 D C 1.890 178.195 176.300 0.008 0.000 0.990 1013 D CA 1.540 55.531 54.000 -0.016 0.000 0.827 1013 D CB -0.342 40.453 40.800 -0.008 0.000 0.975 1013 D HN 0.234 nan 8.370 nan 0.000 0.451 1014 A N 0.705 123.547 122.820 0.036 0.000 2.093 1014 A HA -0.149 4.171 4.320 -0.000 0.000 0.222 1014 A C 2.368 180.013 177.584 0.101 0.000 1.162 1014 A CA 1.328 53.406 52.037 0.068 0.000 0.655 1014 A CB -0.358 18.694 19.000 0.087 0.000 0.805 1014 A HN 0.201 nan 8.150 nan 0.000 0.461 1015 V N -1.801 118.164 119.914 0.086 0.000 3.523 1015 V HA -0.083 4.037 4.120 -0.000 0.000 0.255 1015 V C 2.299 178.430 176.094 0.062 0.000 1.226 1015 V CA 1.331 63.709 62.300 0.130 0.000 1.092 1015 V CB -0.675 31.202 31.823 0.091 0.000 0.817 1015 V HN 0.542 nan 8.190 nan 0.000 0.458 1016 T N 1.682 116.214 114.554 -0.037 0.000 2.616 1016 T HA -0.364 3.986 4.350 -0.000 0.000 0.261 1016 T C 1.855 176.461 174.700 -0.157 0.000 1.105 1016 T CA 2.663 64.668 62.100 -0.157 0.000 1.159 1016 T CB -0.494 68.236 68.868 -0.229 0.000 0.856 1016 T HN 0.320 nan 8.240 nan 0.000 0.449 1017 L N 0.255 121.438 121.223 -0.067 0.000 2.056 1017 L HA 0.086 4.426 4.340 -0.000 0.000 0.207 1017 L C 2.047 178.938 176.870 0.035 0.000 1.078 1017 L CA 1.548 56.360 54.840 -0.047 0.000 0.749 1017 L CB -1.000 41.046 42.059 -0.022 0.000 0.901 1017 L HN 0.271 nan 8.230 nan 0.000 0.433 1018 F N -0.095 119.855 119.950 0.001 0.000 2.069 1018 F HA -0.270 4.256 4.527 -0.000 0.000 0.298 1018 F C 2.562 178.361 175.800 -0.001 0.000 1.113 1018 F CA 1.689 59.719 58.000 0.051 0.000 1.214 1018 F CB -1.154 37.941 39.000 0.157 0.000 0.978 1018 F HN 0.196 nan 8.300 nan 0.000 0.474 1019 C N 0.315 119.466 119.300 -0.248 0.000 2.376 1019 C HA -0.317 4.143 4.460 -0.000 0.000 0.275 1019 C C 3.102 177.899 174.990 -0.321 0.000 1.200 1019 C CA 1.276 60.076 59.018 -0.364 0.000 1.756 1019 C CB -1.807 25.805 27.740 -0.213 0.000 2.050 1019 C HN 0.748 nan 8.230 nan 0.000 0.460 1020 C N 0.047 119.206 119.300 -0.236 0.000 2.363 1020 C HA -0.210 4.250 4.460 -0.000 0.000 0.274 1020 C C 2.485 177.375 174.990 -0.168 0.000 1.183 1020 C CA 1.618 60.521 59.018 -0.192 0.000 1.771 1020 C CB -1.756 25.883 27.740 -0.168 0.000 2.059 1020 C HN 0.698 nan 8.230 nan 0.000 0.455 1021 L N 0.795 121.915 121.223 -0.171 0.000 1.956 1021 L HA -0.150 4.190 4.340 -0.000 0.000 0.216 1021 L C 2.366 179.114 176.870 -0.203 0.000 1.073 1021 L CA 1.998 56.761 54.840 -0.127 0.000 0.762 1021 L CB -1.208 40.804 42.059 -0.077 0.000 0.889 1021 L HN 0.297 nan 8.230 nan 0.000 0.433 1022 L N 0.015 120.961 121.223 -0.462 0.000 2.054 1022 L HA -0.305 4.035 4.340 -0.000 0.000 0.220 1022 L C 2.725 179.499 176.870 -0.159 0.000 1.081 1022 L CA 2.283 56.881 54.840 -0.403 0.000 0.780 1022 L CB -0.641 41.055 42.059 -0.606 0.000 0.893 1022 L HN 0.385 nan 8.230 nan 0.000 0.438 1023 R N -1.704 118.715 120.500 -0.135 0.000 2.153 1023 R HA -0.011 4.329 4.340 -0.000 0.000 0.218 1023 R C 2.407 178.726 176.300 0.031 0.000 1.072 1023 R CA 0.985 57.057 56.100 -0.046 0.000 0.990 1023 R CB -0.523 29.731 30.300 -0.077 0.000 0.889 1023 R HN 0.431 nan 8.270 nan 0.000 0.452 1024 S N 0.465 116.175 115.700 0.017 0.000 2.442 1024 S HA -0.052 4.418 4.470 -0.000 0.000 0.236 1024 S C 1.574 176.322 174.600 0.247 0.000 1.007 1024 S CA 0.945 59.223 58.200 0.131 0.000 0.965 1024 S CB 0.116 63.358 63.200 0.070 0.000 0.773 1024 S HN 0.188 nan 8.310 nan 0.000 0.504 1025 R N -0.128 120.468 120.500 0.159 0.000 2.344 1025 R HA 0.376 4.716 4.340 -0.000 0.000 0.209 1025 R C 0.280 176.736 176.300 0.260 0.000 0.886 1025 R CA 0.164 56.401 56.100 0.229 0.000 1.040 1025 R CB -0.018 30.395 30.300 0.189 0.000 1.114 1025 R HN 0.378 nan 8.270 nan 0.000 0.547 1026 L N 1.456 122.777 121.223 0.164 0.000 3.030 1026 L HA 0.465 4.804 4.340 -0.000 0.000 0.252 1026 L C -0.169 176.780 176.870 0.132 0.000 1.316 1026 L CA -0.546 54.408 54.840 0.190 0.000 0.975 1026 L CB 1.029 43.189 42.059 0.168 0.000 1.357 1026 L HN -0.103 nan 8.230 nan 0.000 0.534 1027 A N -0.493 122.368 122.820 0.068 0.000 2.310 1027 A HA 0.472 4.792 4.320 -0.000 0.000 0.299 1027 A C 1.332 178.891 177.584 -0.042 0.000 1.147 1027 A CA -0.224 51.841 52.037 0.046 0.000 0.818 1027 A CB 0.763 19.847 19.000 0.140 0.000 1.096 1027 A HN 0.390 nan 8.150 nan 0.000 0.495 1028 T N 1.674 116.211 114.554 -0.028 0.000 2.592 1028 T HA -0.220 4.129 4.350 -0.000 0.000 0.267 1028 T C 2.167 176.795 174.700 -0.119 0.000 1.060 1028 T CA 1.859 63.918 62.100 -0.068 0.000 1.167 1028 T CB -0.261 68.578 68.868 -0.048 0.000 0.863 1028 T HN 0.627 nan 8.240 nan 0.000 0.431 1029 R N 0.880 121.299 120.500 -0.136 0.000 2.103 1029 R HA -0.051 4.289 4.340 -0.000 0.000 0.234 1029 R C 2.663 178.798 176.300 -0.276 0.000 1.132 1029 R CA 1.705 57.689 56.100 -0.194 0.000 0.925 1029 R CB -0.648 29.514 30.300 -0.230 0.000 0.842 1029 R HN 0.418 nan 8.270 nan 0.000 0.430 1030 R N -0.310 119.953 120.500 -0.396 0.000 2.143 1030 R HA -0.191 4.149 4.340 -0.000 0.000 0.239 1030 R C 2.318 178.217 176.300 -0.667 0.000 1.126 1030 R CA 2.310 58.061 56.100 -0.582 0.000 0.927 1030 R CB -0.894 29.015 30.300 -0.651 0.000 0.860 1030 R HN 0.101 nan 8.270 nan 0.000 0.433 1031 V N 1.168 120.796 119.914 -0.477 0.000 2.313 1031 V HA -0.297 3.823 4.120 -0.000 0.000 0.253 1031 V C 2.249 178.291 176.094 -0.086 0.000 1.070 1031 V CA 2.010 64.192 62.300 -0.197 0.000 1.057 1031 V CB -0.469 31.376 31.823 0.037 0.000 0.653 1031 V HN 0.322 nan 8.190 nan 0.000 0.450 1032 L N -1.548 119.601 121.223 -0.123 0.000 2.253 1032 L HA -0.008 4.332 4.340 -0.000 0.000 0.205 1032 L C 2.481 179.315 176.870 -0.060 0.000 1.078 1032 L CA 1.137 55.937 54.840 -0.067 0.000 0.805 1032 L CB -0.228 41.784 42.059 -0.079 0.000 0.963 1032 L HN 0.280 nan 8.230 nan 0.000 0.459 1033 Q N -0.533 119.196 119.800 -0.117 0.000 2.339 1033 Q HA -0.062 4.278 4.340 -0.000 0.000 0.205 1033 Q C 1.593 177.534 176.000 -0.099 0.000 0.925 1033 Q CA 0.635 56.379 55.803 -0.100 0.000 0.898 1033 Q CB 0.586 29.248 28.738 -0.126 0.000 1.013 1033 Q HN 0.489 nan 8.270 nan 0.000 0.504 1034 E N -0.974 119.133 120.200 -0.155 0.000 2.083 1034 E HA -0.025 4.325 4.350 -0.000 0.000 0.193 1034 E C 1.549 178.228 176.600 0.133 0.000 0.950 1034 E CA 0.315 56.662 56.400 -0.088 0.000 0.849 1034 E CB -0.075 29.500 29.700 -0.208 0.000 0.827 1034 E HN 0.374 nan 8.360 nan 0.000 0.465 1035 Y N 0.338 120.656 120.300 0.031 0.000 2.421 1035 Y HA 0.041 4.591 4.550 -0.000 0.000 0.292 1035 Y C 0.720 176.713 175.900 0.156 0.000 1.136 1035 Y CA -0.325 57.834 58.100 0.098 0.000 1.255 1035 Y CB 0.252 38.776 38.460 0.107 0.000 0.991 1035 Y HN -0.087 nan 8.280 nan 0.000 0.552 1036 R N 0.366 121.021 120.500 0.258 0.000 3.758 1036 R HA -0.204 4.136 4.340 -0.000 0.000 0.299 1036 R C -0.353 176.061 176.300 0.190 0.000 1.182 1036 R CA 0.349 56.578 56.100 0.215 0.000 0.809 1036 R CB -2.199 28.310 30.300 0.347 0.000 1.249 1036 R HN 0.388 nan 8.270 nan 0.000 0.497 1037 L N 1.018 122.378 121.223 0.227 0.000 2.514 1037 L HA -0.023 4.316 4.340 -0.000 0.000 0.280 1037 L C 1.891 178.828 176.870 0.112 0.000 1.223 1037 L CA 1.148 56.113 54.840 0.208 0.000 0.864 1037 L CB 0.396 42.651 42.059 0.327 0.000 1.118 1037 L HN 0.284 nan 8.230 nan 0.000 0.494 1038 T N -0.250 114.336 114.554 0.054 0.000 2.891 1038 T HA 0.165 4.515 4.350 -0.000 0.000 0.294 1038 T C 0.865 175.566 174.700 0.001 0.000 1.065 1038 T CA -0.439 61.655 62.100 -0.011 0.000 0.936 1038 T CB 1.288 70.106 68.868 -0.084 0.000 1.415 1038 T HN 0.567 nan 8.240 nan 0.000 0.572 1039 K N -0.157 120.219 120.400 -0.040 0.000 2.044 1039 K HA 0.039 4.359 4.320 -0.000 0.000 0.204 1039 K C 2.489 179.091 176.600 0.003 0.000 1.049 1039 K CA 1.630 57.910 56.287 -0.012 0.000 0.945 1039 K CB -0.815 31.663 32.500 -0.036 0.000 0.724 1039 K HN 0.719 nan 8.250 nan 0.000 0.440 1040 Q N 0.027 119.749 119.800 -0.131 0.000 1.975 1040 Q HA -0.209 4.131 4.340 -0.000 0.000 0.205 1040 Q C 1.957 177.767 176.000 -0.316 0.000 0.990 1040 Q CA 2.268 57.915 55.803 -0.260 0.000 0.845 1040 Q CB -0.514 27.936 28.738 -0.480 0.000 0.913 1040 Q HN 0.401 nan 8.270 nan 0.000 0.420 1041 A N 0.626 123.134 122.820 -0.520 0.000 1.894 1041 A HA -0.295 4.025 4.320 -0.000 0.000 0.220 1041 A C 1.922 179.603 177.584 0.161 0.000 1.237 1041 A CA 2.050 53.929 52.037 -0.263 0.000 0.660 1041 A CB -1.476 17.489 19.000 -0.059 0.000 0.835 1041 A HN 0.668 nan 8.150 nan 0.000 0.461 1042 F N 1.125 121.097 119.950 0.036 0.000 2.069 1042 F HA -0.237 4.290 4.527 -0.000 0.000 0.298 1042 F C 2.068 177.936 175.800 0.113 0.000 1.113 1042 F CA 2.380 60.436 58.000 0.095 0.000 1.214 1042 F CB -0.293 38.739 39.000 0.054 0.000 0.978 1042 F HN 0.312 nan 8.300 nan 0.000 0.474 1043 D N -0.647 119.913 120.400 0.267 0.000 2.158 1043 D HA -0.278 4.362 4.640 -0.000 0.000 0.197 1043 D C 1.812 178.190 176.300 0.129 0.000 0.995 1043 D CA 1.690 55.791 54.000 0.168 0.000 0.846 1043 D CB -0.752 40.145 40.800 0.163 0.000 0.941 1043 D HN 0.508 nan 8.370 nan 0.000 0.456 1044 W N 1.739 123.034 121.300 -0.010 0.000 2.381 1044 W HA -0.201 4.459 4.660 -0.000 0.000 0.321 1044 W C 2.401 178.913 176.519 -0.011 0.000 1.196 1044 W CA 1.153 58.528 57.345 0.050 0.000 1.304 1044 W CB -0.691 28.897 29.460 0.213 0.000 1.166 1044 W HN -0.261 nan 8.180 nan 0.000 0.473 1045 V N 1.512 121.517 119.914 0.151 0.000 2.277 1045 V HA -0.411 3.709 4.120 -0.000 0.000 0.253 1045 V C 2.412 178.359 176.094 -0.246 0.000 1.067 1045 V CA 2.216 64.455 62.300 -0.101 0.000 1.047 1045 V CB -1.462 30.318 31.823 -0.072 0.000 0.649 1045 V HN 0.299 nan 8.190 nan 0.000 0.447 1046 L N -0.051 120.992 121.223 -0.300 0.000 1.989 1046 L HA -0.232 4.108 4.340 -0.000 0.000 0.211 1046 L C 2.801 179.564 176.870 -0.177 0.000 1.071 1046 L CA 2.194 56.871 54.840 -0.272 0.000 0.749 1046 L CB -0.813 41.064 42.059 -0.304 0.000 0.890 1046 L HN 0.495 nan 8.230 nan 0.000 0.431 1047 S N 0.072 115.675 115.700 -0.161 0.000 2.359 1047 S HA -0.248 4.222 4.470 -0.000 0.000 0.223 1047 S C 1.680 176.168 174.600 -0.187 0.000 1.039 1047 S CA 2.049 60.165 58.200 -0.141 0.000 1.042 1047 S CB -0.416 62.715 63.200 -0.114 0.000 0.915 1047 S HN 0.458 nan 8.310 nan 0.000 0.439 1048 N N 0.888 119.389 118.700 -0.332 0.000 2.025 1048 N HA -0.108 4.632 4.740 -0.000 0.000 0.194 1048 N C 1.919 177.334 175.510 -0.158 0.000 1.044 1048 N CA 1.830 54.688 53.050 -0.319 0.000 0.851 1048 N CB -0.464 37.697 38.487 -0.543 0.000 1.036 1048 N HN 0.414 nan 8.380 nan 0.000 0.422 1049 I N 1.393 121.886 120.570 -0.129 0.000 2.143 1049 I HA -0.359 3.811 4.170 -0.000 0.000 0.245 1049 I C 2.652 178.798 176.117 0.048 0.000 1.068 1049 I CA 1.512 62.816 61.300 0.007 0.000 1.326 1049 I CB -0.497 37.520 38.000 0.029 0.000 1.028 1049 I HN 0.348 nan 8.210 nan 0.000 0.412 1050 E N 1.376 121.568 120.200 -0.013 0.000 2.012 1050 E HA -0.252 4.098 4.350 -0.000 0.000 0.197 1050 E C 2.235 178.862 176.600 0.045 0.000 1.007 1050 E CA 1.788 58.188 56.400 -0.001 0.000 0.816 1050 E CB -0.218 29.460 29.700 -0.037 0.000 0.762 1050 E HN 0.415 nan 8.360 nan 0.000 0.451 1051 A N 0.466 123.284 122.820 -0.003 0.000 1.883 1051 A HA -0.272 4.048 4.320 -0.000 0.000 0.217 1051 A C 2.235 179.822 177.584 0.005 0.000 1.186 1051 A CA 1.924 53.960 52.037 -0.001 0.000 0.624 1051 A CB -0.818 18.163 19.000 -0.032 0.000 0.822 1051 A HN 0.466 nan 8.150 nan 0.000 0.444 1052 Q N -1.916 117.879 119.800 -0.007 0.000 2.096 1052 Q HA -0.203 4.137 4.340 -0.000 0.000 0.204 1052 Q C 1.851 177.839 176.000 -0.020 0.000 0.982 1052 Q CA 1.791 57.588 55.803 -0.011 0.000 0.850 1052 Q CB -0.287 28.443 28.738 -0.013 0.000 0.901 1052 Q HN 0.762 nan 8.270 nan 0.000 0.422 1053 F N 0.917 120.779 119.950 -0.145 0.000 2.010 1053 F HA -0.265 4.262 4.527 -0.000 0.000 0.296 1053 F C 1.892 177.582 175.800 -0.183 0.000 1.146 1053 F CA 1.511 59.379 58.000 -0.220 0.000 1.181 1053 F CB -0.408 38.462 39.000 -0.218 0.000 0.965 1053 F HN -0.023 nan 8.300 nan 0.000 0.480 1054 L N 0.198 121.538 121.223 0.196 0.000 2.171 1054 L HA -0.345 3.995 4.340 -0.000 0.000 0.216 1054 L C 2.651 179.430 176.870 -0.152 0.000 1.084 1054 L CA 1.610 56.476 54.840 0.043 0.000 0.771 1054 L CB -0.669 41.426 42.059 0.061 0.000 0.890 1054 L HN 0.223 nan 8.230 nan 0.000 0.437 1055 R N -0.924 119.470 120.500 -0.176 0.000 2.066 1055 R HA -0.092 4.248 4.340 -0.000 0.000 0.232 1055 R C 2.413 178.394 176.300 -0.531 0.000 1.131 1055 R CA 1.540 57.486 56.100 -0.255 0.000 0.955 1055 R CB -0.291 29.913 30.300 -0.161 0.000 0.851 1055 R HN 0.273 nan 8.270 nan 0.000 0.432 1056 S N 0.601 115.965 115.700 -0.558 0.000 2.442 1056 S HA -0.038 4.432 4.470 -0.000 0.000 0.236 1056 S C 0.952 175.276 174.600 -0.461 0.000 1.007 1056 S CA 0.375 58.212 58.200 -0.606 0.000 0.965 1056 S CB -0.122 62.816 63.200 -0.437 0.000 0.773 1056 S HN 0.015 nan 8.310 nan 0.000 0.504 1057 V N 2.077 121.722 119.914 -0.449 0.000 3.178 1057 V HA 0.031 4.151 4.120 -0.000 0.000 0.306 1057 V C 0.797 176.786 176.094 -0.176 0.000 1.107 1057 V CA -0.272 61.848 62.300 -0.300 0.000 1.195 1057 V CB 0.307 31.984 31.823 -0.243 0.000 0.993 1057 V HN 0.081 nan 8.190 nan 0.000 0.493 1058 V N 2.909 122.791 119.914 -0.053 0.000 2.775 1058 V HA 0.150 4.270 4.120 -0.000 0.000 0.299 1058 V C 0.331 176.417 176.094 -0.013 0.000 1.062 1058 V CA -0.363 61.964 62.300 0.044 0.000 1.063 1058 V CB 0.680 32.579 31.823 0.127 0.000 0.994 1058 V HN 0.797 nan 8.190 nan 0.000 0.483 1059 H N 4.183 123.213 119.070 -0.066 0.000 2.552 1059 H HA 0.258 4.814 4.556 -0.000 0.000 0.311 1059 H C -2.342 172.903 175.328 -0.138 0.000 1.071 1059 H CA -1.844 54.162 56.048 -0.070 0.000 1.307 1059 H CB 1.499 31.230 29.762 -0.052 0.000 1.416 1059 H HN 0.428 nan 8.280 nan 0.000 0.464 1060 P HA 0.040 nan 4.420 nan 0.000 0.266 1060 P C 0.830 177.899 177.300 -0.385 0.000 1.215 1060 P CA 0.801 63.698 63.100 -0.338 0.000 0.763 1060 P CB 0.848 32.178 31.700 -0.618 0.000 0.806 1061 G N 2.493 111.095 108.800 -0.331 0.000 3.514 1061 G HA2 -0.142 3.817 3.960 -0.000 0.000 0.197 1061 G HA3 -0.142 3.817 3.960 -0.000 0.000 0.197 1061 G C -0.079 174.690 174.900 -0.218 0.000 1.098 1061 G CA -0.505 44.436 45.100 -0.264 0.000 0.884 1061 G HN 0.457 nan 8.290 nan 0.000 0.433 1062 E N 2.068 122.158 120.200 -0.184 0.000 2.820 1062 E HA 0.046 4.396 4.350 -0.000 0.000 0.251 1062 E C 0.397 176.865 176.600 -0.220 0.000 0.944 1062 E CA 0.495 56.780 56.400 -0.191 0.000 0.955 1062 E CB 0.231 29.809 29.700 -0.203 0.000 0.904 1062 E HN 0.231 nan 8.360 nan 0.000 0.513 1063 M N 4.394 123.884 119.600 -0.183 0.000 3.596 1063 M HA 0.015 4.495 4.480 -0.000 0.000 0.219 1063 M C 1.066 177.269 176.300 -0.161 0.000 1.471 1063 M CA -0.105 55.096 55.300 -0.165 0.000 1.644 1063 M CB -0.521 31.996 32.600 -0.139 0.000 1.083 1063 M HN 0.227 nan 8.290 nan 0.000 0.579 1064 V N 0.694 120.481 