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 2ja8_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 VGSWKKDRXX XXXDEPELRV DATA SEQUENCE LSTEEILNIF KHISVKDFTS LGFNEVFSRP EWMILTCLPV PPPPVRPSIS DATA SEQUENCE FNESQRGEDD LTFKLADILK ANISLETLEH NGAPHHAIEE AESLLQFHVA DATA SEQUENCE TYMDNDIAGQ PQALQKSGRP VKSIRARLKG KEGRIRGNLM GKRVDFSART DATA SEQUENCE VISGDPNLEL DQVGVPKSIA KTLTYPEVVT PYNIDRLTQL VRNGPNEHPG DATA SEQUENCE AKYVIRDSGD RIDLRYSKRA GDIQLQYGWK VERHIMDNDP VLFNRQPSLH DATA SEQUENCE KMSMMAHRVK VIPYSTFRLN LSVTSPYNAD FDGDEMNLHV PQSEETRAEL DATA SEQUENCE SQLCAVPLQI VSPQSNKPCM GIVQDTLCGI RKLTLRDTFI ELDQVLNMLY DATA SEQUENCE WVPDWDGVIP TPAIIKPKPL WSGKQILSVA IPNGIHLQRF DEGTTLLSPK DATA SEQUENCE DNGMLIIDGQ IIFGVVEKKT VGSSNGGLIH VVTREKGPQV CAKLFGNIQK DATA SEQUENCE VVNFWLLHNG FSTGIGDTIA DGPTMREITE TIAEAKKKVL DVTKEAQANL DATA SEQUENCE LTAKHGMTLR ESFEDNVVRF LNEARDKAGR LAEVNLKDLN NVKQMVMAGS DATA SEQUENCE KGSFINIAQM SACVGQQSVE GKRIAFGFVD RTLPHFSKDD YSPESKGFVE DATA SEQUENCE NSYLRGLTPQ EFFFHAMGGR EGLIDTAVKT AETGYIQRRL VKALEDIMVH DATA SEQUENCE YDNTTRNSLG NVIQFIYGED GMDAAHIEKQ SLDTIGGSDA AFEKRYRVDL DATA SEQUENCE LNTDHTLDPS LLESGSEILG DLKLQVLLDE EYKQLVKDRK FLREVFVDGE DATA SEQUENCE ANWPLPVNIR RIIQNAQQTF HIDHTKPSDL TIKDIVLGVK DLQENLLVLR DATA SEQUENCE GKNEIIQNAQ RDAVTLFCCL LRSRLATRRV LQEYRLTKQA FDWVLSNIEA DATA SEQUENCE QFLRSVVHPG EMVGVLAAQS IGEPATQMTL XXXXXXXXXX KKVTSGVPRL DATA SEQUENCE KEILNVAKNM KTPSLTVYLE PGHAADQEQA KLIRSAIEHT TLKSVTIASE DATA SEQUENCE IYYDPDPRST VIPEDEEIIQ LHFSLXXXXX XXXXXQQSPW LLRLELDRAA DATA SEQUENCE MNDKDLTMGQ VGERIKQTFK NDLFVIWSED NDEKLIIRCR 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 0.000 176.093 176.094 -0.001 0.000 1.182 2 V CA 0.000 62.297 62.300 -0.006 0.000 1.235 2 V CB 0.000 31.820 31.823 -0.005 0.000 1.184 3 G N 3.628 112.426 108.800 -0.003 0.000 2.358 3 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.224 3 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.224 3 G C 0.242 175.141 174.900 -0.001 0.000 1.073 3 G CA 0.937 46.036 45.100 -0.002 0.000 0.635 3 G HN 1.930 nan 8.290 nan 0.000 0.509 4 Q N -0.741 119.060 119.800 0.002 0.000 3.197 4 Q HA -0.074 4.266 4.340 -0.000 0.000 0.025 4 Q C -0.147 175.864 176.000 0.019 0.000 1.701 4 Q CA 0.893 56.698 55.803 0.004 0.000 0.234 4 Q CB -0.755 27.977 28.738 -0.011 0.000 1.166 4 Q HN 1.429 nan 8.270 nan 0.000 0.321 5 Q N -0.134 119.687 119.800 0.034 0.000 2.344 5 Q HA -0.172 4.168 4.340 -0.000 0.000 0.269 5 Q C -1.253 174.806 176.000 0.098 0.000 1.142 5 Q CA 0.302 56.138 55.803 0.055 0.000 0.604 5 Q CB -0.472 28.281 28.738 0.026 0.000 0.724 5 Q HN 0.526 nan 8.270 nan 0.000 0.319 6 Y N 2.614 122.905 120.300 -0.014 0.000 2.702 6 Y HA 0.162 4.712 4.550 -0.000 0.000 0.336 6 Y C 0.104 176.000 175.900 -0.007 0.000 1.235 6 Y CA 0.932 59.026 58.100 -0.011 0.000 1.492 6 Y CB 0.679 39.133 38.460 -0.010 0.000 1.308 6 Y HN 0.408 nan 8.280 nan 0.000 0.589 7 S N 2.666 118.048 115.700 -0.530 0.000 2.647 7 S HA 0.323 4.793 4.470 -0.000 0.000 0.300 7 S C 0.238 174.350 174.600 -0.813 0.000 1.129 7 S CA -0.253 57.605 58.200 -0.569 0.000 1.029 7 S CB 1.078 64.148 63.200 -0.217 0.000 1.007 7 S HN 0.833 nan 8.310 nan 0.000 0.484 8 S N 1.921 117.189 115.700 -0.719 0.000 2.653 8 S HA 0.236 4.706 4.470 -0.000 0.000 0.233 8 S C 0.796 175.286 174.600 -0.184 0.000 0.970 8 S CA -0.032 57.914 58.200 -0.423 0.000 0.947 8 S CB -0.725 62.334 63.200 -0.235 0.000 0.771 8 S HN 1.235 nan 8.310 nan 0.000 0.538 9 A N 3.416 126.133 122.820 -0.172 0.000 2.328 9 A HA 0.610 4.930 4.320 -0.000 0.000 0.284 9 A C -1.597 175.964 177.584 -0.039 0.000 1.160 9 A CA -1.809 50.179 52.037 -0.081 0.000 0.818 9 A CB 0.038 18.995 19.000 -0.071 0.000 1.087 9 A HN 0.400 nan 8.150 nan 0.000 0.504 10 P HA 0.230 nan 4.420 nan 0.000 0.268 10 P C -0.751 176.550 177.300 0.003 0.000 1.208 10 P CA 0.002 63.105 63.100 0.007 0.000 0.777 10 P CB 0.644 32.347 31.700 0.005 0.000 0.875 11 L N 1.794 123.025 121.223 0.013 0.000 2.333 11 L HA 0.614 4.953 4.340 -0.000 0.000 0.280 11 L C -0.291 176.581 176.870 0.003 0.000 1.004 11 L CA -0.568 54.276 54.840 0.007 0.000 0.820 11 L CB 1.672 43.741 42.059 0.016 0.000 1.247 11 L HN 0.301 nan 8.230 nan 0.000 0.416 12 R N 1.627 122.123 120.500 -0.005 0.000 2.950 12 R HA 0.662 5.002 4.340 -0.000 0.000 0.253 12 R C -0.827 175.464 176.300 -0.015 0.000 1.168 12 R CA -0.547 55.547 56.100 -0.009 0.000 1.014 12 R CB 2.095 32.388 30.300 -0.012 0.000 1.228 12 R HN 0.782 nan 8.270 nan 0.000 0.487 13 T N -2.039 112.504 114.554 -0.018 0.000 2.895 13 T HA 0.406 4.756 4.350 -0.000 0.000 0.283 13 T C 0.188 174.869 174.700 -0.031 0.000 1.014 13 T CA -0.747 61.339 62.100 -0.023 0.000 1.037 13 T CB 1.458 70.313 68.868 -0.022 0.000 1.006 13 T HN 0.146 nan 8.240 nan 0.000 0.468 14 V N 3.993 123.884 119.914 -0.038 0.000 2.572 14 V HA 0.176 4.296 4.120 -0.000 0.000 0.291 14 V C 1.167 177.231 176.094 -0.050 0.000 1.039 14 V CA -0.094 62.175 62.300 -0.051 0.000 1.055 14 V CB 0.608 32.395 31.823 -0.061 0.000 0.969 14 V HN 0.916 nan 8.190 nan 0.000 0.482 15 K N 2.843 123.209 120.400 -0.055 0.000 2.329 15 K HA 0.304 4.624 4.320 -0.000 0.000 0.198 15 K C 0.262 176.824 176.600 -0.064 0.000 1.085 15 K CA 0.404 56.662 56.287 -0.049 0.000 0.961 15 K CB 0.909 33.386 32.500 -0.038 0.000 0.971 15 K HN 0.738 nan 8.250 nan 0.000 0.502 16 E N 0.561 120.708 120.200 -0.089 0.000 2.393 16 E HA 0.400 4.750 4.350 -0.000 0.000 0.273 16 E C -1.291 175.193 176.600 -0.193 0.000 0.918 16 E CA -0.809 55.518 56.400 -0.121 0.000 0.773 16 E CB 3.066 32.703 29.700 -0.106 0.000 1.275 16 E HN -0.283 nan 8.360 nan 0.000 0.451 17 V N 2.337 122.082 119.914 -0.281 0.000 2.349 17 V HA 0.169 4.288 4.120 -0.000 0.000 0.284 17 V C -0.619 175.089 176.094 -0.643 0.000 1.014 17 V CA -0.784 61.228 62.300 -0.479 0.000 0.826 17 V CB 1.391 32.872 31.823 -0.570 0.000 1.009 17 V HN 0.548 nan 8.190 nan 0.000 0.431 18 Q N 4.165 123.621 119.800 -0.574 0.000 2.377 18 Q HA 0.432 4.772 4.340 -0.000 0.000 0.249 18 Q C -0.728 174.918 176.000 -0.591 0.000 1.005 18 Q CA -0.086 55.380 55.803 -0.561 0.000 0.912 18 Q CB 0.976 29.340 28.738 -0.622 0.000 1.223 18 Q HN 0.628 nan 8.270 nan 0.000 0.459 19 F N 0.885 120.706 119.950 -0.214 0.000 2.456 19 F HA 0.487 5.014 4.527 -0.000 0.000 0.358 19 F C 1.284 176.976 175.800 -0.181 0.000 1.095 19 F CA 0.001 57.896 58.000 -0.175 0.000 1.216 19 F CB 1.266 40.216 39.000 -0.083 0.000 1.125 19 F HN 0.504 nan 8.300 nan 0.000 0.549 20 G N 3.092 111.906 108.800 0.023 0.000 2.911 20 G HA2 0.749 4.709 3.960 -0.000 0.000 0.299 20 G HA3 0.749 4.709 3.960 -0.000 0.000 0.299 20 G C -1.883 172.971 174.900 -0.077 0.000 1.283 20 G CA -0.876 44.196 45.100 -0.046 0.000 0.805 20 G HN 0.464 nan 8.290 nan 0.000 0.548 21 L N -0.090 121.036 121.223 -0.161 0.000 2.431 21 L HA 0.466 4.806 4.340 -0.000 0.000 0.266 21 L C -0.998 175.608 176.870 -0.441 0.000 0.978 21 L CA -0.622 54.126 54.840 -0.153 0.000 0.822 21 L CB 2.694 44.802 42.059 0.082 0.000 1.310 21 L HN 0.448 nan 8.230 nan 0.000 0.409 22 F N 1.444 121.197 119.950 -0.329 0.000 2.538 22 F HA 0.082 4.609 4.527 -0.000 0.000 0.371 22 F C 1.066 176.492 175.800 -0.625 0.000 1.087 22 F CA 0.059 57.813 58.000 -0.411 0.000 1.250 22 F CB 1.172 40.031 39.000 -0.235 0.000 1.110 22 F HN 0.484 nan 8.300 nan 0.000 0.570 23 S N 6.038 121.439 115.700 -0.498 0.000 2.452 23 S HA 0.252 4.722 4.470 -0.000 0.000 0.284 23 S C -1.581 173.063 174.600 0.073 0.000 1.171 23 S CA -1.458 56.478 58.200 -0.441 0.000 1.064 23 S CB 1.425 64.525 63.200 -0.167 0.000 0.967 23 S HN 0.432 nan 8.310 nan 0.000 0.484 24 P HA -0.269 nan 4.420 nan 0.000 0.222 24 P C 0.918 178.287 177.300 0.116 0.000 1.157 24 P CA 1.762 64.953 63.100 0.150 0.000 0.905 24 P CB 0.083 31.897 31.700 0.190 0.000 0.792 25 E N -0.079 120.216 120.200 0.159 0.000 2.085 25 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 25 E C 2.249 178.892 176.600 0.072 0.000 0.994 25 E CA 1.535 58.005 56.400 0.117 0.000 0.801 25 E CB -0.713 29.077 29.700 0.150 0.000 0.743 25 E HN 0.516 nan 8.360 nan 0.000 0.453 26 E N 0.407 120.658 120.200 0.085 0.000 2.017 26 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 26 E C 2.036 178.638 176.600 0.004 0.000 0.997 26 E CA 1.482 57.930 56.400 0.080 0.000 0.804 26 E CB -0.062 29.730 29.700 0.154 0.000 0.757 26 E HN 0.053 nan 8.360 nan 0.000 0.448 27 V N 1.562 121.433 119.914 -0.072 0.000 2.311 27 V HA -0.392 3.728 4.120 -0.000 0.000 0.256 27 V C 2.529 178.501 176.094 -0.202 0.000 1.077 27 V CA 2.534 64.658 62.300 -0.293 0.000 1.067 27 V CB -0.708 30.955 31.823 -0.267 0.000 0.659 27 V HN 0.325 nan 8.190 nan 0.000 0.451 28 R N -0.219 120.197 120.500 -0.141 0.000 2.070 28 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 28 R C 2.530 178.690 176.300 -0.233 0.000 1.138 28 R CA 1.485 57.426 56.100 -0.265 0.000 0.936 28 R CB -0.816 29.415 30.300 -0.115 0.000 0.839 28 R HN 0.537 nan 8.270 nan 0.000 0.429 29 A N 1.745 124.503 122.820 -0.104 0.000 1.884 29 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 29 A C 2.231 179.776 177.584 -0.065 0.000 1.197 29 A CA 1.645 53.645 52.037 -0.062 0.000 0.637 29 A CB -0.762 18.231 19.000 -0.011 0.000 0.827 29 A HN 0.235 nan 8.150 nan 0.000 0.450 30 I N -0.431 120.102 120.570 -0.061 0.000 2.127 30 I HA -0.175 3.995 4.170 -0.000 0.000 0.241 30 I C 1.747 177.850 176.117 -0.024 0.000 1.075 30 I CA 1.011 62.292 61.300 -0.033 0.000 1.334 30 I CB -0.544 37.426 38.000 -0.050 0.000 1.040 30 I HN 0.389 nan 8.210 nan 0.000 0.405 31 S N 0.122 115.776 115.700 -0.078 0.000 2.550 31 S HA -0.024 4.445 4.470 -0.000 0.000 0.285 31 S C 0.591 175.179 174.600 -0.021 0.000 1.326 31 S CA 0.374 58.554 58.200 -0.034 0.000 1.037 31 S CB 0.877 63.985 63.200 -0.153 0.000 0.838 31 S HN 0.275 nan 8.310 nan 0.000 0.519 32 V N 0.958 120.900 119.914 0.045 0.000 3.199 32 V HA 0.788 4.908 4.120 -0.000 0.000 0.331 32 V C -0.080 176.047 176.094 0.054 0.000 1.446 32 V CA 0.261 62.578 62.300 0.028 0.000 1.120 32 V CB -0.217 31.612 31.823 0.010 0.000 1.051 32 V HN 0.996 nan 8.190 nan 0.000 0.495 33 A N 0.280 123.167 122.820 0.113 0.000 2.437 33 A HA 0.811 5.131 4.320 -0.000 0.000 0.293 33 A C 0.352 178.076 177.584 0.233 0.000 1.038 33 A CA -0.493 51.622 52.037 0.131 0.000 0.708 33 A CB 1.910 20.963 19.000 0.088 0.000 1.251 33 A HN 0.041 nan 8.150 nan 0.000 0.409 34 K N 1.283 121.782 120.400 0.166 0.000 2.026 34 K HA 0.117 4.437 4.320 -0.000 0.000 0.208 34 K C 0.512 177.099 176.600 -0.021 0.000 1.048 34 K CA 1.275 57.637 56.287 0.125 0.000 0.929 34 K CB -0.468 32.098 32.500 0.109 0.000 0.713 34 K HN 0.871 nan 8.250 nan 0.000 0.439 35 I N 0.953 121.547 120.570 0.039 0.000 7.356 35 I HA -0.378 3.792 4.170 -0.000 0.000 0.126 35 I C 0.514 176.654 176.117 0.038 0.000 1.829 35 I CA 0.162 61.481 61.300 0.031 0.000 2.068 35 I CB -0.562 37.428 38.000 -0.017 0.000 3.620 35 I HN 0.241 nan 8.210 nan 0.000 0.179 36 R N 2.013 122.616 120.500 0.172 0.000 2.167 36 R HA 0.243 4.583 4.340 -0.000 0.000 0.201 36 R C 0.280 176.625 176.300 0.075 0.000 1.024 36 R CA 0.610 56.773 56.100 0.105 0.000 1.053 36 R CB 0.255 30.616 30.300 0.101 0.000 0.987 36 R HN 0.221 nan 8.270 nan 0.000 0.493 37 F N 1.843 121.773 119.950 -0.033 0.000 2.375 37 F HA 0.256 4.783 4.527 -0.000 0.000 0.333 37 F C -1.306 174.476 175.800 -0.030 0.000 1.104 37 F CA -2.797 55.187 58.000 -0.027 0.000 1.149 37 F CB 0.666 39.653 39.000 -0.021 0.000 1.190 37 F HN -0.119 nan 8.300 nan 0.000 0.533 38 P HA 0.045 nan 4.420 nan 0.000 0.252 38 P C -0.314 177.027 177.300 0.068 0.000 1.218 38 P CA 0.390 63.529 63.100 0.065 0.000 0.807 38 P CB 0.448 32.158 31.700 0.018 0.000 1.072 39 E N -0.216 120.046 120.200 0.103 0.000 2.435 39 E HA 0.086 4.436 4.350 -0.000 0.000 0.256 39 E C 0.752 177.383 176.600 0.051 0.000 1.245 39 E CA 0.278 56.721 56.400 0.071 0.000 0.989 39 E CB 0.285 30.039 29.700 0.091 0.000 0.983 39 E HN -0.061 nan 8.360 nan 0.000 0.480 40 T N -0.097 114.479 114.554 0.037 0.000 2.990 40 T HA 0.086 4.436 4.350 -0.000 0.000 0.237 40 T C 1.149 175.847 174.700 -0.004 0.000 1.009 40 T CA 0.852 62.967 62.100 0.025 0.000 1.195 40 T CB 0.179 69.072 68.868 0.042 0.000 0.885 40 T HN 0.379 nan 8.240 nan 0.000 0.424 41 M N -0.458 119.139 119.600 -0.006 0.000 2.036 41 M HA 0.321 4.801 4.480 -0.000 0.000 0.402 41 M C -1.198 175.089 176.300 -0.023 0.000 2.195 41 M CA -0.649 54.636 55.300 -0.025 0.000 1.457 41 M CB 0.311 32.898 32.600 -0.021 0.000 2.935 41 M HN -0.246 nan 8.290 nan 0.000 0.901 42 D N 3.670 124.061 120.400 -0.015 0.000 3.651 42 D HA -0.135 4.505 4.640 -0.000 0.000 0.191 42 D C -0.665 175.626 176.300 -0.014 0.000 1.196 42 D CA 0.850 54.844 54.000 -0.010 0.000 0.897 42 D CB -0.373 40.428 40.800 0.002 0.000 0.872 42 D HN 0.474 nan 8.370 nan 0.000 0.441 43 E N 0.645 120.830 120.200 -0.025 0.000 3.079 43 E HA 0.036 4.386 4.350 -0.000 0.000 0.267 43 E C 0.123 176.716 176.600 -0.011 0.000 1.509 43 E CA 0.034 56.416 56.400 -0.030 0.000 1.630 43 E CB -0.226 29.451 29.700 -0.038 0.000 1.373 43 E HN 0.332 nan 8.360 nan 0.000 0.439 44 T N 0.462 115.015 114.554 -0.002 0.000 4.460 44 T HA -0.167 4.183 4.350 -0.000 0.000 0.338 44 T C 0.487 175.189 174.700 0.003 0.000 0.761 44 T CA 0.467 62.570 62.100 0.005 0.000 2.009 44 T CB -1.552 67.319 68.868 0.006 0.000 1.894 44 T HN 0.617 nan 8.240 nan 0.000 0.982 45 Q N -2.205 117.596 119.800 0.003 0.000 2.608 45 Q HA -0.179 4.161 4.340 -0.000 0.000 0.154 45 Q C 0.251 176.250 176.000 -0.001 0.000 1.090 45 Q CA 1.862 57.667 55.803 0.003 0.000 1.183 45 Q CB -1.803 26.939 28.738 0.005 0.000 1.087 45 Q HN 0.724 nan 8.270 nan 0.000 1.015 46 T N 2.879 117.430 114.554 -0.004 0.000 2.792 46 T HA 0.092 4.442 4.350 -0.000 0.000 0.286 46 T C 0.256 174.949 174.700 -0.012 0.000 0.970 46 T CA 0.334 62.429 62.100 -0.008 0.000 1.187 46 T CB 0.167 69.028 68.868 -0.011 0.000 0.915 46 T HN 0.105 nan 8.240 nan 0.000 0.529 47 R N 2.236 122.730 120.500 -0.010 0.000 2.491 47 R HA 0.527 4.867 4.340 -0.000 0.000 0.283 47 R C 0.558 176.847 176.300 -0.020 0.000 1.072 47 R CA -0.076 56.016 56.100 -0.013 0.000 1.048 47 R CB 0.497 30.791 30.300 -0.010 0.000 0.983 47 R HN 0.830 nan 8.270 nan 0.000 0.450 48 A N 2.418 125.224 122.820 -0.025 0.000 5.135 48 A HA 0.266 4.586 4.320 -0.000 0.000 0.139 48 A C -1.520 176.042 177.584 -0.037 0.000 1.111 48 A CA -0.785 51.233 52.037 -0.031 0.000 1.215 48 A CB 0.672 19.651 19.000 -0.034 0.000 1.926 48 A HN 0.523 nan 8.150 nan 0.000 0.927 49 K N 0.208 120.579 120.400 -0.048 0.000 2.565 49 K HA 0.609 4.929 4.320 -0.000 0.000 0.251 49 K C -1.381 175.166 176.600 -0.090 0.000 0.956 49 K CA -0.384 55.868 56.287 -0.058 0.000 0.809 49 K CB 2.159 34.629 32.500 -0.050 0.000 1.267 49 K HN 0.554 nan 8.250 nan 0.000 0.438 50 I N 0.970 121.467 120.570 -0.122 0.000 2.720 50 I HA 0.071 4.241 4.170 -0.000 0.000 0.287 50 I C 1.518 177.491 176.117 -0.240 0.000 1.090 50 I CA -0.021 61.150 61.300 -0.215 0.000 1.384 50 I CB 0.939 38.753 38.000 -0.310 0.000 1.420 50 I HN 0.891 nan 8.210 nan 0.000 0.575 51 G N 3.714 112.337 108.800 -0.295 0.000 3.337 51 G HA2 0.135 4.095 3.960 -0.000 0.000 0.226 51 G HA3 0.135 4.095 3.960 -0.000 0.000 0.226 51 G C 0.820 175.554 174.900 -0.276 0.000 1.295 51 G CA 0.421 45.387 45.100 -0.224 0.000 1.427 51 G HN 0.941 nan 8.290 nan 0.000 0.535 52 G N -0.217 108.399 108.800 -0.307 0.000 2.651 52 G HA2 0.394 4.354 3.960 -0.000 0.000 0.226 52 G HA3 0.394 4.354 3.960 -0.000 0.000 0.226 52 G C 0.458 175.366 174.900 0.013 0.000 1.542 52 G CA -0.162 44.856 45.100 -0.136 0.000 0.868 52 G HN 0.389 nan 8.290 nan 0.000 0.588 53 L N 0.343 121.568 121.223 0.004 0.000 2.421 53 L HA 0.374 4.714 4.340 -0.000 0.000 0.267 53 L C -0.149 176.711 176.870 -0.016 0.000 1.036 53 L CA -0.739 54.106 54.840 0.008 0.000 0.829 53 L CB 0.992 43.064 42.059 0.021 0.000 1.437 53 L HN 0.690 nan 8.230 nan 0.000 0.488 54 N N 0.953 119.642 118.700 -0.017 0.000 1.982 54 N HA -0.247 4.493 4.740 -0.000 0.000 0.354 54 N C -0.611 174.882 175.510 -0.028 0.000 1.170 54 N CA 1.106 54.140 53.050 -0.026 0.000 0.800 54 N CB -0.609 37.861 38.487 -0.029 0.000 1.027 54 N HN 0.733 nan 8.380 nan 0.000 0.549 55 D N -0.041 120.346 120.400 -0.021 0.000 2.845 55 D HA -0.072 4.568 4.640 -0.000 0.000 0.247 55 D C -2.328 173.953 176.300 -0.031 0.000 1.062 55 D CA 0.268 54.257 54.000 -0.019 0.000 0.774 55 D CB -0.583 40.204 40.800 -0.022 0.000 1.064 55 D HN 0.574 nan 8.370 nan 0.000 0.433 56 P HA 0.333 nan 4.420 nan 0.000 0.258 56 P C 0.333 177.621 177.300 -0.019 0.000 1.416 56 P CA 0.179 63.257 63.100 -0.037 0.000 0.927 56 P CB 0.474 32.163 31.700 -0.018 0.000 1.444 57 R N -4.598 115.893 120.500 -0.015 0.000 2.109 57 R HA -0.005 4.335 4.340 -0.000 0.000 0.065 57 R C 0.320 176.615 176.300 -0.008 0.000 0.638 57 R CA -0.111 55.978 56.100 -0.019 0.000 2.173 57 R CB -1.070 29.219 30.300 -0.018 0.000 0.848 57 R HN 0.054 nan 8.270 nan 0.000 0.562 58 L N 1.324 122.560 121.223 0.021 0.000 2.367 58 L HA 0.435 4.775 4.340 -0.000 0.000 0.215 58 L C 1.338 178.262 176.870 0.089 0.000 1.197 58 L CA 1.250 56.133 54.840 0.071 0.000 0.836 58 L CB -0.350 41.735 42.059 0.043 0.000 1.242 58 L HN 0.208 nan 8.230 nan 0.000 0.553 59 G N 0.107 108.986 108.800 0.132 0.000 2.608 59 G HA2 0.307 4.267 3.960 -0.000 0.000 0.291 59 G HA3 0.307 4.267 3.960 -0.000 0.000 0.291 59 G C -0.208 174.712 174.900 0.033 0.000 1.306 59 G CA 0.386 45.545 45.100 0.099 0.000 1.085 59 G HN 1.155 nan 8.290 nan 0.000 0.619 60 S N -2.055 113.653 115.700 0.014 0.000 2.998 60 S HA 0.808 5.278 4.470 -0.000 0.000 0.323 60 S C -0.075 174.514 174.600 -0.019 0.000 1.141 60 S CA -0.449 57.748 58.200 -0.005 0.000 0.873 60 S CB 1.313 64.512 63.200 -0.002 0.000 1.315 60 S HN 0.673 nan 8.310 nan 0.000 0.637 61 I N -1.434 119.122 120.570 -0.023 0.000 4.117 61 I HA 0.384 4.553 4.170 -0.000 0.000 0.258 61 I C -0.572 175.529 176.117 -0.027 0.000 1.024 61 I CA -0.810 60.471 61.300 -0.031 0.000 1.482 61 I CB 0.023 37.999 38.000 -0.040 0.000 1.147 61 I HN 0.696 nan 8.210 nan 0.000 0.382 62 D N 2.134 122.515 120.400 -0.031 0.000 2.859 62 D HA -0.219 4.421 4.640 -0.000 0.000 0.225 62 D C -0.192 176.096 176.300 -0.020 0.000 1.168 62 D CA 1.093 55.077 54.000 -0.026 0.000 0.665 62 D CB -0.339 40.447 40.800 -0.024 0.000 1.059 62 D HN 0.466 nan 8.370 nan 0.000 0.418 63 R N -0.726 119.763 120.500 -0.019 0.000 3.127 63 R HA -0.193 4.147 4.340 -0.000 0.000 0.247 63 R C -0.759 175.534 176.300 -0.011 0.000 0.896 63 R CA 0.624 56.716 56.100 -0.014 0.000 0.624 63 R CB -1.555 28.737 30.300 -0.012 0.000 1.154 63 R HN 0.240 nan 8.270 nan 0.000 0.474 64 N N 1.452 120.145 118.700 -0.011 0.000 2.549 64 N HA 0.175 4.915 4.740 -0.000 0.000 0.281 64 N C 1.324 176.831 175.510 -0.006 0.000 1.084 64 N CA -0.568 52.476 53.050 -0.009 0.000 0.862 64 N CB 1.166 39.646 38.487 -0.012 0.000 1.333 64 N HN 0.040 nan 8.380 nan 0.000 0.523 65 L N 1.320 122.540 121.223 -0.005 0.000 2.274 65 L HA -0.359 3.981 4.340 -0.000 0.000 0.248 65 L C 0.577 177.447 176.870 0.000 0.000 1.118 65 L CA 1.693 56.532 54.840 -0.002 0.000 0.837 65 L CB -0.773 41.283 42.059 -0.004 0.000 0.973 65 L HN 0.524 nan 8.230 nan 0.000 0.435 66 K N -0.342 120.055 120.400 -0.005 0.000 2.382 66 K HA -0.235 4.085 4.320 -0.000 0.000 0.244 66 K C -0.153 176.447 176.600 0.000 0.000 1.068 66 K CA 0.582 56.864 56.287 -0.008 0.000 1.150 66 K CB -0.407 32.084 32.500 -0.014 0.000 0.726 66 K HN 0.458 nan 8.250 nan 0.000 0.486 67 c N 3.500 122.098 118.600 -0.004 0.000 3.177 67 c HA 0.104 4.674 4.570 -0.000 0.000 0.264 67 c C -0.646 173.400 174.090 -0.074 0.000 2.151 67 c CA -0.270 56.067 56.329 0.013 0.000 1.254 67 c CB -0.894 41.668 42.510 0.087 0.000 2.264 67 c HN 1.040 nan 8.230 nan 0.000 0.571 68 Q N 0.087 119.845 119.800 -0.070 0.000 2.418 68 Q HA -0.158 4.182 4.340 -0.000 0.000 0.293 68 Q C 0.876 176.830 176.000 -0.076 0.000 1.398 68 Q CA 0.782 56.529 55.803 -0.094 0.000 0.720 68 Q CB -1.862 26.773 28.738 -0.172 0.000 1.100 68 Q HN 0.720 nan 8.270 nan 0.000 0.381 69 T N -3.059 111.467 114.554 -0.047 0.000 10.649 69 T HA -0.432 3.918 4.350 -0.000 0.000 0.405 69 T C 1.438 176.121 174.700 -0.030 0.000 1.545 69 T CA 1.840 63.920 62.100 -0.034 0.000 2.508 69 T CB -1.760 67.088 68.868 -0.033 0.000 2.850 69 T HN 0.941 nan 8.240 nan 0.000 1.062 70 C N 3.182 122.455 119.300 -0.044 0.000 2.380 70 C HA -0.172 4.287 4.460 -0.000 0.000 0.302 70 C C 2.086 177.077 174.990 0.002 0.000 1.361 70 C CA 1.985 60.988 59.018 -0.026 0.000 1.819 70 C CB -2.125 25.591 27.740 -0.039 0.000 1.868 70 C HN 0.926 nan 8.230 nan 0.000 0.547 71 Q N -0.526 119.273 119.800 -0.002 0.000 2.163 71 Q HA -0.430 3.910 4.340 -0.000 0.000 0.450 71 Q C 0.854 176.863 176.000 0.015 0.000 0.743 71 Q CA 2.210 58.016 55.803 0.004 0.000 0.858 71 Q CB -1.288 27.449 28.738 -0.002 0.000 3.440 71 Q HN 0.522 nan 8.270 nan 0.000 0.898 72 E N -1.350 118.855 120.200 0.009 0.000 5.003 72 E HA -0.294 4.056 4.350 -0.000 0.000 0.166 72 E C 0.860 177.466 176.600 0.009 0.000 1.244 72 E CA 2.794 59.200 56.400 0.010 0.000 2.281 72 E CB -2.068 27.642 29.700 0.018 0.000 1.825 72 E HN 1.854 nan 8.360 nan 0.000 0.420 73 G N 1.106 109.915 108.800 0.015 0.000 2.778 73 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.686 73 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.686 73 G C 0.796 175.699 174.900 0.005 0.000 1.309 73 G CA 1.214 46.320 45.100 0.010 0.000 0.904 73 G HN 0.293 nan 8.290 nan 0.000 0.593 74 M N 0.111 119.712 119.600 0.002 0.000 4.152 74 M HA -0.376 4.104 4.480 -0.000 0.000 0.292 74 M C 1.442 177.737 176.300 -0.008 0.000 0.416 74 M CA 2.566 57.862 55.300 -0.007 0.000 0.870 74 M CB -1.043 31.550 32.600 -0.012 0.000 1.666 74 M HN 0.901 nan 8.290 nan 0.000 0.557 75 N N 1.247 119.942 118.700 -0.008 0.000 2.399 75 N HA 0.101 4.840 4.740 -0.000 0.000 0.259 75 N C 0.169 175.677 175.510 -0.004 0.000 1.160 75 N CA 1.352 54.397 53.050 -0.008 0.000 0.946 75 N CB 1.217 39.699 38.487 -0.009 0.000 1.156 75 N HN 0.557 nan 8.380 nan 0.000 0.489 76 E N 1.897 122.094 120.200 -0.005 0.000 3.376 76 E HA -0.165 4.184 4.350 -0.000 0.000 0.142 76 E C -0.836 175.766 176.600 0.004 0.000 0.601 76 E CA 0.153 56.553 56.400 0.000 0.000 2.970 76 E CB -1.441 28.262 29.700 0.005 0.000 1.416 76 E HN 0.450 nan 8.360 nan 0.000 0.768 77 c N 5.511 124.119 118.600 0.013 0.000 2.218 77 c HA 0.575 5.145 4.570 -0.000 0.000 0.353 77 c C -1.515 172.542 174.090 -0.055 0.000 1.070 77 c CA -1.357 54.990 56.329 0.030 0.000 1.497 77 c CB -0.853 41.713 42.510 0.094 0.000 1.951 77 c HN 0.344 nan 8.230 nan 0.000 0.493 78 P HA 0.215 nan 4.420 nan 0.000 0.280 78 P C 0.497 177.611 177.300 -0.310 0.000 1.278 78 P CA 0.325 63.339 63.100 -0.143 0.000 0.787 78 P CB 0.493 32.131 31.700 -0.103 0.000 1.163 79 G N -0.923 107.727 108.800 -0.250 0.000 2.634 79 G HA2 0.205 4.164 3.960 -0.000 0.000 0.255 79 G HA3 0.205 4.164 3.960 -0.000 0.000 0.255 79 G C -0.483 174.120 174.900 -0.494 0.000 1.205 79 G CA -0.272 44.639 45.100 -0.314 0.000 0.884 79 G HN 0.600 nan 8.290 nan 0.000 0.549 80 H N 0.644 119.733 119.070 0.032 0.000 2.791 80 H HA 0.209 4.765 4.556 -0.000 0.000 0.272 80 H C -0.367 175.023 175.328 0.104 0.000 1.188 80 H CA -0.798 55.307 56.048 0.095 0.000 1.436 80 H CB 0.439 30.230 29.762 0.049 0.000 1.467 80 H HN 0.249 nan 8.280 nan 0.000 0.500 81 F N 1.396 121.381 119.950 0.057 0.000 2.647 81 F HA 0.132 4.659 4.527 -0.000 0.000 0.363 81 F C 1.582 177.404 175.800 0.036 0.000 1.130 81 F CA 1.287 59.301 58.000 0.024 0.000 1.351 81 F CB 0.568 39.551 39.000 -0.028 0.000 1.026 81 F HN 0.522 nan 8.300 nan 0.000 0.607 82 G N 0.868 109.761 108.800 0.155 0.000 2.816 82 G HA2 0.650 4.610 3.960 -0.000 0.000 0.288 82 G HA3 0.650 4.610 3.960 -0.000 0.000 0.288 82 G C -1.545 173.492 174.900 0.229 0.000 1.334 82 G CA -0.692 44.507 45.100 0.165 0.000 0.978 82 G HN 0.870 nan 8.290 nan 0.000 0.493 83 H N -2.502 116.581 119.070 0.023 0.000 2.960 83 H HA 0.812 5.368 4.556 -0.000 0.000 0.303 83 H C -1.394 173.937 175.328 0.005 0.000 1.412 83 H CA -1.220 54.833 56.048 0.008 0.000 1.227 83 H CB 2.523 32.281 29.762 -0.006 0.000 1.912 83 H HN 0.561 nan 8.280 nan 0.000 0.583 84 I N 1.898 122.318 120.570 -0.251 0.000 2.612 84 I HA 0.045 4.215 4.170 -0.000 0.000 0.273 84 I C -1.427 174.585 176.117 -0.176 0.000 1.266 84 I CA -0.538 60.590 61.300 -0.286 0.000 1.125 84 I CB 1.110 39.028 38.000 -0.137 0.000 1.382 84 I HN 0.690 nan 8.210 nan 0.000 0.463 85 D N 8.340 128.612 120.400 -0.212 0.000 2.402 85 D HA 0.121 4.761 4.640 -0.000 0.000 0.268 85 D C 0.665 176.943 176.300 -0.035 0.000 1.294 85 D CA 0.469 54.435 54.000 -0.056 0.000 0.945 85 D CB 0.912 41.696 40.800 -0.027 0.000 1.112 85 D HN 0.423 nan 8.370 nan 0.000 0.517 86 L N 1.148 122.367 121.223 -0.007 0.000 2.394 86 L HA 0.050 4.390 4.340 -0.000 0.000 0.229 86 L C 1.817 178.688 176.870 0.003 0.000 1.225 86 L CA -0.273 54.566 54.840 -0.002 0.000 0.829 86 L CB 0.103 42.170 42.059 0.013 0.000 1.195 86 L HN 0.383 nan 8.230 nan 0.000 0.548 87 A N -0.336 122.486 122.820 0.003 0.000 1.909 87 A HA 0.187 4.507 4.320 -0.000 0.000 0.210 87 A C 0.667 178.254 177.584 0.004 0.000 1.273 87 A CA 0.711 52.751 52.037 0.004 0.000 0.654 87 A CB 0.252 19.251 19.000 -0.001 0.000 0.945 87 A HN 0.634 nan 8.150 nan 0.000 0.471 88 K N 0.295 120.694 120.400 -0.002 0.000 2.464 88 K HA 0.390 4.710 4.320 -0.000 0.000 0.253 88 K C -3.005 173.587 176.600 -0.013 0.000 0.933 88 K CA -2.347 53.935 56.287 -0.008 0.000 0.801 88 K CB 2.247 34.735 32.500 -0.019 0.000 1.271 88 K HN 0.079 nan 8.250 nan 0.000 0.430 89 P HA -0.096 nan 4.420 nan 0.000 0.263 89 P C -0.612 176.656 177.300 -0.053 0.000 1.162 89 P CA 0.108 63.203 63.100 -0.010 0.000 0.758 89 P CB 0.471 32.166 31.700 -0.008 0.000 0.773 90 V N 3.535 123.441 119.914 -0.013 0.000 3.040 90 V HA 0.363 4.483 4.120 -0.000 0.000 0.312 90 V C 0.479 176.640 176.094 0.112 0.000 1.115 90 V CA -0.708 61.572 62.300 -0.032 0.000 0.998 90 V CB 1.556 33.397 31.823 0.029 0.000 1.042 90 V HN 0.311 nan 8.190 nan 0.000 0.433 91 F N 0.988 120.969 119.950 0.053 0.000 2.408 91 F HA 0.301 4.828 4.527 -0.000 0.000 0.303 91 F C 0.898 176.765 175.800 0.112 0.000 1.268 91 F CA -0.486 57.555 58.000 0.069 0.000 1.218 91 F CB 0.045 39.078 39.000 0.055 0.000 1.283 91 F HN 0.533 nan 8.300 nan 0.000 0.545 92 H N 1.013 120.193 119.070 0.183 0.000 2.632 92 H HA 0.322 4.878 4.556 -0.000 0.000 0.258 92 H C 0.793 176.032 175.328 -0.148 0.000 1.278 92 H CA -0.463 55.549 56.048 -0.061 0.000 1.352 92 H CB 0.517 30.138 29.762 -0.234 0.000 1.418 92 H HN 0.445 nan 8.280 nan 0.000 0.513 93 V N 2.908 122.745 119.914 -0.127 0.000 2.370 93 V HA -0.421 3.699 4.120 -0.000 0.000 0.260 93 V C 2.234 178.164 176.094 -0.273 0.000 1.143 93 V CA 2.336 64.538 62.300 -0.163 0.000 1.111 93 V CB -1.321 30.415 31.823 -0.145 0.000 0.839 93 V HN 0.789 nan 8.190 nan 0.000 0.458 94 G N -2.141 106.256 108.800 -0.671 0.000 2.539 94 G HA2 0.067 4.027 3.960 -0.000 0.000 0.215 94 G HA3 0.067 4.027 3.960 -0.000 0.000 0.215 94 G C 1.320 176.093 174.900 -0.213 0.000 1.141 94 G CA 0.464 45.270 45.100 -0.491 0.000 0.806 94 G HN 0.569 nan 8.290 nan 0.000 0.533 95 F N 0.295 120.046 119.950 -0.332 0.000 2.569 95 F HA 0.214 4.741 4.527 -0.000 0.000 0.295 95 F C 2.406 178.101 175.800 -0.174 0.000 1.115 95 F CA -0.528 57.376 58.000 -0.160 0.000 1.450 95 F CB 0.055 39.031 39.000 -0.040 0.000 1.107 95 F HN 0.012 nan 8.300 nan 0.000 0.563 96 I N 0.893 121.434 120.570 -0.049 0.000 2.178 96 I HA -0.500 3.670 4.170 -0.000 0.000 0.243 96 I C 2.763 178.803 176.117 -0.128 0.000 1.019 96 I CA 1.518 62.682 61.300 -0.228 0.000 1.294 96 I CB -0.741 37.177 38.000 -0.136 0.000 0.996 96 I HN 0.174 nan 8.210 nan 0.000 0.415 97 A N 0.344 123.143 122.820 -0.035 0.000 1.881 97 A HA -0.330 3.990 4.320 -0.000 0.000 0.219 97 A C 2.343 179.920 177.584 -0.012 0.000 1.215 97 A CA 2.470 54.496 52.037 -0.018 0.000 0.648 97 A CB -0.698 18.301 19.000 -0.002 0.000 0.832 97 A HN 0.407 nan 8.150 nan 0.000 0.455 98 K N -0.900 119.500 120.400 0.000 0.000 1.973 98 K HA -0.023 4.297 4.320 -0.000 0.000 0.210 98 K C 1.959 178.617 176.600 0.097 0.000 1.045 98 K CA 1.395 57.703 56.287 0.035 0.000 0.937 98 K CB -0.473 31.979 32.500 -0.080 0.000 0.721 98 K HN 0.551 nan 8.250 nan 0.000 0.438 99 I N 1.781 122.368 120.570 0.028 0.000 2.191 99 I HA -0.428 3.742 4.170 -0.000 0.000 0.248 99 I C 2.674 178.871 176.117 0.132 0.000 1.061 99 I CA 1.509 62.828 61.300 0.032 0.000 1.329 99 I CB -0.496 37.307 38.000 -0.328 0.000 1.024 99 I HN 0.275 nan 8.210 nan 0.000 0.423 100 K N 1.889 122.309 120.400 0.034 0.000 1.980 100 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 100 K C 1.942 178.668 176.600 0.211 0.000 1.043 100 K CA 1.535 57.883 56.287 0.102 0.000 0.938 100 K CB -0.212 32.319 32.500 0.052 0.000 0.724 100 K HN 0.232 nan 8.250 nan 0.000 0.438 101 K N 0.772 121.292 120.400 0.199 0.000 2.442 101 K HA -0.089 4.231 4.320 -0.000 0.000 0.200 101 K C 1.881 178.733 176.600 0.421 0.000 1.045 101 K CA 0.685 57.141 56.287 0.281 0.000 0.937 101 K CB 0.101 32.530 32.500 -0.118 0.000 0.757 101 K HN 0.027 nan 8.250 nan 0.000 0.474 102 V N -0.111 120.025 119.914 0.369 0.000 2.374 102 V HA -0.219 3.901 4.120 -0.000 0.000 0.241 102 V C 2.288 178.484 176.094 0.170 0.000 1.034 102 V CA 1.138 63.623 62.300 0.310 0.000 1.037 102 V CB -0.192 31.763 31.823 0.219 0.000 0.682 102 V HN 0.396 nan 8.190 nan 0.000 0.463 103 C N 0.431 119.866 119.300 0.225 0.000 2.398 103 C HA -0.215 4.245 4.460 -0.000 0.000 0.276 103 C C 2.576 177.632 174.990 0.111 0.000 1.222 103 C CA 1.283 60.397 59.018 0.160 0.000 1.746 103 C CB -1.157 26.722 27.740 0.231 0.000 2.039 103 C HN 0.609 nan 8.230 nan 0.000 0.470 104 E N -1.176 119.120 120.200 0.159 0.000 2.396 104 E HA -0.204 4.146 4.350 -0.000 0.000 0.200 104 E C 1.772 178.401 176.600 0.048 0.000 1.023 104 E CA 0.898 57.357 56.400 0.097 0.000 0.857 104 E CB -0.141 29.663 29.700 0.174 0.000 0.775 104 E HN 0.698 nan 8.360 nan 0.000 0.525 105 C N 0.181 119.546 119.300 0.108 0.000 2.912 105 C HA 0.207 4.667 4.460 -0.000 0.000 0.274 105 C C 0.548 175.549 174.990 0.019 0.000 1.248 105 C CA -0.340 58.720 59.018 0.070 0.000 1.694 105 C CB 0.274 28.113 27.740 0.164 0.000 2.024 105 C HN -0.017 nan 8.230 nan 0.000 0.605 106 V N -0.568 119.345 119.914 -0.001 0.000 2.971 106 V HA 0.371 4.491 4.120 -0.000 0.000 0.309 106 V C -0.692 175.402 176.094 -0.000 0.000 1.130 106 V CA -0.755 61.529 62.300 -0.027 0.000 0.964 106 V CB 1.624 33.387 31.823 -0.099 0.000 1.029 106 V HN 0.253 nan 8.190 nan 0.000 0.427 107 C N 6.204 125.518 119.300 0.022 0.000 2.365 107 C HA 0.658 5.118 4.460 -0.000 0.000 0.351 107 C C 0.694 175.725 174.990 0.068 0.000 1.240 107 C CA -0.779 58.279 59.018 0.067 0.000 2.062 107 C CB 0.491 28.292 27.740 0.102 0.000 2.387 107 C HN 0.827 nan 8.230 nan 0.000 0.537 108 M N 4.646 124.280 119.600 0.056 0.000 1.782 108 M HA 0.249 4.729 4.480 -0.000 0.000 0.199 108 M C 1.425 177.696 176.300 -0.048 0.000 1.314 108 M CA 0.795 56.058 55.300 -0.061 0.000 0.877 108 M CB -0.850 31.626 32.600 -0.205 0.000 1.222 108 M HN 0.918 nan 8.290 nan 0.000 0.419 109 H N -1.171 117.968 119.070 0.115 0.000 4.823 109 H HA -0.221 4.335 4.556 -0.000 0.000 0.064 109 H C 1.669 177.036 175.328 0.066 0.000 0.599 109 H CA 2.412 58.509 56.048 0.082 0.000 0.956 109 H CB -1.685 28.114 29.762 0.061 0.000 0.432 109 H HN 0.881 nan 8.280 nan 0.000 0.798 110 C N 1.719 121.124 119.300 0.174 0.000 2.609 110 C HA 0.636 5.095 4.460 -0.000 0.000 0.305 110 C C 1.565 176.586 174.990 0.050 0.000 1.319 110 C CA 1.319 60.382 59.018 0.076 0.000 1.793 110 C CB -0.048 27.725 27.740 0.056 0.000 2.260 110 C HN 1.430 nan 8.230 nan 0.000 0.535 111 G N 1.907 110.743 108.800 0.059 0.000 2.460 111 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.259 111 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.259 111 G C -0.598 174.294 174.900 -0.013 0.000 0.959 111 G CA 0.772 45.888 45.100 0.025 0.000 1.330 111 G HN 1.094 nan 8.290 nan 0.000 0.451 112 K N 1.103 121.490 120.400 -0.021 0.000 2.579 112 K HA 0.567 4.887 4.320 -0.000 0.000 0.284 112 K C 0.758 177.343 176.600 -0.026 0.000 0.990 112 K CA -1.264 55.003 56.287 -0.034 0.000 0.880 112 K CB 1.212 33.699 32.500 -0.022 0.000 1.488 112 K HN 0.282 nan 8.250 nan 0.000 0.425 113 L N 2.215 123.422 121.223 -0.026 0.000 2.477 113 L HA -0.056 4.284 4.340 -0.000 0.000 0.289 113 L C 0.813 177.683 176.870 0.001 0.000 1.279 113 L CA 0.466 55.300 54.840 -0.011 0.000 0.825 113 L CB 0.115 42.171 42.059 -0.006 0.000 1.085 113 L HN 0.579 nan 8.230 nan 0.000 0.548 114 L N 2.154 123.379 121.223 0.002 0.000 2.959 114 L HA 0.363 4.703 4.340 -0.000 0.000 0.259 114 L C -0.571 176.302 176.870 0.005 0.000 1.185 114 L CA 0.033 54.875 54.840 0.003 0.000 0.998 114 L CB 0.128 42.181 42.059 -0.009 0.000 1.337 114 L HN 0.375 nan 8.230 nan 0.000 0.555 115 L N 0.223 121.452 121.223 0.010 0.000 2.752 115 L HA 0.338 4.678 4.340 -0.000 0.000 0.257 115 L C -1.125 175.752 176.870 0.011 0.000 0.968 115 L CA -0.365 54.483 54.840 0.015 0.000 0.953 115 L CB 2.048 44.108 42.059 0.001 0.000 1.286 115 L HN -0.035 nan 8.230 nan 0.000 0.443 116 D N 1.242 121.659 120.400 0.027 0.000 2.451 116 D HA 0.115 4.755 4.640 -0.000 0.000 0.259 116 D C 0.848 177.086 176.300 -0.103 0.000 1.201 116 D CA -0.341 53.630 54.000 -0.047 0.000 1.028 116 D CB 1.295 42.064 40.800 -0.052 0.000 1.095 116 D HN 0.460 nan 8.370 nan 0.000 0.539 117 E N -0.290 119.777 120.200 -0.223 0.000 2.284 117 E HA -0.215 4.135 4.350 -0.000 0.000 0.200 117 E C 1.643 178.163 176.600 -0.135 0.000 1.008 117 E CA 1.148 57.439 56.400 -0.182 0.000 0.829 117 E CB -0.163 29.405 29.700 -0.221 0.000 0.744 117 E HN 0.381 nan 8.360 nan 0.000 0.491 118 H N 0.173 119.241 119.070 -0.004 0.000 2.319 118 H HA -0.070 4.486 4.556 -0.000 0.000 0.299 118 H C 1.020 176.345 175.328 -0.005 0.000 1.092 118 H CA 1.060 57.105 56.048 -0.005 0.000 1.302 118 H CB -0.431 29.327 29.762 -0.006 0.000 1.373 118 H HN 0.110 nan 8.280 nan 0.000 0.497 119 N N 1.592 120.355 118.700 0.105 0.000 2.430 119 N HA -0.071 4.669 4.740 -0.000 0.000 0.265 119 N C 1.160 176.687 175.510 0.028 0.000 1.100 119 N CA 0.154 53.236 53.050 0.053 0.000 0.961 119 N CB 1.439 39.946 38.487 0.034 0.000 1.075 119 N HN 0.393 nan 8.380 nan 0.000 0.478 120 E N 4.080 124.294 120.200 0.024 0.000 2.051 120 E HA -0.152 4.197 4.350 -0.000 0.000 0.192 120 E C 1.580 178.184 176.600 0.008 0.000 0.991 120 E CA 0.893 57.302 56.400 0.014 0.000 0.799 120 E CB 0.075 29.783 29.700 0.014 0.000 0.748 120 E HN 0.675 nan 8.360 nan 0.000 0.449 121 L N 0.238 121.464 121.223 0.005 0.000 2.129 121 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 121 L C 2.640 179.510 176.870 0.001 0.000 1.087 121 L CA 1.106 55.947 54.840 0.001 0.000 0.757 121 L CB -0.267 41.788 42.059 -0.005 0.000 0.896 121 L HN 0.385 nan 8.230 nan 0.000 0.434 122 M N -0.329 119.272 119.600 0.002 0.000 2.123 122 M HA -0.146 4.333 4.480 -0.000 0.000 0.263 122 M C 2.226 178.528 176.300 0.003 0.000 1.069 122 M CA 1.633 56.934 55.300 0.002 0.000 1.133 122 M CB -0.247 32.353 32.600 -0.000 0.000 1.356 122 M HN -0.019 nan 8.290 nan 0.000 0.415 123 R N -0.189 120.311 120.500 0.000 0.000 2.143 123 R HA -0.276 4.064 4.340 -0.000 0.000 0.239 123 R C 2.231 178.535 176.300 0.007 0.000 1.126 123 R CA 2.542 58.641 56.100 -0.001 0.000 0.927 123 R CB -1.083 29.217 30.300 -0.000 0.000 0.860 123 R HN 0.577 nan 8.270 nan 0.000 0.433 124 Q N -0.274 119.531 119.800 0.009 0.000 2.173 124 Q HA -0.194 4.146 4.340 -0.000 0.000 0.208 124 Q C 1.946 177.957 176.000 0.018 0.000 0.989 124 Q CA 1.744 57.555 55.803 0.013 0.000 0.872 124 Q CB -0.222 28.523 28.738 0.012 0.000 0.909 124 Q HN 0.458 nan 8.270 nan 0.000 0.420 125 A N -0.109 122.722 122.820 0.018 0.000 2.238 125 A HA 0.070 4.390 4.320 -0.000 0.000 0.208 125 A C 1.472 179.076 177.584 0.034 0.000 1.177 125 A CA 0.375 52.428 52.037 0.027 0.000 0.804 125 A CB 0.032 19.046 19.000 0.023 0.000 0.823 125 A HN 0.261 nan 8.150 nan 0.000 0.482 126 L N -2.115 119.124 121.223 0.027 0.000 2.766 126 L HA 0.248 4.588 4.340 -0.000 0.000 0.242 126 L C 2.127 179.014 176.870 0.028 0.000 1.136 126 L CA 0.608 55.466 54.840 0.029 0.000 0.933 126 L CB 0.328 42.397 42.059 0.016 0.000 1.241 126 L HN 0.350 nan 8.230 nan 0.000 0.522 127 A N -0.051 122.785 122.820 0.027 0.000 2.014 127 A HA 0.252 4.572 4.320 -0.000 0.000 0.210 127 A C 1.116 178.719 177.584 0.032 0.000 1.188 127 A CA -0.134 51.918 52.037 0.025 0.000 0.731 127 A CB 0.059 19.071 19.000 0.020 0.000 0.858 127 A HN 0.189 nan 8.150 nan 0.000 0.464 128 I N 1.941 122.532 120.570 0.036 0.000 2.872 128 I HA -0.090 4.080 4.170 -0.000 0.000 0.287 128 I C -0.200 175.946 176.117 0.047 0.000 1.197 128 I CA 0.630 61.955 61.300 0.041 0.000 1.390 128 I CB 0.299 38.326 38.000 0.046 0.000 1.400 128 I HN 0.215 nan 8.210 nan 0.000 0.544 129 K N 6.429 126.855 120.400 0.044 0.000 2.231 129 K HA 0.277 4.597 4.320 -0.000 0.000 0.255 129 K C -0.751 175.878 176.600 0.048 0.000 1.108 129 K CA -0.232 56.082 56.287 0.045 0.000 0.997 129 K CB 0.442 32.966 32.500 0.039 0.000 1.549 129 K HN 0.436 nan 8.250 nan 0.000 0.419 130 D N 1.137 121.570 120.400 0.056 0.000 2.492 130 D HA -0.054 4.585 4.640 -0.000 0.000 0.229 130 D C 0.936 177.276 176.300 0.066 0.000 1.345 130 D CA 0.062 54.094 54.000 0.055 0.000 0.912 130 D CB 0.754 41.586 40.800 0.052 0.000 1.526 130 D HN 0.389 nan 8.370 nan 0.000 0.505 131 S N 2.189 117.924 115.700 0.057 0.000 2.426 131 S HA -0.346 4.124 4.470 -0.000 0.000 0.253 131 S C 1.665 176.314 174.600 0.082 0.000 1.104 131 S CA 1.200 59.434 58.200 0.057 0.000 1.158 131 S CB -0.192 63.006 63.200 -0.003 0.000 1.043 131 S HN 0.482 nan 8.310 nan 0.000 0.443 132 K N 1.136 121.569 120.400 0.056 0.000 2.209 132 K HA -0.014 4.306 4.320 -0.000 0.000 0.204 132 K C 2.318 178.985 176.600 0.112 0.000 1.048 132 K CA 1.466 57.798 56.287 0.074 0.000 0.940 132 K CB -0.127 32.398 32.500 0.040 0.000 0.729 132 K HN 0.531 nan 8.250 nan 0.000 0.451 133 K N -0.204 120.255 120.400 0.098 0.000 2.244 133 K HA 0.068 4.388 4.320 -0.000 0.000 0.200 133 K C 2.045 178.705 176.600 0.100 0.000 1.052 133 K CA 0.124 56.463 56.287 0.088 0.000 0.980 133 K CB 0.202 32.740 32.500 0.065 0.000 0.838 133 K HN 0.004 nan 8.250 nan 0.000 0.481 134 R N 0.674 121.247 120.500 0.121 0.000 2.096 134 R HA -0.133 4.207 4.340 -0.000 0.000 0.229 134 R C 2.074 178.461 176.300 0.146 0.000 1.134 134 R CA 1.851 58.025 