119.914 -0.212 0.000 2.568 1064 V HA -0.216 3.904 4.120 -0.000 0.000 0.253 1064 V C 2.349 178.402 176.094 -0.068 0.000 1.072 1064 V CA 2.165 64.357 62.300 -0.180 0.000 1.084 1064 V CB -1.368 30.229 31.823 -0.377 0.000 0.676 1064 V HN 0.791 nan 8.190 nan 0.000 0.469 1065 G N 0.479 109.230 108.800 -0.083 0.000 2.639 1065 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.216 1065 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.216 1065 G C 1.647 176.485 174.900 -0.104 0.000 1.267 1065 G CA 1.382 46.435 45.100 -0.080 0.000 0.801 1065 G HN 0.353 nan 8.290 nan 0.000 0.592 1066 V N 1.013 120.856 119.914 -0.118 0.000 2.370 1066 V HA -0.179 3.941 4.120 -0.000 0.000 0.252 1066 V C 2.698 178.714 176.094 -0.130 0.000 1.068 1066 V CA 1.581 63.805 62.300 -0.127 0.000 1.061 1066 V CB -0.606 31.147 31.823 -0.117 0.000 0.656 1066 V HN 0.320 nan 8.190 nan 0.000 0.455 1067 L N 0.763 121.914 121.223 -0.119 0.000 1.932 1067 L HA -0.186 4.154 4.340 -0.000 0.000 0.217 1067 L C 2.655 179.395 176.870 -0.217 0.000 1.077 1067 L CA 2.796 57.551 54.840 -0.140 0.000 0.765 1067 L CB -1.772 40.242 42.059 -0.075 0.000 0.888 1067 L HN 0.318 nan 8.230 nan 0.000 0.433 1068 A N -0.187 122.558 122.820 -0.126 0.000 1.923 1068 A HA -0.365 3.955 4.320 -0.000 0.000 0.222 1068 A C 2.442 179.907 177.584 -0.199 0.000 1.258 1068 A CA 3.507 55.477 52.037 -0.112 0.000 0.670 1068 A CB -1.423 17.623 19.000 0.077 0.000 0.834 1068 A HN 0.732 nan 8.150 nan 0.000 0.470 1069 A N -1.165 121.556 122.820 -0.166 0.000 1.851 1069 A HA -0.268 4.052 4.320 -0.000 0.000 0.216 1069 A C 2.118 179.591 177.584 -0.185 0.000 1.195 1069 A CA 1.944 53.875 52.037 -0.177 0.000 0.622 1069 A CB -0.836 18.052 19.000 -0.186 0.000 0.831 1069 A HN 0.712 nan 8.150 nan 0.000 0.444 1070 Q N -0.210 119.483 119.800 -0.178 0.000 2.135 1070 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 1070 Q C 2.379 178.271 176.000 -0.180 0.000 0.981 1070 Q CA 1.690 57.398 55.803 -0.158 0.000 0.856 1070 Q CB -0.333 28.337 28.738 -0.113 0.000 0.902 1070 Q HN 0.638 nan 8.270 nan 0.000 0.425 1071 S N 0.621 116.158 115.700 -0.270 0.000 2.400 1071 S HA -0.111 4.359 4.470 -0.000 0.000 0.232 1071 S C 1.879 176.344 174.600 -0.225 0.000 1.025 1071 S CA 0.986 58.989 58.200 -0.330 0.000 0.993 1071 S CB -0.091 62.635 63.200 -0.790 0.000 0.808 1071 S HN 0.304 nan 8.310 nan 0.000 0.478 1072 I N 0.559 121.009 120.570 -0.200 0.000 2.429 1072 I HA 0.044 4.214 4.170 -0.000 0.000 0.247 1072 I C 2.683 178.714 176.117 -0.143 0.000 1.099 1072 I CA 0.868 62.073 61.300 -0.159 0.000 1.422 1072 I CB -0.763 37.147 38.000 -0.150 0.000 1.112 1072 I HN 0.339 nan 8.210 nan 0.000 0.430 1073 G N 0.322 109.034 108.800 -0.146 0.000 2.471 1073 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.219 1073 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.219 1073 G C 1.543 176.362 174.900 -0.135 0.000 1.125 1073 G CA 0.310 45.331 45.100 -0.132 0.000 0.775 1073 G HN 0.241 nan 8.290 nan 0.000 0.548 1074 E N 1.182 121.289 120.200 -0.155 0.000 2.017 1074 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 1074 E C 0.002 176.515 176.600 -0.146 0.000 0.997 1074 E CA 1.308 57.593 56.400 -0.191 0.000 0.804 1074 E CB -0.740 28.835 29.700 -0.208 0.000 0.757 1074 E HN 0.371 nan 8.360 nan 0.000 0.448 1075 P HA 0.007 nan 4.420 nan 0.000 0.237 1075 P C 0.627 177.878 177.300 -0.082 0.000 1.178 1075 P CA 0.997 64.043 63.100 -0.090 0.000 0.766 1075 P CB 0.081 31.728 31.700 -0.089 0.000 0.876 1076 A N -0.203 122.564 122.820 -0.089 0.000 2.123 1076 A HA 0.021 4.341 4.320 -0.000 0.000 0.214 1076 A C 2.007 179.554 177.584 -0.062 0.000 1.152 1076 A CA 1.207 53.201 52.037 -0.072 0.000 0.728 1076 A CB -1.230 17.724 19.000 -0.076 0.000 0.814 1076 A HN 0.151 nan 8.150 nan 0.000 0.464 1077 T N 0.224 114.734 114.554 -0.074 0.000 3.014 1077 T HA -0.039 4.311 4.350 -0.000 0.000 0.263 1077 T C 1.380 176.046 174.700 -0.056 0.000 1.078 1077 T CA 0.918 62.978 62.100 -0.067 0.000 1.135 1077 T CB -0.033 68.781 68.868 -0.089 0.000 0.895 1077 T HN 0.508 nan 8.240 nan 0.000 0.480 1078 Q N 0.625 120.390 119.800 -0.058 0.000 2.280 1078 Q HA 0.290 4.630 4.340 -0.000 0.000 0.202 1078 Q C 0.180 176.159 176.000 -0.034 0.000 0.903 1078 Q CA 0.039 55.816 55.803 -0.044 0.000 0.948 1078 Q CB -0.261 28.451 28.738 -0.044 0.000 1.058 1078 Q HN 0.538 nan 8.270 nan 0.000 0.493 1079 M N 1.765 121.344 119.600 -0.034 0.000 2.725 1079 M HA 0.110 4.590 4.480 -0.000 0.000 0.322 1079 M C -0.279 176.010 176.300 -0.018 0.000 1.393 1079 M CA 0.215 55.500 55.300 -0.025 0.000 1.452 1079 M CB 0.073 32.657 32.600 -0.027 0.000 1.242 1079 M HN -0.204 nan 8.290 nan 0.000 0.487 1080 T N 4.606 119.152 114.554 -0.014 0.000 3.455 1080 T HA 0.374 4.724 4.350 -0.000 0.000 0.286 1080 T C 0.420 175.117 174.700 -0.005 0.000 1.157 1080 T CA -0.046 62.047 62.100 -0.011 0.000 1.090 1080 T CB -0.474 68.388 68.868 -0.008 0.000 1.112 1080 T HN 0.426 nan 8.240 nan 0.000 0.779 1094 V N 1.418 121.353 119.914 0.036 0.000 2.540 1094 V HA 0.309 4.429 4.120 -0.000 0.000 0.302 1094 V C 0.441 176.556 176.094 0.036 0.000 1.035 1094 V CA -0.921 61.401 62.300 0.038 0.000 0.873 1094 V CB 1.895 33.747 31.823 0.049 0.000 0.992 1094 V HN 0.744 nan 8.190 nan 0.000 0.428 1095 T N 1.570 116.144 114.554 0.033 0.000 2.656 1095 T HA 0.120 4.469 4.350 -0.000 0.000 0.263 1095 T C 0.255 174.976 174.700 0.035 0.000 1.017 1095 T CA 0.526 62.645 62.100 0.031 0.000 1.216 1095 T CB -0.132 68.755 68.868 0.033 0.000 0.989 1095 T HN 1.004 nan 8.240 nan 0.000 0.507 1096 S N 2.623 118.341 115.700 0.029 0.000 2.634 1096 S HA 0.872 5.342 4.470 -0.000 0.000 0.296 1096 S C 0.550 175.161 174.600 0.019 0.000 1.104 1096 S CA 0.107 58.324 58.200 0.028 0.000 0.920 1096 S CB 1.637 64.855 63.200 0.030 0.000 1.111 1096 S HN 2.253 nan 8.310 nan 0.000 0.493 1097 G N 0.996 109.804 108.800 0.013 0.000 2.693 1097 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.226 1097 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.226 1097 G C 0.574 175.474 174.900 0.001 0.000 1.354 1097 G CA -0.155 44.946 45.100 0.003 0.000 0.873 1097 G HN 1.622 nan 8.290 nan 0.000 0.562 1098 V N 2.384 122.295 119.914 -0.005 0.000 2.233 1098 V HA -0.280 3.840 4.120 -0.000 0.000 0.256 1098 V C 1.071 177.169 176.094 0.008 0.000 1.069 1098 V CA 3.696 65.993 62.300 -0.004 0.000 1.054 1098 V CB -1.778 30.043 31.823 -0.003 0.000 0.664 1098 V HN 0.870 nan 8.190 nan 0.000 0.453 1099 P HA -0.242 nan 4.420 nan 0.000 0.217 1099 P C 1.550 178.868 177.300 0.029 0.000 1.151 1099 P CA 2.185 65.299 63.100 0.023 0.000 0.849 1099 P CB -0.122 31.590 31.700 0.020 0.000 0.787 1100 R N 0.214 120.729 120.500 0.027 0.000 2.073 1100 R HA -0.035 4.305 4.340 -0.000 0.000 0.229 1100 R C 2.356 178.675 176.300 0.031 0.000 1.120 1100 R CA 0.908 57.030 56.100 0.036 0.000 0.967 1100 R CB -1.880 28.441 30.300 0.035 0.000 0.862 1100 R HN 0.098 nan 8.270 nan 0.000 0.436 1101 L N 1.052 122.281 121.223 0.010 0.000 2.042 1101 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 1101 L C 2.144 179.017 176.870 0.006 0.000 1.076 1101 L CA 1.964 56.799 54.840 -0.009 0.000 0.749 1101 L CB -0.553 41.488 42.059 -0.029 0.000 0.893 1101 L HN 0.225 nan 8.230 nan 0.000 0.432 1102 K N -0.484 119.928 120.400 0.020 0.000 2.009 1102 K HA -0.279 4.041 4.320 -0.000 0.000 0.210 1102 K C 2.140 178.776 176.600 0.061 0.000 1.049 1102 K CA 2.062 58.372 56.287 0.037 0.000 0.929 1102 K CB -0.227 32.301 32.500 0.047 0.000 0.714 1102 K HN 0.451 nan 8.250 nan 0.000 0.440 1103 E N 0.427 120.668 120.200 0.069 0.000 2.065 1103 E HA -0.247 4.103 4.350 -0.000 0.000 0.201 1103 E C 1.964 178.651 176.600 0.144 0.000 1.016 1103 E CA 1.958 58.417 56.400 0.097 0.000 0.818 1103 E CB -0.092 29.665 29.700 0.094 0.000 0.749 1103 E HN 0.299 nan 8.360 nan 0.000 0.453 1104 I N 0.403 121.047 120.570 0.124 0.000 2.060 1104 I HA -0.311 3.859 4.170 -0.000 0.000 0.233 1104 I C 2.426 178.621 176.117 0.130 0.000 1.054 1104 I CA 1.009 62.391 61.300 0.137 0.000 1.318 1104 I CB -0.503 37.479 38.000 -0.030 0.000 1.054 1104 I HN 0.156 nan 8.210 nan 0.000 0.395 1105 L N 0.954 122.205 121.223 0.047 0.000 2.283 1105 L HA -0.275 4.065 4.340 -0.000 0.000 0.217 1105 L C 2.036 178.963 176.870 0.095 0.000 1.104 1105 L CA 1.175 56.040 54.840 0.041 0.000 0.772 1105 L CB -0.861 41.190 42.059 -0.014 0.000 0.899 1105 L HN 0.419 nan 8.230 nan 0.000 0.439 1106 N N -0.702 118.068 118.700 0.117 0.000 2.415 1106 N HA -0.010 4.730 4.740 -0.000 0.000 0.176 1106 N C 0.936 176.543 175.510 0.162 0.000 1.042 1106 N CA 0.474 53.607 53.050 0.139 0.000 0.902 1106 N CB 0.664 39.226 38.487 0.125 0.000 0.986 1106 N HN 0.013 nan 8.380 nan 0.000 0.447 1107 V N 0.768 120.806 119.914 0.207 0.000 5.117 1107 V HA -0.287 3.833 4.120 -0.000 0.000 0.285 1107 V C 0.598 176.742 176.094 0.084 0.000 0.490 1107 V CA 0.541 62.961 62.300 0.200 0.000 0.728 1107 V CB -2.378 29.550 31.823 0.176 0.000 0.597 1107 V HN 0.426 nan 8.190 nan 0.000 1.265 1108 A N 0.049 122.924 122.820 0.091 0.000 2.466 1108 A HA 0.497 4.817 4.320 -0.000 0.000 0.238 1108 A C 1.084 178.659 177.584 -0.015 0.000 1.074 1108 A CA 0.940 53.004 52.037 0.045 0.000 0.774 1108 A CB 0.534 19.570 19.000 0.060 0.000 1.015 1108 A HN 0.505 nan 8.150 nan 0.000 0.498 1109 K N 0.987 121.371 120.400 -0.027 0.000 2.063 1109 K HA 0.023 4.343 4.320 -0.000 0.000 0.204 1109 K C 0.394 176.967 176.600 -0.045 0.000 1.039 1109 K CA 1.314 57.566 56.287 -0.058 0.000 0.957 1109 K CB -0.167 32.301 32.500 -0.052 0.000 0.764 1109 K HN 0.747 nan 8.250 nan 0.000 0.447 1110 N N 2.930 121.616 118.700 -0.024 0.000 2.819 1110 N HA 0.050 4.790 4.740 -0.000 0.000 0.284 1110 N C -0.270 175.238 175.510 -0.003 0.000 1.196 1110 N CA 0.007 53.046 53.050 -0.017 0.000 1.114 1110 N CB -0.099 38.381 38.487 -0.012 0.000 1.437 1110 N HN 0.390 nan 8.380 nan 0.000 0.518 1111 M N -0.865 118.733 119.600 -0.004 0.000 2.243 1111 M HA 0.203 4.683 4.480 -0.000 0.000 0.341 1111 M C 0.804 177.112 176.300 0.013 0.000 1.130 1111 M CA -0.079 55.231 55.300 0.017 0.000 1.162 1111 M CB 1.271 33.890 32.600 0.031 0.000 1.497 1111 M HN 0.013 nan 8.290 nan 0.000 0.456 1112 K N 1.290 121.703 120.400 0.021 0.000 2.011 1112 K HA 0.027 4.347 4.320 -0.000 0.000 0.215 1112 K C 0.196 176.804 176.600 0.013 0.000 0.978 1112 K CA 1.156 57.452 56.287 0.015 0.000 1.028 1112 K CB -0.502 32.010 32.500 0.019 0.000 0.968 1112 K HN 0.788 nan 8.250 nan 0.000 0.511 1113 T N 3.777 118.342 114.554 0.018 0.000 2.849 1113 T HA 0.006 4.356 4.350 -0.000 0.000 0.289 1113 T C -2.204 172.504 174.700 0.013 0.000 1.010 1113 T CA -0.219 61.890 62.100 0.016 0.000 1.161 1113 T CB 0.374 69.256 68.868 0.024 0.000 0.989 1113 T HN 0.317 nan 8.240 nan 0.000 0.523 1114 P HA 0.308 nan 4.420 nan 0.000 0.256 1114 P C -0.156 177.131 177.300 -0.022 0.000 1.626 1114 P CA -0.444 62.650 63.100 -0.010 0.000 1.193 1114 P CB 0.786 32.475 31.700 -0.018 0.000 2.099 1115 S N 2.044 117.735 115.700 -0.015 0.000 2.650 1115 S HA 0.508 4.978 4.470 -0.000 0.000 0.251 1115 S C -0.031 174.538 174.600 -0.053 0.000 1.325 1115 S CA 0.254 58.443 58.200 -0.019 0.000 0.967 1115 S CB -0.034 63.170 63.200 0.007 0.000 1.000 1115 S HN 0.408 nan 8.310 nan 0.000 0.584 1116 L N 0.684 121.879 121.223 -0.047 0.000 2.905 1116 L HA 0.421 4.761 4.340 -0.000 0.000 0.260 1116 L C -1.077 175.767 176.870 -0.043 0.000 0.933 1116 L CA -0.126 54.671 54.840 -0.071 0.000 1.034 1116 L CB 1.035 43.058 42.059 -0.060 0.000 1.550 1116 L HN 0.501 nan 8.230 nan 0.000 0.480 1117 T N 4.607 119.141 114.554 -0.033 0.000 2.738 1117 T HA 0.629 4.979 4.350 -0.000 0.000 0.298 1117 T C 0.000 174.582 174.700 -0.196 0.000 0.962 1117 T CA -0.077 61.969 62.100 -0.090 0.000 0.972 1117 T CB 0.905 69.758 68.868 -0.024 0.000 0.928 1117 T HN 0.811 nan 8.240 nan 0.000 0.474 1118 V N 2.461 122.251 119.914 -0.206 0.000 2.427 1118 V HA 0.623 4.743 4.120 -0.000 0.000 0.286 1118 V C -0.996 174.953 176.094 -0.240 0.000 1.034 1118 V CA -1.082 61.129 62.300 -0.148 0.000 0.893 1118 V CB 0.195 31.997 31.823 -0.035 0.000 0.982 1118 V HN 0.718 nan 8.190 nan 0.000 0.452 1119 Y N 4.525 124.881 120.300 0.093 0.000 2.334 1119 Y HA 0.629 5.179 4.550 -0.000 0.000 0.328 1119 Y C 0.737 176.680 175.900 0.071 0.000 1.130 1119 Y CA -1.009 57.143 58.100 0.087 0.000 1.163 1119 Y CB 1.553 40.068 38.460 0.091 0.000 1.207 1119 Y HN 0.826 nan 8.280 nan 0.000 0.471 1120 L N -0.411 120.946 121.223 0.223 0.000 2.240 1120 L HA 0.194 4.534 4.340 -0.000 0.000 0.166 1120 L C 0.185 177.120 176.870 0.109 0.000 0.893 1120 L CA -0.298 54.637 54.840 0.158 0.000 1.058 1120 L CB -0.149 42.014 42.059 0.172 0.000 1.371 1120 L HN 0.570 nan 8.230 nan 0.000 0.480 1121 E N -1.226 118.990 120.200 0.027 0.000 2.212 1121 E HA 0.290 4.640 4.350 -0.000 0.000 0.270 1121 E C -1.982 174.451 176.600 -0.279 0.000 0.956 1121 E CA -1.993 54.342 56.400 -0.109 0.000 0.825 1121 E CB 1.552 31.202 29.700 -0.083 0.000 1.167 1121 E HN 0.336 nan 8.360 nan 0.000 0.400 1122 P HA -0.323 nan 4.420 nan 0.000 0.214 1122 P C 0.869 178.038 177.300 -0.217 0.000 0.989 1122 P CA 2.257 65.260 63.100 -0.162 0.000 1.008 1122 P CB -0.120 31.512 31.700 -0.113 0.000 0.747 1123 G N 0.224 108.838 108.800 -0.310 0.000 2.910 1123 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.206 1123 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.206 1123 G C -0.045 174.769 174.900 -0.144 0.000 1.406 1123 G CA 0.862 45.855 45.100 -0.179 0.000 0.816 1123 G HN 0.480 nan 8.290 nan 0.000 0.669 1124 H N 1.176 120.279 119.070 0.056 0.000 3.343 1124 H HA 0.224 4.780 4.556 -0.000 0.000 0.207 1124 H C 0.975 176.368 175.328 0.108 0.000 0.784 1124 H CA 0.331 56.423 56.048 0.073 0.000 1.351 1124 H CB -0.798 28.999 29.762 0.058 0.000 1.527 1124 H HN 0.369 nan 8.280 nan 0.000 0.512 1125 A N 2.826 125.742 122.820 0.159 0.000 1.999 1125 A HA 0.438 4.758 4.320 -0.000 0.000 0.200 1125 A C 2.071 179.819 177.584 0.274 0.000 1.363 1125 A CA 0.412 52.547 52.037 0.162 0.000 0.844 1125 A CB -0.022 19.026 19.000 0.080 0.000 0.954 1125 A HN 0.618 nan 8.150 nan 0.000 0.481 1126 A N -0.329 122.648 122.820 0.262 0.000 2.275 1126 A HA 0.188 4.508 4.320 -0.000 0.000 0.212 1126 A C 0.614 178.470 177.584 0.454 0.000 1.201 1126 A CA 0.315 52.577 52.037 0.375 0.000 0.843 1126 A CB -0.326 18.799 19.000 0.208 0.000 0.873 1126 A HN 0.281 nan 8.150 nan 0.000 0.492 1127 D N 0.901 121.488 120.400 0.312 0.000 2.606 1127 D HA -0.032 4.608 4.640 -0.000 0.000 0.234 1127 D C 1.421 177.689 176.300 -0.052 0.000 1.140 1127 D CA 0.182 54.268 54.000 0.143 0.000 1.182 1127 D CB 0.134 41.025 40.800 0.152 0.000 1.130 1127 D HN 0.440 nan 8.370 nan 0.000 0.485 1128 Q N 1.763 121.451 119.800 -0.187 0.000 2.165 1128 Q HA -0.272 4.068 4.340 -0.000 0.000 0.215 1128 Q C 1.394 177.112 176.000 -0.470 0.000 1.010 1128 Q CA 1.837 57.253 55.803 -0.645 0.000 0.896 1128 Q CB 0.062 28.585 28.738 -0.359 0.000 0.956 1128 Q HN 0.392 nan 8.270 nan 0.000 0.413 1129 E N -0.399 119.658 120.200 -0.238 0.000 2.028 1129 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 1129 E C 1.942 178.458 176.600 -0.141 0.000 0.988 1129 E CA 1.318 57.614 56.400 -0.175 0.000 0.799 1129 E CB -0.376 29.257 29.700 -0.112 0.000 0.755 1129 E HN 0.500 nan 8.360 nan 0.000 0.447 1130 Q N 1.024 120.770 119.800 -0.090 0.000 2.197 1130 Q HA -0.217 4.123 4.340 -0.000 0.000 0.211 1130 Q C 1.805 177.779 176.000 -0.043 0.000 0.993 1130 Q CA 2.159 57.937 55.803 -0.041 0.000 0.883 1130 Q CB -0.474 28.291 28.738 0.046 0.000 0.916 1130 Q HN 0.253 nan 8.270 nan 0.000 0.418 1131 A N 0.579 123.341 122.820 -0.096 0.000 1.829 1131 A HA -0.291 4.029 4.320 -0.000 0.000 0.216 1131 A C 1.937 179.451 177.584 -0.117 0.000 1.207 1131 A CA 2.112 54.086 52.037 -0.105 0.000 0.622 1131 A CB -0.763 18.088 19.000 -0.248 0.000 0.846 1131 A HN 0.483 nan 8.150 nan 0.000 0.447 1132 K N -0.388 119.905 120.400 -0.180 0.000 2.071 1132 K HA -0.258 4.062 4.320 -0.000 0.000 0.217 1132 K C 1.901 178.440 176.600 -0.102 0.000 1.054 1132 K CA 1.999 58.192 56.287 -0.158 0.000 0.937 1132 K CB -0.791 31.604 32.500 -0.174 0.000 0.719 1132 K HN 0.501 nan 8.250 nan 0.000 0.454 1133 L N 0.716 121.887 121.223 -0.086 0.000 1.978 1133 L HA -0.258 4.082 4.340 -0.000 0.000 0.218 1133 L C 2.477 179.324 176.870 -0.037 0.000 1.075 1133 L CA 1.580 56.385 54.840 -0.058 0.000 0.767 1133 L CB -0.681 41.346 42.059 -0.054 0.000 0.890 1133 L HN 0.222 nan 8.230 nan 0.000 0.434 1134 I N -0.639 119.917 120.570 -0.023 0.000 2.286 1134 I HA -0.274 3.896 4.170 -0.000 0.000 0.248 1134 I C 2.839 178.952 176.117 -0.007 0.000 1.115 1134 I CA 1.199 62.498 61.300 -0.002 0.000 1.392 1134 I CB -0.633 37.378 38.000 0.020 0.000 1.065 1134 I HN 0.328 nan 8.210 nan 0.000 0.418 1135 R N 1.727 122.214 120.500 -0.022 0.000 2.094 1135 R HA -0.186 4.154 4.340 -0.000 0.000 0.239 1135 R C 1.873 178.169 176.300 -0.006 0.000 1.137 1135 R CA 2.334 58.425 56.100 -0.016 0.000 0.943 1135 R CB -0.649 29.624 30.300 -0.045 0.000 0.850 1135 R HN 0.219 nan 8.270 nan 0.000 0.433 1136 S N -0.083 115.603 115.700 -0.024 0.000 2.660 1136 S HA 0.133 4.603 4.470 -0.000 0.000 0.228 1136 S C 1.072 175.663 174.600 -0.014 0.000 0.966 1136 S CA 0.500 58.687 58.200 -0.021 0.000 0.940 1136 S CB 0.582 63.759 63.200 -0.039 0.000 0.773 1136 S HN 0.581 nan 8.310 nan 0.000 0.535 1137 A N 0.542 123.359 122.820 -0.005 0.000 2.419 1137 A HA 0.431 4.751 4.320 -0.000 0.000 0.233 1137 A C 1.524 179.115 177.584 0.012 0.000 1.217 1137 A CA -0.191 51.846 52.037 -0.000 0.000 0.944 1137 A CB -0.020 18.980 19.000 0.001 0.000 1.025 1137 A HN 0.568 nan 8.150 nan 0.000 0.524 1138 I N -3.791 116.790 120.570 0.019 0.000 3.673 1138 I HA 0.269 4.439 4.170 -0.000 0.000 0.281 1138 I C 0.901 177.048 176.117 0.050 0.000 1.182 1138 I CA 0.033 61.352 61.300 0.031 0.000 1.391 1138 I CB -0.414 37.600 38.000 0.024 0.000 1.383 1138 I HN 0.113 nan 8.210 nan 0.000 0.456 1139 E N 3.594 123.822 120.200 0.047 0.000 2.175 1139 E HA -0.166 4.184 4.350 -0.000 0.000 0.247 1139 E C -0.132 176.516 176.600 0.079 0.000 1.259 1139 E CA 0.033 56.473 56.400 0.067 0.000 0.969 1139 E CB -0.387 29.354 29.700 0.068 0.000 1.051 1139 E HN 0.387 nan 8.360 nan 0.000 0.448 1140 H N 3.151 122.219 119.070 -0.003 0.000 3.195 1140 H HA -0.062 4.494 4.556 -0.000 0.000 0.302 1140 H C -0.955 174.367 175.328 -0.010 0.000 0.950 1140 H CA 1.141 57.184 56.048 -0.009 0.000 1.398 1140 H CB 0.436 30.190 29.762 -0.012 0.000 1.377 1140 H HN 0.305 nan 8.280 nan 0.000 0.572 1141 T N 4.981 119.287 114.554 -0.414 0.000 2.921 1141 T HA 0.378 4.728 4.350 -0.000 0.000 0.297 1141 T C -0.584 173.881 174.700 -0.392 0.000 1.013 1141 T CA -0.656 61.268 62.100 -0.293 0.000 0.990 1141 T CB 1.311 70.092 68.868 -0.145 0.000 1.023 1141 T HN 0.702 nan 8.240 nan 0.000 0.447 1142 T N 0.600 115.004 114.554 -0.249 0.000 2.918 1142 T HA 0.487 4.837 4.350 -0.000 0.000 0.286 1142 T C 1.201 175.843 174.700 -0.097 0.000 1.026 1142 T CA -0.932 61.065 62.100 -0.172 0.000 1.031 1142 T CB 1.353 70.170 68.868 -0.085 0.000 1.046 1142 T HN 0.273 nan 8.240 nan 0.000 0.479 1143 L N 1.350 122.528 121.223 -0.076 0.000 2.089 1143 L HA -0.069 4.271 4.340 -0.000 0.000 0.213 1143 L C 2.438 179.287 176.870 -0.035 0.000 1.079 1143 L CA 1.964 56.772 54.840 -0.053 0.000 0.758 1143 L CB -0.895 41.145 42.059 -0.032 0.000 0.891 1143 L HN 0.918 nan 8.230 nan 0.000 0.433 1144 K N -0.853 119.533 120.400 -0.023 0.000 2.281 1144 K HA -0.156 4.164 4.320 -0.000 0.000 0.203 1144 K C 1.915 178.507 176.600 -0.013 0.000 1.046 1144 K CA 1.402 57.683 56.287 -0.010 0.000 0.938 1144 K CB -0.101 32.400 32.500 0.001 0.000 0.737 1144 K HN 0.675 nan 8.250 nan 0.000 0.458 1145 S N -0.492 115.193 115.700 -0.025 0.000 2.470 1145 S HA -0.053 4.417 4.470 -0.000 0.000 0.225 1145 S C 1.783 176.370 174.600 -0.022 0.000 1.006 1145 S CA 0.690 58.876 58.200 -0.022 0.000 0.934 1145 S CB 0.138 63.320 63.200 -0.030 0.000 0.778 1145 S HN 0.220 nan 8.310 nan 0.000 0.517 1146 V N -1.204 118.692 119.914 -0.029 0.000 3.431 1146 V HA 0.213 4.333 4.120 -0.000 0.000 0.253 1146 V C 0.700 176.782 176.094 -0.020 0.000 1.184 1146 V CA 0.100 62.384 62.300 -0.027 0.000 1.104 1146 V CB -1.293 30.506 31.823 -0.041 0.000 0.799 1146 V HN 0.293 nan 8.190 nan 0.000 0.462 1147 T N 2.108 116.651 114.554 -0.017 0.000 2.888 1147 T HA 0.419 4.769 4.350 -0.000 0.000 0.301 1147 T C 1.176 175.875 174.700 -0.002 0.000 1.001 1147 T CA 0.362 62.456 62.100 -0.009 0.000 1.147 1147 T CB 1.380 70.245 68.868 -0.005 0.000 0.931 1147 T HN 0.268 nan 8.240 nan 0.000 0.541 1148 I N 1.400 121.971 120.570 0.003 0.000 2.703 1148 I HA 0.310 4.480 4.170 -0.000 0.000 0.259 1148 I C 1.236 177.360 176.117 0.012 0.000 1.151 1148 I CA 0.296 61.600 61.300 0.007 0.000 1.470 1148 I CB -0.016 37.989 38.000 0.009 0.000 1.112 1148 I HN 0.726 nan 8.210 nan 0.000 0.437 1149 A N -0.027 122.803 122.820 0.017 0.000 2.522 1149 A HA 0.569 4.889 4.320 -0.000 0.000 0.294 1149 A C -0.922 176.682 177.584 0.032 0.000 1.001 1149 A CA -0.450 51.601 52.037 0.023 0.000 0.642 1149 A CB 0.533 19.549 19.000 0.027 0.000 1.326 1149 A HN 0.064 nan 8.150 nan 0.000 0.435 1150 S N -0.093 115.629 115.700 0.036 0.000 2.599 1150 S HA 0.925 5.395 4.470 -0.000 0.000 0.294 1150 S C -0.783 173.860 174.600 0.071 0.000 1.094 1150 S CA -0.636 57.593 58.200 0.050 0.000 0.931 1150 S CB 2.018 65.238 63.200 0.033 0.000 1.093 1150 S HN 0.768 nan 8.310 nan 0.000 0.488 1151 E N 0.248 120.522 120.200 0.123 0.000 2.366 1151 E HA 0.479 4.829 4.350 -0.000 0.000 0.278 1151 E C -1.465 175.270 176.600 0.225 0.000 0.923 1151 E CA -0.584 55.914 56.400 0.162 0.000 0.761 1151 E CB 2.281 32.162 29.700 0.303 0.000 1.231 1151 E HN 0.592 nan 8.360 nan 0.000 0.443 1152 I N 3.269 123.927 120.570 0.148 0.000 2.390 1152 I HA 0.311 4.481 4.170 -0.000 0.000 0.283 1152 I C -1.071 175.214 176.117 0.280 0.000 1.016 1152 I CA -0.553 60.863 61.300 0.193 0.000 1.151 1152 I CB 0.297 38.320 38.000 0.038 0.000 1.293 1152 I HN 0.398 nan 8.210 nan 0.000 0.458 1153 Y N 4.705 125.111 120.300 0.177 0.000 2.519 1153 Y HA 0.285 4.835 4.550 -0.000 0.000 0.324 1153 Y C -0.321 175.775 175.900 0.326 0.000 1.214 1153 Y CA -0.776 57.453 58.100 0.214 0.000 1.260 1153 Y CB 0.905 39.433 38.460 0.112 0.000 1.311 1153 Y HN 0.363 nan 8.280 nan 0.000 0.505 1154 Y N 1.947 122.436 120.300 0.316 0.000 2.593 1154 Y HA 0.317 4.867 4.550 -0.000 0.000 0.331 1154 Y C -0.909 174.972 175.900 -0.032 0.000 0.986 1154 Y CA -0.582 57.502 58.100 -0.027 0.000 1.262 1154 Y CB 0.343 38.675 38.460 -0.213 0.000 1.098 1154 Y HN 0.519 nan 8.280 nan 0.000 0.506 1155 D N 8.763 128.921 120.400 -0.404 0.000 2.446 1155 D HA 0.212 4.852 4.640 -0.000 0.000 0.251 1155 D C -2.030 174.000 176.300 -0.451 0.000 1.137 1155 D CA -1.875 51.971 54.000 -0.256 0.000 0.890 1155 D CB 2.071 42.806 40.800 -0.108 0.000 1.071 1155 D HN 0.328 nan 8.370 nan 0.000 0.528 1156 P HA -0.077 nan 4.420 nan 0.000 0.219 1156 P C 0.253 177.451 177.300 -0.170 0.000 1.150 1156 P CA 0.549 63.420 63.100 -0.383 0.000 0.814 1156 P CB 0.570 32.196 31.700 -0.123 0.000 0.787 1157 D N 1.394 121.737 120.400 -0.095 0.000 2.396 1157 D HA 0.126 4.766 4.640 -0.000 0.000 0.225 1157 D C -1.574 174.719 176.300 -0.012 0.000 1.121 1157 D CA -2.794 51.183 54.000 -0.039 0.000 0.853 1157 D CB 0.620 41.416 40.800 -0.007 0.000 1.043 1157 D HN 0.034 nan 8.370 nan 0.000 0.500 1158 P HA -0.060 nan 4.420 nan 0.000 0.261 1158 P C -0.030 177.372 177.300 0.170 0.000 1.288 1158 P CA 0.337 63.475 63.100 0.063 0.000 0.751 1158 P CB 0.222 31.939 31.700 0.029 0.000 1.103 1159 R N -0.811 119.784 120.500 0.158 0.000 2.566 1159 R HA 0.208 4.548 4.340 -0.000 0.000 0.388 1159 R C -0.056 176.322 176.300 0.130 0.000 0.989 1159 R CA 0.015 56.294 56.100 0.299 0.000 1.164 1159 R CB 0.304 30.789 30.300 0.308 0.000 1.459 1159 R HN 0.124 nan 8.270 nan 0.000 0.553 1160 S N -1.519 114.211 115.700 0.049 0.000 2.584 1160 S HA 0.275 4.745 4.470 -0.000 0.000 0.282 1160 S C -0.679 173.910 174.600 -0.018 0.000 1.138 1160 S CA -0.838 57.363 58.200 0.002 0.000 0.987 1160 S CB 1.345 64.555 63.200 0.015 0.000 1.137 1160 S HN -0.041 nan 8.310 nan 0.000 0.457 1161 T N 3.156 117.684 114.554 -0.044 0.000 2.817 1161 T HA 0.271 4.621 4.350 -0.000 0.000 0.293 1161 T C 1.626 176.306 174.700 -0.032 0.000 0.964 1161 T CA -0.533 61.532 62.100 -0.057 0.000 1.085 1161 T CB 1.201 70.006 68.868 -0.105 0.000 0.921 1161 T HN 0.680 nan 8.240 nan 0.000 0.502 1162 V N 3.435 123.347 119.914 -0.003 0.000 3.099 1162 V HA -0.084 4.036 4.120 -0.000 0.000 0.269 1162 V C 0.888 177.002 176.094 0.034 0.000 1.150 1162 V CA 1.261 63.583 62.300 0.037 0.000 1.165 1162 V CB -1.295 30.584 31.823 0.094 0.000 0.756 1162 V HN 0.708 nan 8.190 nan 0.000 0.527 1163 I N 1.722 122.283 120.570 -0.016 0.000 2.359 1163 I HA 0.241 4.411 4.170 -0.000 0.000 0.294 1163 I C -0.941 175.156 176.117 -0.034 0.000 0.987 1163 I CA -1.991 59.294 61.300 -0.025 0.000 1.225 1163 I CB 1.783 39.711 38.000 -0.121 0.000 1.366 1163 I HN -0.052 nan 8.210 nan 0.000 0.466 1164 P HA -0.090 nan 4.420 nan 0.000 0.218 1164 P C 0.903 178.185 177.300 -0.029 0.000 1.152 1164 P CA 1.236 64.326 63.100 -0.017 0.000 0.826 1164 P CB 0.387 32.086 31.700 -0.002 0.000 0.790 1165 E N 0.660 120.843 120.200 -0.028 0.000 2.021 1165 E HA -0.217 4.133 4.350 -0.000 0.000 0.200 1165 E C 1.786 178.355 176.600 -0.052 0.000 1.015 1165 E CA 1.706 58.087 56.400 -0.033 0.000 0.824 1165 E CB -0.706 28.976 29.700 -0.030 0.000 0.762 1165 E HN 0.217 nan 8.360 nan 0.000 0.454 1166 D N 0.484 120.839 120.400 -0.076 0.000 2.221 1166 D HA -0.140 4.500 4.640 -0.000 0.000 0.204 1166 D C 1.687 177.930 176.300 -0.095 0.000 0.982 1166 D CA 0.563 54.506 54.000 -0.096 0.000 0.857 1166 D CB -0.192 40.528 40.800 -0.133 0.000 0.934 1166 D HN 0.118 nan 8.370 nan 0.000 0.475 1167 E N 0.408 120.560 120.200 -0.081 0.000 2.200 1167 E HA -0.300 4.050 4.350 -0.000 0.000 0.211 1167 E C 1.891 178.431 176.600 -0.100 0.000 1.048 1167 E CA 1.386 57.737 56.400 -0.081 0.000 0.851 1167 E CB -0.164 29.503 29.700 -0.054 0.000 0.747 1167 E HN 0.364 nan 8.360 nan 0.000 0.462 1168 E N 0.561 120.711 120.200 -0.083 0.000 2.153 1168 E HA -0.132 4.217 4.350 -0.000 0.000 0.194 1168 E C 1.916 178.451 176.600 -0.108 0.000 0.988 1168 E CA 0.900 57.250 56.400 -0.083 0.000 0.811 1168 E CB -0.220 29.446 29.700 -0.056 0.000 0.746 1168 E HN 0.356 nan 8.360 nan 0.000 0.466 1169 I N -0.331 120.168 120.570 -0.119 0.000 3.059 1169 I HA -0.061 4.109 4.170 -0.000 0.000 0.270 1169 I C 1.282 177.280 176.117 -0.199 0.000 1.238 1169 I CA 0.083 61.302 61.300 -0.134 0.000 1.478 1169 I CB -0.040 37.890 38.000 -0.116 0.000 1.097 1169 I HN 0.071 nan 8.210 nan 0.000 0.455 1170 I N 0.654 121.054 120.570 -0.282 0.000 2.260 1170 I HA -0.193 3.977 4.170 -0.000 0.000 0.237 1170 I C 2.536 178.077 176.117 -0.961 0.000 1.075 1170 I CA 1.087 62.085 61.300 -0.503 0.000 1.376 1170 I CB -1.116 36.605 38.000 -0.466 0.000 1.107 1170 I HN 0.112 nan 8.210 nan 0.000 0.420 1171 Q N 1.489 120.800 119.800 -0.816 0.000 2.112 1171 Q HA -0.174 4.166 4.340 -0.000 0.000 0.206 1171 Q C 2.099 177.917 176.000 -0.302 0.000 0.987 1171 Q CA 1.857 57.267 55.803 -0.656 0.000 0.858 1171 Q CB -1.303 27.292 28.738 -0.238 0.000 0.905 1171 Q HN 0.483 nan 8.270 nan 0.000 0.420 1172 L N -0.305 120.794 121.223 -0.206 0.000 2.083 1172 L HA -0.124 4.216 4.340 -0.000 0.000 0.209 1172 L C 1.999 178.836 176.870 -0.055 0.000 1.083 1172 L CA 1.127 55.911 54.840 -0.093 0.000 0.752 1172 L CB -0.520 41.490 42.059 -0.080 0.000 0.899 1172 L HN 0.460 nan 8.230 nan 0.000 0.433 1173 H N -0.622 118.349 119.070 -0.166 0.000 2.820 1173 H HA 0.081 4.637 4.556 -0.000 0.000 0.291 1173 H C 0.642 176.116 175.328 0.243 0.000 1.412 1173 H CA 0.283 56.302 56.048 -0.048 0.000 1.176 1173 H CB -0.172 29.524 29.762 -0.111 0.000 1.467 1173 H HN 0.312 nan 8.280 nan 0.000 0.517 1174 F N -1.223 118.724 119.950 -0.004 0.000 2.671 1174 F HA 0.044 4.571 4.527 -0.000 0.000 0.303 1174 F C 1.300 177.067 175.800 -0.056 0.000 0.935 1174 F CA -0.461 57.535 58.000 -0.006 0.000 1.136 1174 F CB 0.596 39.600 39.000 0.007 0.000 0.929 1174 F HN 0.043 nan 8.300 nan 0.000 0.659 1187 Q N 0.648 120.428 119.800 -0.034 0.000 7.936 1187 Q HA -0.123 4.217 4.340 -0.000 0.000 0.368 1187 Q C -0.933 175.064 176.000 -0.005 0.000 0.943 1187 Q CA -0.088 55.705 55.803 -0.017 0.000 0.541 1187 Q CB -0.919 27.804 28.738 -0.025 0.000 0.164 1187 Q HN 0.610 nan 8.270 nan 0.000 0.899 1188 Q N 2.517 122.302 119.800 -0.024 0.000 2.281 1188 Q HA 0.387 4.727 4.340 -0.000 0.000 0.267 1188 Q C -0.305 175.700 176.000 0.009 0.000 1.053 1188 Q CA 0.271 56.075 55.803 0.001 0.000 0.905 1188 Q CB 1.242 29.967 28.738 -0.022 0.000 1.195 1188 Q HN 0.314 nan 8.270 nan 0.000 0.398 1189 S N 4.178 119.905 115.700 0.045 0.000 2.552 1189 S HA 0.054 4.524 4.470 -0.000 0.000 0.289 1189 S C -1.358 173.224 174.600 -0.030 0.000 1.304 1189 S CA -1.177 57.056 58.200 0.055 0.000 1.063 1189 S CB 0.573 63.865 63.200 0.153 0.000 0.848 1189 S HN 0.500 nan 8.310 nan 0.000 0.499 1190 P HA -0.006 nan 4.420 nan 0.000 0.233 1190 P C -0.284 176.672 177.300 -0.572 0.000 1.167 1190 P CA 0.434 63.257 63.100 -0.463 0.000 0.770 1190 P CB -0.026 31.277 31.700 -0.662 0.000 0.837 1191 W N 1.093 122.284 121.300 -0.183 0.000 2.388 1191 W HA 0.323 4.983 4.660 -0.000 0.000 0.308 1191 W C 0.324 176.806 176.519 -0.063 0.000 1.263 1191 W CA -0.956 56.326 57.345 -0.105 0.000 1.286 1191 W CB 0.437 29.884 29.460 -0.022 0.000 1.294 1191 W HN -0.119 nan 8.180 nan 0.000 0.493 1192 L N 6.352 127.743 121.223 0.280 