56.100 0.123 0.000 0.917 134 R CB -0.667 29.719 30.300 0.144 0.000 0.832 134 R HN 0.107 nan 8.270 nan 0.000 0.430 135 F N 1.242 121.238 119.950 0.077 0.000 2.380 135 F HA -0.198 4.329 4.527 -0.000 0.000 0.299 135 F C 1.762 177.623 175.800 0.102 0.000 1.064 135 F CA 1.102 59.159 58.000 0.096 0.000 1.432 135 F CB 0.002 39.045 39.000 0.070 0.000 1.089 135 F HN 0.061 nan 8.300 nan 0.000 0.562 136 A N -1.067 121.750 122.820 -0.006 0.000 2.197 136 A HA 0.497 4.817 4.320 -0.000 0.000 0.210 136 A C 2.063 179.668 177.584 0.036 0.000 1.180 136 A CA 0.645 52.662 52.037 -0.034 0.000 0.846 136 A CB -0.683 18.340 19.000 0.039 0.000 0.884 136 A HN 0.357 nan 8.150 nan 0.000 0.487 137 A N -0.042 122.798 122.820 0.034 0.000 1.942 137 A HA 0.270 4.590 4.320 -0.000 0.000 0.209 137 A C 1.895 179.492 177.584 0.022 0.000 1.214 137 A CA 0.685 52.745 52.037 0.040 0.000 0.686 137 A CB -0.420 18.602 19.000 0.037 0.000 0.871 137 A HN 0.324 nan 8.150 nan 0.000 0.460 138 I N -1.701 118.876 120.570 0.013 0.000 2.118 138 I HA -0.328 3.842 4.170 -0.000 0.000 0.241 138 I C 2.448 178.557 176.117 -0.014 0.000 1.070 138 I CA 2.055 63.358 61.300 0.005 0.000 1.327 138 I CB -0.404 37.617 38.000 0.035 0.000 1.034 138 I HN 0.703 nan 8.210 nan 0.000 0.405 139 W N 1.916 123.038 121.300 -0.296 0.000 2.317 139 W HA -0.278 4.382 4.660 -0.000 0.000 0.318 139 W C 2.664 179.078 176.519 -0.174 0.000 1.227 139 W CA 2.526 59.688 57.345 -0.304 0.000 1.269 139 W CB -0.704 28.445 29.460 -0.518 0.000 1.155 139 W HN -0.001 nan 8.180 nan 0.000 0.484 140 T N 1.393 115.934 114.554 -0.021 0.000 2.849 140 T HA -0.224 4.126 4.350 -0.000 0.000 0.270 140 T C 1.865 176.426 174.700 -0.232 0.000 1.066 140 T CA 1.648 63.633 62.100 -0.193 0.000 1.130 140 T CB -0.414 68.457 68.868 0.006 0.000 0.864 140 T HN 0.186 nan 8.240 nan 0.000 0.481 141 L N 0.676 121.807 121.223 -0.152 0.000 2.068 141 L HA -0.010 4.330 4.340 -0.000 0.000 0.204 141 L C 2.401 179.180 176.870 -0.152 0.000 1.076 141 L CA 1.039 55.805 54.840 -0.122 0.000 0.753 141 L CB -0.325 41.696 42.059 -0.064 0.000 0.910 141 L HN 0.448 nan 8.230 nan 0.000 0.439 142 C N -2.142 117.053 119.300 -0.175 0.000 2.855 142 C HA 0.141 4.601 4.460 -0.000 0.000 0.279 142 C C 2.229 177.074 174.990 -0.242 0.000 1.270 142 C CA -0.737 58.184 59.018 -0.161 0.000 1.702 142 C CB -1.250 26.434 27.740 -0.093 0.000 1.949 142 C HN 0.459 nan 8.230 nan 0.000 0.618 143 K N 1.585 121.731 120.400 -0.424 0.000 2.217 143 K HA -0.049 4.271 4.320 -0.000 0.000 0.202 143 K C 1.528 177.930 176.600 -0.330 0.000 1.051 143 K CA 1.761 57.729 56.287 -0.532 0.000 0.952 143 K CB -0.595 31.264 32.500 -1.068 0.000 0.736 143 K HN 0.343 nan 8.250 nan 0.000 0.453 144 T N 1.219 115.612 114.554 -0.269 0.000 2.706 144 T HA -0.026 4.324 4.350 -0.000 0.000 0.255 144 T C 0.323 174.948 174.700 -0.126 0.000 1.048 144 T CA 0.686 62.679 62.100 -0.179 0.000 1.153 144 T CB -0.036 68.743 68.868 -0.148 0.000 0.865 144 T HN 0.204 nan 8.240 nan 0.000 0.414 145 K N 1.694 122.030 120.400 -0.107 0.000 2.472 145 K HA 0.114 4.434 4.320 -0.000 0.000 0.280 145 K C -0.159 176.403 176.600 -0.064 0.000 1.028 145 K CA 0.559 56.804 56.287 -0.070 0.000 1.045 145 K CB 0.230 32.698 32.500 -0.054 0.000 0.902 145 K HN 0.339 nan 8.250 nan 0.000 0.478 146 M N 2.883 122.456 119.600 -0.044 0.000 3.004 146 M HA 0.166 4.646 4.480 -0.000 0.000 0.365 146 M C -1.163 175.140 176.300 0.005 0.000 1.317 146 M CA -0.299 54.982 55.300 -0.031 0.000 0.821 146 M CB 0.994 33.565 32.600 -0.048 0.000 1.387 146 M HN 0.088 nan 8.290 nan 0.000 0.501 147 V N 0.244 120.164 119.914 0.010 0.000 2.559 147 V HA 0.095 4.215 4.120 -0.000 0.000 0.289 147 V C -0.295 175.814 176.094 0.026 0.000 1.036 147 V CA -1.126 61.190 62.300 0.027 0.000 0.887 147 V CB 1.899 33.733 31.823 0.017 0.000 1.022 147 V HN 0.543 nan 8.190 nan 0.000 0.442 148 C N 5.993 125.319 119.300 0.043 0.000 2.996 148 C HA 0.114 4.574 4.460 -0.000 0.000 0.419 148 C C 1.142 176.148 174.990 0.025 0.000 1.081 148 C CA -0.241 58.800 59.018 0.039 0.000 1.160 148 C CB -1.952 25.825 27.740 0.062 0.000 1.687 148 C HN 0.866 nan 8.230 nan 0.000 0.575 149 E N 2.628 122.837 120.200 0.015 0.000 2.653 149 E HA -0.075 4.275 4.350 -0.000 0.000 0.264 149 E C 1.051 177.653 176.600 0.003 0.000 0.949 149 E CA 0.591 56.994 56.400 0.006 0.000 0.953 149 E CB 0.564 30.265 29.700 0.001 0.000 0.925 149 E HN 0.668 nan 8.360 nan 0.000 0.475 150 T N 1.504 116.054 114.554 -0.007 0.000 2.990 150 T HA 0.035 4.385 4.350 -0.000 0.000 0.249 150 T C -0.393 174.289 174.700 -0.031 0.000 1.039 150 T CA 0.122 62.214 62.100 -0.013 0.000 1.036 150 T CB 0.421 69.282 68.868 -0.012 0.000 0.994 150 T HN 0.353 nan 8.240 nan 0.000 0.489 151 D N 1.193 121.570 120.400 -0.038 0.000 2.855 151 D HA 0.518 5.157 4.640 -0.000 0.000 0.241 151 D C -1.095 175.166 176.300 -0.064 0.000 1.277 151 D CA -0.166 53.798 54.000 -0.059 0.000 0.918 151 D CB 2.809 43.582 40.800 -0.046 0.000 1.462 151 D HN -0.014 nan 8.370 nan 0.000 0.559 152 V N 2.003 121.856 119.914 -0.103 0.000 2.876 152 V HA 0.479 4.598 4.120 -0.000 0.000 0.312 152 V C -2.369 173.665 176.094 -0.101 0.000 1.085 152 V CA -1.887 60.359 62.300 -0.089 0.000 0.945 152 V CB 2.505 34.280 31.823 -0.081 0.000 1.017 152 V HN 0.349 nan 8.190 nan 0.000 0.428 153 P HA 0.133 nan 4.420 nan 0.000 0.269 153 P C 0.263 177.540 177.300 -0.039 0.000 1.263 153 P CA 0.219 63.292 63.100 -0.045 0.000 0.813 153 P CB 0.706 32.392 31.700 -0.024 0.000 0.868 154 S N 3.250 118.920 115.700 -0.049 0.000 2.629 154 S HA -0.024 4.446 4.470 -0.000 0.000 0.250 154 S C 1.050 175.659 174.600 0.015 0.000 1.318 154 S CA -0.299 57.893 58.200 -0.015 0.000 0.970 154 S CB -0.251 62.937 63.200 -0.019 0.000 0.996 154 S HN 0.454 nan 8.310 nan 0.000 0.563 155 E N 1.150 121.370 120.200 0.033 0.000 2.461 155 E HA 0.045 4.395 4.350 -0.000 0.000 0.196 155 E C -0.132 176.477 176.600 0.014 0.000 1.129 155 E CA 0.330 56.746 56.400 0.027 0.000 0.902 155 E CB -0.303 29.417 29.700 0.033 0.000 0.963 155 E HN 0.452 nan 8.360 nan 0.000 0.503 156 D N 0.178 120.582 120.400 0.007 0.000 3.222 156 D HA 0.099 4.739 4.640 -0.000 0.000 0.190 156 D C -0.005 176.294 176.300 -0.001 0.000 1.235 156 D CA -0.494 53.507 54.000 0.003 0.000 1.213 156 D CB -0.001 40.800 40.800 0.000 0.000 1.103 156 D HN -0.134 nan 8.370 nan 0.000 0.468 157 D N 1.675 122.072 120.400 -0.004 0.000 2.389 157 D HA 0.109 4.749 4.640 -0.000 0.000 0.247 157 D C -1.366 174.929 176.300 -0.009 0.000 1.128 157 D CA -1.018 52.979 54.000 -0.006 0.000 0.884 157 D CB 1.667 42.463 40.800 -0.007 0.000 1.194 157 D HN 0.050 nan 8.370 nan 0.000 0.441 158 P HA -0.051 nan 4.420 nan 0.000 0.237 158 P C 0.996 178.288 177.300 -0.013 0.000 1.178 158 P CA 0.566 63.660 63.100 -0.011 0.000 0.766 158 P CB 0.456 32.151 31.700 -0.008 0.000 0.876 159 T N -0.255 114.292 114.554 -0.012 0.000 2.732 159 T HA -0.068 4.282 4.350 -0.000 0.000 0.261 159 T C 1.027 175.718 174.700 -0.015 0.000 1.040 159 T CA 0.924 63.017 62.100 -0.012 0.000 1.145 159 T CB -0.429 68.434 68.868 -0.009 0.000 0.866 159 T HN 0.305 nan 8.240 nan 0.000 0.427 160 Q N 1.185 120.976 119.800 -0.016 0.000 2.304 160 Q HA 0.456 4.796 4.340 -0.000 0.000 0.260 160 Q C -0.979 175.004 176.000 -0.029 0.000 0.965 160 Q CA -0.030 55.760 55.803 -0.021 0.000 0.898 160 Q CB 0.788 29.515 28.738 -0.018 0.000 1.196 160 Q HN 0.410 nan 8.270 nan 0.000 0.402 161 L N 2.829 124.031 121.223 -0.034 0.000 2.313 161 L HA 0.493 4.833 4.340 -0.000 0.000 0.283 161 L C -0.424 176.410 176.870 -0.061 0.000 1.013 161 L CA -0.950 53.861 54.840 -0.048 0.000 0.816 161 L CB 1.391 43.426 42.059 -0.041 0.000 1.236 161 L HN 0.334 nan 8.230 nan 0.000 0.419 162 V N 1.375 121.233 119.914 -0.093 0.000 2.716 162 V HA 0.500 4.620 4.120 -0.000 0.000 0.304 162 V C 0.392 176.406 176.094 -0.133 0.000 1.053 162 V CA -0.500 61.730 62.300 -0.116 0.000 0.984 162 V CB 1.861 33.584 31.823 -0.166 0.000 1.021 162 V HN 0.924 nan 8.190 nan 0.000 0.467 163 S N 3.595 119.233 115.700 -0.104 0.000 2.681 163 S HA 0.895 5.365 4.470 -0.000 0.000 0.299 163 S C -0.317 174.241 174.600 -0.069 0.000 1.113 163 S CA -0.819 57.334 58.200 -0.079 0.000 1.013 163 S CB 2.501 65.674 63.200 -0.044 0.000 1.076 163 S HN 0.945 nan 8.310 nan 0.000 0.534 164 R N 0.459 120.939 120.500 -0.033 0.000 3.167 164 R HA 0.636 4.976 4.340 -0.000 0.000 0.112 164 R C 0.474 176.781 176.300 0.011 0.000 0.610 164 R CA -0.667 55.443 56.100 0.016 0.000 0.397 164 R CB -0.368 29.970 30.300 0.063 0.000 0.732 164 R HN 0.762 nan 8.270 nan 0.000 0.329 165 G N -0.324 108.488 108.800 0.020 0.000 2.569 165 G HA2 0.451 4.411 3.960 -0.000 0.000 0.249 165 G HA3 0.451 4.411 3.960 -0.000 0.000 0.249 165 G C -0.376 174.527 174.900 0.004 0.000 1.216 165 G CA -0.032 45.073 45.100 0.008 0.000 0.845 165 G HN 0.641 nan 8.290 nan 0.000 0.568 166 G N -2.130 106.670 108.800 0.000 0.000 2.533 166 G HA2 0.645 4.605 3.960 -0.000 0.000 0.304 166 G HA3 0.645 4.605 3.960 -0.000 0.000 0.304 166 G C -0.259 174.643 174.900 0.003 0.000 1.263 166 G CA 0.019 45.118 45.100 -0.002 0.000 0.964 166 G HN 2.135 nan 8.290 nan 0.000 0.479 167 C N -0.477 118.822 119.300 -0.001 0.000 3.440 167 C HA 0.088 4.548 4.460 -0.000 0.000 0.365 167 C C 1.199 176.195 174.990 0.009 0.000 0.909 167 C CA -0.792 58.222 59.018 -0.007 0.000 3.872 167 C CB -1.383 26.359 27.740 0.003 0.000 1.064 167 C HN 1.822 nan 8.230 nan 0.000 0.604 168 G N 1.779 110.579 108.800 0.000 0.000 2.653 168 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.212 168 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.212 168 G C 0.584 175.504 174.900 0.034 0.000 1.138 168 G CA 0.479 45.589 45.100 0.017 0.000 0.782 168 G HN 0.993 nan 8.290 nan 0.000 0.535 169 N N 2.189 120.896 118.700 0.011 0.000 1.939 169 N HA -0.082 4.658 4.740 -0.000 0.000 0.301 169 N C 0.530 176.133 175.510 0.155 0.000 1.353 169 N CA 0.845 53.910 53.050 0.025 0.000 0.851 169 N CB 0.104 38.526 38.487 -0.110 0.000 1.153 169 N HN 0.102 nan 8.380 nan 0.000 0.496 170 T N 2.760 117.412 114.554 0.163 0.000 2.923 170 T HA -0.118 4.232 4.350 -0.000 0.000 0.309 170 T C 0.800 175.676 174.700 0.295 0.000 1.059 170 T CA 0.320 62.543 62.100 0.204 0.000 1.133 170 T CB 0.518 69.517 68.868 0.219 0.000 1.053 170 T HN 0.320 nan 8.240 nan 0.000 0.530 171 Q N 3.706 123.594 119.800 0.147 0.000 2.274 171 Q HA 0.284 4.624 4.340 -0.000 0.000 0.256 171 Q C -2.153 173.760 176.000 -0.145 0.000 0.927 171 Q CA -1.939 53.899 55.803 0.059 0.000 0.939 171 Q CB 1.169 29.915 28.738 0.014 0.000 1.201 171 Q HN 0.441 nan 8.270 nan 0.000 0.426 172 P HA 0.079 nan 4.420 nan 0.000 0.286 172 P C -0.583 176.453 177.300 -0.440 0.000 1.269 172 P CA -0.289 62.319 63.100 -0.819 0.000 0.787 172 P CB 1.163 31.671 31.700 -1.985 0.000 0.920 173 T N 3.621 117.989 114.554 -0.310 0.000 2.802 173 T HA 0.360 4.710 4.350 -0.000 0.000 0.305 173 T C 0.658 175.246 174.700 -0.187 0.000 1.053 173 T CA 0.171 62.158 62.100 -0.187 0.000 1.058 173 T CB 0.101 68.892 68.868 -0.129 0.000 0.988 173 T HN 0.281 nan 8.240 nan 0.000 0.539 174 I N 1.246 121.759 120.570 -0.095 0.000 2.769 174 I HA 0.578 4.747 4.170 -0.000 0.000 0.298 174 I C -0.141 175.977 176.117 0.002 0.000 1.128 174 I CA -1.223 60.045 61.300 -0.053 0.000 1.031 174 I CB 2.278 40.271 38.000 -0.012 0.000 1.235 174 I HN 0.634 nan 8.210 nan 0.000 0.423 175 R N 2.813 123.322 120.500 0.014 0.000 2.867 175 R HA 0.622 4.962 4.340 -0.000 0.000 0.268 175 R C -1.259 175.072 176.300 0.053 0.000 1.014 175 R CA -1.152 54.969 56.100 0.035 0.000 0.946 175 R CB 2.207 32.521 30.300 0.023 0.000 1.208 175 R HN 0.459 nan 8.270 nan 0.000 0.477 176 K N 1.492 121.927 120.400 0.059 0.000 2.293 176 K HA 0.128 4.448 4.320 -0.000 0.000 0.267 176 K C -1.286 175.354 176.600 0.067 0.000 1.010 176 K CA -0.477 55.852 56.287 0.070 0.000 0.875 176 K CB 1.180 33.719 32.500 0.065 0.000 1.106 176 K HN 0.662 nan 8.250 nan 0.000 0.450 177 D N 4.017 124.463 120.400 0.077 0.000 2.453 177 D HA 0.269 4.908 4.640 -0.000 0.000 0.238 177 D C 0.625 176.975 176.300 0.083 0.000 1.088 177 D CA 0.610 54.651 54.000 0.068 0.000 0.854 177 D CB 1.257 42.092 40.800 0.058 0.000 1.076 177 D HN 0.893 nan 8.370 nan 0.000 0.533 178 G N 3.795 112.644 108.800 0.081 0.000 2.629 178 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.313 178 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.313 178 G C 0.677 175.652 174.900 0.124 0.000 1.217 178 G CA 0.525 45.683 45.100 0.097 0.000 0.994 178 G HN 0.569 nan 8.290 nan 0.000 0.549 179 L N 0.927 122.238 121.223 0.147 0.000 2.872 179 L HA 0.398 4.738 4.340 -0.000 0.000 0.245 179 L C 0.645 177.665 176.870 0.250 0.000 1.211 179 L CA 0.075 55.037 54.840 0.203 0.000 1.013 179 L CB -0.086 42.086 42.059 0.187 0.000 1.326 179 L HN 0.247 nan 8.230 nan 0.000 0.525 180 K N 1.038 121.561 120.400 0.205 0.000 2.435 180 K HA 0.643 4.963 4.320 -0.000 0.000 0.251 180 K C -1.077 175.656 176.600 0.222 0.000 0.954 180 K CA -0.780 55.630 56.287 0.205 0.000 0.820 180 K CB 3.183 35.737 32.500 0.090 0.000 1.292 180 K HN -0.029 nan 8.250 nan 0.000 0.436 181 L N 2.257 123.636 121.223 0.261 0.000 2.296 181 L HA 0.528 4.868 4.340 -0.000 0.000 0.286 181 L C -0.716 176.232 176.870 0.131 0.000 1.023 181 L CA -1.038 53.919 54.840 0.195 0.000 0.812 181 L CB 1.580 43.784 42.059 0.242 0.000 1.223 181 L HN 0.246 nan 8.230 nan 0.000 0.421 182 V N 1.896 121.860 119.914 0.084 0.000 2.735 182 V HA 0.873 4.992 4.120 -0.000 0.000 0.310 182 V C 0.111 176.198 176.094 -0.012 0.000 1.061 182 V CA -0.424 61.910 62.300 0.056 0.000 0.913 182 V CB 2.171 34.030 31.823 0.060 0.000 1.005 182 V HN 0.876 nan 8.190 nan 0.000 0.428 183 G N 1.613 110.365 108.800 -0.080 0.000 2.690 183 G HA2 0.660 4.620 3.960 -0.000 0.000 0.293 183 G HA3 0.660 4.620 3.960 -0.000 0.000 0.293 183 G C -0.889 173.832 174.900 -0.298 0.000 1.399 183 G CA -0.304 44.646 45.100 -0.250 0.000 0.890 183 G HN 0.899 nan 8.290 nan 0.000 0.485 184 S N 0.135 115.677 115.700 -0.262 0.000 2.475 184 S HA 0.672 5.142 4.470 -0.000 0.000 0.298 184 S C -0.887 173.618 174.600 -0.159 0.000 1.119 184 S CA -0.779 57.371 58.200 -0.083 0.000 1.085 184 S CB 1.404 64.600 63.200 -0.008 0.000 1.028 184 S HN 0.541 nan 8.310 nan 0.000 0.489 185 W N 2.376 123.693 121.300 0.028 0.000 2.376 185 W HA 0.361 5.021 4.660 -0.000 0.000 0.312 185 W C -0.147 176.383 176.519 0.020 0.000 1.060 185 W CA -0.858 56.505 57.345 0.029 0.000 1.221 185 W CB 1.651 31.134 29.460 0.038 0.000 1.281 185 W HN 0.595 nan 8.180 nan 0.000 0.456 186 K N 3.414 123.923 120.400 0.182 0.000 2.297 186 K HA 0.234 4.553 4.320 -0.000 0.000 0.286 186 K C -0.070 176.597 176.600 0.112 0.000 1.053 186 K CA -0.148 56.208 56.287 0.114 0.000 0.940 186 K CB 1.213 33.749 32.500 0.060 0.000 1.019 186 K HN 0.206 nan 8.250 nan 0.000 0.475 187 K N 2.558 123.010 120.400 0.086 0.000 2.307 187 K HA 0.170 4.490 4.320 -0.000 0.000 0.263 187 K C -0.816 175.808 176.600 0.040 0.000 0.973 187 K CA -0.674 55.650 56.287 0.061 0.000 0.846 187 K CB 1.276 33.807 32.500 0.052 0.000 1.100 187 K HN 0.488 nan 8.250 nan 0.000 0.438 188 D N 2.095 122.514 120.400 0.032 0.000 2.277 188 D HA 0.432 5.072 4.640 -0.000 0.000 0.250 188 D C -0.470 175.839 176.300 0.015 0.000 1.032 188 D CA -0.195 53.818 54.000 0.022 0.000 0.947 188 D CB 1.266 42.078 40.800 0.019 0.000 1.159 188 D HN 0.429 nan 8.370 nan 0.000 0.460 196 E N 0.383 120.601 120.200 0.030 0.000 7.683 196 E HA -0.106 4.244 4.350 -0.000 0.000 0.459 196 E C -2.615 174.015 176.600 0.050 0.000 0.466 196 E CA -0.595 55.826 56.400 0.034 0.000 0.834 196 E CB -0.024 29.693 29.700 0.029 0.000 0.971 196 E HN 0.187 nan 8.360 nan 0.000 0.262 197 P HA 0.058 nan 4.420 nan 0.000 0.280 197 P C -0.674 176.691 177.300 0.108 0.000 1.278 197 P CA 0.327 63.478 63.100 0.084 0.000 0.787 197 P CB 0.405 32.146 31.700 0.068 0.000 1.163 198 E N -0.166 120.134 120.200 0.167 0.000 2.874 198 E HA 0.252 4.601 4.350 -0.000 0.000 0.320 198 E C -0.955 175.815 176.600 0.283 0.000 1.141 198 E CA -0.259 56.257 56.400 0.193 0.000 0.774 198 E CB 0.307 30.131 29.700 0.207 0.000 1.542 198 E HN 0.328 nan 8.360 nan 0.000 0.380 199 L N 3.781 125.114 121.223 0.183 0.000 2.281 199 L HA 0.492 4.832 4.340 -0.000 0.000 0.285 199 L C 0.280 177.260 176.870 0.183 0.000 1.074 199 L CA -0.209 54.740 54.840 0.182 0.000 0.817 199 L CB 0.255 42.375 42.059 0.101 0.000 1.168 199 L HN 0.320 nan 8.230 nan 0.000 0.434 200 R N 2.047 122.712 120.500 0.274 0.000 2.698 200 R HA 0.657 4.997 4.340 -0.000 0.000 0.275 200 R C -1.606 174.818 176.300 0.206 0.000 1.001 200 R CA -0.863 55.361 56.100 0.207 0.000 0.896 200 R CB 1.575 31.983 30.300 0.181 0.000 1.218 200 R HN 0.204 nan 8.270 nan 0.000 0.462 201 V N 3.887 123.869 119.914 0.114 0.000 2.555 201 V HA 0.164 4.284 4.120 -0.000 0.000 0.286 201 V C 0.441 176.607 176.094 0.119 0.000 1.044 201 V CA -0.444 61.913 62.300 0.095 0.000 1.026 201 V CB 0.929 32.774 31.823 0.038 0.000 0.981 201 V HN 0.593 nan 8.190 nan 0.000 0.480 202 L N 5.554 126.860 121.223 0.138 0.000 2.363 202 L HA 0.210 4.550 4.340 -0.000 0.000 0.286 202 L C 0.941 177.864 176.870 0.088 0.000 1.106 202 L CA 0.032 54.963 54.840 0.152 0.000 0.859 202 L CB 0.652 42.822 42.059 0.186 0.000 1.223 202 L HN 0.888 nan 8.230 nan 0.000 0.446 203 S N 0.925 116.657 115.700 0.055 0.000 2.549 203 S HA 0.031 4.501 4.470 -0.000 0.000 0.286 203 S C 1.265 175.850 174.600 -0.024 0.000 1.314 203 S CA -0.463 57.734 58.200 -0.004 0.000 1.062 203 S CB 1.208 64.412 63.200 0.006 0.000 0.865 203 S HN 0.626 nan 8.310 nan 0.000 0.498 204 T N 3.354 117.830 114.554 -0.130 0.000 2.635 204 T HA -0.194 4.156 4.350 -0.000 0.000 0.267 204 T C 1.563 176.236 174.700 -0.046 0.000 1.040 204 T CA 2.153 64.159 62.100 -0.155 0.000 1.156 204 T CB -0.754 67.940 68.868 -0.290 0.000 0.863 204 T HN 0.866 nan 8.240 nan 0.000 0.430 205 E N 0.740 120.916 120.200 -0.039 0.000 2.164 205 E HA -0.276 4.074 4.350 -0.000 0.000 0.206 205 E C 2.227 178.834 176.600 0.011 0.000 1.032 205 E CA 1.616 58.010 56.400 -0.009 0.000 0.832 205 E CB -0.181 29.518 29.700 -0.002 0.000 0.742 205 E HN 0.622 nan 8.360 nan 0.000 0.460 206 E N 0.261 120.476 120.200 0.026 0.000 2.016 206 E HA -0.169 4.181 4.350 -0.000 0.000 0.190 206 E C 2.157 178.807 176.600 0.084 0.000 0.985 206 E CA 0.706 57.139 56.400 0.054 0.000 0.802 206 E CB 0.109 29.849 29.700 0.067 0.000 0.762 206 E HN 0.119 nan 8.360 nan 0.000 0.448 207 I N 1.762 122.389 120.570 0.096 0.000 2.091 207 I HA -0.328 3.842 4.170 -0.000 0.000 0.239 207 I C 2.754 178.900 176.117 0.048 0.000 1.061 207 I CA 1.201 62.575 61.300 0.124 0.000 1.317 207 I CB -1.273 36.779 38.000 0.086 0.000 1.031 207 I HN 0.369 nan 8.210 nan 0.000 0.401 208 L N 0.796 121.983 121.223 -0.060 0.000 2.054 208 L HA -0.349 3.991 4.340 -0.000 0.000 0.220 208 L C 2.591 179.483 176.870 0.037 0.000 1.081 208 L CA 2.058 56.852 54.840 -0.077 0.000 0.780 208 L CB -0.471 41.569 42.059 -0.032 0.000 0.893 208 L HN 0.429 nan 8.230 nan 0.000 0.438 209 N N 0.488 119.210 118.700 0.037 0.000 2.025 209 N HA -0.232 4.508 4.740 -0.000 0.000 0.194 209 N C 1.877 177.413 175.510 0.044 0.000 1.044 209 N CA 2.243 55.286 53.050 -0.011 0.000 0.851 209 N CB -0.292 38.189 38.487 -0.009 0.000 1.036 209 N HN 0.415 nan 8.380 nan 0.000 0.422 210 I N 0.393 121.064 120.570 0.169 0.000 2.236 210 I HA -0.306 3.864 4.170 -0.000 0.000 0.249 210 I C 1.883 178.123 176.117 0.206 0.000 1.102 210 I CA 1.136 62.556 61.300 0.200 0.000 1.365 210 I CB -0.404 37.729 38.000 0.222 0.000 1.051 210 I HN 0.055 nan 8.210 nan 0.000 0.420 211 F N 1.079 121.027 119.950 -0.003 0.000 2.084 211 F HA -0.129 4.398 4.527 -0.000 0.000 0.296 211 F C 2.481 178.274 175.800 -0.012 0.000 1.111 211 F CA 1.254 59.247 58.000 -0.011 0.000 1.224 211 F CB -0.823 38.154 39.000 -0.040 0.000 0.991 211 F HN -0.137 nan 8.300 nan 0.000 0.471 212 K N -0.726 119.745 120.400 0.118 0.000 2.173 212 K HA -0.226 4.093 4.320 -0.000 0.000 0.207 212 K C 1.645 178.238 176.600 -0.012 0.000 1.046 212 K CA 1.589 57.861 56.287 -0.023 0.000 0.929 212 K CB -0.314 32.084 32.500 -0.170 0.000 0.720 212 K HN 0.319 nan 8.250 nan 0.000 0.453 213 H N -0.217 118.875 119.070 0.037 0.000 2.548 213 H HA 0.163 4.719 4.556 -0.000 0.000 0.265 213 H C 0.545 175.823 175.328 -0.083 0.000 0.969 213 H CA 0.048 56.084 56.048 -0.021 0.000 1.155 213 H CB -0.090 29.671 29.762 -0.003 0.000 1.394 213 H HN 0.085 nan 8.280 nan 0.000 0.570 214 I N 1.661 122.243 120.570 0.019 0.000 2.815 214 I HA -0.120 4.050 4.170 -0.000 0.000 0.291 214 I C 1.220 177.147 176.117 -0.316 0.000 1.209 214 I CA 0.131 61.363 61.300 -0.113 0.000 1.431 214 I CB 0.484 38.423 38.000 -0.103 0.000 1.351 214 I HN 0.126 nan 8.210 nan 0.000 0.585 215 S N 4.631 120.146 115.700 -0.308 0.000 2.576 215 S HA 0.064 4.534 4.470 -0.000 0.000 0.272 215 S C 1.133 175.316 174.600 -0.695 0.000 1.352 215 S CA -0.759 57.211 58.200 -0.384 0.000 1.021 215 S CB 1.241 64.308 63.200 -0.222 0.000 0.887 215 S HN 0.379 nan 8.310 nan 0.000 0.542 216 V N 3.608 123.189 119.914 -0.556 0.000 2.343 216 V HA -0.107 4.013 4.120 -0.000 0.000 0.247 216 V C 2.455 178.378 176.094 -0.285 0.000 1.051 216 V CA 1.938 63.915 62.300 -0.539 0.000 1.036 216 V CB -0.827 30.846 31.823 -0.250 0.000 0.654 216 V HN 0.867 nan 8.190 nan 0.000 0.451 217 K N -0.487 119.805 120.400 -0.180 0.000 2.418 217 K HA -0.043 4.277 4.320 -0.000 0.000 0.195 217 K C 1.623 178.195 176.600 -0.047 0.000 1.035 217 K CA 0.628 56.872 56.287 -0.072 0.000 1.003 217 K CB -0.071 32.395 32.500 -0.057 0.000 0.793 217 K HN 0.435 nan 8.250 nan 0.000 0.494 218 D N 0.677 121.007 120.400 -0.117 0.000 2.162 218 D HA -0.048 4.592 4.640 -0.000 0.000 0.203 218 D C 1.607 177.940 176.300 0.056 0.000 0.967 218 D CA 0.780 54.744 54.000 -0.060 0.000 0.840 218 D CB -0.063 40.664 40.800 -0.123 0.000 0.972 218 D HN 0.089 nan 8.370 nan 0.000 0.482 219 F N 1.421 121.320 119.950 -0.086 0.000 2.014 219 F HA -0.297 4.230 4.527 -0.000 0.000 0.299 219 F C 2.729 178.553 175.800 0.041 0.000 1.224 219 F CA 1.137 59.075 58.000 -0.104 0.000 1.200 219 F CB -0.833 38.131 39.000 -0.060 0.000 0.948 219 F HN -0.072 nan 8.300 nan 0.000 0.520 220 T N 0.425 115.186 114.554 0.345 0.000 2.616 220 T HA -0.352 3.998 4.350 -0.000 0.000 0.261 220 T C 1.924 176.734 174.700 0.183 0.000 1.105 220 T CA 2.456 64.691 62.100 0.226 0.000 1.159 220 T CB -0.944 68.016 68.868 0.152 0.000 0.856 220 T HN 0.458 nan 8.240 nan 0.000 0.449 221 S N 1.397 117.181 115.700 0.140 0.000 2.380 221 S HA -0.102 4.368 4.470 -0.000 0.000 0.229 221 S C 0.923 175.635 174.600 0.186 0.000 1.043 221 S CA 0.873 59.147 58.200 0.123 0.000 1.038 221 S CB -0.804 62.445 63.200 0.082 0.000 0.872 221 S HN 0.469 nan 8.310 nan 0.000 0.456 222 L N 1.957 123.327 121.223 0.245 0.000 2.312 222 L HA 0.461 4.801 4.340 -0.000 0.000 0.281 222 L C 1.154 178.259 176.870 0.392 0.000 1.070 222 L CA -0.494 54.576 54.840 0.383 0.000 0.805 222 L CB 0.575 42.861 42.059 0.378 0.000 1.174 222 L HN 0.324 nan 8.230 nan 0.000 0.434 223 G N 3.344 112.315 108.800 0.286 0.000 2.467 223 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.283 223 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.283 223 G C -0.405 174.394 174.900 -0.169 0.000 0.615 223 G CA 0.357 45.477 45.100 0.033 0.000 2.098 223 G HN 0.278 nan 8.290 nan 0.000 0.546 224 F N -0.718 119.201 119.950 -0.050 0.000 2.849 224 F HA 0.582 5.109 4.527 -0.000 0.000 0.341 224 F C 0.050 175.841 175.800 -0.015 0.000 1.185 224 F CA -1.532 56.423 58.000 -0.076 0.000 1.007 224 F CB 2.122 41.033 39.000 -0.150 0.000 1.454 224 F HN 0.163 nan 8.300 nan 0.000 0.518 225 N N 0.030 118.845 118.700 0.192 0.000 2.599 225 N HA 0.119 4.859 4.740 -0.000 0.000 0.283 225 N C 0.137 175.710 175.510 0.106 0.000 1.160 225 N CA -0.150 52.970 53.050 0.116 0.000 0.869 225 N CB 1.109 39.646 38.487 0.082 0.000 1.448 225 N HN 0.667 nan 8.380 nan 0.000 0.535 226 E N 1.863 122.147 120.200 0.140 0.000 2.236 226 E HA -0.237 4.113 4.350 -0.000 0.000 0.205 226 E C 0.435 177.117 176.600 0.137 0.000 1.028 226 E CA 1.871 58.385 56.400 0.189 0.000 0.827 226 E CB 0.260 30.069 29.700 0.182 0.000 0.735 226 E HN 0.512 nan 8.360 nan 0.000 0.470 227 V N -1.130 118.770 119.914 -0.023 0.000 2.922 227 V HA -0.002 4.118 4.120 -0.000 0.000 0.242 227 V C 1.665 177.813 176.094 0.090 0.000 1.094 227 V CA 0.901 63.145 62.300 -0.094 0.000 1.106 227 V CB -0.277 31.204 31.823 -0.570 0.000 0.799 227 V HN 0.236 nan 8.190 nan 0.000 0.474 228 F N 0.949 120.993 119.950 0.157 0.000 2.622 228 F HA 0.236 4.763 4.527 -0.000 0.000 0.288 228 F C 0.964 176.820 175.800 0.093 0.000 1.120 228 F CA 0.430 58.453 58.000 0.039 0.000 1.423 228 F CB 0.584 39.580 39.000 -0.007 0.000 1.127 228 F HN 0.242 nan 8.300 nan 0.000 0.588 229 S N 0.515 116.487 115.700 0.454 0.000 2.385 229 S HA 0.403 4.872 4.470 -0.000 0.000 0.191 229 S C -0.844 174.038 174.600 0.469 0.000 1.196 229 S CA -0.855 57.635 58.200 0.484 0.000 1.178 229 S CB 0.519 63.822 63.200 0.171 0.000 1.258 229 S HN 0.085 nan 8.310 nan 0.000 0.430 230 R N 2.569 123.295 120.500 0.377 0.000 2.308 230 R HA 0.345 4.685 4.340 -0.000 0.000 0.305 230 R C -1.951 174.137 176.300 -0.354 0.000 1.053 230 R CA -2.168 53.531 56.100 -0.669 0.000 0.957 230 R CB 0.548 29.960 30.300 -1.480 0.000 1.022 230 R HN 0.288 nan 8.270 nan 0.000 0.461 231 P HA -0.320 nan 4.420 nan 0.000 0.217 231 P C 0.831 178.147 177.300 0.027 0.000 1.158 231 P CA 1.590 64.464 63.100 -0.378 0.000 0.887 231 P CB 0.083 31.338 31.700 -0.740 0.000 0.792 232 E N -1.685 118.461 120.200 -0.089 0.000 2.339 232 E HA -0.226 4.123 4.350 -0.000 0.000 0.201 232 E C 1.232 177.809 176.600 -0.039 0.000 1.015 232 E CA 0.985 57.343 56.400 -0.070 0.000 0.841 232 E CB -0.982 28.607 29.700 -0.186 0.000 0.754 232 E HN 0.360 nan 8.360 nan 0.000 0.508 233 W N 0.462 121.791 121.300 0.048 0.000 3.003 233 W HA 0.254 4.914 4.660 -0.000 0.000 0.257 233 W C 1.756 178.344 176.519 0.114 0.000 1.308 233 W CA 0.023 57.413 57.345 0.075 0.000 1.529 233 W CB -0.238 29.271 29.460 0.081 0.000 1.115 233 W HN 0.152 nan 8.180 nan 0.000 0.659 234 M N -0.250 119.543 119.600 0.322 0.000 2.549 234 M HA -0.042 4.438 4.480 -0.000 0.000 0.260 234 M C 0.412 176.899 176.300 0.313 0.000 1.076 234 M CA 1.210 56.743 55.300 0.388 0.000 1.090 234 M CB -0.237 32.484 32.600 0.201 0.000 1.418 234 M HN -0.319 nan 8.290 nan 0.000 0.486 235 I N 1.255 121.947 120.570 0.204 0.000 2.354 235 I HA 0.232 4.402 4.170 -0.000 0.000 0.292 235 I C -0.420 175.798 176.117 0.169 0.000 0.989 235 I CA -0.634 60.780 61.300 0.190 0.000 1.188 235 I CB 1.526 39.587 38.000 0.101 0.000 1.342 235 I HN 0.018 nan 8.210 nan 0.000 0.457 236 L N 6.484 127.796 121.223 0.148 0.000 2.313 236 L HA 0.292 4.632 4.340 -0.000 0.000 0.282 236 L C 0.691 177.615 176.870 0.090 0.000 1.092 236 L CA -0.019 54.885 54.840 0.107 0.000 0.831 236 L CB 0.613 42.725 42.059 0.089 0.000 1.159 236 L HN 0.698 nan 8.230 nan 0.000 0.442 237 T N 0.155 114.768 114.554 0.098 0.000 3.026 237 T HA 0.046 4.396 4.350 -0.000 0.000 0.245 237 T C 0.217 174.962 174.700 0.075 0.000 1.004 237 T CA 0.127 62.277 62.100 0.084 0.000 1.069 237 T CB 0.401 69.332 68.868 0.105 0.000 1.005 237 T HN 0.613 nan 8.240 nan 0.000 0.472 238 C N 2.105 121.455 119.300 0.083 0.000 2.455 238 C HA 0.817 5.277 4.460 -0.000 0.000 0.320 238 C C -1.394 173.627 174.990 0.052 0.000 1.226 238 C CA -1.135 57.930 59.018 0.079 0.000 1.569 238 C CB 0.313 28.116 27.740 0.105 0.000 2.200 238 C HN 0.421 nan 8.230 nan 0.000 0.491 239 L N 8.687 129.937 121.223 0.044 0.000 2.294 239 L HA 0.569 4.909 4.340 -0.000 0.000 0.283 239 L C -2.008 174.896 176.870 0.057 0.000 1.015 239 L CA -1.878 52.986 54.840 0.040 0.000 0.831 239 L CB 1.586 43.658 42.059 0.021 0.000 1.217 239 L HN 0.549 nan 8.230 nan 0.000 0.420 240 P HA -0.009 nan 4.420 nan 0.000 0.265 240 P C -0.805 176.613 177.300 0.196 0.000 1.193 240 P CA 0.059 63.234 63.100 0.126 0.000 0.765 240 P CB 0.883 32.602 31.700 0.030 0.000 0.823 241 V N 5.973 125.978 119.914 0.151 0.000 2.257 241 V HA 0.192 4.312 4.120 -0.000 0.000 0.269 241 V C -1.740 174.195 176.094 -0.267 0.000 1.040 241 V CA -2.038 60.256 62.300 -0.009 0.000 0.813 241 V CB 0.756 32.568 31.823 -0.019 0.000 1.065 241 V HN 0.559 nan 8.190 nan 0.000 0.457 242 P HA 0.078 nan 4.420 nan 0.000 0.261 242 P C -2.535 174.509 177.300 -0.426 0.000 1.173 242 P CA -0.658 62.032 63.100 -0.683 0.000 0.760 242 P CB 0.150 31.686 31.700 -0.272 0.000 0.783 243 P HA 0.122 nan 4.420 nan 0.000 0.275 243 P C -1.707 175.494 177.300 -0.165 0.000 1.228 243 P CA -1.708 61.243 63.100 -0.247 0.000 0.786 243 P CB -0.131 31.427 31.700 -0.237 0.000 0.927 244 P HA -0.224 nan 4.420 nan 0.000 0.224 244 P C -1.187 176.062 177.300 -0.085 0.000 1.130 244 P CA 2.894 65.944 63.100 -0.083 0.000 0.976 244 P CB -2.465 29.198 31.700 -0.062 0.000 0.781 245 P HA -0.112 nan 4.420 nan 0.000 0.222 245 P C 1.523 178.783 177.300 -0.067 0.000 1.139 245 P CA 1.064 64.122 63.100 -0.070 0.000 0.790 245 P CB -0.392 31.266 31.700 -0.070 0.000 0.757 246 V N -0.830 119.034 119.914 -0.083 0.000 2.949 246 V HA 0.006 4.126 4.120 -0.000 0.000 0.245 246 V C 1.433 177.491 176.094 -0.060 0.000 1.086 246 V CA 1.027 63.287 62.300 -0.067 0.000 1.097 246 V CB -0.471 31.300 31.823 -0.086 0.000 0.762 246 V HN 0.191 nan 8.190 nan 0.000 0.470 247 R N 1.235 121.694 120.500 -0.070 0.000 2.782 247 R HA 0.343 4.683 4.340 -0.000 0.000 0.293 247 R C -2.902 173.350 176.300 -0.079 0.000 1.333 247 R CA -1.395 54.664 56.100 -0.068 0.000 1.479 247 R CB 0.017 30.285 30.300 -0.054 0.000 1.306 247 R HN 0.248 nan 8.270 nan 0.000 0.654 248 P HA -0.060 nan 4.420 nan 0.000 0.271 248 P C 0.032 177.275 177.300 -0.095 0.000 1.238 248 P CA 0.200 63.253 63.100 -0.078 0.000 0.794 248 P CB 1.160 32.819 31.700 -0.067 0.000 0.959 249 S N 0.594 116.233 115.700 -0.101 0.000 2.448 249 S HA 0.640 5.110 4.470 -0.000 0.000 0.271 249 S C 0.203 174.714 174.600 -0.149 0.000 1.145 249 S CA -0.653 57.470 58.200 -0.128 0.000 1.022 249 S CB 0.348 63.474 63.200 -0.124 0.000 1.202 249 S HN 0.482 nan 8.310 nan 0.000 0.479 250 I N 1.339 121.775 120.570 -0.223 0.000 2.672 250 I HA 0.144 4.314 4.170 -0.000 0.000 0.274 250 I C -1.079 174.674 176.117 -0.608 0.000 1.349 250 I CA -0.245 60.873 61.300 -0.303 0.000 1.149 250 I CB 1.840 39.708 38.000 -0.221 0.000 1.435 250 I HN 0.784 nan 8.210 nan 0.000 0.444 251 S N 4.572 119.989 115.700 -0.471 0.000 2.480 251 S HA 0.604 5.074 4.470 -0.000 0.000 0.286 251 S C -0.369 173.956 174.600 -0.459 0.000 1.180 251 S CA -0.538 57.353 58.200 -0.516 0.000 1.075 251 S CB 0.731 63.792 63.200 -0.231 0.000 0.996 251 S HN 0.409 nan 8.310 nan 0.000 0.487 252 F N 3.076 123.026 119.950 -0.001 0.000 2.759 252 F HA 0.394 4.921 4.527 -0.000 0.000 0.322 252 F C 1.223 177.024 175.800 0.001 0.000 1.199 252 F CA -0.788 57.212 58.000 0.000 0.000 1.272 252 F CB -0.898 38.103 39.000 0.002 0.000 1.467 252 F HN 0.698 nan 8.300 nan 0.000 0.561 253 N N 0.222 118.963 118.700 0.069 0.000 3.615 253 N HA -0.229 4.511 4.740 -0.000 0.000 0.237 253 N C 0.677 176.194 175.510 0.013 0.000 0.402 253 N CA 1.536 54.611 53.050 0.041 0.000 2.423 253 N CB -0.541 37.984 38.487 0.064 0.000 1.620 253 N HN 0.439 nan 8.380 nan 0.000 0.320 254 E N 0.367 120.586 120.200 0.032 0.000 4.286 254 E HA 0.240 4.589 4.350 -0.000 0.000 0.240 254 E C -0.100 176.520 176.600 0.034 0.000 1.038 254 E CA 0.321 56.731 56.400 0.017 0.000 1.074 254 E CB -0.002 29.707 29.700 0.015 0.000 2.386 254 E HN 0.441 nan 8.360 nan 0.000 0.487 255 S N 1.415 117.136 115.700 0.035 0.000 3.286 255 S HA -0.222 4.247 4.470 -0.000 0.000 0.145 255 S C 0.056 174.696 174.600 0.068 0.000 0.367 255 S CA 0.836 59.061 58.200 0.042 0.000 1.599 255 S CB -0.898 62.323 63.200 0.036 0.000 0.797 255 S HN 0.290 nan 8.310 nan 0.000 0.338 256 Q N -0.104 119.743 119.800 0.077 0.000 2.834 256 Q HA 0.562 4.901 4.340 -0.000 0.000 0.381 256 Q C 0.112 176.163 176.000 0.085 0.000 0.691 256 Q CA -1.264 54.617 55.803 0.130 0.000 0.899 256 Q CB 1.110 30.015 28.738 0.278 0.000 1.163 256 Q HN 0.398 nan 8.270 nan 0.000 0.475 257 R N -1.348 119.218 120.500 0.111 0.000 3.096 257 R HA 0.725 5.065 4.340 -0.000 0.000 0.138 257 R C -0.227 176.009 176.300 -0.108 0.000 1.088 257 R CA -0.085 56.039 56.100 0.040 0.000 0.652 257 R CB 0.661 31.030 30.300 0.115 0.000 1.179 257 R HN 0.792 nan 8.270 nan 0.000 0.404 258 G N 0.656 109.420 108.800 -0.061 0.000 2.407 258 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.210 258 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.210 258 G C -0.478 174.341 174.900 -0.136 0.000 1.015 258 G CA -0.565 44.428 45.100 -0.179 0.000 0.807 258 G HN 0.176 nan 8.290 nan 0.000 0.539 259 E N 1.086 121.232 120.200 -0.091 0.000 2.404 259 E HA 0.250 4.600 4.350 -0.000 0.000 0.261 259 E C -0.301 176.067 176.600 -0.386 0.000 1.074 259 E CA -0.152 56.139 56.400 -0.182 0.000 0.917 259 E CB 1.063 30.729 29.700 -0.056 0.000 0.965 259 E HN 0.358 nan 8.360 nan 0.000 0.433 260 D N 0.975 121.155 120.400 -0.366 0.000 2.210 260 D HA 0.030 4.670 4.640 -0.000 0.000 0.249 260 D C 0.288 176.302 176.300 -0.476 0.000 1.062 260 D CA -0.388 53.402 54.000 -0.351 0.000 0.891 260 D CB 1.009 41.696 40.800 -0.188 0.000 1.186 260 D HN 0.193 nan 8.370 nan 0.000 0.432 261 D N 2.059 122.244 120.400 -0.359 0.000 2.355 261 D HA -0.258 4.382 4.640 -0.000 0.000 0.192 261 D C 2.005 178.238 176.300 -0.111 0.000 1.014 261 D CA 1.960 55.818 54.000 -0.236 0.000 0.862 261 D CB -0.032 40.713 40.800 -0.092 0.000 0.986 261 D HN 0.411 nan 8.370 nan 0.000 0.456 262 L N 0.003 121.202 121.223 -0.039 0.000 1.978 262 L HA -0.268 4.072 4.340 -0.000 0.000 0.218 262 L C 2.488 179.395 176.870 0.063 0.000 1.075 262 L CA 1.826 56.713 54.840 0.078 0.000 0.767 262 L CB -1.038 41.076 42.059 0.092 0.000 0.890 262 L HN 0.158 nan 8.230 nan 0.000 0.434 263 T N -0.462 114.087 114.554 -0.010 0.000 2.932 263 T HA -0.221 4.128 4.350 -0.000 0.000 0.269 263 T C 1.484 176.314 174.700 0.218 0.000 1.131 263 T CA 1.366 63.488 62.100 0.036 0.000 1.107 263 T CB -0.332 68.525 68.868 -0.018 0.000 0.824 263 T HN 0.266 nan 8.240 nan 0.000 0.552 264 F N 0.446 120.380 119.950 -0.027 0.000 2.243 264 F HA 0.084 4.611 4.527 -0.000 0.000 0.287 264 F C 2.314 178.059 175.800 -0.092 0.000 1.067 264 F CA 0.077 58.050 58.000 -0.045 0.000 1.304 264 F CB 0.068 39.052 39.000 -0.027 0.000 1.087 264 F HN -0.056 nan 8.300 nan 0.000 0.513 265 K N 0.983 121.458 120.400 0.124 0.000 2.211 265 K HA -0.137 4.183 4.320 -0.000 0.000 0.204 265 K C 1.753 178.248 176.600 -0.174 0.000 1.047 265 K CA 0.909 57.163 56.287 -0.054 0.000 0.935 265 K CB -0.536 31.998 32.500 0.056 0.000 0.728 265 K HN 0.269 nan 8.250 nan 0.000 0.452 266 L N -0.483 120.652 121.223 -0.147 0.000 2.023 266 L HA -0.111 4.229 4.340 -0.000 0.000 0.205 266 L C 2.369 179.174 176.870 -0.109 0.000 1.073 266 L CA 1.220 55.930 54.840 -0.217 0.000 0.745 266 L CB -0.812 41.149 42.059 -0.164 0.000 0.900 266 L HN 0.181 nan 8.230 nan 0.000 0.435 267 A N 0.201 123.002 122.820 -0.032 0.000 1.915 267 A HA -0.314 4.006 4.320 -0.000 0.000 0.220 267 A C 1.943 179.494 177.584 -0.055 0.000 1.198 267 A CA 2.440 54.463 52.037 -0.024 0.000 0.647 267 A CB -0.699 18.298 19.000 -0.005 0.000 0.825 267 A HN 0.426 nan 8.150 nan 0.000 0.456 268 D N -0.303 120.035 120.400 -0.104 0.000 2.077 268 D HA -0.102 4.538 4.640 -0.000 0.000 0.197 268 D C 2.002 178.318 176.300 0.027 0.000 0.983 268 D CA 1.330 55.267 54.000 -0.104 0.000 0.841 268 D CB -0.496 39.990 40.800 -0.524 0.000 0.992 268 D HN 0.470 nan 8.370 nan 0.000 0.450 269 I N 0.835 121.385 120.570 -0.034 0.000 2.147 269 I HA -0.316 3.854 4.170 -0.000 0.000 0.245 269 I C 2.403 178.529 176.117 0.015 0.000 1.059 269 I CA 0.755 62.076 61.300 0.035 0.000 1.320 269 I CB -0.268 37.670 38.000 -0.102 0.000 1.021 269 I HN 0.091 nan 8.210 nan 0.000 0.415 270 L N 0.998 122.203 121.223 -0.030 0.000 1.932 270 L HA -0.249 4.091 4.340 -0.000 0.000 0.217 270 L C 2.433 179.300 176.870 -0.004 0.000 1.077 270 L CA 1.967 56.791 54.840 -0.027 0.000 0.765 270 L CB -1.119 40.922 42.059 -0.029 0.000 0.888 270 L HN 0.142 nan 8.230 nan 0.000 0.433 271 K N -0.553 119.849 120.400 0.003 0.000 2.005 271 K HA -0.315 4.005 4.320 -0.000 0.000 0.229 271 K C 1.903 178.518 176.600 0.024 0.000 1.050 271 K CA 2.311 58.604 56.287 0.010 0.000 0.994 271 K CB -0.884 31.629 32.500 0.021 0.000 0.736 271 K HN 0.540 nan 8.250 nan 0.000 0.448 272 A N 1.240 124.103 122.820 0.072 0.000 2.093 272 A HA -0.294 4.026 4.320 -0.000 0.000 0.222 272 A C 1.870 179.471 177.584 0.028 0.000 1.162 272 A CA 2.296 54.369 52.037 0.061 0.000 0.655 272 A CB -0.787 18.284 19.000 0.117 0.000 0.805 272 A HN 0.481 nan 8.150 nan 0.000 0.461 273 N N -0.253 118.460 118.700 0.022 0.000 2.124 273 N HA -0.024 4.716 4.740 -0.000 0.000 0.188 273 N C 1.560 177.065 175.510 -0.009 0.000 1.045 273 N CA 1.535 54.587 53.050 0.003 0.000 0.846 273 N CB -0.299 38.184 38.487 -0.007 0.000 1.020 273 N HN 0.436 nan 8.380 nan 0.000 0.432 274 I N 0.604 121.162 120.570 -0.020 0.000 2.068 274 I HA -0.387 3.783 4.170 -0.000 0.000 0.238 274 I C 2.480 178.584 176.117 -0.022 0.000 1.046 274 I CA 1.740 63.021 61.300 -0.032 0.000 1.306 274 I CB -0.899 37.068 38.000 -0.054 0.000 1.023 274 I HN 0.367 nan 8.210 nan 0.000 0.399 275 S N 1.372 117.060 115.700 -0.020 0.000 2.393 275 S HA -0.307 4.162 4.470 -0.000 0.000 0.234 275 S C 1.998 176.588 174.600 -0.016 0.000 1.064 275 S CA 1.981 60.170 58.200 -0.018 0.000 1.088 275 S CB -1.072 62.119 63.200 -0.016 0.000 0.939 275 S HN 0.379 nan 8.310 nan 0.000 0.448 276 L N 2.030 123.245 121.223 -0.014 0.000 1.943 276 L HA -0.096 4.244 4.340 -0.000 0.000 0.215 276 L C 2.721 179.583 176.870 -0.013 0.000 1.074 276 L CA 2.711 57.541 54.840 -0.016 0.000 0.759 276 L CB -1.220 40.831 42.059 -0.013 0.000 0.888 276 L HN 0.591 nan 8.230 nan 0.000 0.433 277 E N -1.181 119.019 120.200 -0.000 0.000 2.113 277 E HA -0.329 4.021 4.350 -0.000 0.000 0.210 277 E C 1.542 178.176 176.600 0.056 0.000 1.040 277 E CA 2.329 58.749 56.400 0.033 0.000 0.847 277 E CB -0.314 29.410 29.700 0.040 0.000 0.755 277 E HN 0.610 nan 8.360 nan 0.000 0.459 278 T N 0.820 115.390 114.554 0.028 0.000 3.320 278 T HA 0.015 4.365 4.350 -0.000 0.000 0.258 278 T C 1.385 176.090 174.700 0.009 0.000 1.176 278 T CA 0.323 62.439 62.100 0.028 0.000 1.037 278 T CB 0.002 68.869 68.868 -0.003 0.000 0.958 278 T HN 0.192 nan 8.240 nan 0.000 0.545 279 L N -0.235 120.980 121.223 -0.014 0.000 