0.000 2.295 1192 L HA 0.554 4.893 4.340 -0.000 0.000 0.285 1192 L C -1.085 175.888 176.870 0.171 0.000 1.035 1192 L CA -0.903 54.031 54.840 0.156 0.000 0.806 1192 L CB 0.884 42.987 42.059 0.074 0.000 1.214 1192 L HN 0.294 nan 8.230 nan 0.000 0.426 1193 L N 5.835 127.106 121.223 0.080 0.000 2.298 1193 L HA 0.604 4.944 4.340 -0.000 0.000 0.284 1193 L C -0.838 176.048 176.870 0.026 0.000 1.013 1193 L CA -0.285 54.589 54.840 0.058 0.000 0.824 1193 L CB 1.070 43.130 42.059 0.001 0.000 1.221 1193 L HN 0.803 nan 8.230 nan 0.000 0.418 1194 R N 5.177 125.711 120.500 0.057 0.000 2.480 1194 R HA 0.738 5.078 4.340 -0.000 0.000 0.306 1194 R C -1.728 174.592 176.300 0.035 0.000 0.958 1194 R CA -0.578 55.529 56.100 0.011 0.000 0.861 1194 R CB 1.151 31.419 30.300 -0.052 0.000 1.171 1194 R HN 0.765 nan 8.270 nan 0.000 0.445 1195 L N 3.231 124.460 121.223 0.011 0.000 2.313 1195 L HA 0.474 4.814 4.340 -0.000 0.000 0.283 1195 L C -0.265 176.611 176.870 0.009 0.000 1.013 1195 L CA -0.649 54.200 54.840 0.015 0.000 0.816 1195 L CB 1.923 43.984 42.059 0.004 0.000 1.236 1195 L HN 0.624 nan 8.230 nan 0.000 0.419 1196 E N 4.183 124.393 120.200 0.017 0.000 2.133 1196 E HA 0.503 4.852 4.350 -0.000 0.000 0.274 1196 E C -1.280 175.323 176.600 0.004 0.000 0.930 1196 E CA -0.601 55.806 56.400 0.012 0.000 0.770 1196 E CB 1.260 30.973 29.700 0.022 0.000 1.104 1196 E HN 0.489 nan 8.360 nan 0.000 0.403 1197 L N 2.967 124.188 121.223 -0.004 0.000 2.360 1197 L HA 0.385 4.725 4.340 -0.000 0.000 0.271 1197 L C 0.102 176.968 176.870 -0.008 0.000 1.057 1197 L CA -0.971 53.862 54.840 -0.012 0.000 0.803 1197 L CB 1.154 43.197 42.059 -0.026 0.000 1.207 1197 L HN 0.569 nan 8.230 nan 0.000 0.445 1198 D N 0.189 120.584 120.400 -0.009 0.000 2.210 1198 D HA 0.157 4.797 4.640 -0.000 0.000 0.249 1198 D C 0.894 177.189 176.300 -0.008 0.000 1.078 1198 D CA -0.283 53.713 54.000 -0.006 0.000 0.875 1198 D CB 1.363 42.160 40.800 -0.004 0.000 1.175 1198 D HN 0.407 nan 8.370 nan 0.000 0.440 1199 R N 3.187 123.684 120.500 -0.005 0.000 2.070 1199 R HA -0.145 4.195 4.340 -0.000 0.000 0.232 1199 R C 1.908 178.205 176.300 -0.006 0.000 1.138 1199 R CA 1.604 57.700 56.100 -0.006 0.000 0.936 1199 R CB -0.456 29.843 30.300 -0.003 0.000 0.839 1199 R HN 0.569 nan 8.270 nan 0.000 0.429 1200 A N 0.791 123.609 122.820 -0.004 0.000 1.971 1200 A HA -0.253 4.067 4.320 -0.000 0.000 0.222 1200 A C 2.364 179.947 177.584 -0.001 0.000 1.182 1200 A CA 2.181 54.218 52.037 -0.001 0.000 0.649 1200 A CB -0.966 18.035 19.000 0.001 0.000 0.818 1200 A HN 0.620 nan 8.150 nan 0.000 0.458 1201 A N -1.338 121.479 122.820 -0.005 0.000 1.930 1201 A HA -0.029 4.291 4.320 -0.000 0.000 0.217 1201 A C 1.927 179.502 177.584 -0.014 0.000 1.175 1201 A CA 1.692 53.725 52.037 -0.007 0.000 0.627 1201 A CB -0.377 18.616 19.000 -0.012 0.000 0.815 1201 A HN 0.429 nan 8.150 nan 0.000 0.443 1202 M N 0.544 120.133 119.600 -0.019 0.000 2.682 1202 M HA 0.036 4.516 4.480 -0.000 0.000 0.235 1202 M C 0.613 176.900 176.300 -0.022 0.000 1.114 1202 M CA 0.485 55.769 55.300 -0.027 0.000 1.053 1202 M CB -1.144 31.437 32.600 -0.030 0.000 1.599 1202 M HN 0.450 nan 8.290 nan 0.000 0.520 1203 N N -0.041 118.650 118.700 -0.014 0.000 2.804 1203 N HA -0.067 4.673 4.740 -0.000 0.000 0.233 1203 N C 1.288 176.792 175.510 -0.010 0.000 1.020 1203 N CA 0.343 53.385 53.050 -0.014 0.000 1.164 1203 N CB -0.484 37.997 38.487 -0.009 0.000 1.571 1203 N HN 0.276 nan 8.380 nan 0.000 0.551 1204 D N 1.367 121.770 120.400 0.005 0.000 2.191 1204 D HA -0.191 4.449 4.640 -0.000 0.000 0.190 1204 D C -0.127 176.188 176.300 0.025 0.000 1.007 1204 D CA 1.275 55.292 54.000 0.028 0.000 0.865 1204 D CB 0.129 40.965 40.800 0.060 0.000 0.929 1204 D HN 0.189 nan 8.370 nan 0.000 0.447 1205 K N 1.601 122.010 120.400 0.015 0.000 2.385 1205 K HA 0.072 4.392 4.320 -0.000 0.000 0.229 1205 K C -0.685 175.902 176.600 -0.022 0.000 1.089 1205 K CA -0.564 55.725 56.287 0.003 0.000 1.060 1205 K CB 0.858 33.359 32.500 0.001 0.000 1.698 1205 K HN 0.036 nan 8.250 nan 0.000 0.469 1206 D N 2.676 123.059 120.400 -0.029 0.000 6.161 1206 D HA -0.190 4.450 4.640 -0.000 0.000 0.164 1206 D C -0.700 175.576 176.300 -0.040 0.000 1.183 1206 D CA 1.317 55.295 54.000 -0.036 0.000 0.754 1206 D CB 0.256 41.031 40.800 -0.041 0.000 1.406 1206 D HN 0.381 nan 8.370 nan 0.000 0.807 1207 L N 2.469 123.668 121.223 -0.040 0.000 2.466 1207 L HA 0.334 4.674 4.340 -0.000 0.000 0.258 1207 L C 0.017 176.856 176.870 -0.051 0.000 0.973 1207 L CA -0.774 54.035 54.840 -0.052 0.000 0.826 1207 L CB 2.577 44.599 42.059 -0.062 0.000 1.372 1207 L HN 0.104 nan 8.230 nan 0.000 0.409 1208 T N 1.770 116.284 114.554 -0.066 0.000 2.856 1208 T HA 0.323 4.673 4.350 -0.000 0.000 0.283 1208 T C 1.027 175.652 174.700 -0.125 0.000 1.008 1208 T CA -0.694 61.369 62.100 -0.062 0.000 0.997 1208 T CB 1.868 70.712 68.868 -0.040 0.000 0.992 1208 T HN 0.408 nan 8.240 nan 0.000 0.454 1209 M N 1.888 121.420 119.600 -0.114 0.000 2.080 1209 M HA -0.034 4.446 4.480 -0.000 0.000 0.260 1209 M C 2.614 178.558 176.300 -0.594 0.000 1.068 1209 M CA 1.869 57.008 55.300 -0.267 0.000 1.109 1209 M CB -1.841 30.721 32.600 -0.064 0.000 1.342 1209 M HN 0.868 nan 8.290 nan 0.000 0.405 1210 G N 0.140 108.775 108.800 -0.275 0.000 2.513 1210 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.219 1210 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.219 1210 G C 1.475 176.158 174.900 -0.361 0.000 1.160 1210 G CA 1.085 46.065 45.100 -0.201 0.000 0.767 1210 G HN 0.581 nan 8.290 nan 0.000 0.571 1211 Q N -0.148 119.514 119.800 -0.229 0.000 1.927 1211 Q HA -0.134 4.206 4.340 -0.000 0.000 0.210 1211 Q C 2.863 178.701 176.000 -0.270 0.000 1.001 1211 Q CA 1.988 57.679 55.803 -0.187 0.000 0.862 1211 Q CB -0.770 27.891 28.738 -0.129 0.000 0.934 1211 Q HN 0.336 nan 8.270 nan 0.000 0.420 1212 V N 1.187 120.930 119.914 -0.286 0.000 2.226 1212 V HA -0.340 3.780 4.120 -0.000 0.000 0.254 1212 V C 2.324 178.196 176.094 -0.370 0.000 1.065 1212 V CA 2.246 64.379 62.300 -0.277 0.000 1.039 1212 V CB -1.802 29.866 31.823 -0.258 0.000 0.653 1212 V HN 0.689 nan 8.190 nan 0.000 0.450 1213 G N -0.666 107.717 108.800 -0.695 0.000 2.469 1213 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.219 1213 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.219 1213 G C 1.455 176.043 174.900 -0.520 0.000 1.150 1213 G CA 1.036 45.592 45.100 -0.906 0.000 0.763 1213 G HN 0.508 nan 8.290 nan 0.000 0.561 1214 E N 0.494 120.426 120.200 -0.447 0.000 2.070 1214 E HA -0.137 4.213 4.350 -0.000 0.000 0.197 1214 E C 2.829 179.389 176.600 -0.066 0.000 1.004 1214 E CA 0.759 57.082 56.400 -0.129 0.000 0.805 1214 E CB -0.250 29.404 29.700 -0.076 0.000 0.744 1214 E HN 0.203 nan 8.360 nan 0.000 0.451 1215 R N 0.458 120.895 120.500 -0.105 0.000 2.080 1215 R HA -0.091 4.249 4.340 -0.000 0.000 0.236 1215 R C 2.627 178.906 176.300 -0.034 0.000 1.137 1215 R CA 1.025 57.082 56.100 -0.071 0.000 0.943 1215 R CB -1.298 28.948 30.300 -0.091 0.000 0.846 1215 R HN 0.326 nan 8.270 nan 0.000 0.431 1216 I N 1.026 121.591 120.570 -0.009 0.000 2.118 1216 I HA -0.340 3.830 4.170 -0.000 0.000 0.241 1216 I C 2.488 178.752 176.117 0.245 0.000 1.070 1216 I CA 1.612 63.000 61.300 0.147 0.000 1.327 1216 I CB -0.515 37.558 38.000 0.121 0.000 1.034 1216 I HN 0.086 nan 8.210 nan 0.000 0.405 1217 K N 1.516 122.011 120.400 0.157 0.000 2.034 1217 K HA -0.273 4.047 4.320 -0.000 0.000 0.214 1217 K C 2.201 178.905 176.600 0.173 0.000 1.051 1217 K CA 2.306 58.712 56.287 0.199 0.000 0.931 1217 K CB -0.348 32.275 32.500 0.205 0.000 0.715 1217 K HN 0.624 nan 8.250 nan 0.000 0.446 1218 Q N -1.599 118.257 119.800 0.092 0.000 2.187 1218 Q HA -0.038 4.302 4.340 -0.000 0.000 0.199 1218 Q C 1.732 177.722 176.000 -0.017 0.000 0.957 1218 Q CA 1.507 57.339 55.803 0.047 0.000 0.857 1218 Q CB -0.339 28.410 28.738 0.018 0.000 0.929 1218 Q HN 0.164 nan 8.270 nan 0.000 0.453 1219 T N 0.729 115.223 114.554 -0.101 0.000 2.759 1219 T HA -0.099 4.251 4.350 -0.000 0.000 0.269 1219 T C 0.954 175.369 174.700 -0.474 0.000 1.042 1219 T CA 1.633 63.522 62.100 -0.353 0.000 1.140 1219 T CB -0.171 68.342 68.868 -0.592 0.000 0.864 1219 T HN 0.324 nan 8.240 nan 0.000 0.455 1220 F N 0.053 120.019 119.950 0.027 0.000 2.480 1220 F HA 0.350 4.877 4.527 -0.000 0.000 0.280 1220 F C 1.526 177.353 175.800 0.044 0.000 1.002 1220 F CA -0.385 57.636 58.000 0.035 0.000 1.325 1220 F CB -0.070 38.954 39.000 0.039 0.000 1.134 1220 F HN -0.074 nan 8.300 nan 0.000 0.646 1221 K N -0.470 120.090 120.400 0.267 0.000 5.297 1221 K HA -0.294 4.026 4.320 -0.000 0.000 0.184 1221 K C -0.226 176.474 176.600 0.167 0.000 1.193 1221 K CA 1.264 57.656 56.287 0.176 0.000 0.658 1221 K CB -1.368 31.201 32.500 0.115 0.000 0.653 1221 K HN 0.013 nan 8.250 nan 0.000 0.632 1222 N N 2.729 121.507 118.700 0.131 0.000 3.193 1222 N HA 0.105 4.845 4.740 -0.000 0.000 0.312 1222 N C -1.152 174.423 175.510 0.109 0.000 1.261 1222 N CA 1.210 54.326 53.050 0.109 0.000 1.208 1222 N CB -0.250 38.286 38.487 0.081 0.000 1.471 1222 N HN 0.483 nan 8.380 nan 0.000 0.548 1223 D N -1.846 118.629 120.400 0.124 0.000 3.899 1223 D HA 0.007 4.647 4.640 -0.000 0.000 0.270 1223 D C -0.828 175.522 176.300 0.083 0.000 0.842 1223 D CA -0.442 53.620 54.000 0.103 0.000 0.782 1223 D CB -0.961 39.903 40.800 0.107 0.000 1.750 1223 D HN 0.078 nan 8.370 nan 0.000 0.244 1224 L N 0.995 122.279 121.223 0.102 0.000 2.680 1224 L HA 0.573 4.913 4.340 -0.000 0.000 0.260 1224 L C -1.902 175.045 176.870 0.129 0.000 0.975 1224 L CA -0.989 53.876 54.840 0.042 0.000 0.920 1224 L CB 1.244 43.219 42.059 -0.139 0.000 1.234 1224 L HN 0.045 nan 8.230 nan 0.000 0.429 1225 F N 5.947 125.899 119.950 0.002 0.000 2.504 1225 F HA 0.655 5.182 4.527 -0.000 0.000 0.369 1225 F C -0.645 175.159 175.800 0.005 0.000 1.082 1225 F CA -0.105 57.903 58.000 0.013 0.000 1.216 1225 F CB 0.770 39.771 39.000 0.001 0.000 1.108 1225 F HN 0.238 nan 8.300 nan 0.000 0.554 1226 V N 7.766 127.361 119.914 -0.532 0.000 2.656 1226 V HA 0.556 4.676 4.120 -0.000 0.000 0.307 1226 V C 0.010 175.708 176.094 -0.660 0.000 1.051 1226 V CA -0.779 61.248 62.300 -0.455 0.000 0.893 1226 V CB 1.702 33.539 31.823 0.025 0.000 0.999 1226 V HN 0.737 nan 8.190 nan 0.000 0.426 1227 I N 2.236 122.471 120.570 -0.559 0.000 3.457 1227 I HA 0.832 5.002 4.170 -0.000 0.000 0.307 1227 I C -1.363 174.709 176.117 -0.075 0.000 1.138 1227 I CA -0.759 60.107 61.300 -0.723 0.000 0.974 1227 I CB 2.522 40.041 38.000 -0.802 0.000 1.324 1227 I HN 0.883 nan 8.210 nan 0.000 0.485 1228 W N 0.061 121.240 121.300 -0.202 0.000 3.524 1228 W HA 0.541 5.201 4.660 -0.000 0.000 0.287 1228 W C -0.818 175.662 176.519 -0.064 0.000 1.247 1228 W CA -0.877 56.398 57.345 -0.116 0.000 1.197 1228 W CB -0.414 28.996 29.460 -0.084 0.000 1.323 1228 W HN 0.633 nan 8.180 nan 0.000 0.567 1229 S N 0.372 116.189 115.700 0.196 0.000 2.632 1229 S HA 0.512 4.982 4.470 -0.000 0.000 0.254 1229 S C -0.302 174.417 174.600 0.199 0.000 1.291 1229 S CA 0.167 58.434 58.200 0.112 0.000 0.974 1229 S CB 1.180 64.416 63.200 0.061 0.000 1.016 1229 S HN 0.651 nan 8.310 nan 0.000 0.579 1230 E N -0.510 119.760 120.200 0.116 0.000 2.199 1230 E HA 0.299 4.649 4.350 -0.000 0.000 0.269 1230 E C 0.206 176.854 176.600 0.080 0.000 0.899 1230 E CA -0.591 55.883 56.400 0.124 0.000 0.772 1230 E CB 1.129 30.875 29.700 0.077 0.000 1.155 1230 E HN 0.557 nan 8.360 nan 0.000 0.408 1231 D N 2.808 123.254 120.400 0.076 0.000 2.315 1231 D HA -0.291 4.349 4.640 -0.000 0.000 0.198 1231 D C 1.076 177.393 176.300 0.027 0.000 1.010 1231 D CA 0.888 54.912 54.000 0.039 0.000 0.911 1231 D CB 0.314 41.133 40.800 0.031 0.000 0.897 1231 D HN 0.439 nan 8.370 nan 0.000 0.455 1232 N N 1.316 120.034 118.700 0.030 0.000 2.028 1232 N HA -0.114 4.626 4.740 -0.000 0.000 0.194 1232 N C 0.319 175.838 175.510 0.015 0.000 1.050 1232 N CA 0.857 53.919 53.050 0.020 0.000 0.848 1232 N CB -0.118 38.381 38.487 0.019 0.000 1.038 1232 N HN 0.112 nan 8.380 nan 0.000 0.423 1233 D N 0.536 120.946 120.400 0.017 0.000 2.482 1233 D HA -0.171 4.469 4.640 -0.000 0.000 0.228 1233 D C 1.087 177.392 176.300 0.008 0.000 1.257 1233 D CA 0.756 54.763 54.000 0.011 0.000 0.885 1233 D CB 0.366 41.174 40.800 0.013 0.000 1.242 1233 D HN 0.555 nan 8.370 nan 0.000 0.520 1234 E N 0.005 120.208 120.200 0.005 0.000 2.478 1234 E HA 0.033 4.383 4.350 -0.000 0.000 0.194 1234 E C 0.070 176.673 176.600 0.004 0.000 1.045 1234 E CA 0.549 56.951 56.400 0.003 0.000 0.868 1234 E CB 0.364 30.065 29.700 0.002 0.000 0.885 1234 E HN 0.140 nan 8.360 nan 0.000 0.505 1235 K N 1.507 121.910 120.400 0.005 0.000 2.613 1235 K HA 0.336 4.656 4.320 -0.000 0.000 0.248 1235 K C -1.145 175.460 176.600 0.009 0.000 0.959 1235 K CA -0.470 55.820 56.287 0.005 0.000 0.855 1235 K CB 1.865 34.365 32.500 0.001 0.000 1.143 1235 K HN 0.058 nan 8.250 nan 0.000 0.437 1236 L N 5.490 126.719 121.223 0.010 0.000 2.319 1236 L HA 0.505 4.845 4.340 -0.000 0.000 0.280 1236 L C 0.003 176.881 176.870 0.013 0.000 1.099 1236 L CA -0.172 54.677 54.840 0.014 0.000 0.828 1236 L CB 0.156 42.218 42.059 0.004 0.000 1.150 1236 L HN 0.455 nan 8.230 nan 0.000 0.442 1237 I N 3.792 124.378 120.570 0.027 0.000 3.004 1237 I HA 0.486 4.656 4.170 -0.000 0.000 0.305 1237 I C -0.882 175.267 176.117 0.054 0.000 1.312 1237 I CA -0.541 60.770 61.300 0.020 0.000 0.992 1237 I CB 2.948 40.944 38.000 -0.005 0.000 1.282 1237 I HN 0.420 nan 8.210 nan 0.000 0.449 1238 I N 3.038 123.625 120.570 0.028 0.000 2.569 1238 I HA 0.494 4.664 4.170 -0.000 0.000 0.290 1238 I C -0.819 175.290 176.117 -0.013 0.000 1.088 1238 I CA -0.591 60.739 61.300 0.051 0.000 1.047 1238 I CB 2.258 40.271 38.000 0.021 0.000 1.237 1238 I HN 0.426 nan 8.210 nan 0.000 0.421 1239 R N 4.239 124.707 120.500 -0.054 0.000 2.562 1239 R HA 0.807 5.147 4.340 -0.000 0.000 0.298 1239 R C -1.511 174.700 176.300 -0.147 0.000 0.961 1239 R CA -0.562 55.473 56.100 -0.109 0.000 0.881 1239 R CB 2.158 32.369 30.300 -0.148 0.000 1.159 1239 R HN 0.582 nan 8.270 nan 0.000 0.450 1240 C N 1.256 120.493 119.300 -0.107 0.000 2.698 1240 C HA 0.516 4.976 4.460 -0.000 0.000 0.309 1240 C C 1.004 175.967 174.990 -0.044 0.000 1.186 1240 C CA -0.730 58.219 59.018 -0.115 0.000 1.474 1240 C CB 2.203 29.867 27.740 -0.126 0.000 2.020 1240 C HN 0.961 nan 8.230 nan 0.000 0.474 1241 R N 0.687 121.188 120.500 0.001 0.000 2.306 1241 R HA 0.612 4.952 4.340 -0.000 0.000 0.183 1241 R C -0.110 176.226 176.300 0.060 0.000 0.937 1241 R CA 0.425 56.568 56.100 0.070 0.000 1.118 1241 R CB 0.385 30.778 30.300 0.156 0.000 1.224 1241 R HN 0.614 nan 8.270 nan 0.000 0.597 1242 V N -0.910 119.039 119.914 0.059 0.000 1.979 1242 V HA -0.177 3.943 4.120 -0.000 0.000 0.275 1242 V C -1.119 175.020 176.094 0.074 0.000 1.327 1242 V CA -0.140 62.183 62.300 0.039 0.000 2.001 1242 V CB -0.724 31.122 31.823 0.039 0.000 0.844 1242 V HN 0.136 nan 8.190 nan 0.000 0.182 1243 V N -1.659 118.292 119.914 0.062 0.000 3.076 1243 V HA 0.964 5.084 4.120 -0.000 0.000 0.311 1243 V C -0.538 175.584 176.094 0.047 0.000 1.461 1243 V CA -0.065 62.268 62.300 0.055 0.000 1.029 1243 V CB 1.900 33.757 31.823 0.056 0.000 1.061 1243 V HN 1.530 nan 8.190 nan 0.000 0.474 1244 R N -0.304 120.218 120.500 0.036 0.000 3.236 1244 R HA 0.886 5.226 4.340 -0.000 0.000 0.234 1244 R C -2.500 173.818 176.300 0.030 0.000 1.541 1244 R CA -1.184 54.935 56.100 0.031 0.000 1.038 1244 R CB -0.895 29.416 30.300 0.018 0.000 1.587 1244 R HN 0.585 nan 8.270 nan 0.000 0.515 1255 E N -0.102 120.184 120.200 0.144 0.000 2.373 1255 E HA -0.120 4.230 4.350 -0.000 0.000 0.338 1255 E C 0.394 177.068 176.600 0.123 0.000 1.001 1255 E CA 0.700 57.198 56.400 0.163 0.000 1.017 1255 E CB -1.179 28.586 29.700 0.109 0.000 1.307 1255 E HN 0.744 nan 8.360 nan 0.000 0.419 1256 E N 0.494 120.758 120.200 0.106 0.000 2.047 1256 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 1256 E C 1.566 178.019 176.600 -0.244 0.000 0.987 1256 E CA 1.363 57.771 56.400 0.013 0.000 0.799 1256 E CB -0.067 29.763 29.700 0.216 0.000 0.752 1256 E HN 0.507 nan 8.360 nan 0.000 0.449 1257 D N 0.470 120.471 120.400 -0.665 0.000 2.378 1257 D HA -0.191 4.449 4.640 -0.000 0.000 0.222 1257 D C 1.435 177.451 176.300 -0.474 0.000 0.980 1257 D CA 0.880 54.382 54.000 -0.830 0.000 0.907 1257 D CB -0.123 39.787 40.800 -1.483 0.000 0.899 1257 D HN 0.274 nan 8.370 nan 0.000 0.527 1258 H N -0.402 118.525 119.070 -0.238 0.000 2.448 1258 H HA 0.063 4.619 4.556 -0.000 0.000 0.292 1258 H C 1.814 177.082 175.328 -0.100 0.000 1.035 1258 H CA 1.083 57.050 56.048 -0.136 0.000 1.349 1258 H CB 0.300 30.011 29.762 -0.084 0.000 1.425 1258 H HN 0.263 nan 8.280 nan 0.000 0.539 1259 M N 0.283 119.892 119.600 0.016 0.000 2.357 1259 M HA -0.002 4.477 4.480 -0.000 0.000 0.266 1259 M C 1.980 178.258 176.300 -0.037 0.000 1.095 1259 M CA 0.846 56.148 55.300 0.004 0.000 1.156 1259 M CB -0.161 32.450 32.600 0.017 0.000 1.365 1259 M HN 0.102 nan 8.290 nan 0.000 0.447 1260 L N 0.382 121.547 121.223 -0.096 0.000 2.131 1260 L HA -0.135 4.204 4.340 -0.000 0.000 0.210 1260 L C 1.933 178.752 176.870 -0.085 0.000 1.092 1260 L CA 1.917 56.696 54.840 -0.102 0.000 0.759 1260 L CB -0.549 41.420 42.059 -0.151 0.000 0.903 1260 L HN 0.285 nan 8.230 nan 0.000 0.435 1261 K N -0.764 119.576 120.400 -0.099 0.000 2.211 1261 K HA -0.142 4.178 4.320 -0.000 0.000 0.203 1261 K C 1.992 178.578 176.600 -0.022 0.000 1.050 1261 K CA 1.237 57.482 56.287 -0.069 0.000 0.945 1261 K CB 0.016 32.462 32.500 -0.090 0.000 0.732 1261 K HN 0.338 nan 8.250 nan 0.000 0.451 1262 K N 0.640 121.036 120.400 -0.007 0.000 2.031 1262 K HA -0.038 4.282 4.320 -0.000 0.000 0.205 1262 K C 1.837 178.462 176.600 0.042 0.000 1.049 1262 K CA 1.157 57.457 56.287 0.022 0.000 0.939 1262 K CB -0.071 32.447 32.500 0.031 0.000 0.717 1262 K HN 0.038 nan 8.250 nan 0.000 0.438 1263 I N 1.664 122.254 120.570 0.035 0.000 2.850 1263 I HA -0.211 3.959 4.170 -0.000 0.000 0.266 1263 I C 2.326 178.478 176.117 0.059 0.000 1.257 1263 I CA 0.752 62.091 61.300 0.065 0.000 1.465 1263 I CB -0.237 37.730 38.000 -0.055 0.000 1.091 1263 I HN 0.226 nan 8.210 nan 0.000 0.467 1264 E N 1.757 121.971 120.200 0.023 0.000 2.031 1264 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 1264 E C 1.775 178.403 176.600 0.046 0.000 0.994 1264 E CA 1.931 58.344 56.400 0.021 0.000 0.800 1264 E CB -0.258 29.442 29.700 -0.001 0.000 0.752 1264 E HN 0.353 nan 8.360 nan 0.000 0.447 1265 N N -0.784 117.943 118.700 0.046 0.000 2.135 1265 N HA -0.054 4.686 4.740 -0.000 0.000 0.186 1265 N C 1.594 177.143 175.510 0.065 0.000 1.027 1265 N CA 2.004 55.082 53.050 0.046 0.000 0.849 1265 N CB -0.489 38.018 38.487 0.035 0.000 1.002 1265 N HN 0.206 nan 8.380 nan 0.000 0.425 1266 T N 0.705 115.314 114.554 0.091 0.000 2.760 1266 T HA -0.181 4.169 4.350 -0.000 0.000 0.269 1266 T C 1.806 176.576 174.700 0.116 0.000 1.047 1266 T CA 1.077 63.239 62.100 0.103 0.000 1.139 1266 T CB -0.157 68.811 68.868 0.167 0.000 0.855 1266 T HN 0.254 nan 8.240 nan 0.000 0.471 1267 M N 0.012 119.714 119.600 0.171 0.000 2.156 1267 M HA 0.113 4.593 4.480 -0.000 0.000 0.264 1267 M C 1.796 178.140 176.300 0.073 0.000 1.067 1267 M CA 1.302 56.702 55.300 0.168 0.000 1.131 1267 M CB -0.239 32.471 32.600 0.183 0.000 1.368 1267 M HN 0.229 nan 8.290 nan 0.000 0.416 1268 L N -0.965 120.290 121.223 0.054 0.000 2.592 1268 L HA 0.034 4.374 4.340 -0.000 0.000 0.227 1268 L C 0.228 177.113 176.870 0.025 0.000 1.127 1268 L CA 0.452 55.309 54.840 0.029 0.000 0.884 1268 L CB 0.057 42.131 42.059 0.025 0.000 1.065 1268 L HN 0.273 nan 8.230 nan 0.000 0.457 1269 E N -0.419 119.799 120.200 0.029 0.000 3.625 1269 E HA 0.150 4.500 4.350 -0.000 0.000 0.166 1269 E C -0.224 176.390 176.600 0.024 0.000 0.978 1269 E CA -0.023 56.394 56.400 0.028 0.000 1.429 1269 E CB 0.487 30.203 29.700 0.027 0.000 1.100 1269 E HN 0.088 nan 8.360 nan 0.000 0.428 1270 N N 0.178 118.886 118.700 0.013 0.000 1.926 1270 N HA 0.173 4.913 4.740 -0.000 0.000 0.221 1270 N C -0.892 174.598 175.510 -0.034 0.000 1.410 1270 N CA 0.146 53.192 53.050 -0.007 0.000 0.711 1270 N CB 1.095 39.569 38.487 -0.022 0.000 1.126 1270 N HN 0.124 nan 8.380 nan 0.000 0.546 1271 I N 1.490 122.044 120.570 -0.027 0.000 2.382 1271 I HA 0.282 4.452 4.170 -0.000 0.000 0.286 1271 I C -0.451 175.628 176.117 -0.063 0.000 1.002 1271 I CA -0.027 61.241 61.300 -0.054 0.000 1.135 1271 I CB 1.887 39.860 38.000 -0.045 0.000 1.288 1271 I HN -0.241 nan 8.210 nan 0.000 0.448 1272 T N 6.616 121.125 114.554 -0.076 0.000 2.855 1272 T HA 0.388 4.738 4.350 -0.000 0.000 0.281 1272 T C 0.596 175.216 174.700 -0.133 0.000 1.007 1272 T CA -0.437 61.576 62.100 -0.145 0.000 1.009 1272 T CB 2.243 71.064 68.868 -0.077 0.000 0.983 1272 T HN 0.241 nan 8.240 nan 0.000 0.455 1273 L N 1.710 122.832 121.223 -0.167 0.000 2.276 1273 L HA 0.438 4.778 4.340 -0.000 0.000 0.194 1273 L C 1.261 178.068 176.870 -0.104 0.000 1.099 1273 L CA 1.264 56.030 54.840 -0.125 0.000 0.800 1273 L CB -0.351 41.634 42.059 -0.124 0.000 0.994 1273 L HN 0.431 nan 8.230 nan 0.000 0.475 1274 R N -1.688 118.741 120.500 -0.118 0.000 2.939 1274 R HA 0.608 4.948 4.340 -0.000 0.000 0.254 1274 R C -0.252 176.012 176.300 -0.059 0.000 1.123 1274 R CA -0.267 55.789 56.100 -0.073 0.000 1.020 1274 R CB 1.334 31.600 30.300 -0.057 0.000 1.206 1274 R HN 0.268 nan 8.270 nan 0.000 0.491 1275 G N -0.285 108.514 108.800 -0.001 0.000 2.725 1275 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.220 1275 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.220 1275 G C -1.163 173.804 174.900 0.112 0.000 1.357 1275 G CA -0.515 44.619 45.100 0.058 0.000 0.866 1275 G HN 0.493 nan 8.290 nan 0.000 0.548 1276 V N -0.105 119.889 119.914 0.133 0.000 2.735 1276 V HA 0.637 4.757 4.120 -0.000 0.000 0.310 1276 V C 0.570 176.688 176.094 0.040 0.000 1.061 1276 V CA -0.270 62.086 62.300 0.092 0.000 0.913 1276 V CB 1.536 33.380 31.823 0.035 0.000 1.005 1276 V HN 1.303 nan 8.190 nan 0.000 0.428 1277 E N 3.327 123.489 120.200 -0.064 0.000 2.521 1277 E HA -0.043 4.307 4.350 -0.000 0.000 0.270 1277 E C 0.451 176.910 176.600 -0.235 0.000 1.082 1277 E CA 0.460 56.674 56.400 -0.310 0.000 0.997 1277 E CB -0.120 29.468 29.700 -0.186 0.000 0.990 1277 E HN 0.681 nan 8.360 nan 0.000 0.458 1278 N N -0.316 118.209 118.700 -0.292 0.000 2.932 1278 N HA -0.202 4.538 4.740 -0.000 0.000 0.227 1278 N C -0.101 175.349 175.510 -0.100 0.000 0.854 1278 N CA 1.666 54.619 53.050 -0.160 0.000 1.064 1278 N CB -1.115 37.309 38.487 -0.106 0.000 1.029 1278 N HN 0.518 nan 8.380 nan 0.000 0.619 1279 I N 2.403 122.926 120.570 -0.078 0.000 2.280 1279 I HA 0.118 4.288 4.170 -0.000 0.000 0.287 1279 I C 1.286 177.418 176.117 0.024 0.000 1.121 1279 I CA 0.189 61.481 61.300 -0.014 0.000 1.798 1279 I CB -0.835 37.173 38.000 0.014 0.000 1.489 1279 I HN 0.055 nan 8.210 nan 0.000 0.805 1280 E N 3.603 123.807 120.200 0.007 0.000 4.556 1280 E HA 0.160 4.510 4.350 -0.000 0.000 0.530 1280 E C 0.506 177.120 176.600 0.022 0.000 1.427 1280 E CA -0.220 56.198 56.400 0.029 0.000 3.438 1280 E CB 0.232 29.936 29.700 0.008 0.000 1.625 1280 E HN 0.299 nan 8.360 nan 0.000 0.559 1281 R N -0.746 119.752 120.500 -0.004 0.000 2.442 1281 R HA -0.031 4.309 4.340 -0.000 0.000 0.274 1281 R C -0.860 175.447 176.300 0.011 0.000 0.944 1281 R CA 0.375 56.458 56.100 -0.028 0.000 1.097 1281 R CB -0.381 29.887 30.300 -0.054 0.000 0.847 1281 R HN 0.073 nan 8.270 nan 0.000 0.430 1282 V N 3.763 123.707 119.914 0.050 0.000 2.612 1282 V HA 0.223 4.343 4.120 -0.000 0.000 0.301 1282 V C -0.158 176.013 176.094 0.127 0.000 1.059 1282 V CA -0.796 61.549 62.300 0.074 0.000 0.886 1282 V CB 2.089 33.954 31.823 0.070 0.000 1.007 1282 V HN 0.480 nan 8.190 nan 0.000 0.426 1283 V N 4.898 124.862 119.914 0.083 0.000 2.837 1283 V HA 0.542 4.662 4.120 -0.000 0.000 0.310 1283 V C 0.175 176.295 176.094 0.043 0.000 1.059 1283 V CA -0.661 61.696 62.300 0.095 0.000 1.004 1283 V CB 1.944 33.811 31.823 0.074 0.000 1.045 1283 V HN 0.774 nan 8.190 nan 0.000 0.465 1284 M N 3.747 123.375 119.600 0.047 0.000 2.363 1284 M HA 0.598 5.077 4.480 -0.000 0.000 0.343 1284 M C -0.956 175.415 176.300 0.119 0.000 1.165 1284 M CA -0.255 55.076 55.300 0.051 0.000 1.046 1284 M CB 1.659 34.250 32.600 -0.015 0.000 1.648 1284 M HN 0.436 nan 8.290 nan 0.000 0.452 1285 M N 2.596 122.274 119.600 0.130 0.000 2.322 1285 M HA 0.288 4.767 4.480 -0.000 0.000 0.286 1285 M C -0.970 175.280 176.300 -0.082 0.000 1.111 1285 M CA -0.467 54.825 55.300 -0.014 0.000 0.941 1285 M CB 2.244 34.612 32.600 -0.386 0.000 1.671 1285 M HN 0.554 nan 8.290 nan 0.000 0.470 1286 K N 3.503 123.774 120.400 -0.215 0.000 2.319 1286 K HA 0.355 4.675 4.320 -0.000 0.000 0.237 1286 K C -1.062 175.414 176.600 -0.207 0.000 1.113 1286 K CA -0.099 55.788 56.287 -0.668 0.000 1.072 1286 K CB 0.286 32.080 32.500 -1.177 0.000 1.734 1286 K HN 0.594 nan 8.250 nan 0.000 0.429 1287 Y N 0.867 121.075 120.300 -0.153 0.000 2.457 1287 Y HA -0.056 4.494 4.550 -0.000 0.000 0.341 1287 Y C 0.754 176.598 175.900 -0.093 0.000 1.240 1287 Y CA -0.668 57.397 58.100 -0.059 0.000 1.437 1287 Y CB 0.717 39.208 38.460 0.052 0.000 1.328 1287 Y HN 0.425 nan 8.280 nan 0.000 0.588 1288 D N 2.930 123.388 120.400 0.096 0.000 2.373 1288 D HA 0.187 4.826 4.640 -0.000 0.000 0.227 1288 D C -0.726 175.579 176.300 0.008 0.000 1.091 1288 D CA -0.372 53.636 54.000 0.014 0.000 0.840 1288 D CB 0.654 41.449 40.800 -0.009 0.000 1.060 1288 D HN 0.438 nan 8.370 nan 0.000 0.502 1289 R N 3.061 123.568 120.500 0.012 0.000 2.513 1289 R HA 0.338 4.678 4.340 -0.000 0.000 0.301 1289 R C -0.630 175.680 176.300 0.017 0.000 0.968 1289 R CA -0.729 55.374 56.100 0.006 0.000 0.872 1289 R CB 1.216 31.522 30.300 0.010 0.000 1.177 1289 R HN 0.138 nan 8.270 nan 0.000 0.444 1290 K N 2.601 123.019 120.400 0.030 0.000 2.249 1290 K HA 0.372 4.692 4.320 -0.000 0.000 0.280 1290 K C -0.994 175.706 176.600 0.167 0.000 1.033 1290 K CA -0.417 55.925 56.287 0.092 0.000 0.946 1290 K CB 1.837 34.384 32.500 0.079 0.000 1.005 1290 K HN 0.305 nan 8.250 nan 0.000 0.469 1291 V N 4.321 124.342 119.914 0.178 0.000 3.178 1291 V HA 0.311 4.431 4.120 -0.000 0.000 0.302 1291 V C -2.634 173.386 176.094 -0.123 0.000 1.262 1291 V CA -2.457 59.893 62.300 0.083 0.000 1.030 1291 V CB 2.628 34.450 31.823 -0.002 0.000 1.074 1291 V HN 0.574 nan 8.190 nan 0.000 0.438 1292 P HA 0.174 nan 4.420 nan 0.000 0.267 1292 P C -0.673 176.475 177.300 -0.253 0.000 1.205 1292 P CA 0.511 63.269 63.100 -0.570 0.000 0.765 1292 P CB 0.627 31.986 31.700 -0.567 0.000 0.828 1293 S N 4.977 120.566 115.700 -0.185 0.000 2.603 1293 S HA 0.249 4.719 4.470 -0.000 0.000 0.268 1293 S C -1.069 173.475 174.600 -0.093 0.000 1.317 1293 S CA -1.401 56.742 58.200 -0.095 0.000 1.012 1293 S CB -0.141 63.028 63.200 -0.051 0.000 0.926 1293 S HN 0.325 nan 8.310 nan 0.000 0.539 1294 P HA -0.070 nan 4.420 nan 0.000 0.222 1294 P C 1.272 178.545 177.300 -0.045 0.000 1.147 1294 P CA 1.370 64.439 63.100 -0.052 0.000 0.790 1294 P CB -0.355 31.325 31.700 -0.033 0.000 0.780 1295 T N -3.770 110.762 114.554 -0.036 0.000 3.081 1295 T HA 0.328 4.678 4.350 -0.000 0.000 0.255 1295 T C 1.345 176.032 174.700 -0.023 0.000 1.113 1295 T CA 1.424 63.512 62.100 -0.019 0.000 1.082 1295 T CB -0.264 68.603 68.868 -0.003 0.000 0.939 1295 T HN 0.278 nan 8.240 nan 0.000 0.506 1296 G N 1.106 109.871 108.800 -0.057 0.000 2.906 1296 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.196 1296 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.196 1296 G C -0.491 174.361 174.900 -0.080 0.000 2.215 1296 G CA -0.173 44.886 45.100 -0.068 0.000 1.518 1296 G HN 0.672 nan 8.290 nan 0.000 0.495 1297 E N 0.963 121.158 120.200 -0.007 0.000 2.485 1297 E HA 0.391 4.741 4.350 -0.000 0.000 0.266 1297 E C -0.588 176.029 176.600 0.028 0.000 1.090 1297 E CA 0.120 56.553 56.400 0.055 0.000 0.987 1297 E CB 0.211 29.950 29.700 0.066 0.000 0.974 1297 E HN 0.473 nan 8.360 nan 0.000 0.455 1298 Y N 0.127 120.426 120.300 -0.000 0.000 2.304 1298 Y HA 0.417 4.967 4.550 -0.000 0.000 0.328 1298 Y C 0.092 175.989 175.900 -0.005 0.000 1.123 1298 Y CA -0.399 57.697 58.100 -0.006 0.000 1.218 1298 Y CB 1.033 39.492 38.460 -0.003 0.000 1.207 1298 Y HN 0.183 nan 8.280 nan 0.000 0.495 1299 V N 2.732 122.720 119.914 0.123 0.000 3.078 1299 V HA 0.310 4.430 4.120 -0.000 0.000 0.311 1299 V C -0.792 175.336 176.094 0.056 0.000 1.138 1299 V CA -1.993 60.350 62.300 0.072 0.000 1.007 1299 V CB 2.216 34.058 31.823 0.033 0.000 1.045 1299 V HN 0.538 nan 8.190 nan 0.000 0.432 1300 K N 2.190 122.612 120.400 0.036 0.000 2.395 1300 K HA 0.152 4.472 4.320 -0.000 0.000 0.283 1300 K C -0.033 176.571 176.600 0.007 0.000 1.068 1300 K CA 0.434 56.732 56.287 0.018 0.000 1.039 1300 K CB 0.325 32.829 32.500 0.008 0.000 0.924 1300 K HN 0.642 nan 8.250 nan 0.000 0.468 1301 E N 5.070 125.273 120.200 0.004 0.000 3.568 1301 E HA 0.131 4.481 4.350 -0.000 0.000 0.213 1301 E C -2.335 174.253 176.600 -0.020 0.000 1.197 1301 E CA -2.121 54.275 56.400 -0.006 0.000 1.126 1301 E CB 0.557 30.256 29.700 -0.002 0.000 1.285 1301 E HN 0.342 nan 8.360 nan 0.000 0.418 1302 P HA -0.118 nan 4.420 nan 0.000 0.261 1302 P C -0.692 176.526 177.300 -0.138 0.000 1.173 1302 P CA 0.661 63.707 63.100 -0.091 0.000 0.760 1302 P CB 0.631 32.247 31.700 -0.140 0.000 0.783 1303 E N 2.478 122.613 120.200 -0.109 0.000 2.299 1303 E HA 0.495 4.845 4.350 -0.000 0.000 0.260 1303 E C -1.156 175.330 176.600 -0.190 0.000 0.944 1303 E CA -1.073 55.277 56.400 -0.083 0.000 0.815 1303 E CB 0.956 