2.500 279 L HA 0.241 4.581 4.340 -0.000 0.000 0.219 279 L C 2.054 178.875 176.870 -0.082 0.000 1.057 279 L CA 0.563 55.377 54.840 -0.043 0.000 0.854 279 L CB 0.062 42.093 42.059 -0.046 0.000 1.078 279 L HN 0.203 nan 8.230 nan 0.000 0.480 280 E N -0.532 119.594 120.200 -0.124 0.000 2.494 280 E HA -0.029 4.321 4.350 -0.000 0.000 0.193 280 E C 0.292 176.644 176.600 -0.415 0.000 1.074 280 E CA 0.270 56.518 56.400 -0.253 0.000 0.867 280 E CB 0.275 29.800 29.700 -0.291 0.000 0.924 280 E HN 0.428 nan 8.360 nan 0.000 0.502 281 H N -0.566 118.479 119.070 -0.041 0.000 2.750 281 H HA 0.340 4.896 4.556 -0.000 0.000 0.252 281 H C -0.106 175.196 175.328 -0.042 0.000 1.176 281 H CA -0.138 55.887 56.048 -0.038 0.000 0.987 281 H CB 0.447 30.190 29.762 -0.032 0.000 1.810 281 H HN 0.031 nan 8.280 nan 0.000 0.630 282 N N -0.773 117.937 118.700 0.018 0.000 3.522 282 N HA 0.121 4.861 4.740 -0.000 0.000 0.328 282 N C 0.247 175.726 175.510 -0.051 0.000 1.623 282 N CA -0.438 52.607 53.050 -0.008 0.000 0.812 282 N CB 0.645 39.130 38.487 -0.005 0.000 2.008 282 N HN 0.176 nan 8.380 nan 0.000 0.601 283 G N 0.428 109.198 108.800 -0.051 0.000 2.515 283 G HA2 0.315 4.275 3.960 -0.000 0.000 0.290 283 G HA3 0.315 4.275 3.960 -0.000 0.000 0.290 283 G C -0.049 174.792 174.900 -0.099 0.000 0.795 283 G CA 0.194 45.251 45.100 -0.071 0.000 1.866 283 G HN 0.529 nan 8.290 nan 0.000 0.476 284 A N 5.610 128.340 122.820 -0.150 0.000 2.910 284 A HA 0.542 4.862 4.320 -0.000 0.000 0.316 284 A C -1.366 176.051 177.584 -0.278 0.000 1.493 284 A CA -1.439 50.479 52.037 -0.199 0.000 1.150 284 A CB 0.485 19.345 19.000 -0.234 0.000 1.159 284 A HN 0.489 nan 8.150 nan 0.000 0.526 285 P HA -0.025 nan 4.420 nan 0.000 0.235 285 P C 0.671 177.899 177.300 -0.120 0.000 1.720 285 P CA 0.143 63.158 63.100 -0.142 0.000 1.003 285 P CB -0.446 31.216 31.700 -0.062 0.000 1.968 286 H N 1.045 120.009 119.070 -0.178 0.000 1.453 286 H HA -0.246 4.310 4.556 -0.000 0.000 0.090 286 H C 0.534 175.644 175.328 -0.364 0.000 1.310 286 H CA 2.241 58.077 56.048 -0.354 0.000 1.901 286 H CB -1.347 28.086 29.762 -0.549 0.000 2.257 286 H HN 0.609 nan 8.280 nan 0.000 0.961 287 H N -0.273 118.873 119.070 0.127 0.000 2.539 287 H HA 0.589 5.145 4.556 -0.000 0.000 0.293 287 H C 0.823 176.166 175.328 0.024 0.000 1.156 287 H CA 0.660 56.742 56.048 0.055 0.000 1.012 287 H CB 0.175 29.962 29.762 0.042 0.000 1.600 287 H HN 0.475 nan 8.280 nan 0.000 0.538 288 A N 0.021 122.889 122.820 0.079 0.000 2.545 288 A HA 0.268 4.588 4.320 -0.000 0.000 0.263 288 A C 1.605 179.199 177.584 0.017 0.000 1.202 288 A CA -0.134 51.926 52.037 0.038 0.000 0.959 288 A CB 0.209 19.215 19.000 0.010 0.000 1.124 288 A HN 0.284 nan 8.150 nan 0.000 0.543 289 I N 0.045 120.632 120.570 0.028 0.000 2.729 289 I HA -0.067 4.103 4.170 -0.000 0.000 0.256 289 I C 1.958 178.088 176.117 0.022 0.000 1.115 289 I CA 0.809 62.115 61.300 0.010 0.000 1.446 289 I CB 0.003 38.003 38.000 -0.000 0.000 1.176 289 I HN 0.496 nan 8.210 nan 0.000 0.446 290 E N 1.356 121.591 120.200 0.058 0.000 2.527 290 E HA -0.175 4.175 4.350 -0.000 0.000 0.204 290 E C 0.850 177.457 176.600 0.013 0.000 1.132 290 E CA 0.625 57.049 56.400 0.040 0.000 0.905 290 E CB -0.261 29.477 29.700 0.065 0.000 0.875 290 E HN 0.588 nan 8.360 nan 0.000 0.548 291 E N -0.002 120.202 120.200 0.007 0.000 2.473 291 E HA 0.166 4.516 4.350 -0.000 0.000 0.204 291 E C 1.194 177.775 176.600 -0.031 0.000 0.994 291 E CA 0.411 56.803 56.400 -0.012 0.000 0.945 291 E CB 0.746 30.442 29.700 -0.006 0.000 0.990 291 E HN 0.353 nan 8.360 nan 0.000 0.493 292 A N 0.530 123.335 122.820 -0.025 0.000 2.508 292 A HA 0.115 4.435 4.320 -0.000 0.000 0.250 292 A C 1.429 178.995 177.584 -0.029 0.000 1.208 292 A CA -0.249 51.767 52.037 -0.036 0.000 0.960 292 A CB 0.365 19.347 19.000 -0.030 0.000 1.099 292 A HN 0.040 nan 8.150 nan 0.000 0.542 293 E N 0.434 120.621 120.200 -0.022 0.000 2.431 293 E HA -0.045 4.305 4.350 -0.000 0.000 0.200 293 E C 1.601 178.188 176.600 -0.022 0.000 0.995 293 E CA 0.985 57.373 56.400 -0.020 0.000 0.915 293 E CB 0.281 29.971 29.700 -0.017 0.000 0.930 293 E HN 0.638 nan 8.360 nan 0.000 0.496 294 S N 0.416 116.101 115.700 -0.024 0.000 2.446 294 S HA -0.095 4.375 4.470 -0.000 0.000 0.225 294 S C 1.971 176.572 174.600 0.003 0.000 1.016 294 S CA 0.174 58.367 58.200 -0.012 0.000 0.943 294 S CB -0.159 63.029 63.200 -0.021 0.000 0.786 294 S HN 0.206 nan 8.310 nan 0.000 0.508 295 L N 0.907 122.103 121.223 -0.046 0.000 2.083 295 L HA 0.157 4.497 4.340 -0.000 0.000 0.209 295 L C 2.181 179.036 176.870 -0.024 0.000 1.083 295 L CA 1.321 56.101 54.840 -0.100 0.000 0.752 295 L CB -0.739 41.233 42.059 -0.144 0.000 0.899 295 L HN 0.364 nan 8.230 nan 0.000 0.433 296 L N -0.590 120.640 121.223 0.012 0.000 2.005 296 L HA -0.179 4.161 4.340 -0.000 0.000 0.207 296 L C 2.576 179.500 176.870 0.091 0.000 1.072 296 L CA 2.004 56.878 54.840 0.057 0.000 0.744 296 L CB -0.902 41.175 42.059 0.030 0.000 0.895 296 L HN 0.473 nan 8.230 nan 0.000 0.433 297 Q N -0.947 118.891 119.800 0.063 0.000 2.197 297 Q HA -0.293 4.047 4.340 -0.000 0.000 0.207 297 Q C 2.020 178.102 176.000 0.136 0.000 0.984 297 Q CA 2.335 58.179 55.803 0.068 0.000 0.869 297 Q CB -0.695 28.052 28.738 0.015 0.000 0.906 297 Q HN 0.550 nan 8.270 nan 0.000 0.426 298 F N -0.284 119.666 119.950 -0.001 0.000 2.022 298 F HA -0.140 4.387 4.527 -0.000 0.000 0.293 298 F C 2.067 177.936 175.800 0.116 0.000 1.142 298 F CA 2.300 60.311 58.000 0.019 0.000 1.177 298 F CB -0.739 38.217 39.000 -0.074 0.000 0.982 298 F HN 0.236 nan 8.300 nan 0.000 0.473 299 H N -0.747 118.432 119.070 0.182 0.000 2.265 299 H HA -0.195 4.361 4.556 -0.000 0.000 0.295 299 H C 2.144 177.464 175.328 -0.015 0.000 1.084 299 H CA 1.673 57.738 56.048 0.028 0.000 1.261 299 H CB -0.527 29.317 29.762 0.137 0.000 1.360 299 H HN 0.161 nan 8.280 nan 0.000 0.487 300 V N 0.829 120.844 119.914 0.169 0.000 3.140 300 V HA -0.254 3.866 4.120 -0.000 0.000 0.269 300 V C 2.015 178.204 176.094 0.157 0.000 1.149 300 V CA 1.235 63.619 62.300 0.139 0.000 1.162 300 V CB -0.903 30.984 31.823 0.107 0.000 0.756 300 V HN 0.510 nan 8.190 nan 0.000 0.523 301 A N -0.920 121.938 122.820 0.063 0.000 1.919 301 A HA -0.050 4.270 4.320 -0.000 0.000 0.211 301 A C 2.298 179.851 177.584 -0.053 0.000 1.310 301 A CA 1.325 53.365 52.037 0.005 0.000 0.651 301 A CB -0.869 18.110 19.000 -0.035 0.000 0.996 301 A HN 0.323 nan 8.150 nan 0.000 0.479 302 T N -0.962 113.467 114.554 -0.209 0.000 2.822 302 T HA -0.209 4.141 4.350 -0.000 0.000 0.270 302 T C 1.666 176.351 174.700 -0.024 0.000 1.064 302 T CA 1.980 63.951 62.100 -0.215 0.000 1.131 302 T CB -0.500 68.071 68.868 -0.495 0.000 0.858 302 T HN 0.538 nan 8.240 nan 0.000 0.483 303 Y N 0.822 121.069 120.300 -0.088 0.000 2.224 303 Y HA -0.085 4.465 4.550 -0.000 0.000 0.289 303 Y C 1.977 177.870 175.900 -0.012 0.000 1.146 303 Y CA 1.457 59.534 58.100 -0.038 0.000 1.182 303 Y CB -0.294 38.158 38.460 -0.013 0.000 0.983 303 Y HN 0.248 nan 8.280 nan 0.000 0.524 304 M N -1.045 118.501 119.600 -0.091 0.000 2.412 304 M HA 0.050 4.530 4.480 -0.000 0.000 0.263 304 M C -0.137 176.115 176.300 -0.081 0.000 1.122 304 M CA 0.863 56.055 55.300 -0.180 0.000 1.179 304 M CB 0.254 32.812 32.600 -0.069 0.000 1.335 304 M HN 0.001 nan 8.290 nan 0.000 0.465 305 D N -0.091 120.276 120.400 -0.054 0.000 2.787 305 D HA 0.221 4.861 4.640 -0.000 0.000 0.246 305 D C -1.164 175.102 176.300 -0.056 0.000 1.150 305 D CA -0.067 53.906 54.000 -0.044 0.000 0.864 305 D CB 1.380 42.168 40.800 -0.020 0.000 1.481 305 D HN -0.082 nan 8.370 nan 0.000 0.509 306 N N 2.361 121.034 118.700 -0.046 0.000 2.305 306 N HA 0.100 4.840 4.740 -0.000 0.000 0.248 306 N C -1.221 174.280 175.510 -0.015 0.000 1.290 306 N CA -0.090 52.938 53.050 -0.037 0.000 0.873 306 N CB 0.610 39.082 38.487 -0.025 0.000 1.261 306 N HN 0.330 nan 8.380 nan 0.000 0.504 307 D N 1.081 121.471 120.400 -0.018 0.000 2.886 307 D HA 0.250 4.890 4.640 -0.000 0.000 0.355 307 D C 0.473 176.771 176.300 -0.004 0.000 1.274 307 D CA -0.111 53.884 54.000 -0.009 0.000 0.836 307 D CB 1.081 41.868 40.800 -0.021 0.000 1.109 307 D HN 0.280 nan 8.370 nan 0.000 0.488 308 I N -0.247 120.328 120.570 0.008 0.000 3.562 308 I HA 0.327 4.497 4.170 -0.000 0.000 0.285 308 I C 1.830 177.963 176.117 0.026 0.000 1.211 308 I CA -0.664 60.646 61.300 0.017 0.000 0.887 308 I CB 0.683 38.699 38.000 0.026 0.000 1.581 308 I HN -0.044 nan 8.210 nan 0.000 0.735 309 A N 0.981 123.820 122.820 0.032 0.000 1.887 309 A HA 0.167 4.487 4.320 -0.000 0.000 0.212 309 A C 1.628 179.239 177.584 0.045 0.000 1.198 309 A CA 0.857 52.914 52.037 0.033 0.000 0.628 309 A CB -1.036 17.983 19.000 0.031 0.000 0.847 309 A HN 0.841 nan 8.150 nan 0.000 0.449 310 G N 0.196 109.031 108.800 0.059 0.000 2.734 310 G HA2 0.313 4.273 3.960 -0.000 0.000 0.287 310 G HA3 0.313 4.273 3.960 -0.000 0.000 0.287 310 G C 0.519 175.469 174.900 0.085 0.000 0.728 310 G CA 0.213 45.356 45.100 0.072 0.000 1.999 310 G HN 0.594 nan 8.290 nan 0.000 0.535 311 Q N 1.069 120.909 119.800 0.066 0.000 2.463 311 Q HA -0.256 4.084 4.340 -0.000 0.000 0.231 311 Q C -0.986 175.071 176.000 0.095 0.000 1.097 311 Q CA 2.019 57.862 55.803 0.067 0.000 0.992 311 Q CB -1.695 27.073 28.738 0.051 0.000 0.999 311 Q HN 0.476 nan 8.270 nan 0.000 0.536 312 P HA -0.201 nan 4.420 nan 0.000 0.220 312 P C -0.342 177.085 177.300 0.211 0.000 1.000 312 P CA 1.005 64.198 63.100 0.155 0.000 0.905 312 P CB -0.048 31.759 31.700 0.179 0.000 0.858 313 Q N 2.706 122.598 119.800 0.153 0.000 2.488 313 Q HA 0.012 4.352 4.340 -0.000 0.000 0.211 313 Q C 1.115 177.223 176.000 0.180 0.000 0.967 313 Q CA 0.842 56.726 55.803 0.134 0.000 0.926 313 Q CB -0.059 28.731 28.738 0.088 0.000 0.992 313 Q HN 0.616 nan 8.270 nan 0.000 0.506 314 A N 0.602 123.599 122.820 0.295 0.000 2.800 314 A HA -0.190 4.130 4.320 -0.000 0.000 0.292 314 A C 0.052 177.765 177.584 0.215 0.000 1.474 314 A CA 0.158 52.421 52.037 0.376 0.000 0.744 314 A CB -2.291 16.919 19.000 0.350 0.000 1.044 314 A HN 0.384 nan 8.150 nan 0.000 0.489 315 L N -0.057 121.261 121.223 0.159 0.000 2.485 315 L HA 0.133 4.473 4.340 -0.000 0.000 0.275 315 L C 1.145 178.086 176.870 0.117 0.000 1.207 315 L CA 0.444 55.352 54.840 0.114 0.000 0.855 315 L CB 0.503 42.613 42.059 0.085 0.000 1.114 315 L HN 0.713 nan 8.230 nan 0.000 0.485 316 Q N 4.022 123.886 119.800 0.107 0.000 2.278 316 Q HA 0.135 4.475 4.340 -0.000 0.000 0.257 316 Q C -0.547 175.507 176.000 0.091 0.000 0.928 316 Q CA -0.788 55.083 55.803 0.114 0.000 0.932 316 Q CB 1.043 29.867 28.738 0.144 0.000 1.221 316 Q HN 0.398 nan 8.270 nan 0.000 0.434 317 K N 2.176 122.620 120.400 0.073 0.000 2.356 317 K HA -0.218 4.102 4.320 -0.000 0.000 0.252 317 K C 0.067 176.703 176.600 0.060 0.000 1.187 317 K CA 1.548 57.867 56.287 0.055 0.000 1.227 317 K CB -0.265 32.257 32.500 0.037 0.000 0.758 317 K HN 0.948 nan 8.250 nan 0.000 0.510 318 S N 0.288 116.018 115.700 0.049 0.000 1.875 318 S HA -0.089 4.381 4.470 -0.000 0.000 0.246 318 S C 0.871 175.496 174.600 0.042 0.000 1.388 318 S CA 0.594 58.821 58.200 0.044 0.000 1.075 318 S CB -1.749 61.481 63.200 0.051 0.000 1.379 318 S HN 1.326 nan 8.310 nan 0.000 0.641 319 G N 1.593 110.422 108.800 0.048 0.000 2.179 319 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.260 319 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.260 319 G C -0.107 174.821 174.900 0.047 0.000 0.977 319 G CA 0.512 45.639 45.100 0.045 0.000 0.641 319 G HN 0.939 nan 8.290 nan 0.000 0.533 320 R N 1.006 121.537 120.500 0.052 0.000 2.316 320 R HA 0.311 4.650 4.340 -0.000 0.000 0.314 320 R C -0.740 175.593 176.300 0.055 0.000 1.069 320 R CA -1.143 54.985 56.100 0.047 0.000 0.959 320 R CB 0.581 30.909 30.300 0.048 0.000 0.987 320 R HN 0.050 nan 8.270 nan 0.000 0.446 321 P HA -0.246 nan 4.420 nan 0.000 0.222 321 P C -0.537 176.796 177.300 0.054 0.000 1.159 321 P CA 1.223 64.351 63.100 0.047 0.000 0.920 321 P CB 0.136 31.855 31.700 0.030 0.000 0.793 322 V N -2.857 117.084 119.914 0.045 0.000 3.041 322 V HA -0.108 4.012 4.120 -0.000 0.000 0.441 322 V C -0.244 175.863 176.094 0.020 0.000 0.682 322 V CA -0.331 61.996 62.300 0.046 0.000 1.975 322 V CB -0.937 30.926 31.823 0.066 0.000 2.460 322 V HN 0.125 nan 8.190 nan 0.000 0.490 323 K N 4.018 124.422 120.400 0.005 0.000 2.278 323 K HA 0.459 4.779 4.320 -0.000 0.000 0.289 323 K C 0.697 177.284 176.600 -0.022 0.000 1.080 323 K CA 0.428 56.706 56.287 -0.014 0.000 0.934 323 K CB 0.713 33.197 32.500 -0.025 0.000 1.093 323 K HN 0.861 nan 8.250 nan 0.000 0.459 324 S N 2.281 117.960 115.700 -0.034 0.000 2.593 324 S HA 0.171 4.641 4.470 -0.000 0.000 0.269 324 S C 1.489 176.027 174.600 -0.104 0.000 1.334 324 S CA -0.751 57.411 58.200 -0.063 0.000 1.015 324 S CB 0.714 63.877 63.200 -0.062 0.000 0.912 324 S HN 0.475 nan 8.310 nan 0.000 0.541 325 I N 1.131 121.593 120.570 -0.180 0.000 2.127 325 I HA -0.248 3.922 4.170 -0.000 0.000 0.241 325 I C 2.976 179.017 176.117 -0.127 0.000 1.075 325 I CA 2.001 63.194 61.300 -0.178 0.000 1.334 325 I CB -0.495 37.343 38.000 -0.269 0.000 1.040 325 I HN 0.850 nan 8.210 nan 0.000 0.405 326 R N 1.788 122.215 120.500 -0.121 0.000 2.143 326 R HA -0.299 4.041 4.340 -0.000 0.000 0.239 326 R C 2.338 178.560 176.300 -0.129 0.000 1.126 326 R CA 2.487 58.500 56.100 -0.146 0.000 0.927 326 R CB -0.709 29.513 30.300 -0.130 0.000 0.860 326 R HN 0.338 nan 8.270 nan 0.000 0.433 327 A N 1.029 123.791 122.820 -0.098 0.000 2.009 327 A HA -0.248 4.072 4.320 -0.000 0.000 0.222 327 A C 2.250 179.791 177.584 -0.073 0.000 1.175 327 A CA 2.045 54.036 52.037 -0.077 0.000 0.651 327 A CB -0.696 18.270 19.000 -0.057 0.000 0.815 327 A HN 0.546 nan 8.150 nan 0.000 0.459 328 R N -0.936 119.519 120.500 -0.075 0.000 2.148 328 R HA 0.021 4.361 4.340 -0.000 0.000 0.227 328 R C 1.743 178.004 176.300 -0.065 0.000 1.103 328 R CA 1.319 57.381 56.100 -0.063 0.000 0.983 328 R CB -0.308 29.956 30.300 -0.060 0.000 0.874 328 R HN 0.596 nan 8.270 nan 0.000 0.451 329 L N 0.158 121.328 121.223 -0.088 0.000 2.298 329 L HA 0.108 4.447 4.340 -0.000 0.000 0.209 329 L C 0.975 177.789 176.870 -0.093 0.000 1.084 329 L CA -0.071 54.713 54.840 -0.093 0.000 0.816 329 L CB -0.265 41.718 42.059 -0.128 0.000 0.967 329 L HN -0.014 nan 8.230 nan 0.000 0.460 330 K N 2.176 122.513 120.400 -0.105 0.000 2.548 330 K HA -0.041 4.279 4.320 -0.000 0.000 0.277 330 K C 0.623 177.183 176.600 -0.066 0.000 1.001 330 K CA 0.324 56.552 56.287 -0.097 0.000 1.102 330 K CB 0.319 32.765 32.500 -0.090 0.000 0.848 330 K HN 0.177 nan 8.250 nan 0.000 0.487 331 G N 3.801 112.564 108.800 -0.062 0.000 2.168 331 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.240 331 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.240 331 G C -0.465 174.431 174.900 -0.008 0.000 1.080 331 G CA 0.695 45.779 45.100 -0.027 0.000 0.877 331 G HN 0.968 nan 8.290 nan 0.000 0.446 332 K N 1.415 121.821 120.400 0.010 0.000 7.076 332 K HA -0.242 4.078 4.320 -0.000 0.000 0.574 332 K C 0.905 177.505 176.600 0.001 0.000 2.583 332 K CA 1.296 57.592 56.287 0.015 0.000 2.032 332 K CB -0.324 32.190 32.500 0.023 0.000 2.232 332 K HN 0.854 nan 8.250 nan 0.000 0.189 333 E N -1.886 118.316 120.200 0.003 0.000 3.562 333 E HA -0.233 4.117 4.350 -0.000 0.000 0.298 333 E C 0.306 176.901 176.600 -0.009 0.000 0.830 333 E CA 2.177 58.576 56.400 -0.002 0.000 1.013 333 E CB -1.525 28.172 29.700 -0.005 0.000 1.510 333 E HN 0.855 nan 8.360 nan 0.000 0.463 334 G N -0.529 108.263 108.800 -0.013 0.000 2.687 334 G HA2 0.485 4.445 3.960 -0.000 0.000 0.301 334 G HA3 0.485 4.445 3.960 -0.000 0.000 0.301 334 G C 0.355 175.243 174.900 -0.021 0.000 1.416 334 G CA 0.152 45.239 45.100 -0.021 0.000 1.005 334 G HN 0.017 nan 8.290 nan 0.000 0.509 335 R N 0.875 121.363 120.500 -0.020 0.000 3.197 335 R HA -0.349 3.991 4.340 -0.000 0.000 0.533 335 R C 2.344 178.637 176.300 -0.013 0.000 0.609 335 R CA 2.414 58.504 56.100 -0.017 0.000 0.323 335 R CB -1.129 29.157 30.300 -0.024 0.000 0.589 335 R HN 0.510 nan 8.270 nan 0.000 0.241 336 I N -0.025 120.534 120.570 -0.019 0.000 2.109 336 I HA -0.388 3.782 4.170 -0.000 0.000 0.233 336 I C 2.540 178.657 176.117 -0.000 0.000 1.005 336 I CA 2.395 63.688 61.300 -0.011 0.000 1.294 336 I CB -1.128 36.859 38.000 -0.021 0.000 1.005 336 I HN 0.469 nan 8.210 nan 0.000 0.392 337 R N 0.077 120.579 120.500 0.002 0.000 2.119 337 R HA -0.061 4.279 4.340 -0.000 0.000 0.222 337 R C 1.957 178.263 176.300 0.010 0.000 1.088 337 R CA 1.315 57.424 56.100 0.014 0.000 0.984 337 R CB -0.212 30.104 30.300 0.027 0.000 0.884 337 R HN 0.510 nan 8.270 nan 0.000 0.447 338 G N -1.092 107.711 108.800 0.004 0.000 3.126 338 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.224 338 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.224 338 G C 0.706 175.609 174.900 0.003 0.000 1.142 338 G CA -0.219 44.883 45.100 0.005 0.000 0.759 338 G HN 0.204 nan 8.290 nan 0.000 0.550 339 N N -0.563 118.138 118.700 0.001 0.000 2.430 339 N HA 0.206 4.946 4.740 -0.000 0.000 0.235 339 N C 1.766 177.276 175.510 0.001 0.000 1.108 339 N CA 0.022 53.073 53.050 0.001 0.000 0.834 339 N CB 0.619 39.105 38.487 -0.002 0.000 1.430 339 N HN 0.194 nan 8.380 nan 0.000 0.463 340 L N 0.378 121.601 121.223 0.000 0.000 2.356 340 L HA 0.215 4.555 4.340 -0.000 0.000 0.193 340 L C 1.946 178.815 176.870 -0.002 0.000 1.087 340 L CA 0.404 55.243 54.840 -0.000 0.000 0.817 340 L CB -0.227 41.833 42.059 0.002 0.000 1.035 340 L HN -0.022 nan 8.230 nan 0.000 0.482 341 M N 0.072 119.672 119.600 0.001 0.000 2.374 341 M HA 0.087 4.567 4.480 -0.000 0.000 0.264 341 M C 0.794 177.090 176.300 -0.007 0.000 1.067 341 M CA 0.576 55.875 55.300 -0.002 0.000 1.103 341 M CB -0.971 31.633 32.600 0.005 0.000 1.402 341 M HN 0.233 nan 8.290 nan 0.000 0.444 342 G N 0.534 109.332 108.800 -0.003 0.000 2.753 342 G HA2 0.578 4.538 3.960 -0.000 0.000 0.295 342 G HA3 0.578 4.538 3.960 -0.000 0.000 0.295 342 G C -1.045 173.857 174.900 0.003 0.000 1.437 342 G CA -0.678 44.420 45.100 -0.002 0.000 1.094 342 G HN 0.138 nan 8.290 nan 0.000 0.540 343 K N 0.943 121.345 120.400 0.003 0.000 2.433 343 K HA 0.579 4.899 4.320 -0.000 0.000 0.252 343 K C -0.315 176.300 176.600 0.026 0.000 1.015 343 K CA -1.030 55.264 56.287 0.012 0.000 0.860 343 K CB 2.836 35.342 32.500 0.010 0.000 1.359 343 K HN 0.369 nan 8.250 nan 0.000 0.452 344 R N 0.832 121.353 120.500 0.035 0.000 2.500 344 R HA 0.440 4.780 4.340 -0.000 0.000 0.275 344 R C -0.418 175.920 176.300 0.064 0.000 1.051 344 R CA -0.523 55.608 56.100 0.053 0.000 1.088 344 R CB 1.236 31.563 30.300 0.045 0.000 1.063 344 R HN 0.513 nan 8.270 nan 0.000 0.511 345 V N -1.295 118.676 119.914 0.096 0.000 3.181 345 V HA 0.529 4.649 4.120 -0.000 0.000 0.308 345 V C -1.032 175.156 176.094 0.156 0.000 1.214 345 V CA -1.046 61.325 62.300 0.118 0.000 1.053 345 V CB 2.346 34.234 31.823 0.108 0.000 1.069 345 V HN 0.602 nan 8.190 nan 0.000 0.441 346 D N 0.252 120.778 120.400 0.211 0.000 2.478 346 D HA 0.544 5.184 4.640 -0.000 0.000 0.263 346 D C -0.250 176.275 176.300 0.375 0.000 1.153 346 D CA 0.020 54.143 54.000 0.205 0.000 1.038 346 D CB 0.397 41.326 40.800 0.216 0.000 1.120 346 D HN 0.741 nan 8.370 nan 0.000 