30.697 29.700 0.069 0.000 1.252 1303 E HN 0.302 nan 8.360 nan 0.000 0.418 1304 W N 0.719 122.052 121.300 0.055 0.000 2.438 1304 W HA 0.510 5.170 4.660 -0.000 0.000 0.324 1304 W C -0.911 175.585 176.519 -0.039 0.000 1.119 1304 W CA -0.375 56.965 57.345 -0.009 0.000 1.221 1304 W CB 1.821 31.279 29.460 -0.004 0.000 1.253 1304 W HN 0.265 nan 8.180 nan 0.000 0.555 1305 V N 3.818 123.772 119.914 0.068 0.000 2.888 1305 V HA 0.425 4.545 4.120 -0.000 0.000 0.309 1305 V C -0.512 175.484 176.094 -0.164 0.000 1.114 1305 V CA -1.306 60.917 62.300 -0.128 0.000 0.940 1305 V CB 1.532 33.104 31.823 -0.418 0.000 1.021 1305 V HN 0.340 nan 8.190 nan 0.000 0.426 1306 L N 2.748 123.894 121.223 -0.128 0.000 2.289 1306 L HA 0.594 4.934 4.340 -0.000 0.000 0.285 1306 L C 0.052 176.859 176.870 -0.106 0.000 1.049 1306 L CA -0.349 54.441 54.840 -0.085 0.000 0.804 1306 L CB 1.335 43.370 42.059 -0.040 0.000 1.195 1306 L HN 0.674 nan 8.230 nan 0.000 0.428 1307 E N 2.077 122.241 120.200 -0.059 0.000 2.129 1307 E HA 0.236 4.586 4.350 -0.000 0.000 0.268 1307 E C -0.320 176.277 176.600 -0.005 0.000 0.900 1307 E CA -0.364 56.020 56.400 -0.027 0.000 0.755 1307 E CB 2.281 31.985 29.700 0.008 0.000 1.117 1307 E HN 0.508 nan 8.360 nan 0.000 0.410 1308 T N 1.099 115.647 114.554 -0.011 0.000 2.887 1308 T HA -0.032 4.318 4.350 -0.000 0.000 0.371 1308 T C 0.129 174.829 174.700 0.000 0.000 1.126 1308 T CA 0.416 62.513 62.100 -0.005 0.000 1.043 1308 T CB 0.237 69.096 68.868 -0.016 0.000 1.362 1308 T HN 0.513 nan 8.240 nan 0.000 0.525 1309 D N -0.567 119.830 120.400 -0.005 0.000 4.239 1309 D HA 0.297 4.937 4.640 -0.000 0.000 0.242 1309 D C -0.496 175.796 176.300 -0.014 0.000 1.453 1309 D CA 0.407 54.404 54.000 -0.006 0.000 0.841 1309 D CB -0.445 40.354 40.800 -0.003 0.000 1.362 1309 D HN 0.918 nan 8.370 nan 0.000 0.855 1310 G N -0.635 108.152 108.800 -0.021 0.000 2.358 1310 G HA2 0.381 4.341 3.960 -0.000 0.000 0.303 1310 G HA3 0.381 4.341 3.960 -0.000 0.000 0.303 1310 G C -1.965 172.913 174.900 -0.036 0.000 1.537 1310 G CA -0.455 44.626 45.100 -0.031 0.000 0.928 1310 G HN 0.146 nan 8.290 nan 0.000 0.656 1311 V N 1.200 121.088 119.914 -0.044 0.000 2.638 1311 V HA 0.792 4.912 4.120 -0.000 0.000 0.306 1311 V C -0.749 175.319 176.094 -0.044 0.000 1.052 1311 V CA -0.893 61.380 62.300 -0.045 0.000 0.885 1311 V CB 2.121 33.912 31.823 -0.053 0.000 0.999 1311 V HN 0.928 nan 8.190 nan 0.000 0.424 1312 N N 3.591 122.270 118.700 -0.035 0.000 2.549 1312 N HA 0.380 5.120 4.740 -0.000 0.000 0.290 1312 N C -0.324 175.176 175.510 -0.016 0.000 1.122 1312 N CA -0.470 52.563 53.050 -0.029 0.000 0.885 1312 N CB 1.906 40.375 38.487 -0.029 0.000 1.455 1312 N HN 0.463 nan 8.380 nan 0.000 0.521 1313 L N 2.907 124.123 121.223 -0.012 0.000 2.265 1313 L HA 0.325 4.664 4.340 -0.000 0.000 0.195 1313 L C 1.721 178.597 176.870 0.010 0.000 1.083 1313 L CA 1.476 56.317 54.840 0.001 0.000 0.798 1313 L CB -0.837 41.224 42.059 0.003 0.000 0.989 1313 L HN 0.665 nan 8.230 nan 0.000 0.472 1314 S N -0.659 115.045 115.700 0.006 0.000 2.547 1314 S HA -0.139 4.330 4.470 -0.000 0.000 0.255 1314 S C 1.092 175.699 174.600 0.011 0.000 0.977 1314 S CA 1.383 59.589 58.200 0.010 0.000 0.960 1314 S CB -0.599 62.603 63.200 0.005 0.000 0.746 1314 S HN 0.676 nan 8.310 nan 0.000 0.532 1315 E N -0.121 120.085 120.200 0.010 0.000 3.155 1315 E HA 0.122 4.472 4.350 -0.000 0.000 0.208 1315 E C 1.568 178.179 176.600 0.017 0.000 1.060 1315 E CA 0.494 56.901 56.400 0.012 0.000 1.522 1315 E CB -0.180 29.524 29.700 0.007 0.000 1.433 1315 E HN 0.365 nan 8.360 nan 0.000 0.709 1316 V N 2.608 122.531 119.914 0.015 0.000 3.186 1316 V HA -0.154 3.966 4.120 -0.000 0.000 0.270 1316 V C 2.267 178.379 176.094 0.029 0.000 1.149 1316 V CA 1.418 63.730 62.300 0.020 0.000 1.160 1316 V CB -0.668 31.163 31.823 0.014 0.000 0.758 1316 V HN 0.247 nan 8.190 nan 0.000 0.516 1317 M N 1.094 120.713 119.600 0.031 0.000 2.325 1317 M HA -0.092 4.388 4.480 -0.000 0.000 0.265 1317 M C 2.257 178.581 176.300 0.040 0.000 1.094 1317 M CA 1.964 57.289 55.300 0.042 0.000 1.161 1317 M CB -0.056 32.569 32.600 0.042 0.000 1.358 1317 M HN 0.491 nan 8.290 nan 0.000 0.446 1318 T N -1.206 113.367 114.554 0.032 0.000 3.160 1318 T HA 0.130 4.480 4.350 -0.000 0.000 0.257 1318 T C 0.613 175.331 174.700 0.031 0.000 1.147 1318 T CA -0.155 61.963 62.100 0.030 0.000 1.064 1318 T CB -0.972 67.910 68.868 0.024 0.000 0.949 1318 T HN 0.155 nan 8.240 nan 0.000 0.526 1319 V N 4.697 124.630 119.914 0.032 0.000 2.763 1319 V HA 0.209 4.329 4.120 -0.000 0.000 0.306 1319 V C -1.498 174.620 176.094 0.040 0.000 1.059 1319 V CA -1.546 60.773 62.300 0.032 0.000 1.138 1319 V CB 0.601 32.443 31.823 0.031 0.000 0.940 1319 V HN 0.433 nan 8.190 nan 0.000 0.489 1320 P HA 0.328 nan 4.420 nan 0.000 0.276 1320 P C 0.681 178.018 177.300 0.060 0.000 1.244 1320 P CA 0.643 63.770 63.100 0.047 0.000 0.801 1320 P CB 1.279 33.000 31.700 0.035 0.000 1.006 1321 G N 0.871 109.726 108.800 0.091 0.000 2.241 1321 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.244 1321 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.244 1321 G C 0.287 175.273 174.900 0.144 0.000 0.998 1321 G CA 0.371 45.552 45.100 0.135 0.000 0.621 1321 G HN 0.775 nan 8.290 nan 0.000 0.519 1322 I N -2.110 118.521 120.570 0.102 0.000 3.062 1322 I HA 0.774 4.944 4.170 -0.000 0.000 0.316 1322 I C -0.697 175.474 176.117 0.090 0.000 1.041 1322 I CA -1.132 60.227 61.300 0.098 0.000 1.069 1322 I CB 1.656 39.706 38.000 0.084 0.000 1.300 1322 I HN -0.073 nan 8.210 nan 0.000 0.518 1323 D N 3.904 124.369 120.400 0.108 0.000 2.412 1323 D HA 0.298 4.938 4.640 -0.000 0.000 0.224 1323 D C -1.911 174.454 176.300 0.108 0.000 1.093 1323 D CA -2.058 51.999 54.000 0.096 0.000 0.850 1323 D CB 1.564 42.433 40.800 0.115 0.000 1.046 1323 D HN 0.398 nan 8.370 nan 0.000 0.507 1324 P HA 0.041 nan 4.420 nan 0.000 0.256 1324 P C 0.778 178.126 177.300 0.079 0.000 1.335 1324 P CA 0.179 63.326 63.100 0.077 0.000 0.808 1324 P CB 0.605 32.339 31.700 0.058 0.000 1.305 1325 T N -0.628 113.975 114.554 0.082 0.000 2.964 1325 T HA 0.204 4.554 4.350 -0.000 0.000 0.249 1325 T C 1.447 176.199 174.700 0.087 0.000 1.000 1325 T CA 0.259 62.399 62.100 0.067 0.000 0.992 1325 T CB 0.206 69.094 68.868 0.033 0.000 1.087 1325 T HN 0.107 nan 8.240 nan 0.000 0.489 1326 R N 0.544 121.124 120.500 0.134 0.000 2.472 1326 R HA 0.439 4.779 4.340 -0.000 0.000 0.279 1326 R C 0.551 177.104 176.300 0.422 0.000 0.953 1326 R CA -0.223 55.987 56.100 0.183 0.000 1.088 1326 R CB 0.528 30.843 30.300 0.026 0.000 1.197 1326 R HN 0.356 nan 8.270 nan 0.000 0.536 1327 I N 1.272 122.027 120.570 0.309 0.000 2.752 1327 I HA -0.058 4.112 4.170 -0.000 0.000 0.287 1327 I C -0.926 175.390 176.117 0.332 0.000 1.188 1327 I CA 0.277 61.739 61.300 0.271 0.000 1.427 1327 I CB 0.338 38.433 38.000 0.159 0.000 1.365 1327 I HN 0.014 nan 8.210 nan 0.000 0.585 1328 Y N 5.679 126.054 120.300 0.126 0.000 2.504 1328 Y HA 0.484 5.034 4.550 -0.000 0.000 0.344 1328 Y C -1.051 174.898 175.900 0.083 0.000 1.023 1328 Y CA -0.794 57.378 58.100 0.120 0.000 1.020 1328 Y CB 1.995 40.554 38.460 0.166 0.000 1.282 1328 Y HN 0.545 nan 8.280 nan 0.000 0.454 1329 T N 4.848 118.978 114.554 -0.707 0.000 2.886 1329 T HA 0.172 4.522 4.350 -0.000 0.000 0.292 1329 T C 0.509 174.737 174.700 -0.787 0.000 1.012 1329 T CA -0.714 61.053 62.100 -0.554 0.000 0.982 1329 T CB 1.042 69.773 68.868 -0.228 0.000 1.018 1329 T HN 0.715 nan 8.240 nan 0.000 0.451 1330 N N 0.868 119.305 118.700 -0.438 0.000 2.459 1330 N HA -0.054 4.686 4.740 -0.000 0.000 0.181 1330 N C 0.852 176.374 175.510 0.021 0.000 1.046 1330 N CA 0.253 53.182 53.050 -0.202 0.000 0.904 1330 N CB 0.135 38.601 38.487 -0.034 0.000 0.964 1330 N HN 0.363 nan 8.380 nan 0.000 0.444 1331 S N 0.430 116.106 115.700 -0.039 0.000 3.072 1331 S HA 0.137 4.607 4.470 -0.000 0.000 0.306 1331 S C 0.717 175.297 174.600 -0.033 0.000 1.207 1331 S CA -0.937 57.247 58.200 -0.026 0.000 1.008 1331 S CB -1.190 61.947 63.200 -0.105 0.000 1.390 1331 S HN 0.368 nan 8.310 nan 0.000 0.523 1332 F N 4.107 124.053 119.950 -0.005 0.000 2.192 1332 F HA -0.115 4.412 4.527 -0.000 0.000 0.301 1332 F C 1.611 177.433 175.800 0.036 0.000 1.079 1332 F CA 0.634 58.659 58.000 0.042 0.000 1.303 1332 F CB -0.767 38.284 39.000 0.085 0.000 1.024 1332 F HN 0.450 nan 8.300 nan 0.000 0.494 1333 I N 1.239 121.347 120.570 -0.770 0.000 2.145 1333 I HA -0.322 3.848 4.170 -0.000 0.000 0.244 1333 I C 2.114 178.119 176.117 -0.186 0.000 1.075 1333 I CA 1.994 62.999 61.300 -0.491 0.000 1.332 1333 I CB -1.223 36.500 38.000 -0.462 0.000 1.033 1333 I HN 0.304 nan 8.210 nan 0.000 0.410 1334 D N 1.498 121.811 120.400 -0.144 0.000 2.081 1334 D HA -0.127 4.513 4.640 -0.000 0.000 0.194 1334 D C 2.289 178.584 176.300 -0.008 0.000 0.986 1334 D CA 1.418 55.379 54.000 -0.064 0.000 0.837 1334 D CB -0.171 40.593 40.800 -0.060 0.000 0.985 1334 D HN 0.325 nan 8.370 nan 0.000 0.448 1335 I N 1.287 121.874 120.570 0.029 0.000 2.576 1335 I HA -0.265 3.905 4.170 -0.000 0.000 0.263 1335 I C 2.446 178.618 176.117 0.092 0.000 1.183 1335 I CA 0.565 61.916 61.300 0.086 0.000 1.432 1335 I CB -0.248 37.847 38.000 0.158 0.000 1.100 1335 I HN 0.135 nan 8.210 nan 0.000 0.452 1336 M N 0.445 120.089 119.600 0.073 0.000 2.349 1336 M HA -0.118 4.362 4.480 -0.000 0.000 0.266 1336 M C 1.671 178.000 176.300 0.048 0.000 1.076 1336 M CA 1.814 57.160 55.300 0.077 0.000 1.126 1336 M CB -0.128 32.515 32.600 0.072 0.000 1.392 1336 M HN 0.245 nan 8.290 nan 0.000 0.440 1337 E N -1.211 119.005 120.200 0.026 0.000 2.364 1337 E HA -0.001 4.349 4.350 -0.000 0.000 0.196 1337 E C 1.901 178.515 176.600 0.024 0.000 0.990 1337 E CA 0.198 56.609 56.400 0.018 0.000 0.886 1337 E CB 0.515 30.216 29.700 0.001 0.000 0.866 1337 E HN 0.260 nan 8.360 nan 0.000 0.493 1338 V N 1.001 120.933 119.914 0.030 0.000 2.326 1338 V HA -0.085 4.035 4.120 -0.000 0.000 0.238 1338 V C 1.848 177.968 176.094 0.044 0.000 1.038 1338 V CA 1.158 63.478 62.300 0.033 0.000 1.032 1338 V CB -0.067 31.777 31.823 0.035 0.000 0.675 1338 V HN 0.217 nan 8.190 nan 0.000 0.467 1339 L N 0.067 121.325 121.223 0.058 0.000 2.592 1339 L HA 0.491 4.831 4.340 -0.000 0.000 0.227 1339 L C 0.915 177.821 176.870 0.061 0.000 1.127 1339 L CA 0.631 55.508 54.840 0.062 0.000 0.884 1339 L CB -0.448 41.659 42.059 0.080 0.000 1.065 1339 L HN 0.538 nan 8.230 nan 0.000 0.457 1340 G N 0.217 109.053 108.800 0.060 0.000 2.629 1340 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.686 1340 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.686 1340 G C 0.204 175.148 174.900 0.073 0.000 1.232 1340 G CA -0.224 44.912 45.100 0.059 0.000 0.803 1340 G HN 0.014 nan 8.290 nan 0.000 0.638 1341 I N 0.186 120.798 120.570 0.071 0.000 2.163 1341 I HA -0.150 4.020 4.170 -0.000 0.000 0.243 1341 I C 2.585 178.757 176.117 0.091 0.000 1.085 1341 I CA 2.207 63.557 61.300 0.084 0.000 1.347 1341 I CB -0.025 38.021 38.000 0.076 0.000 1.044 1341 I HN 0.707 nan 8.210 nan 0.000 0.408 1342 E N 0.812 121.059 120.200 0.078 0.000 2.097 1342 E HA -0.257 4.092 4.350 -0.000 0.000 0.196 1342 E C 2.144 178.793 176.600 0.082 0.000 1.000 1342 E CA 1.569 58.014 56.400 0.075 0.000 0.804 1342 E CB -0.362 29.375 29.700 0.061 0.000 0.740 1342 E HN 0.645 nan 8.360 nan 0.000 0.454 1343 A N 0.426 123.297 122.820 0.085 0.000 2.066 1343 A HA 0.001 4.321 4.320 -0.000 0.000 0.218 1343 A C 2.345 180.012 177.584 0.137 0.000 1.157 1343 A CA 1.580 53.676 52.037 0.098 0.000 0.670 1343 A CB -0.592 18.465 19.000 0.095 0.000 0.804 1343 A HN 0.319 nan 8.150 nan 0.000 0.453 1344 G N -0.624 108.262 108.800 0.144 0.000 2.404 1344 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.214 1344 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.214 1344 G C 1.698 176.714 174.900 0.192 0.000 1.189 1344 G CA 0.722 45.939 45.100 0.196 0.000 0.789 1344 G HN 0.471 nan 8.290 nan 0.000 0.533 1345 R N 0.709 121.297 120.500 0.146 0.000 2.117 1345 R HA -0.123 4.217 4.340 -0.000 0.000 0.243 1345 R C 2.770 179.146 176.300 0.127 0.000 1.143 1345 R CA 1.570 57.745 56.100 0.125 0.000 0.968 1345 R CB -0.441 29.920 30.300 0.102 0.000 0.863 1345 R HN 0.305 nan 8.270 nan 0.000 0.444 1346 A N 0.790 123.678 122.820 0.113 0.000 1.834 1346 A HA -0.185 4.135 4.320 -0.000 0.000 0.216 1346 A C 2.397 180.064 177.584 0.140 0.000 1.203 1346 A CA 2.149 54.239 52.037 0.088 0.000 0.621 1346 A CB -1.208 17.831 19.000 0.065 0.000 0.841 1346 A HN 0.526 nan 8.150 nan 0.000 0.446 1347 A N -0.715 122.225 122.820 0.199 0.000 1.873 1347 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 1347 A C 2.180 179.872 177.584 0.180 0.000 1.193 1347 A CA 2.097 54.315 52.037 0.302 0.000 0.629 1347 A CB -0.922 18.353 19.000 0.458 0.000 0.826 1347 A HN 0.919 nan 8.150 nan 0.000 0.447 1348 L N -1.317 119.950 121.223 0.074 0.000 2.010 1348 L HA -0.267 4.073 4.340 -0.000 0.000 0.219 1348 L C 2.349 179.159 176.870 -0.100 0.000 1.077 1348 L CA 2.885 57.579 54.840 -0.244 0.000 0.773 1348 L CB -1.058 40.914 42.059 -0.145 0.000 0.892 1348 L HN 0.578 nan 8.230 nan 0.000 0.436 1349 Y N -0.201 120.054 120.300 -0.076 0.000 2.089 1349 Y HA -0.311 4.239 4.550 -0.000 0.000 0.282 1349 Y C 2.667 178.571 175.900 0.006 0.000 1.139 1349 Y CA 2.076 60.153 58.100 -0.038 0.000 1.123 1349 Y CB -0.242 38.209 38.460 -0.015 0.000 0.980 1349 Y HN 0.115 nan 8.280 nan 0.000 0.493 1350 K N 0.680 121.340 120.400 0.433 0.000 2.066 1350 K HA -0.331 3.989 4.320 -0.000 0.000 0.221 1350 K C 1.981 178.678 176.600 0.162 0.000 1.056 1350 K CA 2.403 58.847 56.287 0.261 0.000 0.950 1350 K CB -0.580 31.983 32.500 0.105 0.000 0.726 1350 K HN 0.446 nan 8.250 nan 0.000 0.456 1351 E N -0.141 120.135 120.200 0.126 0.000 2.047 1351 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 1351 E C 2.007 178.611 176.600 0.007 0.000 0.987 1351 E CA 1.112 57.559 56.400 0.078 0.000 0.799 1351 E CB -0.069 29.649 29.700 0.030 0.000 0.752 1351 E HN 0.100 nan 8.360 nan 0.000 0.449 1352 V N 0.615 120.473 119.914 -0.095 0.000 2.282 1352 V HA -0.324 3.795 4.120 -0.000 0.000 0.249 1352 V C 2.139 178.176 176.094 -0.095 0.000 1.057 1352 V CA 2.324 64.539 62.300 -0.141 0.000 1.032 1352 V CB -0.815 30.865 31.823 -0.238 0.000 0.645 1352 V HN 0.447 nan 8.190 nan 0.000 0.447 1353 Y N 1.181 121.307 120.300 -0.289 0.000 2.165 1353 Y HA -0.267 4.283 4.550 -0.000 0.000 0.286 1353 Y C 2.686 178.540 175.900 -0.077 0.000 1.155 1353 Y CA 2.039 60.002 58.100 -0.229 0.000 1.164 1353 Y CB -0.256 38.084 38.460 -0.200 0.000 0.978 1353 Y HN 0.285 nan 8.280 nan 0.000 0.513 1354 N N -0.042 118.880 118.700 0.370 0.000 2.149 1354 N HA -0.227 4.513 4.740 -0.000 0.000 0.188 1354 N C 1.850 177.433 175.510 0.120 0.000 1.019 1354 N CA 1.538 54.751 53.050 0.271 0.000 0.857 1354 