0.564 347 F N -0.317 119.700 119.950 0.112 0.000 2.797 347 F HA -0.226 4.301 4.527 -0.000 0.000 0.273 347 F C 0.163 176.063 175.800 0.167 0.000 1.020 347 F CA 0.148 58.227 58.000 0.131 0.000 0.961 347 F CB -2.005 37.074 39.000 0.132 0.000 1.020 347 F HN 0.191 nan 8.300 nan 0.000 0.840 348 S N -0.784 115.038 115.700 0.203 0.000 2.537 348 S HA 0.995 5.465 4.470 -0.000 0.000 0.270 348 S C -0.649 174.005 174.600 0.090 0.000 1.142 348 S CA -0.342 57.953 58.200 0.158 0.000 0.870 348 S CB 2.418 65.749 63.200 0.219 0.000 1.112 348 S HN 1.422 nan 8.310 nan 0.000 0.466 349 A N 1.519 124.389 122.820 0.083 0.000 2.587 349 A HA 0.965 5.285 4.320 -0.000 0.000 0.293 349 A C -0.863 176.880 177.584 0.265 0.000 1.087 349 A CA -0.908 51.229 52.037 0.166 0.000 0.692 349 A CB 1.903 21.044 19.000 0.234 0.000 1.291 349 A HN 1.136 nan 8.150 nan 0.000 0.407 350 R N 0.113 120.780 120.500 0.277 0.000 2.594 350 R HA 0.689 5.029 4.340 -0.000 0.000 0.265 350 R C -0.937 175.465 176.300 0.171 0.000 1.070 350 R CA 0.458 56.782 56.100 0.374 0.000 0.909 350 R CB 1.884 32.279 30.300 0.158 0.000 1.243 350 R HN 1.408 nan 8.270 nan 0.000 0.455 351 T N -1.458 113.201 114.554 0.175 0.000 2.627 351 T HA 0.383 4.733 4.350 -0.000 0.000 0.294 351 T C -1.049 173.684 174.700 0.055 0.000 1.230 351 T CA -0.543 61.513 62.100 -0.074 0.000 1.084 351 T CB 0.853 69.465 68.868 -0.426 0.000 1.693 351 T HN 0.200 nan 8.240 nan 0.000 0.465 352 V N 2.344 122.253 119.914 -0.008 0.000 2.465 352 V HA 0.536 4.656 4.120 -0.000 0.000 0.279 352 V C 0.411 176.568 176.094 0.105 0.000 1.045 352 V CA -0.815 61.519 62.300 0.058 0.000 0.938 352 V CB 0.705 32.541 31.823 0.021 0.000 0.986 352 V HN 0.823 nan 8.190 nan 0.000 0.467 353 I N 3.039 123.722 120.570 0.188 0.000 2.488 353 I HA 0.883 5.053 4.170 -0.000 0.000 0.299 353 I C 0.025 176.194 176.117 0.088 0.000 0.984 353 I CA 0.038 61.473 61.300 0.226 0.000 1.250 353 I CB 1.928 40.133 38.000 0.341 0.000 1.389 353 I HN 0.648 nan 8.210 nan 0.000 0.488 354 S N 2.881 118.387 115.700 -0.323 0.000 2.541 354 S HA 0.734 5.203 4.470 -0.000 0.000 0.271 354 S C -0.197 173.621 174.600 -1.304 0.000 1.133 354 S CA -0.679 56.874 58.200 -1.079 0.000 0.876 354 S CB 1.158 64.063 63.200 -0.492 0.000 1.105 354 S HN 1.126 nan 8.310 nan 0.000 0.470 355 G N 0.202 107.826 108.800 -1.960 0.000 2.503 355 G HA2 0.488 4.448 3.960 -0.000 0.000 0.257 355 G HA3 0.488 4.448 3.960 -0.000 0.000 0.257 355 G C -1.047 173.688 174.900 -0.275 0.000 1.214 355 G CA -0.156 44.557 45.100 -0.645 0.000 0.839 355 G HN 0.728 nan 8.290 nan 0.000 0.559 356 D N 1.149 121.494 120.400 -0.092 0.000 2.323 356 D HA 0.222 4.862 4.640 -0.000 0.000 0.242 356 D C -1.970 174.344 176.300 0.022 0.000 1.347 356 D CA -1.360 52.612 54.000 -0.047 0.000 0.988 356 D CB 2.175 42.937 40.800 -0.063 0.000 1.314 356 D HN 0.134 nan 8.370 nan 0.000 0.564 357 P HA 0.064 nan 4.420 nan 0.000 0.269 357 P C 0.118 177.486 177.300 0.113 0.000 1.376 357 P CA 0.180 63.339 63.100 0.098 0.000 0.775 357 P CB 0.261 32.028 31.700 0.112 0.000 1.345 358 N N -0.874 117.868 118.700 0.070 0.000 2.143 358 N HA 0.188 4.928 4.740 -0.000 0.000 0.222 358 N C 0.367 175.885 175.510 0.014 0.000 1.264 358 N CA -0.030 53.053 53.050 0.055 0.000 0.897 358 N CB 0.902 39.411 38.487 0.037 0.000 1.092 358 N HN 0.223 nan 8.380 nan 0.000 0.516 359 L N 0.974 122.205 121.223 0.014 0.000 2.387 359 L HA 0.374 4.714 4.340 -0.000 0.000 0.266 359 L C 0.681 177.562 176.870 0.018 0.000 1.059 359 L CA -0.751 54.087 54.840 -0.005 0.000 0.801 359 L CB 0.974 43.016 42.059 -0.029 0.000 1.223 359 L HN -0.138 nan 8.230 nan 0.000 0.456 360 E N 0.483 120.689 120.200 0.011 0.000 2.342 360 E HA 0.071 4.421 4.350 -0.000 0.000 0.257 360 E C 0.683 177.300 176.600 0.028 0.000 1.150 360 E CA -0.510 55.908 56.400 0.031 0.000 0.926 360 E CB 1.012 30.726 29.700 0.024 0.000 1.074 360 E HN 0.376 nan 8.360 nan 0.000 0.449 361 L N 1.831 123.068 121.223 0.023 0.000 1.971 361 L HA -0.230 4.110 4.340 -0.000 0.000 0.215 361 L C 1.416 178.318 176.870 0.054 0.000 1.072 361 L CA 2.458 57.285 54.840 -0.022 0.000 0.758 361 L CB -0.738 41.214 42.059 -0.179 0.000 0.889 361 L HN 0.587 nan 8.230 nan 0.000 0.433 362 D N -1.177 119.254 120.400 0.051 0.000 2.368 362 D HA -0.096 4.544 4.640 -0.000 0.000 0.250 362 D C 0.584 176.984 176.300 0.167 0.000 1.142 362 D CA 0.327 54.395 54.000 0.114 0.000 0.925 362 D CB -0.312 40.503 40.800 0.025 0.000 0.896 362 D HN 0.550 nan 8.370 nan 0.000 0.525 363 Q N -0.941 118.912 119.800 0.088 0.000 2.427 363 Q HA 0.657 4.997 4.340 -0.000 0.000 0.232 363 Q C -1.150 174.722 176.000 -0.214 0.000 1.018 363 Q CA -1.279 54.514 55.803 -0.016 0.000 0.965 363 Q CB 2.716 31.425 28.738 -0.048 0.000 1.232 363 Q HN 0.024 nan 8.270 nan 0.000 0.510 364 V N -0.085 119.654 119.914 -0.291 0.000 2.781 364 V HA 0.426 4.546 4.120 -0.000 0.000 0.289 364 V C -1.103 174.813 176.094 -0.296 0.000 1.275 364 V CA -0.403 61.588 62.300 -0.516 0.000 0.936 364 V CB 1.550 32.784 31.823 -0.981 0.000 1.074 364 V HN 0.804 nan 8.190 nan 0.000 0.444 365 G N 5.702 114.382 108.800 -0.200 0.000 2.356 365 G HA2 0.493 4.453 3.960 -0.000 0.000 0.273 365 G HA3 0.493 4.453 3.960 -0.000 0.000 0.273 365 G C -0.465 174.427 174.900 -0.013 0.000 1.213 365 G CA -0.070 44.974 45.100 -0.094 0.000 0.955 365 G HN 0.938 nan 8.290 nan 0.000 0.454 366 V N 6.006 125.914 119.914 -0.009 0.000 2.472 366 V HA 0.382 4.502 4.120 -0.000 0.000 0.290 366 V C -1.787 174.280 176.094 -0.045 0.000 1.037 366 V CA -1.784 60.553 62.300 0.060 0.000 0.908 366 V CB 2.128 33.995 31.823 0.074 0.000 0.985 366 V HN 0.652 nan 8.190 nan 0.000 0.454 367 P HA 0.152 nan 4.420 nan 0.000 0.276 367 P C 0.458 177.667 177.300 -0.153 0.000 1.235 367 P CA -0.337 62.678 63.100 -0.140 0.000 0.772 367 P CB 1.167 32.758 31.700 -0.182 0.000 0.871 368 K N 2.997 123.275 120.400 -0.202 0.000 2.097 368 K HA -0.275 4.044 4.320 -0.000 0.000 0.214 368 K C 2.004 178.503 176.600 -0.169 0.000 1.052 368 K CA 2.417 58.546 56.287 -0.265 0.000 0.932 368 K CB -0.555 31.777 32.500 -0.279 0.000 0.716 368 K HN 0.398 nan 8.250 nan 0.000 0.455 369 S N 0.506 116.122 115.700 -0.140 0.000 2.401 369 S HA -0.241 4.229 4.470 -0.000 0.000 0.236 369 S C 1.908 176.466 174.600 -0.070 0.000 1.058 369 S CA 2.129 60.267 58.200 -0.103 0.000 1.151 369 S CB -0.434 62.701 63.200 -0.108 0.000 1.049 369 S HN 0.419 nan 8.310 nan 0.000 0.432 370 I N 1.744 122.274 120.570 -0.068 0.000 2.163 370 I HA -0.120 4.050 4.170 -0.000 0.000 0.240 370 I C 2.972 179.115 176.117 0.043 0.000 1.081 370 I CA 1.062 62.356 61.300 -0.011 0.000 1.353 370 I CB -0.886 37.115 38.000 0.000 0.000 1.054 370 I HN 0.474 nan 8.210 nan 0.000 0.407 371 A N 0.971 123.808 122.820 0.029 0.000 1.971 371 A HA -0.274 4.046 4.320 -0.000 0.000 0.222 371 A C 2.229 179.920 177.584 0.180 0.000 1.182 371 A CA 1.941 54.043 52.037 0.108 0.000 0.649 371 A CB -0.598 18.435 19.000 0.054 0.000 0.818 371 A HN 0.410 nan 8.150 nan 0.000 0.458 372 K N -1.484 118.947 120.400 0.052 0.000 2.432 372 K HA 0.010 4.330 4.320 -0.000 0.000 0.196 372 K C 1.554 178.307 176.600 0.254 0.000 1.038 372 K CA 1.172 57.459 56.287 -0.000 0.000 0.986 372 K CB -0.027 32.365 32.500 -0.179 0.000 0.782 372 K HN 0.482 nan 8.250 nan 0.000 0.485 373 T N 1.054 115.692 114.554 0.140 0.000 2.953 373 T HA 0.139 4.489 4.350 -0.000 0.000 0.247 373 T C 0.689 175.430 174.700 0.067 0.000 1.029 373 T CA 0.127 62.271 62.100 0.074 0.000 1.144 373 T CB 0.206 69.087 68.868 0.021 0.000 0.870 373 T HN 0.003 nan 8.240 nan 0.000 0.446 374 L N 2.022 123.312 121.223 0.111 0.000 2.416 374 L HA 0.367 4.707 4.340 -0.000 0.000 0.272 374 L C 0.356 177.344 176.870 0.197 0.000 1.161 374 L CA -0.041 54.878 54.840 0.132 0.000 0.845 374 L CB 0.842 43.007 42.059 0.176 0.000 1.119 374 L HN 0.118 nan 8.230 nan 0.000 0.464 375 T N 2.010 116.713 114.554 0.249 0.000 2.893 375 T HA 0.439 4.789 4.350 -0.000 0.000 0.291 375 T C -1.461 173.509 174.700 0.450 0.000 1.028 375 T CA -0.395 61.874 62.100 0.282 0.000 0.995 375 T CB 1.063 70.034 68.868 0.172 0.000 1.051 375 T HN 0.348 nan 8.240 nan 0.000 0.470 376 Y N 6.284 126.684 120.300 0.168 0.000 2.331 376 Y HA 0.559 5.109 4.550 -0.000 0.000 0.334 376 Y C -2.541 173.400 175.900 0.069 0.000 0.960 376 Y CA -2.745 55.420 58.100 0.109 0.000 1.130 376 Y CB 1.941 40.446 38.460 0.074 0.000 1.164 376 Y HN 0.380 nan 8.280 nan 0.000 0.458 377 P HA 0.086 nan 4.420 nan 0.000 0.275 377 P C -0.862 176.005 177.300 -0.723 0.000 1.276 377 P CA 0.263 63.079 63.100 -0.473 0.000 0.782 377 P CB 1.020 32.517 31.700 -0.338 0.000 0.851 378 E N 2.674 122.662 120.200 -0.352 0.000 2.221 378 E HA 0.393 4.743 4.350 -0.000 0.000 0.268 378 E C -0.914 175.629 176.600 -0.095 0.000 0.933 378 E CA -1.083 55.201 56.400 -0.193 0.000 0.809 378 E CB 1.560 31.257 29.700 -0.006 0.000 1.190 378 E HN 0.122 nan 8.360 nan 0.000 0.406 379 V N 3.447 123.329 119.914 -0.052 0.000 2.370 379 V HA 0.180 4.300 4.120 -0.000 0.000 0.279 379 V C 0.038 176.115 176.094 -0.029 0.000 1.029 379 V CA -1.024 61.262 62.300 -0.023 0.000 0.870 379 V CB 1.160 32.974 31.823 -0.015 0.000 0.984 379 V HN 0.522 nan 8.190 nan 0.000 0.451 380 V N 4.819 124.721 119.914 -0.020 0.000 2.555 380 V HA 0.039 4.159 4.120 -0.000 0.000 0.299 380 V C 0.756 176.728 176.094 -0.203 0.000 1.012 380 V CA 1.238 63.472 62.300 -0.111 0.000 1.180 380 V CB 0.062 31.822 31.823 -0.106 0.000 0.887 380 V HN 1.038 nan 8.190 nan 0.000 0.476 381 T N 7.979 122.361 114.554 -0.288 0.000 2.912 381 T HA 0.411 4.761 4.350 -0.000 0.000 0.299 381 T C -1.537 172.860 174.700 -0.505 0.000 1.052 381 T CA -1.063 60.810 62.100 -0.379 0.000 0.996 381 T CB 2.271 70.935 68.868 -0.340 0.000 1.070 381 T HN 0.435 nan 8.240 nan 0.000 0.465 382 P HA -0.214 nan 4.420 nan 0.000 0.218 382 P C 1.039 178.306 177.300 -0.054 0.000 1.152 382 P CA 1.714 64.693 63.100 -0.202 0.000 0.857 382 P CB -0.045 31.785 31.700 0.217 0.000 0.787 383 Y N 1.053 121.342 120.300 -0.018 0.000 2.207 383 Y HA -0.218 4.332 4.550 -0.000 0.000 0.287 383 Y C 2.415 178.292 175.900 -0.038 0.000 1.156 383 Y CA 1.085 59.177 58.100 -0.013 0.000 1.182 383 Y CB -0.967 37.494 38.460 0.002 0.000 0.979 383 Y HN 0.234 nan 8.280 nan 0.000 0.521 384 N N -1.363 117.360 118.700 0.037 0.000 2.397 384 N HA -0.049 4.691 4.740 -0.000 0.000 0.190 384 N C 1.350 176.811 175.510 -0.082 0.000 1.099 384 N CA 0.088 53.133 53.050 -0.007 0.000 0.876 384 N CB -0.572 37.920 38.487 0.009 0.000 1.143 384 N HN 0.026 nan 8.380 nan 0.000 0.468 385 I N 2.232 122.684 120.570 -0.196 0.000 3.052 385 I HA -0.482 3.688 4.170 -0.000 0.000 0.209 385 I C 1.143 177.183 176.117 -0.128 0.000 0.835 385 I CA 2.231 63.384 61.300 -0.244 0.000 1.156 385 I CB -0.970 36.817 38.000 -0.354 0.000 0.899 385 I HN 0.336 nan 8.210 nan 0.000 0.353 386 D N -0.311 120.037 120.400 -0.086 0.000 2.240 386 D HA -0.273 4.367 4.640 -0.000 0.000 0.204 386 D C 2.050 178.330 176.300 -0.034 0.000 1.018 386 D CA 1.989 55.961 54.000 -0.046 0.000 0.887 386 D CB -0.621 40.165 40.800 -0.022 0.000 1.087 386 D HN 0.379 nan 8.370 nan 0.000 0.464 387 R N 0.601 121.090 120.500 -0.019 0.000 2.159 387 R HA -0.199 4.141 4.340 -0.000 0.000 0.252 387 R C 2.701 178.994 176.300 -0.012 0.000 1.144 387 R CA 1.297 57.392 56.100 -0.009 0.000 0.961 387 R CB -0.610 29.692 30.300 0.004 0.000 0.877 387 R HN 0.193 nan 8.270 nan 0.000 0.444 388 L N -0.330 120.880 121.223 -0.022 0.000 2.046 388 L HA -0.185 4.154 4.340 -0.000 0.000 0.208 388 L C 2.303 179.162 176.870 -0.018 0.000 1.077 388 L CA 1.943 56.772 54.840 -0.019 0.000 0.747 388 L CB -0.316 41.723 42.059 -0.034 0.000 0.896 388 L HN 0.349 nan 8.230 nan 0.000 0.432 389 T N -1.659 112.877 114.554 -0.031 0.000 2.833 389 T HA -0.239 4.111 4.350 -0.000 0.000 0.269 389 T C 1.712 176.406 174.700 -0.010 0.000 1.054 389 T CA 1.135 63.222 62.100 -0.022 0.000 1.135 389 T CB -0.088 68.757 68.868 -0.037 0.000 0.869 389 T HN 0.203 nan 8.240 nan 0.000 0.466 390 Q N 0.984 120.777 119.800 -0.012 0.000 2.046 390 Q HA 0.085 4.425 4.340 -0.000 0.000 0.200 390 Q C 2.112 178.111 176.000 -0.003 0.000 0.975 390 Q CA 1.330 57.129 55.803 -0.006 0.000 0.836 390 Q CB -0.713 28.021 28.738 -0.007 0.000 0.896 390 Q HN 0.493 nan 8.270 nan 0.000 0.428 391 L N -0.730 120.491 121.223 -0.004 0.000 1.989 391 L HA -0.228 4.112 4.340 -0.000 0.000 0.211 391 L C 2.300 179.171 176.870 0.001 0.000 1.071 391 L CA 1.370 56.209 54.840 -0.001 0.000 0.749 391 L CB -0.816 41.242 42.059 -0.002 0.000 0.890 391 L HN 0.115 nan 8.230 nan 0.000 0.431 392 V N -0.311 119.603 119.914 0.001 0.000 2.220 392 V HA -0.381 3.739 4.120 -0.000 0.000 0.250 392 V C 2.604 178.705 176.094 0.010 0.000 1.056 392 V CA 2.032 64.336 62.300 0.007 0.000 1.016 392 V CB -0.767 31.070 31.823 0.023 0.000 0.639 392 V HN 0.415 nan 8.190 nan 0.000 0.446 393 R N -0.078 120.429 120.500 0.011 0.000 2.154 393 R HA -0.250 4.090 4.340 -0.000 0.000 0.236 393 R C 2.335 178.642 176.300 0.012 0.000 1.121 393 R CA 2.108 58.215 56.100 0.012 0.000 0.915 393 R CB -0.815 29.490 30.300 0.008 0.000 0.856 393 R HN 0.551 nan 8.270 nan 0.000 0.431 394 N N 0.017 118.723 118.700 0.009 0.000 2.200 394 N HA -0.202 4.538 4.740 -0.000 0.000 0.199 394 N C 1.021 176.543 175.510 0.020 0.000 0.987 394 N CA 1.753 54.810 53.050 0.012 0.000 0.908 394 N CB -0.251 38.241 38.487 0.009 0.000 1.035 394 N HN 0.516 nan 8.380 nan 0.000 0.481 395 G N -1.204 107.610 108.800 0.023 0.000 2.592 395 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.684 395 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.684 395 G C -2.552 172.387 174.900 0.064 0.000 1.291 395 G CA -0.074 45.041 45.100 0.026 0.000 0.891 395 G HN 0.133 nan 8.290 nan 0.000 0.544 396 P HA 0.213 nan 4.420 nan 0.000 0.272 396 P C 0.448 177.834 177.300 0.143 0.000 1.408 396 P CA 0.163 63.344 63.100 0.135 0.000 0.996 396 P CB 0.331 32.002 31.700 -0.048 0.000 1.481 397 N N -0.386 118.356 118.700 0.070 0.000 2.516 397 N HA 0.056 4.796 4.740 -0.000 0.000 0.197 397 N C 0.663 176.166 175.510 -0.012 0.000 1.064 397 N CA 0.256 53.316 53.050 0.017 0.000 0.866 397 N CB -0.062 38.431 38.487 0.010 0.000 1.255 397 N HN 0.150 nan 8.380 nan 0.000 0.447 398 E N 0.173 120.374 120.200 0.001 0.000 2.408 398 E HA -0.050 4.300 4.350 -0.000 0.000 0.259 398 E C 0.358 176.926 176.600 -0.054 0.000 1.110 398 E CA 0.013 56.405 56.400 -0.013 0.000 0.929 398 E CB 0.885 30.584 29.700 -0.002 0.000 0.971 398 E HN 0.298 nan 8.360 nan 0.000 0.438 399 H N 2.758 121.753 119.070 -0.125 0.000 2.480 399 H HA 0.011 4.567 4.556 -0.000 0.000 0.305 399 H C -1.689 173.558 175.328 -0.135 0.000 1.035 399 H CA 0.671 56.598 56.048 -0.203 0.000 1.221 399 H CB -1.105 28.569 29.762 -0.147 0.000 1.449 399 H HN 0.294 nan 8.280 nan 0.000 0.597 400 P HA 0.154 nan 4.420 nan 0.000 0.252 400 P C -0.540 176.663 177.300 -0.161 0.000 1.183 400 P CA 1.187 63.975 63.100 -0.520 0.000 0.973 400 P CB 0.113 31.684 31.700 -0.215 0.000 0.990 401 G N 1.502 110.331 108.800 0.048 0.000 2.634 401 G HA2 0.762 4.722 3.960 -0.000 0.000 0.309 401 G HA3 0.762 4.722 3.960 -0.000 0.000 0.309 401 G C -1.951 173.025 174.900 0.126 0.000 1.299 401 G CA -0.221 44.978 45.100 0.165 0.000 0.798 401 G HN 0.472 nan 8.290 nan 0.000 0.490 402 A N -0.986 121.777 122.820 -0.096 0.000 2.569 402 A HA 0.827 5.147 4.320 -0.000 0.000 0.290 402 A C -0.341 177.053 177.584 -0.317 0.000 1.136 402 A CA -0.098 51.749 52.037 -0.318 0.000 0.710 402 A CB 1.643 20.569 19.000 -0.124 0.000 1.303 402 A HN 1.263 nan 8.150 nan 0.000 0.413 403 K N -0.507 119.688 120.400 -0.343 0.000 2.619 403 K HA 0.545 4.864 4.320 -0.000 0.000 0.201 403 K C -1.216 175.174 176.600 -0.350 0.000 1.090 403 K CA -0.096 55.983 56.287 -0.347 0.000 1.063 403 K CB 0.395 32.626 32.500 -0.448 0.000 0.810 403 K HN 0.541 nan 8.250 nan 0.000 0.506 404 Y N 0.045 120.280 120.300 -0.108 0.000 2.273 404 Y HA 0.179 4.729 4.550 -0.000 0.000 0.316 404 Y C -1.507 174.353 175.900 -0.067 0.000 1.294 404 Y CA -1.333 56.715 58.100 -0.087 0.000 1.198 404 Y CB 2.040 40.451 38.460 -0.082 0.000 1.299 404 Y HN -0.213 nan 8.280 nan 0.000 0.413 405 V N 6.066 126.055 119.914 0.124 0.000 2.448 405 V HA 0.538 4.658 4.120 -0.000 0.000 0.295 405 V C -0.306 175.733 176.094 -0.091 0.000 1.025 405 V CA -0.595 61.731 62.300 0.043 0.000 0.859 405 V CB 1.731 33.612 31.823 0.098 0.000 0.988 405 V HN 0.489 nan 8.190 nan 0.000 0.431 406 I N 3.153 123.631 120.570 -0.155 0.000 2.436 406 I HA 0.743 4.913 4.170 -0.000 0.000 0.289 406 I C -0.299 175.508 176.117 -0.516 0.000 1.010 406 I CA -0.925 60.193 61.300 -0.303 0.000 1.098 406 I CB 1.767 39.629 38.000 -0.231 0.000 1.266 406 I HN 0.470 nan 8.210 nan 0.000 0.434 407 R N 2.348 122.336 120.500 -0.854 0.000 2.674 407 R HA 0.343 4.683 4.340 -0.000 0.000 0.266 407 R C 0.625 176.542 176.300 -0.638 0.000 1.016 407 R CA -0.598 54.643 56.100 -1.432 0.000 1.062 407 R CB 0.558 29.642 30.300 -2.028 0.000 1.142 407 R HN 0.754 nan 8.270 nan 0.000 0.517 408 D N 0.369 120.530 120.400 -0.400 0.000 2.200 408 D HA -0.292 4.348 4.640 -0.000 0.000 0.192 408 D C 0.758 176.980 176.300 -0.131 0.000 1.008 408 D CA 2.000 55.934 54.000 -0.110 0.000 0.872 408 D CB -0.593 40.245 40.800 0.063 0.000 0.923 408 D HN 0.491 nan 8.370 nan 0.000 0.447 409 S N -0.471 115.134 115.700 -0.158 0.000 3.054 409 S HA 0.236 4.706 4.470 -0.000 0.000 0.243 409 S C 1.474 175.991 174.600 -0.137 0.000 1.013 409 S CA -0.033 58.095 58.200 -0.120 0.000 1.119 409 S CB -1.377 61.761 63.200 -0.102 0.000 0.838 409 S HN 0.663 nan 8.310 nan 0.000 0.505 410 G N 1.011 109.723 108.800 -0.147 0.000 2.293 410 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.271 410 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.271 410 G C -0.392 174.424 174.900 -0.141 0.000 0.857 410 G CA 0.609 45.629 45.100 -0.134 0.000 1.221 410 G HN 0.738 nan 8.290 nan 0.000 0.445 411 D N -0.742 119.544 120.400 -0.190 0.000 2.934 411 D HA 0.437 5.077 4.640 -0.000 0.000 0.230 411 D C 0.303 176.470 176.300 -0.222 0.000 1.204 411 D CA -0.815 53.079 54.000 -0.177 0.000 0.873 411 D CB 0.991 41.699 40.800 -0.154 0.000 1.645 411 D HN 0.421 nan 8.370 nan 0.000 0.502 412 R N 3.228 123.602 120.500 -0.211 0.000 2.254 412 R HA 0.540 4.880 4.340 -0.000 0.000 0.318 412 R C -0.071 176.125 176.300 -0.173 0.000 1.031 412 R CA -0.603 55.337 56.100 -0.266 0.000 0.905 412 R CB 1.101 31.158 30.300 -0.405 0.000 1.050 412 R HN 0.387 nan 8.270 nan 0.000 0.456 413 I N 2.680 123.176 120.570 -0.124 0.000 2.306 413 I HA 0.027 4.197 4.170 -0.000 0.000 0.288 413 I C 0.070 176.262 176.117 0.126 0.000 1.036 413 I CA -0.489 60.803 61.300 -0.013 0.000 1.221 413 I CB 1.050 39.044 38.000 -0.010 0.000 1.385 413 I HN 0.528 nan 8.210 nan 0.000 0.472 414 D N 7.408 127.901 120.400 0.155 0.000 2.359 414 D HA 0.072 4.712 4.640 -0.000 0.000 0.250 414 D C 1.155 177.469 176.300 0.023 0.000 1.264 414 D CA 0.072 54.211 54.000 0.232 0.000 0.911 414 D CB 0.997 41.857 40.800 0.100 0.000 1.056 414 D HN 0.512 nan 8.370 nan 0.000 0.499 415 L N 3.819 125.036 121.223 -0.010 0.000 2.189 415 L HA -0.208 4.132 4.340 -0.000 0.000 0.214 415 L C 2.385 179.208 176.870 -0.078 0.000 1.097 415 L CA 1.090 55.902 54.840 -0.046 0.000 0.764 415 L CB -0.200 41.819 42.059 -0.066 0.000 0.900 415 L HN 0.461 nan 8.230 nan 0.000 0.436 416 R N -1.805 118.573 120.500 -0.204 0.000 2.297 416 R HA -0.047 4.293 4.340 -0.000 0.000 0.197 416 R C 1.169 177.541 176.300 0.120 0.000 0.943 416 R CA 0.652 56.672 56.100 -0.135 0.000 1.038 416 R CB -0.074 30.073 30.300 -0.255 0.000 0.957 416 R HN 0.388 nan 8.270 nan 0.000 0.484 417 Y N 0.677 120.982 120.300 0.007 0.000 2.886 417 Y HA 0.122 4.672 4.550 -0.000 0.000 0.244 417 Y C 0.915 176.826 175.900 0.020 0.000 1.017 417 Y CA -0.462 57.646 58.100 0.014 0.000 1.389 417 Y CB 0.091 38.563 38.460 0.020 0.000 1.477 417 Y HN 0.026 nan 8.280 nan 0.000 0.466 418 S N 3.236 119.058 115.700 0.203 0.000 4.273 418 S HA -0.222 4.248 4.470 -0.000 0.000 0.512 418 S C 0.990 175.645 174.600 0.092 0.000 1.063 418 S CA 0.574 58.846 58.200 0.120 0.000 0.904 418 S CB 0.048 63.299 63.200 0.085 0.000 0.778 418 S HN 0.577 nan 8.310 nan 0.000 0.467 419 K N 4.284 124.728 120.400 0.073 0.000 2.520 419 K HA -0.115 4.205 4.320 -0.000 0.000 0.197 419 K C 1.307 177.937 176.600 0.050 0.000 1.044 419 K CA 1.531 57.851 56.287 0.054 0.000 0.938 419 K CB -0.147 32.377 32.500 0.041 0.000 0.767 419 K HN 0.743 nan 8.250 nan 0.000 0.481 420 R N -0.306 120.228 120.500 0.056 0.000 2.472 420 R HA 0.268 4.607 4.340 -0.000 0.000 0.279 420 R C 1.859 178.192 176.300 0.055 0.000 0.953 420 R CA 0.362 56.495 56.100 0.054 0.000 1.088 420 R CB 0.355 30.691 30.300 0.060 0.000 1.197 420 R HN 0.203 nan 8.270 nan 0.000 0.536 421 A N 1.669 124.523 122.820 0.056 0.000 1.894 421 A HA -0.248 4.072 4.320 -0.000 0.000 0.220 421 A C 2.297 179.906 177.584 0.042 0.000 1.237 421 A CA 2.348 54.415 52.037 0.049 0.000 0.660 421 A CB -1.405 17.623 19.000 0.047 0.000 0.835 421 A HN 0.454 nan 8.150 nan 0.000 0.461 422 G N -0.860 107.962 108.800 0.037 0.000 2.450 422 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.220 422 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.220 422 G C 1.062 175.980 174.900 0.030 0.000 1.130 422 G CA 1.158 46.276 45.100 0.030 0.000 0.760 422 G HN 0.611 nan 8.290 nan 0.000 0.557 423 D N 0.009 120.431 120.400 0.036 0.000 1.962 423 D HA 0.087 4.727 4.640 -0.000 0.000 0.273 423 D C 1.007 177.335 176.300 0.046 0.000 1.105 423 D CA 0.035 54.057 54.000 0.038 0.000 0.975 423 D CB -0.034 40.792 40.800 0.044 0.000 1.186 423 D HN 0.195 nan 8.370 nan 0.000 0.468 424 I N -0.435 120.171 120.570 0.061 0.000 8.587 424 I HA -0.253 3.917 4.170 -0.000 0.000 0.126 424 I C -0.627 175.515 176.117 0.041 0.000 1.857 424 I CA -0.004 61.346 61.300 0.083 0.000 2.041 424 I CB -0.615 37.454 38.000 0.115 0.000 3.855 424 I HN 0.355 nan 8.210 nan 0.000 0.170 425 Q N 6.829 126.632 119.800 0.005 0.000 2.331 425 Q HA 0.714 5.054 4.340 -0.000 0.000 0.267 425 Q C -0.502 175.392 176.000 -0.176 0.000 1.006 425 Q CA -0.997 54.766 55.803 -0.067 0.000 0.818 425 Q CB 2.505 31.197 28.738 -0.078 0.000 1.276 425 Q HN 0.582 nan 8.270 nan 0.000 0.450 426 L N 1.336 122.443 121.223 -0.193 0.000 2.474 426 L HA 0.159 4.499 4.340 -0.000 0.000 0.259 426 L C 0.546 177.010 176.870 -0.676 0.000 1.232 426 L CA -0.149 54.479 54.840 -0.353 0.000 0.821 426 L CB 0.215 42.177 42.059 -0.162 0.000 1.108 426 L HN 0.463 nan 8.230 nan 0.000 0.495 427 Q N 0.622 119.745 119.800 -1.128 0.000 2.310 427 Q HA 0.302 4.642 4.340 -0.000 0.000 0.270 427 Q C -1.386 174.342 176.000 -0.454 0.000 1.025 427 Q CA -0.834 54.382 55.803 -0.979 0.000 0.772 427 Q CB 1.923 29.616 28.738 -1.741 0.000 1.253 427 Q HN 0.295 nan 8.270 nan 0.000 0.450 428 Y N 0.706 120.811 120.300 -0.324 0.000 2.881 428 Y HA 0.064 4.614 4.550 -0.000 0.000 0.335 428 Y C 1.630 177.472 175.900 -0.096 0.000 1.263 428 Y CA 2.204 60.198 58.100 -0.178 0.000 1.572 428 Y CB 0.024 38.392 38.460 -0.153 0.000 1.237 428 Y HN 0.996 nan 8.280 nan 0.000 0.568 429 G N 0.623 109.496 108.800 0.121 0.000 2.253 429 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.209 429 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.209 429 G C -0.156 174.926 174.900 0.303 0.000 0.997 429 G CA -0.615 44.590 45.100 0.174 0.000 0.640 429 G HN 0.467 nan 8.290 nan 0.000 0.496 430 W N 1.313 122.599 121.300 -0.024 0.000 2.183 430 W HA 0.765 5.425 4.660 -0.000 0.000 0.348 430 W C 0.694 177.179 176.519 -0.058 0.000 1.257 430 W CA -0.684 56.638 57.345 -0.038 0.000 1.324 430 W CB 0.493 29.933 29.460 -0.033 0.000 1.144 430 W HN -0.003 nan 8.180 nan 0.000 0.622 431 K N 0.484 120.962 120.400 0.130 0.000 2.259 431 K HA 0.565 4.885 4.320 -0.000 0.000 0.252 431 K C -1.149 175.471 176.600 0.034 0.000 0.936 431 K CA -0.778 55.526 56.287 0.028 0.000 0.810 431 K CB 2.024 34.494 32.500 -0.049 0.000 1.143 431 K HN 0.109 nan 8.250 nan 0.000 0.427 432 V N 3.040 122.961 119.914 0.012 0.000 2.320 432 V HA 0.097 4.217 4.120 -0.000 0.000 0.257 432 V C -0.460 175.634 176.094 0.001 0.000 0.996 432 V CA -0.779 61.536 62.300 0.025 0.000 0.928 432 V CB 0.524 32.368 31.823 0.035 0.000 1.169 432 V HN 0.764 nan 8.190 nan 0.000 0.475 433 E N 3.866 124.072 120.200 0.010 0.000 3.072 433 E HA -0.087 4.263 4.350 -0.000 0.000 0.241 433 E C 0.451 177.048 176.600 -0.006 0.000 0.962 433 E CA 0.482 56.898 56.400 0.027 0.000 0.955 433 E CB 0.428 30.204 29.700 0.126 0.000 0.899 433 E HN 0.761 nan 8.360 nan 0.000 0.547 434 R N 2.663 123.164 120.500 0.003 0.000 2.944 434 R HA 0.450 4.790 4.340 -0.000 0.000 0.233 434 R C 0.144 176.409 176.300 -0.057 0.000 1.346 434 R CA -0.892 55.172 56.100 -0.061 0.000 1.082 434 R CB 0.682 30.994 30.300 0.021 0.000 1.434 434 R HN 0.356 nan 8.270 nan 0.000 0.510 435 H N 0.042 119.141 119.070 0.048 0.000 2.607 435 H HA 0.179 4.735 4.556 -0.000 0.000 0.367 435 H C 0.408 175.803 175.328 0.111 0.000 1.181 435 H CA -0.330 55.757 56.048 0.065 0.000 1.402 435 H CB 0.689 30.445 29.762 -0.010 0.000 1.474 435 H HN 0.276 nan 8.280 nan 0.000 0.596 436 I N 2.430 123.173 120.570 0.289 0.000 2.692 436 I HA -0.031 4.139 4.170 -0.000 0.000 0.284 436 I C 0.911 177.150 176.117 0.203 0.000 1.159 436 I CA 0.701 62.124 61.300 0.205 0.000 1.423 436 I CB -0.264 37.843 38.000 0.177 0.000 1.380 436 I HN 0.366 nan 8.210 nan 0.000 0.580 437 M N 2.963 122.640 119.600 0.128 0.000 2.690 437 M HA 0.306 4.786 4.480 -0.000 0.000 0.302 437 M C -0.603 175.744 176.300 0.079 0.000 1.234 437 M CA -1.087 54.291 55.300 0.129 0.000 0.853 437 M CB 1.643 34.293 32.600 0.084 0.000 1.748 437 M HN 0.320 nan 8.290 nan 0.000 0.469 438 D N 2.521 122.970 120.400 0.082 0.000 2.570 438 D HA 0.013 4.653 4.640 -0.000 0.000 0.243 438 D C -0.340 175.967 176.300 0.013 0.000 1.171 438 D CA 1.434 55.455 54.000 0.035 0.000 0.879 438 D CB -0.175 40.642 40.800 0.030 0.000 1.143 438 D HN 0.576 nan 8.370 nan 0.000 0.511 439 N N 1.802 120.500 118.700 -0.004 0.000 3.006 439 N HA -0.146 4.594 4.740 -0.000 0.000 0.246 439 N C -1.571 173.917 175.510 -0.035 0.000 1.128 439 N CA 0.310 53.349 53.050 -0.017 0.000 0.697 439 N CB -0.702 37.777 38.487 -0.013 0.000 1.057 439 N HN 0.349 nan 8.380 nan 0.000 0.557 440 D N 0.831 121.205 120.400 -0.044 0.000 2.392 440 D HA 0.250 4.890 4.640 -0.000 0.000 0.228 440 D C -2.208 174.044 176.300 -0.080 0.000 1.074 440 D CA -1.288 52.654 54.000 -0.096 0.000 0.838 440 D CB 1.214 41.955 40.800 -0.099 0.000 1.067 440 D HN 0.092 nan 8.370 nan 0.000 0.511 441 P HA -0.050 nan 4.420 nan 0.000 0.261 441 P C -0.388 176.888 177.300 -0.039 0.000 1.183 441 P CA -0.048 63.019 63.100 -0.055 0.000 0.761 441 P CB 0.705 32.368 31.700 -0.061 0.000 0.785 442 V N 1.736 121.648 119.914 -0.003 0.000 3.078 442 V HA 0.479 4.599 4.120 -0.000 0.000 0.311 442 V C -0.450 175.687 176.094 0.072 0.000 1.138 442 V CA -1.282 61.037 62.300 0.032 0.000 1.007 442 V CB 2.624 34.461 31.823 0.023 0.000 1.045 442 V HN 0.392 nan 8.190 nan 0.000 0.432 443 L N 2.874 124.170 121.223 0.122 0.000 2.264 443 L HA 0.562 4.902 4.340 -0.000 0.000 0.289 443 L C -1.259 175.766 176.870 0.257 0.000 1.044 443 L CA -0.146 54.796 54.840 0.170 0.000 0.807 443 L CB 1.157 43.319 42.059 0.172 0.000 1.192 443 L HN 0.822 nan 8.230 nan 0.000 0.425 444 F N 6.348 126.346 119.950 0.081 0.000 2.470 444 F HA 0.541 5.068 4.527 -0.000 0.000 0.329 444 F C -0.029 175.823 175.800 0.087 0.000 1.072 444 F CA -0.936 57.071 58.000 0.012 0.000 0.989 444 F CB 1.421 40.526 39.000 0.177 0.000 1.193 444 F HN 0.608 nan 8.300 nan 0.000 0.481 445 N N 3.420 121.875 118.700 -0.409 0.000 2.815 445 N HA 0.221 4.961 4.740 -0.000 0.000 0.253 445 N C -2.190 173.094 175.510 -0.375 0.000 1.202 445 N CA -0.660 52.268 53.050 -0.202 0.000 0.925 445 N CB 1.891 40.402 38.487 0.039 0.000 1.622 445 N HN 0.839 nan 8.380 nan 0.000 0.497 446 R N 2.616 123.030 120.500 -0.144 0.000 2.388 446 R HA 0.305 4.645 4.340 -0.000 0.000 0.314 446 R C -0.807 175.484 176.300 -0.015 0.000 0.959 446 R CA -0.330 55.694 56.100 -0.126 0.000 0.851 446 R CB 1.184 31.418 30.300 -0.110 0.000 1.168 446 R HN 0.570 nan 8.270 nan 0.000 0.472 447 Q N 3.963 123.748 119.800 -0.024 0.000 2.312 447 Q HA 0.295 4.635 4.340 -0.000 0.000 0.236 447 Q C -1.938 174.058 176.000 -0.008 0.000 0.965 447 Q CA -1.761 54.040 55.803 -0.004 0.000 0.894 447 Q CB 0.709 29.448 28.738 0.001 0.000 1.225 447 Q HN 0.494 nan 8.270 nan 0.000 0.478 448 P HA 0.030 nan 4.420 nan 0.000 0.271 448 P C -1.086 176.208 177.300 -0.010 0.000 1.220 448 P CA -0.124 62.969 63.100 -0.011 0.000 0.768 448 P CB 0.837 32.525 31.700 -0.020 0.000 0.848 449 S N 3.479 119.177 115.700 -0.004 0.000 2.399 449 S HA 0.272 4.742 4.470 -0.000 0.000 0.301 449 S C 0.447 175.033 174.600 -0.024 0.000 1.093 449 S CA -0.461 57.741 58.200 0.002 0.000 1.077 449 S CB -0.129 63.080 63.200 0.015 0.000 0.980 449 S HN 0.332 nan 8.310 nan 0.000 0.494 450 L N 1.830 123.026 121.223 -0.046 0.000 3.291 450 L HA 0.541 4.881 4.340 -0.000 0.000 0.307 450 L C -0.182 176.624 176.870 -0.106 0.000 1.303 450 L CA -0.147 54.634 54.840 -0.098 0.000 0.949 450 L CB -1.055 40.913 42.059 -0.151 0.000 1.375 450 L HN 0.640 nan 8.230 nan 0.000 0.596 451 H N -1.122 117.893 119.070 -0.091 0.000 3.037 451 H HA 0.377 4.933 4.556 -0.000 0.000 0.355 451 H C 0.204 175.464 175.328 -0.114 0.000 1.263 451 H CA -0.743 55.238 56.048 -0.113 0.000 1.129 451 H CB 2.595 32.282 29.762 -0.124 0.000 1.861 451 H HN -0.057 nan 8.280 nan 0.000 0.546 452 K N 1.367 121.761 120.400 -0.010 0.000 2.002 452 K HA -0.129 4.191 4.320 -0.000 0.000 0.209 452 K C 1.546 178.068 176.600 -0.130 0.000 1.048 452 K CA 1.847 58.081 56.287 -0.088 0.000 0.930 452 K CB -0.030 32.391 32.500 -0.131 0.000 0.714 452 K HN 0.480 nan 8.250 nan 0.000 0.438 453 M N 0.633 120.080 119.600 -0.254 0.000 2.435 453 M HA -0.114 4.366 4.480 -0.000 0.000 0.262 453 M C 1.824 177.923 176.300 -0.335 0.000 1.065 453 M CA 1.177 56.262 55.300 -0.359 0.000 1.076 453 M CB -0.179 32.093 32.600 -0.548 0.000 1.403 453 M HN -0.106 nan 8.290 nan 0.000 0.454 454 S N -0.117 115.516 115.700 -0.111 0.000 2.537 454 S HA 0.092 4.561 4.470 -0.000 0.000 0.240 454 S C 0.603 175.249 174.600 0.077 0.000 0.981 454 S CA 0.790 58.985 58.200 -0.008 0.000 0.948 454 S CB -0.262 62.977 63.200 0.065 0.000 0.759 454 S HN 0.438 nan 8.310 nan 0.000 0.531 455 M N 1.142 120.750 119.600 0.013 0.000 2.122 455 M HA 0.420 4.900 4.480 -0.000 0.000 0.269 455 M C -1.254 175.067 176.300 0.036 0.000 0.954 455 M CA 0.210 55.573 55.300 0.105 0.000 0.998 455 M CB 1.794 34.434 32.600 0.067 0.000 1.755 455 M HN 0.050 nan 8.290 nan 0.000 0.459 456 M N 1.642 121.311 119.600 0.116 0.000 2.644 456 M HA 0.755 5.235 4.480 -0.000 0.000 0.304 456 M C -0.241 176.005 176.300 -0.090 0.000 1.215 456 M CA -0.809 54.455 55.300 -0.060 0.000 0.871 456 M CB 2.574 35.048 32.600 -0.210 0.000 1.740 456 M HN 0.707 nan 8.290 nan 0.000 0.464 457 A N 1.623 124.346 122.820 -0.161 0.000 2.366 457 A HA 0.567 4.887 4.320 -0.000 0.000 0.272 457 A C -0.826 176.610 177.584 -0.247 0.000 1.135 457 A CA -0.221 51.743 52.037 -0.120 0.000 0.804 457 A CB 0.111 19.065 19.000 -0.077 0.000 1.064 457 A HN 0.828 nan 8.150 nan 0.000 0.499 458 H N 1.053 120.120 119.070 -0.006 0.000 2.824 458 H HA 0.483 5.039 4.556 -0.000 0.000 0.345 458 H C -0.465 174.817 175.328 -0.076 0.000 1.252 458 H CA -0.645 55.370 56.048 -0.054 0.000 1.246 458 H CB 1.416 31.093 29.762 -0.142 0.000 1.908 458 H HN 0.701 nan 8.280 nan 0.000 0.601 459 R N 0.460 121.008 120.500 0.079 0.000 2.346 459 R HA 0.358 4.698 4.340 -0.000 0.000 0.311 459 R C -0.598 175.682 176.300 -0.032 0.000 0.983 459 R CA -0.770 55.333 56.100 0.005 0.000 0.880 459 R CB 1.735 32.034 30.300 -0.000 0.000 1.100 459 R HN 0.141 nan 8.270 nan 0.000 0.453 460 V N 4.013 123.906 119.914 -0.035 0.000 2.508 460 V HA 0.078 4.198 4.120 -0.000 0.000 0.281 460 V C 0.119 176.191 176.094 -0.036 0.000 1.041 460 V CA 0.374 62.647 62.300 -0.044 0.000 1.016 460 V CB 0.957 32.771 31.823 -0.015 0.000 0.984 460 V HN 0.488 nan 8.190 nan 0.000 0.478 461 K N 5.220 125.588 120.400 -0.054 0.000 2.572 461 K HA 0.329 4.649 4.320 -0.000 0.000 0.244 461 K C -0.958 175.607 176.600 -0.058 0.000 0.965 461 K CA -0.520 55.738 56.287 -0.049 0.000 0.943 461 K CB 1.536 34.000 32.500 -0.059 0.000 1.154 461 K HN 0.473 nan 8.250 nan 0.000 0.447 462 V N 5.338 125.216 119.914 -0.060 0.000 2.485 462 V HA 0.270 4.390 4.120 -0.000 0.000 0.287 462 V C 0.860 176.876 176.094 -0.130 0.000 1.022 462 V CA -0.365 61.859 62.300 -0.126 0.000 1.067 462 V CB -0.709 30.971 31.823 -0.238 0.000 0.967 462 V HN 0.570 nan 8.190 nan 0.000 0.479 463 I N 2.767 123.264 120.570 -0.122 0.000 3.145 463 I HA 0.805 4.975 4.170 -0.000 0.000 0.313 463 I C -2.520 173.533 176.117 -0.107 0.000 1.122 463 I CA -2.657 58.589 61.300 -0.089 0.000 0.987 463 I CB 2.486 40.461 38.000 -0.043 0.000 1.236 463 I HN 0.371 nan 8.210 nan 0.000 0.453 464 P HA 0.243 nan 4.420 nan 0.000 0.297 464 P C -1.113 176.141 177.300 -0.076 0.000 1.303 464 P CA 0.131 63.122 63.100 -0.182 0.000 0.753 464 P CB 0.273 31.807 31.700 -0.276 0.000 1.281 465 Y N -2.931 117.312 120.300 -0.095 0.000 2.505 465 Y HA -0.216 4.334 4.550 -0.000 0.000 0.077 465 Y C 1.316 177.144 175.900 -0.120 0.000 1.700 465 Y CA 0.695 58.738 58.100 -0.095 0.000 1.420 465 Y CB -2.005 36.404 38.460 -0.085 0.000 2.065 465 Y HN 0.230 nan 8.280 nan 0.000 0.254 466 S N 0.199 115.927 115.700 0.047 0.000 2.859 466 S HA 0.219 4.689 4.470 -0.000 0.000 0.245 466 S C 0.117 174.635 174.600 -0.136 0.000 1.008 466 S CA 0.328 58.485 58.200 -0.072 0.000 1.089 466 S CB -0.693 62.466 63.200 -0.069 0.000 0.798 466 S HN 0.660 nan 8.310 nan 0.000 0.477 467 T N -1.409 113.073 114.554 -0.120 0.000 2.900 467 T HA 0.621 4.971 4.350 -0.000 0.000 0.295 467 T C -0.461 174.168 174.700 -0.119 0.000 1.044 467 T CA -0.834 61.173 62.100 -0.154 0.000 0.995 467 T CB 0.660 69.476 68.868 -0.087 0.000 1.072 467 T HN 0.124 nan 8.240 nan 0.000 0.473 468 F N 1.967 121.908 119.950 -0.016 0.000 2.502 468 F HA 0.310 4.837 4.527 -0.000 0.000 0.371 468 F C 1.473 177.233 175.800 -0.066 0.000 1.083 468 F CA -0.701 57.280 58.000 -0.031 0.000 1.174 468 F CB 0.565 39.650 39.000 0.141 0.000 1.096 468 F HN 0.244 nan 8.300 nan 0.000 0.545 469 R N 5.941 126.471 120.500 0.050 0.000 2.215 469 R HA 0.435 4.775 4.340 -0.000 0.000 0.336 469 R C -0.746 175.498 176.300 -0.093 0.000 0.996 469 R CA -0.751 55.315 56.100 -0.056 0.000 0.847 469 R CB 0.958 31.208 30.300 -0.083 0.000 1.127 469 R HN 0.603 nan 8.270 nan 0.000 0.465 470 L N -0.236 120.965 121.223 -0.038 0.000 2.334 470 L HA 0.579 4.919 4.340 -0.000 0.000 0.270 470 L C 0.118 177.010 176.870 0.037 0.000 1.018 470 L CA -1.167 53.649 54.840 -0.039 0.000 0.811 470 L CB 1.038 43.169 42.059 0.120 0.000 1.271 470 L HN 0.313 nan 8.230 nan 0.000 0.443 471 N N 1.174 119.892 118.700 0.031 0.000 2.482 471 N HA 0.147 4.887 4.740 -0.000 0.000 0.260 471 N C 0.579 176.184 175.510 0.159 0.000 1.236 471 N CA -0.017 53.080 53.050 0.079 0.000 0.938 471 N CB 1.207 39.727 38.487 0.055 0.000 1.128 471 N HN 0.922 nan 8.380 nan 0.000 0.448 472 L N 1.582 122.908 121.223 0.171 0.000 1.988 472 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 472 L C 2.207 179.172 176.870 0.158 0.000 1.071 472 L CA 1.087 56.050 54.840 0.205 0.000 0.744 472 L CB -0.490 41.685 42.059 0.193 0.000 0.893 472 L HN 0.565 nan 8.230 nan 0.000 0.433 473 S N -1.004 114.777 115.700 0.134 0.000 2.440 473 S HA -0.178 4.292 4.470 -0.000 0.000 0.240 473 S C 1.436 176.048 174.600 0.019 0.000 1.014 473 S CA 1.086 59.348 58.200 0.103 0.000 0.980 473 S CB -0.215 63.068 63.200 0.138 0.000 0.775 473 S HN 0.301 nan 8.310 nan 0.000 0.499 474 V N 1.246 121.194 119.914 0.056 0.000 3.499 474 V HA 0.092 4.212 4.120 -0.000 0.000 0.308 474 V C 1.711 177.959 176.094 0.256 0.000 1.319 474 V CA 0.740 63.110 62.300 0.117 0.000 1.194 474 V CB -0.446 31.532 31.823 0.259 0.000 1.072 474 V HN 0.452 nan 8.190 nan 0.000 0.426 475 T N 0.249 114.910 114.554 0.178 0.000 2.735 475 T HA -0.125 4.225 4.350 -0.000 0.000 0.256 475 T C 2.142 176.905 174.700 0.105 0.000 1.042 475 T CA 1.978 64.172 62.100 0.158 0.000 1.147 475 T CB -0.124 68.781 68.868 0.062 0.000 0.865 475 T HN 0.790 nan 8.240 nan 0.000 0.421 476 S N 1.800 117.530 115.700 0.051 0.000 2.419 476 S HA -0.051 4.419 4.470 -0.000 0.000 0.235 476 S C -0.756 173.850 174.600 0.009 0.000 1.019 476 S CA 0.972 59.187 58.200 0.025 0.000 0.982 476 S CB -1.672 61.540 63.200 0.020 0.000 0.789 476 S HN 0.459 nan 8.310 nan 0.000 0.490 477 P HA 0.008 nan 4.420 nan 0.000 0.215 477 P C 0.905 178.122 177.300 -0.138 0.000 1.157 477 P CA 0.955 63.955 63.100 -0.168 0.000 0.859 477 P CB -0.180 31.314 31.700 -0.344 0.000 0.786 478 Y N -1.495 118.808 120.300 0.005 0.000 2.352 478 Y HA -0.038 4.512 4.550 -0.000 0.000 0.292 478 Y C 0.926 176.815 175.900 -0.017 0.000 1.136 478 Y CA 0.813 58.906 58.100 -0.012 0.000 1.227 478 Y CB -0.500 37.932 38.460 -0.047 0.000 0.991 478 Y HN -0.000 nan 8.280 nan 0.000 0.545 479 N N 0.070 118.843 118.700 0.121 0.000 2.765 479 N HA -0.153 4.587 4.740 -0.000 0.000 0.254 479 N C -1.238 174.280 175.510 0.013 0.000 1.094 479 N CA 0.573 53.649 53.050 0.043 0.000 0.680 479 N CB -1.091 37.411 38.487 0.026 0.000 0.902 479 N HN 0.329 nan 8.380 nan 0.000 0.557 480 A N 1.318 124.129 122.820 -0.016 0.000 2.401 480 A HA 0.730 5.050 4.320 -0.000 0.000 0.310 480 A C -0.409 177.009 177.584 -0.276 0.000 1.075 480 A CA -0.129 51.848 52.037 -0.100 0.000 0.746 480 A CB 1.324 20.283 19.000 -0.068 0.000 1.277 480 A HN 0.588 nan 8.150 nan 0.000 0.425 481 D N -1.038 119.175 120.400 -0.312 0.000 2.654 481 D HA 0.604 5.244 4.640 -0.000 0.000 0.255 481 D C -0.513 175.496 176.300 -0.484 0.000 1.101 481 D CA -0.529 53.184 54.000 -0.479 0.000 1.116 481 D CB 0.630 41.302 40.800 -0.212 0.000 1.348 481 D HN 0.290 nan 8.370 nan 0.000 0.609 482 F N -0.793 119.168 119.950 0.019 0.000 2.668 482 F HA 0.150 4.677 4.527 -0.000 0.000 0.301 482 F C 0.742 176.547 175.800 0.009 0.000 1.106 482 F CA -0.771 57.238 58.000 0.016 0.000 1.289 482 F CB 0.417 39.428 39.000 0.018 0.000 1.006 482 F HN 0.254 nan 8.300 nan 0.000 0.535 483 D N 0.338 120.802 120.400 0.107 0.000 2.488 483 D HA 0.096 4.736 4.640 -0.000 0.000 0.260 483 D C 1.495 177.832 176.300 0.062 0.000 1.273 483 D CA 0.626 54.667 54.000 0.068 0.000 0.912 483 D CB -0.389 40.425 40.800 0.024 0.000 0.982 483 D HN 0.384 nan 8.370 nan 0.000 0.492 484 G N -0.035 