N CB -0.364 38.226 38.487 0.171 0.000 0.997 1354 N HN 0.337 nan 8.380 nan 0.000 0.426 1355 V N 1.709 121.656 119.914 0.055 0.000 2.490 1355 V HA -0.129 3.991 4.120 -0.000 0.000 0.250 1355 V C 1.966 178.045 176.094 -0.024 0.000 1.061 1355 V CA 1.193 63.499 62.300 0.010 0.000 1.064 1355 V CB -0.164 31.652 31.823 -0.011 0.000 0.670 1355 V HN 0.223 nan 8.190 nan 0.000 0.461 1356 I N -0.290 120.240 120.570 -0.065 0.000 2.716 1356 I HA -0.010 4.160 4.170 -0.000 0.000 0.259 1356 I C 2.378 178.423 176.117 -0.120 0.000 1.172 1356 I CA 1.059 62.288 61.300 -0.119 0.000 1.478 1356 I CB -0.362 37.518 38.000 -0.199 0.000 1.104 1356 I HN 0.335 nan 8.210 nan 0.000 0.439 1357 A N 0.515 123.276 122.820 -0.100 0.000 2.044 1357 A HA -0.078 4.242 4.320 -0.000 0.000 0.213 1357 A C 2.428 180.022 177.584 0.017 0.000 1.169 1357 A CA 1.019 53.026 52.037 -0.050 0.000 0.724 1357 A CB -0.439 18.599 19.000 0.065 0.000 0.840 1357 A HN 0.432 nan 8.150 nan 0.000 0.463 1358 S N 0.422 116.141 115.700 0.030 0.000 2.370 1358 S HA -0.207 4.263 4.470 -0.000 0.000 0.226 1358 S C 1.164 175.772 174.600 0.013 0.000 1.033 1358 S CA 1.594 59.812 58.200 0.030 0.000 1.011 1358 S CB -0.557 62.661 63.200 0.031 0.000 0.852 1358 S HN 0.496 nan 8.310 nan 0.000 0.457 1359 D N 1.365 121.763 120.400 -0.002 0.000 2.338 1359 D HA 0.191 4.831 4.640 -0.000 0.000 0.239 1359 D C 1.506 177.802 176.300 -0.007 0.000 1.095 1359 D CA 0.740 54.736 54.000 -0.007 0.000 0.888 1359 D CB -0.257 40.532 40.800 -0.019 0.000 0.899 1359 D HN 0.669 nan 8.370 nan 0.000 0.525 1360 G N 0.798 109.596 108.800 -0.004 0.000 2.205 1360 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.269 1360 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.269 1360 G C 0.848 175.748 174.900 0.000 0.000 0.977 1360 G CA 0.964 46.063 45.100 -0.001 0.000 0.652 1360 G HN 0.390 nan 8.290 nan 0.000 0.539 1361 S N -0.905 114.789 115.700 -0.011 0.000 2.634 1361 S HA 0.524 4.994 4.470 -0.000 0.000 0.254 1361 S C -0.251 174.374 174.600 0.041 0.000 1.299 1361 S CA 0.609 58.809 58.200 -0.001 0.000 0.974 1361 S CB 0.903 64.081 63.200 -0.037 0.000 1.001 1361 S HN 1.067 nan 8.310 nan 0.000 0.584 1362 Y N -0.363 119.874 120.300 -0.105 0.000 2.441 1362 Y HA 0.542 5.092 4.550 -0.000 0.000 0.334 1362 Y C -1.744 174.101 175.900 -0.092 0.000 1.061 1362 Y CA -1.319 56.704 58.100 -0.128 0.000 1.032 1362 Y CB 0.787 39.195 38.460 -0.088 0.000 1.266 1362 Y HN 0.328 nan 8.280 nan 0.000 0.441 1363 V N 6.608 126.207 119.914 -0.525 0.000 2.483 1363 V HA 0.282 4.402 4.120 -0.000 0.000 0.297 1363 V C -0.146 175.640 176.094 -0.513 0.000 1.027 1363 V CA -1.280 60.709 62.300 -0.518 0.000 0.855 1363 V CB 1.615 33.313 31.823 -0.210 0.000 0.995 1363 V HN 0.839 nan 8.190 nan 0.000 0.424 1364 N N 3.357 121.746 118.700 -0.519 0.000 2.411 1364 N HA -0.090 4.650 4.740 -0.000 0.000 0.265 1364 N C 1.159 176.666 175.510 -0.005 0.000 1.266 1364 N CA 0.371 53.330 53.050 -0.152 0.000 0.889 1364 N CB 0.405 38.803 38.487 -0.149 0.000 1.069 1364 N HN 0.805 nan 8.380 nan 0.000 0.476 1365 Y N 6.041 126.413 120.300 0.121 0.000 2.110 1365 Y HA -0.452 4.098 4.550 -0.000 0.000 0.258 1365 Y C 2.283 178.217 175.900 0.058 0.000 1.271 1365 Y CA 3.205 61.429 58.100 0.207 0.000 1.080 1365 Y CB -0.198 38.422 38.460 0.267 0.000 0.892 1365 Y HN 0.775 nan 8.280 nan 0.000 0.510 1366 R N -1.087 119.447 120.500 0.057 0.000 2.174 1366 R HA -0.270 4.070 4.340 -0.000 0.000 0.253 1366 R C 1.742 177.917 176.300 -0.207 0.000 1.165 1366 R CA 1.939 57.928 56.100 -0.184 0.000 0.984 1366 R CB -1.202 28.846 30.300 -0.420 0.000 0.873 1366 R HN 0.498 nan 8.270 nan 0.000 0.456 1367 H N 0.745 119.786 119.070 -0.048 0.000 2.268 1367 H HA 0.019 4.575 4.556 -0.000 0.000 0.304 1367 H C 2.188 177.437 175.328 -0.131 0.000 1.064 1367 H CA 1.777 57.785 56.048 -0.066 0.000 1.316 1367 H CB -0.552 29.160 29.762 -0.083 0.000 1.386 1367 H HN 0.132 nan 8.280 nan 0.000 0.496 1368 M N 0.729 120.289 119.600 -0.067 0.000 2.088 1368 M HA -0.209 4.271 4.480 -0.000 0.000 0.256 1368 M C 2.596 178.790 176.300 -0.176 0.000 1.071 1368 M CA 1.799 56.969 55.300 -0.217 0.000 1.097 1368 M CB -0.451 31.858 32.600 -0.484 0.000 1.315 1368 M HN 0.335 nan 8.290 nan 0.000 0.406 1369 A N 0.291 122.976 122.820 -0.225 0.000 1.873 1369 A HA -0.272 4.048 4.320 -0.000 0.000 0.219 1369 A C 2.100 179.636 177.584 -0.080 0.000 1.269 1369 A CA 2.153 54.054 52.037 -0.227 0.000 0.671 1369 A CB -1.445 17.264 19.000 -0.486 0.000 0.842 1369 A HN 0.513 nan 8.150 nan 0.000 0.460 1370 L N -0.776 120.420 121.223 -0.045 0.000 2.010 1370 L HA -0.229 4.111 4.340 -0.000 0.000 0.219 1370 L C 2.570 179.425 176.870 -0.024 0.000 1.077 1370 L CA 2.848 57.692 54.840 0.007 0.000 0.773 1370 L CB -1.289 40.814 42.059 0.073 0.000 0.892 1370 L HN 0.568 nan 8.230 nan 0.000 0.436 1371 L N -0.427 120.766 121.223 -0.050 0.000 1.971 1371 L HA -0.199 4.141 4.340 -0.000 0.000 0.215 1371 L C 2.569 179.406 176.870 -0.055 0.000 1.072 1371 L CA 2.042 56.835 54.840 -0.078 0.000 0.758 1371 L CB -1.235 40.759 42.059 -0.107 0.000 0.889 1371 L HN 0.097 nan 8.230 nan 0.000 0.433 1372 V N 0.586 120.473 119.914 -0.045 0.000 2.252 1372 V HA -0.355 3.765 4.120 -0.000 0.000 0.249 1372 V C 2.446 178.552 176.094 0.019 0.000 1.056 1372 V CA 2.231 64.527 62.300 -0.006 0.000 1.022 1372 V CB -1.026 30.825 31.823 0.048 0.000 0.641 1372 V HN 0.518 nan 8.190 nan 0.000 0.445 1373 D N 0.040 120.451 120.400 0.019 0.000 2.123 1373 D HA -0.143 4.497 4.640 -0.000 0.000 0.196 1373 D C 2.154 178.463 176.300 0.014 0.000 0.992 1373 D CA 1.614 55.631 54.000 0.027 0.000 0.833 1373 D CB -0.150 40.665 40.800 0.025 0.000 0.954 1373 D HN 0.382 nan 8.370 nan 0.000 0.455 1374 V N 1.224 121.134 119.914 -0.007 0.000 2.515 1374 V HA -0.194 3.926 4.120 -0.000 0.000 0.250 1374 V C 2.393 178.490 176.094 0.006 0.000 1.058 1374 V CA 1.130 63.420 62.300 -0.017 0.000 1.064 1374 V CB -0.373 31.416 31.823 -0.056 0.000 0.675 1374 V HN 0.209 nan 8.190 nan 0.000 0.461 1375 M N 0.172 119.781 119.600 0.016 0.000 2.562 1375 M HA -0.055 4.425 4.480 -0.000 0.000 0.257 1375 M C 1.877 178.221 176.300 0.073 0.000 1.099 1375 M CA 1.666 56.996 55.300 0.050 0.000 1.099 1375 M CB -0.241 32.390 32.600 0.053 0.000 1.427 1375 M HN 0.642 nan 8.290 nan 0.000 0.489 1376 T N -4.785 109.807 114.554 0.063 0.000 2.964 1376 T HA 0.065 4.415 4.350 -0.000 0.000 0.249 1376 T C 1.712 176.449 174.700 0.062 0.000 1.000 1376 T CA 0.583 62.728 62.100 0.075 0.000 0.992 1376 T CB -0.498 68.421 68.868 0.086 0.000 1.087 1376 T HN 0.326 nan 8.240 nan 0.000 0.489 1377 T N 1.961 116.543 114.554 0.046 0.000 2.505 1377 T HA -0.379 3.971 4.350 -0.000 0.000 0.259 1377 T C 1.937 176.663 174.700 0.042 0.000 1.158 1377 T CA 1.902 64.025 62.100 0.038 0.000 1.190 1377 T CB -1.188 67.685 68.868 0.009 0.000 0.864 1377 T HN 0.407 nan 8.240 nan 0.000 0.413 1378 Q N 1.602 121.425 119.800 0.038 0.000 2.268 1378 Q HA -0.165 4.175 4.340 -0.000 0.000 0.213 1378 Q C 1.888 177.916 176.000 0.046 0.000 0.995 1378 Q CA 1.989 57.816 55.803 0.040 0.000 0.901 1378 Q CB -0.557 28.207 28.738 0.044 0.000 0.921 1378 Q HN 0.906 nan 8.270 nan 0.000 0.421 1379 G N -3.535 105.297 108.800 0.054 0.000 3.758 1379 G HA2 0.057 4.017 3.960 -0.000 0.000 0.206 1379 G HA3 0.057 4.017 3.960 -0.000 0.000 0.206 1379 G C 0.229 175.165 174.900 0.059 0.000 0.946 1379 G CA 0.122 45.255 45.100 0.054 0.000 0.885 1379 G HN 0.565 nan 8.290 nan 0.000 0.392 1380 G N -0.338 108.502 108.800 0.066 0.000 3.517 1380 G HA2 0.488 4.448 3.960 -0.000 0.000 0.173 1380 G HA3 0.488 4.448 3.960 -0.000 0.000 0.173 1380 G C -1.047 173.910 174.900 0.094 0.000 1.340 1380 G CA -0.187 44.957 45.100 0.073 0.000 1.228 1380 G HN 0.525 nan 8.290 nan 0.000 0.745 1381 L N 2.598 123.879 121.223 0.096 0.000 2.457 1381 L HA 0.386 4.726 4.340 -0.000 0.000 0.252 1381 L C -0.413 176.531 176.870 0.123 0.000 1.132 1381 L CA -0.312 54.606 54.840 0.130 0.000 0.938 1381 L CB 1.346 43.496 42.059 0.151 0.000 1.246 1381 L HN 0.249 nan 8.230 nan 0.000 0.476 1382 T N 0.823 115.447 114.554 0.117 0.000 2.814 1382 T HA 0.172 4.522 4.350 -0.000 0.000 0.297 1382 T C 0.606 175.395 174.700 0.149 0.000 0.956 1382 T CA -0.181 61.994 62.100 0.124 0.000 1.123 1382 T CB 0.994 69.932 68.868 0.118 0.000 0.902 1382 T HN 0.597 nan 8.240 nan 0.000 0.528 1383 S N 1.946 117.746 115.700 0.167 0.000 2.632 1383 S HA 0.330 4.799 4.470 -0.000 0.000 0.271 1383 S C 0.354 175.102 174.600 0.248 0.000 1.260 1383 S CA -0.976 57.334 58.200 0.183 0.000 1.010 1383 S CB 0.850 64.161 63.200 0.185 0.000 0.965 1383 S HN 0.394 nan 8.310 nan 0.000 0.534 1384 V N 2.729 122.773 119.914 0.216 0.000 1.973 1384 V HA 0.288 4.408 4.120 -0.000 0.000 0.255 1384 V C 0.039 176.356 176.094 0.371 0.000 1.605 1384 V CA 0.056 62.537 62.300 0.302 0.000 1.542 1384 V CB -1.625 30.220 31.823 0.037 0.000 1.504 1384 V HN 1.010 nan 8.190 nan 0.000 0.505 1385 T N 0.611 115.350 114.554 0.308 0.000 2.843 1385 T HA 0.293 4.643 4.350 -0.000 0.000 0.302 1385 T C 0.943 175.459 174.700 -0.306 0.000 1.232 1385 T CA -0.800 61.303 62.100 0.005 0.000 1.009 1385 T CB 2.239 71.050 68.868 -0.096 0.000 1.254 1385 T HN 0.358 nan 8.240 nan 0.000 0.504 1386 R N 0.238 120.511 120.500 -0.379 0.000 2.185 1386 R HA -0.195 4.145 4.340 -0.000 0.000 0.247 1386 R C 1.442 177.524 176.300 -0.365 0.000 1.159 1386 R CA 1.952 57.788 56.100 -0.441 0.000 0.988 1386 R CB -0.225 29.776 30.300 -0.499 0.000 0.871 1386 R HN 0.664 nan 8.270 nan 0.000 0.458 1387 H N -1.749 117.271 119.070 -0.083 0.000 2.465 1387 H HA 0.162 4.718 4.556 -0.000 0.000 0.289 1387 H C 1.708 177.006 175.328 -0.049 0.000 1.022 1387 H CA 0.895 56.910 56.048 -0.054 0.000 1.340 1387 H CB -0.429 29.325 29.762 -0.013 0.000 1.437 1387 H HN 0.353 nan 8.280 nan 0.000 0.539 1388 G N 1.493 110.313 108.800 0.033 0.000 2.832 1388 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.187 1388 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.187 1388 G C 1.415 176.331 174.900 0.026 0.000 1.817 1388 G CA 0.462 45.605 45.100 0.071 0.000 0.896 1388 G HN 0.338 nan 8.290 nan 0.000 0.453 1389 F N 1.445 121.416 119.950 0.035 0.000 2.115 1389 F HA -0.155 4.372 4.527 -0.000 0.000 0.300 1389 F C 1.808 177.621 175.800 0.022 0.000 1.092 1389 F CA 1.641 59.647 58.000 0.009 0.000 1.245 1389 F CB -0.983 37.994 39.000 -0.037 0.000 0.995 1389 F HN 0.216 nan 8.300 nan 0.000 0.481 1390 N N 0.373 118.626 118.700 -0.745 0.000 2.666 1390 N HA -0.085 4.654 4.740 -0.000 0.000 0.194 1390 N C 0.497 175.928 175.510 -0.133 0.000 1.220 1390 N CA 0.413 53.242 53.050 -0.368 0.000 0.928 1390 N CB -0.292 37.957 38.487 -0.397 0.000 0.997 1390 N HN 0.445 nan 8.380 nan 0.000 0.447 1391 R N -1.043 119.409 120.500 -0.079 0.000 2.629 1391 R HA 0.179 4.519 4.340 -0.000 0.000 0.408 1391 R C 0.236 176.534 176.300 -0.003 0.000 1.057 1391 R CA -0.204 55.874 56.100 -0.037 0.000 1.119 1391 R CB 0.571 30.853 30.300 -0.030 0.000 1.403 1391 R HN 0.149 nan 8.270 nan 0.000 0.576 1392 S N 0.086 115.798 115.700 0.020 0.000 2.552 1392 S HA 0.131 4.601 4.470 -0.000 0.000 0.271 1392 S C 0.829 175.433 174.600 0.008 0.000 1.168 1392 S CA -0.720 57.496 58.200 0.027 0.000 1.026 1392 S CB 0.483 63.713 63.200 0.049 0.000 1.120 1392 S HN 0.232 nan 8.310 nan 0.000 0.514 1393 N N 0.883 119.587 118.700 0.007 0.000 2.313 1393 N HA 0.097 4.837 4.740 -0.000 0.000 0.207 1393 N C 0.089 175.595 175.510 -0.006 0.000 1.141 1393 N CA 0.101 53.148 53.050 -0.006 0.000 0.830 1393 N CB -0.825 37.659 38.487 -0.004 0.000 1.008 1393 N HN 0.668 nan 8.380 nan 0.000 0.481 1394 T N -0.531 114.026 114.554 0.005 0.000 2.649 1394 T HA 0.201 4.551 4.350 -0.000 0.000 0.337 1394 T C 1.236 175.931 174.700 -0.009 0.000 1.070 1394 T CA -0.196 61.908 62.100 0.006 0.000 1.052 1394 T CB 0.290 69.173 68.868 0.025 0.000 0.994 1394 T HN 0.234 nan 8.240 nan 0.000 0.544 1395 G N -0.835 107.963 108.800 -0.005 0.000 2.614 1395 G HA2 0.405 4.365 3.960 -0.000 0.000 0.239 1395 G HA3 0.405 4.365 3.960 -0.000 0.000 0.239 1395 G C 1.121 175.996 174.900 -0.043 0.000 1.240 1395 G CA -0.377 44.716 45.100 -0.011 0.000 0.842 1395 G HN 0.962 nan 8.290 nan 0.000 0.584 1396 A N 1.401 124.162 122.820 -0.098 0.000 1.858 1396 A HA -0.048 4.272 4.320 -0.000 0.000 0.216 1396 A C 2.471 179.975 177.584 -0.134 0.000 1.190 1396 A CA 1.357 53.269 52.037 -0.209 0.000 0.617 1396 A CB -0.599 18.089 19.000 -0.521 0.000 0.827 1396 A HN 0.603 nan 8.150 nan 0.000 0.443 1397 L N -1.119 120.078 121.223 -0.044 0.000 2.051 1397 L HA -0.291 4.049 4.340 -0.000 0.000 0.214 1397 L C 2.862 179.738 176.870 0.010 0.000 1.076 1397 L CA 2.167 57.023 54.840 0.027 0.000 0.758 1397 L CB -0.410 41.712 42.059 0.105 0.000 0.890 1397 L HN 0.690 nan 8.230 nan 0.000 0.433 1398 M N -0.458 119.148 119.600 0.011 0.000 2.059 1398 M HA -0.271 4.209 4.480 -0.000 0.000 0.259 1398 M C 2.455 178.777 176.300 0.037 0.000 1.072 1398 M CA 1.858 57.171 55.300 0.021 0.000 1.117 1398 M CB -0.223 32.388 32.600 0.018 0.000 1.320 1398 M HN -0.007 nan 8.290 nan 0.000 0.408 1399 R N -0.079 120.434 120.500 0.022 0.000 2.117 1399 R HA -0.214 4.126 4.340 -0.000 0.000 0.243 1399 R C 2.602 178.924 176.300 0.035 0.000 1.143 1399 R CA 1.890 58.012 56.100 0.037 0.000 0.968 1399 R CB -0.965 29.324 30.300 -0.017 0.000 0.863 1399 R HN 0.818 nan 8.270 nan 0.000 0.444 1400 C N 0.360 119.649 119.300 -0.018 0.000 2.419 1400 C HA 0.015 4.475 4.460 -0.000 0.000 0.283 1400 C C 2.313 177.308 174.990 0.008 0.000 1.373 1400 C CA 0.528 59.522 59.018 -0.040 0.000 1.781 1400 C CB -1.053 26.639 27.740 -0.080 0.000 1.886 1400 C HN 0.445 nan 8.230 nan 0.000 0.520 1401 S N -1.308 114.426 115.700 0.057 0.000 2.881 1401 S HA 0.240 4.710 4.470 -0.000 0.000 0.228 1401 S C -0.216 174.505 174.600 0.203 0.000 0.965 1401 S CA -0.128 58.125 58.200 0.087 0.000 0.998 1401 S CB -0.966 62.276 63.200 0.069 0.000 0.795 1401 S HN 0.839 nan 8.310 nan 0.000 0.518 1402 F N 1.000 120.941 119.950 -0.014 0.000 2.749 1402 F HA 0.341 4.868 4.527 -0.000 0.000 0.339 1402 F C 0.226 176.003 175.800 -0.038 0.000 1.211 1402 F CA -0.740 57.262 58.000 0.003 0.000 1.099 1402 F CB 0.719 39.750 39.000 0.052 0.000 1.359 1402 F HN 0.066 nan 8.300 nan 0.000 0.549 1403 E N 2.612 122.454 120.200 -0.596 0.000 4.429 1403 E HA -0.335 4.015 4.350 -0.000 0.000 0.185 1403 E C 0.405 176.815 176.600 -0.316 0.000 1.272 1403 E CA 2.235 58.276 56.400 -0.597 0.000 2.340 1403 E CB -0.743 28.363 29.700 -0.989 0.000 1.837 1403 E HN 0.879 nan 8.360 nan 0.000 0.389 1404 E N 1.565 121.614 120.200 -0.251 0.000 2.496 1404 E HA 0.186 4.536 4.350 -0.000 0.000 0.200 1404 E C 0.887 177.397 176.600 -0.151 0.000 1.016 1404 E CA 0.560 56.856 56.400 -0.173 0.000 0.962 1404 E CB 0.197 29.807 29.700 -0.149 0.000 1.071 1404 E HN 0.325 nan 8.360 nan 0.000 0.457 1405 T N 0.545 115.013 114.554 -0.143 0.000 2.041 1405 T HA -0.363 3.986 4.350 -0.000 0.000 0.171 1405 T C 1.932 176.509 174.700 -0.205 0.000 1.787 1405 T CA 2.163 64.177 62.100 -0.143 0.000 0.997 1405 T CB -0.848 67.945 68.868 -0.125 0.000 0.822 1405 T HN 0.100 nan 8.240 nan 0.000 0.410 1406 V N 1.894 121.656 119.914 -0.254 0.000 2.287 1406 V HA -0.194 3.926 4.120 -0.000 0.000 0.248 1406 V C 2.678 178.462 176.094 -0.517 0.000 1.053 1406 V CA 2.377 64.404 62.300 -0.456 0.000 1.027 1406 V CB -0.950 30.584 31.823 -0.481 0.000 0.646 1406 V HN 0.428 nan 8.190 nan 0.000 0.447 1407 E N 0.178 120.226 120.200 -0.253 0.000 2.097 1407 E HA -0.207 4.143 4.350 -0.000 0.000 0.196 1407 E C 1.989 178.546 176.600 -0.071 0.000 1.000 1407 E CA 1.539 57.894 56.400 -0.075 0.000 0.804 1407 E CB -0.454 29.225 29.700 -0.035 0.000 0.740 1407 E HN 0.587 nan 8.360 nan 0.000 0.454 1408 I N 0.081 120.567 120.570 -0.140 0.000 2.202 1408 I HA -0.233 3.937 4.170 -0.000 0.000 0.242 1408 I C 2.098 178.097 176.117 -0.197 0.000 1.091 1408 I CA 0.885 62.096 61.300 -0.148 0.000 1.368 1408 I CB -0.260 37.647 38.000 -0.154 0.000 1.058 1408 I HN 0.094 nan 8.210 nan 0.000 0.410 1409 L N -0.361 120.713 121.223 -0.248 0.000 2.191 1409 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 1409 L C 2.454 179.279 176.870 -0.075 0.000 1.103 1409 L CA 1.392 56.072 54.840 -0.266 0.000 0.769 1409 L CB -0.559 41.369 42.059 -0.218 0.000 0.908 1409 L HN 0.206 nan 8.230 nan 0.000 0.438 1410 F N 0.518 120.460 119.950 -0.014 0.000 2.074 1410 F HA -0.218 4.309 4.527 -0.000 0.000 0.293 1410 F C 2.676 178.530 175.800 0.090 0.000 1.116 1410 F CA 0.775 58.852 58.000 0.128 0.000 1.212 1410 F CB -0.042 39.056 39.000 0.164 0.000 0.998 1410 F HN 0.035 nan 8.300 nan 0.000 0.471 1411 E N 1.051 121.361 120.200 0.184 0.000 2.267 1411 E HA -0.194 4.156 4.350 -0.000 0.000 0.197 1411 E C 1.808 178.311 176.600 -0.162 0.000 0.998 1411 E CA 1.124 57.493 56.400 -0.052 0.000 0.830 1411 E CB -0.195 29.455 29.700 -0.085 0.000 0.751 1411 E HN 0.330 nan 8.360 nan 0.000 0.491 1412 A N -0.095 122.619 122.820 -0.178 0.000 1.855 1412 A HA 0.011 4.330 4.320 -0.000 0.000 0.215 1412 A C 2.453 179.941 177.584 -0.159 0.000 1.191 1412 A CA 1.550 53.396 52.037 -0.318 0.000 0.613 1412 A CB -1.161 17.394 19.000 -0.742 0.000 0.829 1412 A HN 0.400 nan 8.150 nan 0.000 0.442 1413 G N -0.978 107.818 108.800 -0.008 0.000 2.448 1413 G HA2 0.156 4.115 3.960 -0.000 0.000 0.218 1413 G HA3 0.156 4.115 3.960 -0.000 0.000 0.218 1413 G C 1.536 176.393 174.900 -0.072 0.000 1.135 1413 G CA 1.093 46.247 45.100 0.090 0.000 0.784 1413 G HN 0.761 nan 8.290 nan 0.000 0.543 1414 A N 0.199 122.876 122.820 -0.237 0.000 2.066 1414 A HA 0.271 4.591 4.320 -0.000 0.000 0.218 1414 A C 2.099 179.349 177.584 -0.556 0.000 1.157 1414 A CA 1.628 53.350 52.037 -0.526 0.000 0.670 1414 A CB 0.064 18.545 19.000 -0.866 0.000 0.804 1414 A HN 0.216 nan 8.150 nan 0.000 0.453 1415 S N -1.139 114.320 115.700 -0.402 0.000 2.663 1415 S HA 0.483 4.953 4.470 -0.000 0.000 0.243 1415 S C 0.657 175.142 174.600 -0.192 0.000 1.009 1415 S CA 0.241 58.208 58.200 -0.388 0.000 0.988 1415 S CB 0.269 63.247 63.200 -0.369 0.000 0.896 1415 S HN 1.487 nan 8.310 nan 0.000 0.502 1416 A N 2.011 124.761 122.820 -0.116 0.000 2.364 1416 A HA -0.227 4.093 4.320 -0.000 0.000 0.288 1416 A C 0.323 177.870 177.584 -0.063 0.000 1.433 1416 A CA 0.774 52.786 52.037 -0.042 0.000 0.757 1416 A CB -1.620 17.401 19.000 0.035 0.000 1.098 1416 A HN 0.629 nan 8.150 nan 0.000 0.380 1417 E N -1.552 118.620 120.200 -0.046 0.000 2.428 1417 E HA 0.423 4.773 4.350 -0.000 0.000 0.257 1417 E C -0.120 176.494 176.600 0.023 0.000 1.197 1417 E CA -0.263 56.113 56.400 -0.039 0.000 0.974 1417 E CB 0.460 30.099 29.700 -0.101 0.000 0.976 1417 E HN 0.641 nan 8.360 nan 0.000 0.463 1418 L N 1.728 122.953 121.223 0.005 0.000 2.409 1418 L HA 0.303 4.642 4.340 -0.000 0.000 0.272 1418 L C -1.377 175.510 176.870 0.028 0.000 0.980 1418 L CA -0.363 54.475 54.840 -0.002 0.000 0.826 1418 L CB 1.836 43.861 42.059 -0.057 0.000 1.268 1418 L HN 0.376 nan 8.230 nan 0.000 0.407 1419 D N 2.256 122.692 120.400 0.060 0.000 2.256 1419 D HA 0.220 4.860 4.640 -0.000 0.000 0.240 1419 D C -0.105 176.205 176.300 0.016 0.000 1.062 1419 D CA -0.205 53.827 54.000 0.054 0.000 0.832 1419 D CB 1.834 42.706 40.800 0.119 0.000 1.135 1419 D HN 0.608 nan 8.370 nan 0.000 0.484 1420 D N 1.562 121.967 120.400 0.008 0.000 2.183 1420 D HA -0.038 4.602 4.640 -0.000 0.000 0.203 1420 D C 0.968 177.268 176.300 -0.000 0.000 0.969 1420 D CA 0.292 54.292 54.000 0.001 0.000 0.842 1420 D CB -0.221 40.581 40.800 0.003 0.000 0.957 1420 D HN 0.459 nan 8.370 nan 0.000 0.484 1421 C N 0.120 119.424 119.300 0.006 0.000 4.657 1421 C HA -0.114 4.346 4.460 -0.000 0.000 0.299 1421 C C 1.292 176.280 174.990 -0.003 0.000 1.259 1421 C CA -0.524 58.495 59.018 0.002 0.000 2.148 1421 C CB -2.554 25.182 27.740 -0.007 0.000 1.207 1421 C HN 0.423 nan 8.230 nan 0.000 0.764 1422 R N 0.375 120.875 120.500 0.001 0.000 2.334 1422 R HA 0.257 4.597 4.340 -0.000 0.000 0.216 1422 R C 1.196 177.494 176.300 -0.004 0.000 0.905 1422 R CA 0.686 56.787 56.100 0.002 0.000 1.064 1422 R CB 0.450 30.758 30.300 0.013 0.000 1.046 1422 R HN 0.611 nan 8.270 nan 0.000 0.508 1423 G N 0.223 109.019 108.800 -0.006 0.000 2.356 1423 G HA2 0.300 4.260 3.960 -0.000 0.000 0.298 1423 G HA3 0.300 4.260 3.960 -0.000 0.000 0.298 1423 G C 1.178 176.065 174.900 -0.022 0.000 1.145 1423 G CA -0.643 44.450 45.100 -0.012 0.000 0.850 1423 G HN -0.123 nan 8.290 nan 0.000 0.487 1424 V N 2.702 122.596 119.914 -0.034 0.000 2.233 1424 V HA -0.291 3.829 4.120 -0.000 0.000 0.252 1424 V C 2.973 179.047 176.094 -0.034 0.000 1.063 1424 V CA 2.665 64.939 62.300 -0.045 0.000 1.032 1424 V CB -1.199 30.591 31.823 -0.056 0.000 0.645 1424 V HN 0.680 nan 8.190 nan 0.000 0.446 1425 S N -0.409 115.276 115.700 -0.025 0.000 2.380 1425 S HA -0.259 4.211 4.470 -0.000 0.000 0.229 1425 S C 1.899 176.495 174.600 -0.006 0.000 1.043 1425 S CA 1.804 59.996 58.200 -0.013 0.000 1.038 1425 S CB -0.490 62.709 63.200 -0.001 0.000 0.872 1425 S HN 0.728 nan 8.310 nan 0.000 0.456 1426 E N 1.962 122.161 120.200 -0.002 0.000 2.048 1426 E HA -0.178 4.172 4.350 -0.000 0.000 0.202 1426 E C 1.829 178.425 176.600 -0.006 0.000 1.021 1426 E CA 1.111 57.513 56.400 0.005 0.000 0.825 1426 E CB -0.847 28.856 29.700 0.006 0.000 0.756 1426 E HN 0.577 nan 8.360 nan 0.000 0.454 1427 N N 0.811 119.501 118.700 -0.017 0.000 2.120 1427 N HA -0.116 4.624 4.740 -0.000 0.000 0.188 1427 N C 2.155 177.649 175.510 -0.026 0.000 1.024 1427 N CA 1.146 54.181 53.050 -0.025 0.000 0.852 1427 N CB -0.220 38.246 38.487 -0.035 0.000 1.003 1427 N HN -0.008 nan 8.380 nan 0.000 0.424 1428 V N 2.389 122.287 119.914 -0.026 0.000 2.282 1428 V HA -0.225 3.895 4.120 -0.000 0.000 0.249 1428 V C 2.318 178.401 176.094 -0.018 0.000 1.057 1428 V CA 1.454 63.738 62.300 -0.026 0.000 1.032 1428 V CB -0.414 31.393 31.823 -0.026 0.000 0.645 1428 V HN 0.255 nan 8.190 nan 0.000 0.447 1429 I N -0.807 119.756 120.570 -0.010 0.000 2.394 1429 I HA -0.218 3.952 4.170 -0.000 0.000 0.251 1429 I C 2.077 178.189 176.117 -0.008 0.000 1.136 1429 I CA 1.429 62.726 61.300 -0.004 0.000 1.425 1429 I CB -0.161 37.843 38.000 0.008 0.000 1.079 1429 I HN 0.275 nan 8.210 nan 0.000 0.425 1430 L N 0.035 121.250 121.223 -0.013 0.000 2.446 1430 L HA 0.183 4.523 4.340 -0.000 0.000 0.219 1430 L C 1.393 178.251 176.870 -0.021 0.000 1.116 1430 L CA 0.542 55.372 54.840 -0.018 0.000 0.844 1430 L CB -0.223 41.824 42.059 -0.020 0.000 0.970 1430 L HN 0.443 nan 8.230 nan 0.000 0.457 1431 G N 0.731 109.517 108.800 -0.023 0.000 2.204 1431 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.244 1431 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.244 1431 G C -0.108 174.775 174.900 -0.029 0.000 1.062 1431 G CA -0.189 44.896 45.100 -0.026 0.000 0.798 1431 G HN 0.423 nan 8.290 nan 0.000 0.496 1432 Q N -0.892 118.889 119.800 -0.032 0.000 2.387 1432 Q HA 0.627 4.966 4.340 -0.000 0.000 0.273 1432 Q C 0.437 176.411 176.000 -0.043 0.000 1.089 1432 Q CA -1.088 54.694 55.803 -0.035 0.000 0.824 1432 Q CB 1.808 30.527 28.738 -0.032 0.000 1.367 1432 Q HN 0.385 nan 8.270 nan 0.000 0.443 1433 M N 1.912 121.482 119.600 -0.049 0.000 2.303 1433 M HA 0.231 4.711 4.480 -0.000 0.000 0.350 1433 M C -0.667 175.589 176.300 -0.073 0.000 1.518 1433 M CA 0.040 55.301 55.300 -0.064 0.000 1.070 1433 M CB 0.301 32.859 32.600 -0.071 0.000 1.910 1433 M HN 0.796 nan 8.290 nan 0.000 0.458 1434 A N 7.306 130.078 122.820 -0.080 0.000 2.340 1434 A HA 0.532 4.852 4.320 -0.000 0.000 0.268 1434 A C -2.456 175.061 177.584 -0.112 0.000 1.100 1434 A CA -1.480 50.508 52.037 -0.082 0.000 0.803 1434 A CB -0.275 18.680 19.000 -0.076 0.000 1.043 1434 A HN 0.626 nan 8.150 nan 0.000 0.488 1435 P HA 0.280 nan 4.420 nan 0.000 0.263 1435 P C -0.957 176.243 177.300 -0.166 0.000 1.345 1435 P CA 1.060 64.078 63.100 -0.136 0.000 1.119 1435 P CB -0.277 31.369 31.700 -0.092 0.000 1.363 1436 I N 1.412 121.860 120.570 -0.203 0.000 2.731 1436 I HA 0.255 4.425 4.170 -0.000 0.000 0.289 1436 I C 1.199 177.188 176.117 -0.214 0.000 1.399 1436 I CA -0.602 60.581 61.300 -0.194 0.000 1.048 1436 I CB 2.064 39.975 38.000 -0.148 0.000 1.345 1436 I HN 0.455 nan 8.210 nan 0.000 0.425 1437 G N 3.953 112.633 108.800 -0.199 0.000 2.678 1437 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.362 1437 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.362 1437 G C 0.995 175.776 174.900 -0.199 0.000 1.169 1437 G CA 1.568 46.576 45.100 -0.153 0.000 0.933 1437 G HN 0.615 nan 8.290 nan 0.000 0.587 1438 T N 1.001 115.463 114.554 -0.153 0.000 2.795 1438 T HA -0.104 4.246 4.350 -0.000 0.000 0.266 1438 T C 1.992 176.382 174.700 -0.516 0.000 1.056 1438 T CA 2.359 64.340 62.100 -0.198 0.000 1.141 1438 T CB -0.495 68.309 68.868 -0.106 0.000 0.840 1438 T HN 1.385 nan 8.240 nan 0.000 0.493 1439 G N -0.378 108.157 108.800 -0.441 0.000 3.523 1439 G HA2 0.469 4.429 3.960 -0.000 0.000 0.270 1439 G HA3 0.469 4.429 3.960 -0.000 0.000 0.270 1439 G C 1.003 175.609 174.900 -0.489 0.000 1.134 1439 G CA 0.291 45.117 45.100 -0.458 0.000 0.825 1439 G HN 0.527 nan 8.290 nan 0.000 0.534 1440 A N 0.229 122.666 122.820 -0.639 0.000 2.278 1440 A HA 0.610 4.930 4.320 -0.000 0.000 0.212 1440 A C 0.296 177.840 177.584 -0.067 0.000 1.213 1440 A CA 0.076 51.922 52.037 -0.319 0.000 0.840 1440 A CB -0.494 18.360 19.000 -0.243 0.000 0.866 1440 A HN 0.664 nan 8.150 nan 0.000 0.489 1441 F N -4.050 115.960 119.950 0.099 0.000 2.817 1441 F HA 0.676 5.203 4.527 -0.000 0.000 0.317 1441 F C -1.340 174.495 175.800 0.057 0.000 1.168 1441 F CA -2.139 55.931 58.000 0.117 0.000 0.911 1441 F CB 0.299 39.403 39.000 0.174 0.000 1.337 1441 F HN -0.199 nan 8.300 nan 0.000 0.464 1442 D N 0.398 121.021 120.400 0.372 0.000 2.326 1442 D HA 0.691 5.331 4.640 -0.000 0.000 0.248 1442 D C -1.195 175.263 176.300 0.262 0.000 1.001 1442 D CA -0.266 53.877 54.000 0.239 0.000 0.961 1442 D CB 2.686 43.560 40.800 0.123 0.000 1.183 1442 D HN 0.442 nan 8.370 nan 0.000 0.502 1443 V N 2.023 122.042 119.914 0.174 0.000 2.483 1443 V HA 0.393 4.513 4.120 -0.000 0.000 0.297 1443 V C -0.286 175.851 176.094 0.072 0.000 1.027 1443 V CA -0.628 61.747 62.300 0.125 0.000 0.855 1443 V CB 1.516 33.425 31.823 0.143 0.000 0.995 1443 V HN 0.446 nan 8.190 nan 0.000 0.424 1444 M N 5.014 124.642 119.600 0.048 0.000 2.578 1444 M HA 0.667 5.147 4.480 -0.000 0.000 0.321 1444 M C -0.848 175.469 176.300 0.029 0.000 1.182 1444 M CA -0.418 54.902 55.300 0.034 0.000 0.965 1444 M CB 1.872 34.486 32.600 0.023 0.000 1.694 1444 M HN 0.482 nan 8.290 nan 0.000 0.461 1445 I N 1.151 121.737 120.570 0.026 0.000 2.304 1445 I HA 0.252 4.422 4.170 -0.000 0.000 0.291 1445 I C -0.212 175.914 176.117 0.014 0.000 1.018 1445 I CA -0.426 60.889 61.300 0.026 0.000 1.260 1445 I CB 0.185 38.199 38.000 0.025 0.000 1.390 1445 I HN 0.419 nan 8.210 nan 0.000 0.475 1446 D N 5.745 126.151 120.400 0.010 0.000 2.441 1446 D HA 0.016 4.656 4.640 -0.000 0.000 0.221 1446 D C 1.178 177.464 176.300 -0.025 0.000 1.156 1446 D CA -0.001 53.993 54.000 -0.011 0.000 0.896 1446 D CB 0.704 41.492 40.800 -0.020 0.000 1.028 1446 D HN 0.636 nan 8.370 nan 0.000 0.509 1447 E N 3.265 123.453 120.200 -0.020 0.000 2.187 1447 E HA -0.250 4.100 4.350 -0.000 0.000 0.199 1447 E C 0.731 177.301 176.600 -0.050 0.000 1.004 1447 E CA 1.228 57.613 56.400 -0.026 0.000 0.813 1447 E CB 0.409 30.098 29.700 -0.018 0.000 0.736 1447 E HN 0.646 nan 8.360 nan 0.000 0.468 1448 E N 0.116 120.278 120.200 -0.062 0.000 2.001 1448 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 1448 E C 2.185 178.690 176.600 -0.159 0.000 0.994 1448 E CA 1.467 57.814 56.400 -0.089 0.000 0.815 1448 E CB -0.207 29.448 29.700 -0.075 0.000 0.770 1448 E HN 0.298 nan 8.360 nan 0.000 0.453 1449 S N 1.295 116.876 115.700 -0.198 0.000 2.493 1449 S HA -0.148 4.322 4.470 -0.000 0.000 0.243 1449 S C 1.857 176.151 174.600 -0.510 0.000 0.991 1449 S CA 0.652 58.606 58.200 -0.411 0.000 0.957 1449 S CB -0.170 62.847 63.200 -0.305 0.000 0.756 1449 S HN 0.134 nan 8.310 nan 0.000 0.521 1450 L N 0.856 121.958 121.223 -0.201 0.000 2.552 1450 L HA 0.339 4.679 4.340 -0.000 0.000 0.227 1450 L C 1.705 178.541 176.870 -0.056 0.000 1.146 1450 L CA 0.706 55.507 54.840 -0.065 0.000 0.858 1450 L CB -0.109 41.949 42.059 -0.002 0.000 0.969 1450 L HN 0.230 nan 8.230 nan 0.000 0.451 1451 V N -1.540 118.301 119.914 -0.122 0.000 3.307 1451 V HA 0.010 4.130 4.120 -0.000 0.000 0.244 1451 V C 2.163 178.202 176.094 -0.092 0.000 1.196 1451 V CA 0.514 62.774 62.300 -0.067 0.000 1.132 1451 V CB 0.086 31.877 31.823 -0.055 0.000 0.875 1451 V HN 0.336 nan 8.190 nan 0.000 0.468 1452 K N 0.224 120.492 120.400 -0.220 0.000 2.442 1452 K HA -0.139 4.181 4.320 -0.000 0.000 0.200 1452 K C -0.213 176.325 176.600 -0.103 0.000 1.045 1452 K CA 1.168 57.315 56.287 -0.233 0.000 0.937 1452 K CB -0.094 32.161 32.500 -0.408 0.000 0.757 1452 K HN 0.564 nan 8.250 nan 0.000 0.474 1453 Y N 1.514 121.814 120.300 0.000 0.000 2.587 1453 Y HA 0.255 4.805 4.550 -0.000 0.000 0.328 1453 Y C -0.484 175.417 175.900 0.002 0.000 0.980 1453 Y CA -1.216 56.885 58.100 0.001 0.000 1.272 1453 Y CB 0.681 39.143 38.460 0.002 0.000 1.094 1453 Y HN -0.005 nan 8.280 nan 0.000 0.503 1454 M N 2.610 122.299 119.600 0.148 0.000 2.638 1454 M HA 0.264 4.743 4.480 -0.000 0.000 0.140 1454 M C -3.157 173.175 176.300 0.054 0.000 0.876 1454 M CA -1.177 54.172 55.300 0.082 0.000 0.677 1454 M CB -0.353 32.284 32.600 0.062 0.000 2.797 1454 M HN 0.263 nan 8.290 nan 0.000 0.339 1455 P HA 0.000 nan 4.420 nan 0.000 0.216 1455 P CA 0.000 63.117 63.100 0.029 0.000 0.800 1455 P CB 0.000 31.713 31.700 0.022 0.000 0.726