108.821 108.800 0.092 0.000 2.131 484 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.201 484 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.201 484 G C -0.571 174.368 174.900 0.064 0.000 1.000 484 G CA -0.361 44.779 45.100 0.067 0.000 0.680 484 G HN 0.400 nan 8.290 nan 0.000 0.514 485 D N 1.091 121.542 120.400 0.085 0.000 2.389 485 D HA 0.471 5.111 4.640 -0.000 0.000 0.247 485 D C 0.791 177.139 176.300 0.080 0.000 1.128 485 D CA 0.437 54.474 54.000 0.061 0.000 0.884 485 D CB 0.816 41.641 40.800 0.042 0.000 1.194 485 D HN 0.520 nan 8.370 nan 0.000 0.441 486 E N 1.302 121.531 120.200 0.050 0.000 2.232 486 E HA 0.602 4.952 4.350 -0.000 0.000 0.265 486 E C -0.184 176.430 176.600 0.024 0.000 1.001 486 E CA -0.737 55.702 56.400 0.066 0.000 0.870 486 E CB 1.719 31.449 29.700 0.051 0.000 1.175 486 E HN 0.285 nan 8.360 nan 0.000 0.407 487 M N 1.393 121.030 119.600 0.062 0.000 2.470 487 M HA 0.335 4.815 4.480 -0.000 0.000 0.285 487 M C -1.371 174.870 176.300 -0.100 0.000 1.213 487 M CA -0.982 54.227 55.300 -0.152 0.000 0.901 487 M CB 2.238 34.544 32.600 -0.491 0.000 1.718 487 M HN 0.353 nan 8.290 nan 0.000 0.469 488 N N 1.933 120.481 118.700 -0.254 0.000 2.430 488 N HA 0.663 5.402 4.740 -0.000 0.000 0.292 488 N C -1.486 173.844 175.510 -0.299 0.000 1.051 488 N CA -0.486 52.439 53.050 -0.208 0.000 0.917 488 N CB 1.749 40.125 38.487 -0.185 0.000 1.164 488 N HN 0.450 nan 8.380 nan 0.000 0.484 489 L N 2.634 123.695 121.223 -0.271 0.000 2.341 489 L HA 0.437 4.777 4.340 -0.000 0.000 0.278 489 L C -1.001 175.704 176.870 -0.276 0.000 1.005 489 L CA -0.448 54.281 54.840 -0.185 0.000 0.818 489 L CB 0.867 42.814 42.059 -0.187 0.000 1.259 489 L HN 0.511 nan 8.230 nan 0.000 0.418 490 H N 3.864 122.998 119.070 0.107 0.000 2.524 490 H HA 0.587 5.142 4.556 -0.000 0.000 0.353 490 H C -1.084 174.314 175.328 0.117 0.000 1.136 490 H CA -0.614 55.505 56.048 0.118 0.000 1.193 490 H CB 2.369 32.186 29.762 0.092 0.000 1.558 490 H HN 0.369 nan 8.280 nan 0.000 0.515 491 V N 5.908 125.993 119.914 0.285 0.000 2.384 491 V HA 0.187 4.307 4.120 -0.000 0.000 0.287 491 V C -1.694 174.485 176.094 0.142 0.000 1.020 491 V CA -1.517 60.909 62.300 0.209 0.000 0.850 491 V CB 1.703 33.697 31.823 0.285 0.000 0.987 491 V HN 0.657 nan 8.190 nan 0.000 0.436 492 P HA 0.043 nan 4.420 nan 0.000 0.273 492 P C -0.491 176.853 177.300 0.073 0.000 1.252 492 P CA 0.227 63.348 63.100 0.035 0.000 0.809 492 P CB 1.283 32.979 31.700 -0.007 0.000 1.017 493 Q N -1.998 117.856 119.800 0.089 0.000 2.024 493 Q HA 0.174 4.514 4.340 -0.000 0.000 0.227 493 Q C 0.110 176.178 176.000 0.112 0.000 0.720 493 Q CA 0.163 56.011 55.803 0.074 0.000 0.884 493 Q CB 0.362 28.963 28.738 -0.228 0.000 1.212 493 Q HN 0.444 nan 8.270 nan 0.000 0.450 494 S N -0.317 115.451 115.700 0.114 0.000 2.482 494 S HA 0.304 4.774 4.470 -0.000 0.000 0.303 494 S C 0.572 175.255 174.600 0.138 0.000 1.091 494 S CA -0.348 57.900 58.200 0.081 0.000 1.057 494 S CB 1.437 64.646 63.200 0.016 0.000 1.031 494 S HN 0.205 nan 8.310 nan 0.000 0.485 495 E N 2.755 123.044 120.200 0.148 0.000 2.208 495 E HA -0.249 4.101 4.350 -0.000 0.000 0.202 495 E C 1.525 178.169 176.600 0.074 0.000 1.014 495 E CA 2.552 59.033 56.400 0.135 0.000 0.819 495 E CB -0.023 29.743 29.700 0.109 0.000 0.735 495 E HN 0.866 nan 8.360 nan 0.000 0.469 496 E N -2.167 118.066 120.200 0.054 0.000 2.250 496 E HA -0.026 4.324 4.350 -0.000 0.000 0.192 496 E C 1.950 178.561 176.600 0.020 0.000 0.986 496 E CA 1.083 57.503 56.400 0.033 0.000 0.849 496 E CB -0.330 29.386 29.700 0.026 0.000 0.797 496 E HN 0.010 nan 8.360 nan 0.000 0.482 497 T N 1.411 115.978 114.554 0.022 0.000 2.674 497 T HA -0.130 4.220 4.350 -0.000 0.000 0.265 497 T C 1.775 176.475 174.700 0.000 0.000 1.039 497 T CA 1.797 63.901 62.100 0.007 0.000 1.150 497 T CB -0.183 68.691 68.868 0.010 0.000 0.864 497 T HN 0.243 nan 8.240 nan 0.000 0.427 498 R N 1.675 122.177 120.500 0.002 0.000 2.115 498 R HA -0.143 4.197 4.340 -0.000 0.000 0.239 498 R C 2.745 179.033 176.300 -0.020 0.000 1.133 498 R CA 1.566 57.649 56.100 -0.028 0.000 0.935 498 R CB -1.055 29.211 30.300 -0.057 0.000 0.853 498 R HN 0.371 nan 8.270 nan 0.000 0.433 499 A N 1.772 124.589 122.820 -0.006 0.000 1.909 499 A HA -0.310 4.010 4.320 -0.000 0.000 0.221 499 A C 2.120 179.698 177.584 -0.010 0.000 1.223 499 A CA 2.134 54.169 52.037 -0.003 0.000 0.658 499 A CB -0.774 18.233 19.000 0.012 0.000 0.831 499 A HN 0.512 nan 8.150 nan 0.000 0.462 500 E N -0.882 119.312 120.200 -0.010 0.000 2.209 500 E HA -0.174 4.176 4.350 -0.000 0.000 0.196 500 E C 1.924 178.507 176.600 -0.028 0.000 0.993 500 E CA 1.125 57.513 56.400 -0.019 0.000 0.819 500 E CB -0.202 29.484 29.700 -0.024 0.000 0.745 500 E HN 0.703 nan 8.360 nan 0.000 0.477 501 L N -0.065 121.142 121.223 -0.027 0.000 2.084 501 L HA -0.112 4.228 4.340 -0.000 0.000 0.202 501 L C 2.669 179.515 176.870 -0.040 0.000 1.074 501 L CA 1.107 55.928 54.840 -0.032 0.000 0.757 501 L CB -0.393 41.652 42.059 -0.023 0.000 0.918 501 L HN 0.132 nan 8.230 nan 0.000 0.444 502 S N -0.931 114.748 115.700 -0.036 0.000 2.419 502 S HA -0.172 4.297 4.470 -0.000 0.000 0.233 502 S C 1.748 176.327 174.600 -0.035 0.000 1.016 502 S CA 0.795 58.973 58.200 -0.037 0.000 0.974 502 S CB -0.220 62.962 63.200 -0.031 0.000 0.786 502 S HN 0.388 nan 8.310 nan 0.000 0.492 503 Q N 0.018 119.799 119.800 -0.031 0.000 2.356 503 Q HA 0.410 4.750 4.340 -0.000 0.000 0.205 503 Q C 0.910 176.884 176.000 -0.044 0.000 0.901 503 Q CA 0.370 56.155 55.803 -0.030 0.000 0.938 503 Q CB 0.265 28.993 28.738 -0.016 0.000 1.081 503 Q HN 0.564 nan 8.270 nan 0.000 0.517 504 L N -2.614 118.578 121.223 -0.052 0.000 3.195 504 L HA 0.129 4.469 4.340 -0.000 0.000 0.290 504 L C 1.285 178.110 176.870 -0.076 0.000 1.092 504 L CA 0.393 55.194 54.840 -0.066 0.000 1.094 504 L CB 0.211 42.231 42.059 -0.064 0.000 1.743 504 L HN -0.034 nan 8.230 nan 0.000 0.579 505 C N 0.714 119.971 119.300 -0.072 0.000 2.906 505 C HA 0.633 5.093 4.460 -0.000 0.000 0.274 505 C C 1.424 176.349 174.990 -0.108 0.000 1.257 505 C CA -0.836 58.131 59.018 -0.085 0.000 1.695 505 C CB -0.908 26.793 27.740 -0.064 0.000 1.958 505 C HN 0.343 nan 8.230 nan 0.000 0.619 506 A N 1.333 124.095 122.820 -0.097 0.000 2.524 506 A HA 0.341 4.661 4.320 -0.000 0.000 0.250 506 A C 1.438 178.940 177.584 -0.136 0.000 1.078 506 A CA 0.258 52.229 52.037 -0.111 0.000 0.761 506 A CB 0.242 19.198 19.000 -0.075 0.000 1.012 506 A HN 0.290 nan 8.150 nan 0.000 0.500 507 V N 4.382 124.182 119.914 -0.190 0.000 2.313 507 V HA -0.257 3.863 4.120 -0.000 0.000 0.253 507 V C -0.275 175.735 176.094 -0.141 0.000 1.070 507 V CA 2.823 65.008 62.300 -0.191 0.000 1.057 507 V CB -1.591 30.117 31.823 -0.191 0.000 0.653 507 V HN 0.812 nan 8.190 nan 0.000 0.450 508 P HA -0.145 nan 4.420 nan 0.000 0.218 508 P C 1.851 179.114 177.300 -0.061 0.000 1.148 508 P CA 1.389 64.449 63.100 -0.066 0.000 0.822 508 P CB -0.055 31.624 31.700 -0.034 0.000 0.784 509 L N -1.140 120.037 121.223 -0.076 0.000 2.109 509 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 509 L C 2.281 179.093 176.870 -0.096 0.000 1.086 509 L CA 1.113 55.908 54.840 -0.075 0.000 0.760 509 L CB -0.770 41.244 42.059 -0.076 0.000 0.910 509 L HN -0.073 nan 8.230 nan 0.000 0.437 510 Q N -0.107 119.617 119.800 -0.127 0.000 2.436 510 Q HA -0.047 4.293 4.340 -0.000 0.000 0.209 510 Q C 2.177 178.091 176.000 -0.143 0.000 0.965 510 Q CA 0.794 56.505 55.803 -0.155 0.000 0.910 510 Q CB -0.166 28.449 28.738 -0.205 0.000 0.980 510 Q HN 0.567 nan 8.270 nan 0.000 0.491 511 I N -0.121 120.386 120.570 -0.106 0.000 2.147 511 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 511 I C 0.785 176.867 176.117 -0.059 0.000 1.059 511 I CA 1.127 62.390 61.300 -0.061 0.000 1.320 511 I CB -0.214 37.797 38.000 0.018 0.000 1.021 511 I HN -0.063 nan 8.210 nan 0.000 0.415 512 V N 0.942 120.811 119.914 -0.074 0.000 2.398 512 V HA 0.213 4.333 4.120 -0.000 0.000 0.286 512 V C 0.050 176.070 176.094 -0.123 0.000 1.026 512 V CA -0.253 61.986 62.300 -0.101 0.000 0.868 512 V CB 1.585 33.361 31.823 -0.078 0.000 0.982 512 V HN 0.262 nan 8.190 nan 0.000 0.443 513 S N 7.159 122.779 115.700 -0.134 0.000 2.475 513 S HA 0.537 5.007 4.470 -0.000 0.000 0.298 513 S C -1.394 173.163 174.600 -0.073 0.000 1.119 513 S CA -1.547 56.582 58.200 -0.119 0.000 1.085 513 S CB 1.991 65.101 63.200 -0.150 0.000 1.028 513 S HN 0.618 nan 8.310 nan 0.000 0.489 514 P HA -0.103 nan 4.420 nan 0.000 0.229 514 P C 0.944 178.368 177.300 0.207 0.000 1.160 514 P CA 0.745 63.895 63.100 0.083 0.000 0.777 514 P CB -0.018 31.757 31.700 0.125 0.000 0.814 515 Q N 1.272 121.123 119.800 0.086 0.000 2.500 515 Q HA -0.026 4.314 4.340 -0.000 0.000 0.213 515 Q C 0.733 176.735 176.000 0.003 0.000 0.974 515 Q CA 1.514 57.356 55.803 0.064 0.000 0.918 515 Q CB -0.476 28.225 28.738 -0.062 0.000 0.980 515 Q HN 0.216 nan 8.270 nan 0.000 0.505 516 S N -0.845 114.796 115.700 -0.098 0.000 2.795 516 S HA 0.070 4.540 4.470 -0.000 0.000 0.230 516 S C -0.445 174.004 174.600 -0.252 0.000 0.749 516 S CA -0.349 57.650 58.200 -0.336 0.000 1.066 516 S CB -1.482 61.547 63.200 -0.284 0.000 1.466 516 S HN 0.593 nan 8.310 nan 0.000 0.502 517 N N 2.066 120.692 118.700 -0.124 0.000 2.712 517 N HA -0.303 4.436 4.740 -0.000 0.000 0.261 517 N C -0.423 175.024 175.510 -0.104 0.000 0.950 517 N CA 1.852 54.871 53.050 -0.051 0.000 0.821 517 N CB -1.569 36.944 38.487 0.043 0.000 0.919 517 N HN 0.997 nan 8.380 nan 0.000 0.551 518 K N -2.472 117.799 120.400 -0.214 0.000 2.551 518 K HA 0.523 4.843 4.320 -0.000 0.000 0.269 518 K C -3.260 173.145 176.600 -0.326 0.000 0.949 518 K CA -2.061 53.979 56.287 -0.412 0.000 0.849 518 K CB 2.480 34.851 32.500 -0.216 0.000 1.411 518 K HN -0.116 nan 8.250 nan 0.000 0.432 519 P HA -0.080 nan 4.420 nan 0.000 0.267 519 P C 0.594 177.834 177.300 -0.100 0.000 1.201 519 P CA -0.191 62.816 63.100 -0.156 0.000 0.775 519 P CB 0.396 32.057 31.700 -0.065 0.000 0.854 520 C N 0.808 120.062 119.300 -0.078 0.000 2.994 520 C HA 0.589 5.049 4.460 -0.000 0.000 0.284 520 C C 0.271 175.233 174.990 -0.048 0.000 1.404 520 C CA -0.543 58.426 59.018 -0.082 0.000 1.775 520 C CB -1.390 26.259 27.740 -0.153 0.000 2.458 520 C HN 0.399 nan 8.230 nan 0.000 0.593 521 M N 0.592 120.203 119.600 0.019 0.000 2.484 521 M HA 0.658 5.138 4.480 -0.000 0.000 0.289 521 M C 0.226 176.670 176.300 0.240 0.000 1.206 521 M CA 0.190 55.532 55.300 0.070 0.000 0.892 521 M CB 2.273 34.850 32.600 -0.039 0.000 1.712 521 M HN 0.288 nan 8.290 nan 0.000 0.462 522 G N 1.646 110.607 108.800 0.270 0.000 3.354 522 G HA2 0.802 4.762 3.960 -0.000 0.000 0.174 522 G HA3 0.802 4.762 3.960 -0.000 0.000 0.174 522 G C -1.301 173.773 174.900 0.290 0.000 1.140 522 G CA -0.443 44.817 45.100 0.266 0.000 0.897 522 G HN 0.569 nan 8.290 nan 0.000 0.685 523 I N 0.915 121.562 120.570 0.127 0.000 2.569 523 I HA 0.504 4.674 4.170 -0.000 0.000 0.290 523 I C -0.561 175.600 176.117 0.073 0.000 1.088 523 I CA -0.679 60.684 61.300 0.106 0.000 1.047 523 I CB 2.144 40.157 38.000 0.022 0.000 1.237 523 I HN 0.198 nan 8.210 nan 0.000 0.421 524 V N 4.072 124.035 119.914 0.082 0.000 3.139 524 V HA 0.519 4.639 4.120 -0.000 0.000 0.310 524 V C 0.178 176.303 176.094 0.051 0.000 1.260 524 V CA -0.684 61.650 62.300 0.058 0.000 1.064 524 V CB 1.278 33.137 31.823 0.060 0.000 1.160 524 V HN 0.867 nan 8.190 nan 0.000 0.470 525 Q N -0.015 119.811 119.800 0.045 0.000 2.012 525 Q HA -0.345 3.994 4.340 -0.000 0.000 0.448 525 Q C 1.111 177.125 176.000 0.024 0.000 0.804 525 Q CA 2.073 57.904 55.803 0.046 0.000 0.803 525 Q CB -1.578 27.204 28.738 0.073 0.000 3.809 525 Q HN 0.963 nan 8.270 nan 0.000 0.841 526 D N 0.530 120.954 120.400 0.040 0.000 2.495 526 D HA -0.192 4.448 4.640 -0.000 0.000 0.201 526 D C 1.955 178.260 176.300 0.008 0.000 1.041 526 D CA 2.892 56.904 54.000 0.021 0.000 0.890 526 D CB -0.946 39.887 40.800 0.055 0.000 1.089 526 D HN 0.677 nan 8.370 nan 0.000 0.471 527 T N 0.466 115.042 114.554 0.037 0.000 2.684 527 T HA -0.256 4.094 4.350 -0.000 0.000 0.267 527 T C 1.760 176.457 174.700 -0.004 0.000 1.032 527 T CA 1.665 63.783 62.100 0.030 0.000 1.155 527 T CB -0.443 68.459 68.868 0.057 0.000 0.857 527 T HN 0.084 nan 8.240 nan 0.000 0.457 528 L N 0.988 122.206 121.223 -0.008 0.000 2.022 528 L HA 0.152 4.492 4.340 -0.000 0.000 0.204 528 L C 2.745 179.576 176.870 -0.065 0.000 1.076 528 L CA 1.465 56.286 54.840 -0.031 0.000 0.749 528 L CB -1.585 40.466 42.059 -0.014 0.000 0.903 528 L HN 0.448 nan 8.230 nan 0.000 0.439 529 C N 0.644 119.893 119.300 -0.085 0.000 2.385 529 C HA -0.167 4.292 4.460 -0.000 0.000 0.275 529 C C 2.742 177.623 174.990 -0.181 0.000 1.199 529 C CA 1.293 60.211 59.018 -0.168 0.000 1.782 529 C CB -1.793 25.789 27.740 -0.263 0.000 2.068 529 C HN 0.732 nan 8.230 nan 0.000 0.471 530 G N -0.580 108.153 108.800 -0.110 0.000 2.430 530 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.216 530 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.216 530 G C 1.558 176.414 174.900 -0.072 0.000 1.146 530 G CA 0.672 45.769 45.100 -0.005 0.000 0.793 530 G HN 0.647 nan 8.290 nan 0.000 0.537 531 I N 0.281 120.790 120.570 -0.102 0.000 2.756 531 I HA -0.033 4.137 4.170 -0.000 0.000 0.262 531 I C 2.634 178.642 176.117 -0.181 0.000 1.225 531 I CA 0.830 62.035 61.300 -0.160 0.000 1.472 531 I CB -0.005 37.923 38.000 -0.119 0.000 1.094 531 I HN 0.201 nan 8.210 nan 0.000 0.454 532 R N 1.004 121.420 120.500 -0.140 0.000 2.052 532 R HA -0.111 4.229 4.340 -0.000 0.000 0.226 532 R C 2.230 178.447 176.300 -0.138 0.000 1.145 532 R CA 1.057 57.083 56.100 -0.123 0.000 0.952 532 R CB -0.179 30.069 30.300 -0.086 0.000 0.847 532 R HN 0.173 nan 8.270 nan 0.000 0.431 533 K N 0.766 121.106 120.400 -0.101 0.000 2.001 533 K HA -0.209 4.111 4.320 -0.000 0.000 0.214 533 K C 2.086 178.546 176.600 -0.232 0.000 1.050 533 K CA 1.759 58.027 56.287 -0.031 0.000 0.934 533 K CB -0.608 32.003 32.500 0.184 0.000 0.718 533 K HN 0.168 nan 8.250 nan 0.000 0.443 534 L N 1.594 122.410 121.223 -0.678 0.000 2.357 534 L HA -0.204 4.136 4.340 -0.000 0.000 0.220 534 L C 1.912 178.423 176.870 -0.600 0.000 1.123 534 L CA 1.737 55.855 54.840 -1.204 0.000 0.782 534 L CB -0.434 40.772 42.059 -1.422 0.000 0.910 534 L HN 0.154 nan 8.230 nan 0.000 0.442 535 T N -0.768 113.568 114.554 -0.363 0.000 2.818 535 T HA 0.136 4.486 4.350 -0.000 0.000 0.246 535 T C 0.698 175.285 174.700 -0.189 0.000 1.036 535 T CA -0.001 61.949 62.100 -0.249 0.000 1.160 535 T CB -0.181 68.575 68.868 -0.187 0.000 0.869 535 T HN 0.163 nan 8.240 nan 0.000 0.419 536 L N 2.638 123.784 121.223 -0.129 0.000 3.605 536 L HA -0.235 4.104 4.340 -0.000 0.000 0.434 536 L C 1.733 178.549 176.870 -0.090 0.000 1.161 536 L CA 0.082 54.877 54.840 -0.074 0.000 0.727 536 L CB 0.159 42.204 42.059 -0.023 0.000 1.020 536 L HN 0.296 nan 8.230 nan 0.000 0.781 537 R N 1.988 122.453 120.500 -0.058 0.000 2.134 537 R HA -0.260 4.080 4.340 -0.000 0.000 0.248 537 R C 1.629 177.914 176.300 -0.024 0.000 1.143 537 R CA 2.136 58.199 56.100 -0.063 0.000 0.957 537 R CB -0.349 29.958 30.300 0.011 0.000 0.867 537 R HN 0.743 nan 8.270 nan 0.000 0.441 538 D N 0.205 120.653 120.400 0.080 0.000 2.190 538 D HA -0.097 4.543 4.640 -0.000 0.000 0.200 538 D C -0.063 176.405 176.300 0.280 0.000 0.992 538 D CA 1.014 55.133 54.000 0.198 0.000 0.854 538 D CB -0.023 40.854 40.800 0.129 0.000 0.936 538 D HN 0.046 nan 8.370 nan 0.000 0.462 539 T N 0.667 115.279 114.554 0.096 0.000 2.729 539 T HA 0.297 4.647 4.350 -0.000 0.000 0.296 539 T C -0.466 174.215 174.700 -0.031 0.000 0.928 539 T CA -0.238 61.935 62.100 0.120 0.000 1.045 539 T CB 0.080 68.984 68.868 0.060 0.000 0.902 539 T HN -0.136 nan 8.240 nan 0.000 0.500 540 F N 2.723 122.736 119.950 0.105 0.000 2.538 540 F HA 0.681 5.208 4.527 -0.000 0.000 0.325 540 F C 0.254 176.161 175.800 0.179 0.000 1.066 540 F CA -1.390 56.682 58.000 0.119 0.000 0.946 540 F CB 1.341 40.395 39.000 0.091 0.000 1.199 540 F HN 0.308 nan 8.300 nan 0.000 0.473 541 I N 1.345 122.150 120.570 0.391 0.000 2.582 541 I HA 0.322 4.492 4.170 -0.000 0.000 0.292 541 I C -0.894 175.488 176.117 0.443 0.000 1.066 541 I CA -0.840 60.670 61.300 0.350 0.000 1.053 541 I CB 2.247 40.404 38.000 0.261 0.000 1.241 541 I HN 0.621 nan 8.210 nan 0.000 0.421 542 E N 5.440 125.843 120.200 0.337 0.000 2.214 542 E HA 0.255 4.605 4.350 -0.000 0.000 0.274 542 E C 0.627 177.377 176.600 0.249 0.000 0.977 542 E CA -0.788 55.843 56.400 0.385 0.000 0.827 542 E CB 2.206 32.059 29.700 0.254 0.000 1.130 542 E HN 0.429 nan 8.360 nan 0.000 0.394 543 L N 3.229 124.669 121.223 0.362 0.000 2.274 543 L HA -0.436 3.903 4.340 -0.000 0.000 0.248 543 L C 1.994 178.829 176.870 -0.058 0.000 1.118 543 L CA 3.110 57.968 54.840 0.030 0.000 0.837 543 L CB -1.105 41.092 42.059 0.230 0.000 0.973 543 L HN 1.045 nan 8.230 nan 0.000 0.435 544 D N -1.267 119.155 120.400 0.038 0.000 2.565 544 D HA -0.372 4.268 4.640 -0.000 0.000 0.189 544 D C 1.889 178.204 176.300 0.025 0.000 1.052 544 D CA 2.683 56.704 54.000 0.035 0.000 0.889 544 D CB -0.689 40.148 40.800 0.062 0.000 0.911 544 D HN 0.811 nan 8.370 nan 0.000 0.464 545 Q N -0.145 119.673 119.800 0.030 0.000 2.134 545 Q HA 0.015 4.355 4.340 -0.000 0.000 0.195 545 Q C 2.556 178.544 176.000 -0.020 0.000 0.958 545 Q CA 0.569 56.406 55.803 0.057 0.000 0.840 545 Q CB 0.262 29.045 28.738 0.075 0.000 0.918 545 Q HN 0.198 nan 8.270 nan 0.000 0.467 546 V N 1.643 121.463 119.914 -0.156 0.000 2.660 546 V HA -0.276 3.844 4.120 -0.000 0.000 0.257 546 V C 2.123 177.978 176.094 -0.399 0.000 1.088 546 V CA 1.293 63.377 62.300 -0.361 0.000 1.106 546 V CB -0.489 30.827 31.823 -0.845 0.000 0.686 546 V HN 0.388 nan 8.190 nan 0.000 0.481 547 L N -0.569 120.480 121.223 -0.291 0.000 2.068 547 L HA -0.065 4.275 4.340 -0.000 0.000 0.204 547 L C 2.450 179.218 176.870 -0.171 0.000 1.076 547 L CA 1.279 55.964 54.840 -0.258 0.000 0.753 547 L CB -0.648 41.326 42.059 -0.142 0.000 0.910 547 L HN 0.356 nan 8.230 nan 0.000 0.439 548 N N 0.137 118.824 118.700 -0.021 0.000 2.142 548 N HA -0.150 4.590 4.740 -0.000 0.000 0.186 548 N C 1.927 177.433 175.510 -0.006 0.000 1.023 548 N CA 1.342 54.435 53.050 0.072 0.000 0.852 548 N CB -0.128 38.489 38.487 0.215 0.000 0.998 548 N HN 0.291 nan 8.380 nan 0.000 0.424 549 M N 0.655 120.266 119.600 0.018 0.000 2.108 549 M HA -0.144 4.336 4.480 -0.000 0.000 0.261 549 M C 2.057 178.263 176.300 -0.156 0.000 1.066 549 M CA 1.258 56.540 55.300 -0.030 0.000 1.107 549 M CB -0.256 32.351 32.600 0.010 0.000 1.356 549 M HN 0.103 nan 8.290 nan 0.000 0.406 550 L N -1.625 119.374 121.223 -0.373 0.000 2.017 550 L HA -0.257 4.083 4.340 -0.000 0.000 0.208 550 L C 2.563 179.127 176.870 -0.509 0.000 1.073 550 L CA 1.285 55.654 54.840 -0.785 0.000 0.745 550 L CB -0.967 40.165 42.059 -1.545 0.000 0.894 550 L HN 0.259 nan 8.230 nan 0.000 0.432 551 Y N -0.359 119.698 120.300 -0.404 0.000 2.256 551 Y HA -0.277 4.273 4.550 -0.000 0.000 0.288 551 Y C 2.093 177.992 175.900 -0.003 0.000 1.155 551 Y CA 0.977 59.022 58.100 -0.091 0.000 1.203 551 Y CB -0.547 37.895 38.460 -0.030 0.000 0.980 551 Y HN 0.111 nan 8.280 nan 0.000 0.530 552 W N -0.215 120.917 121.300 -0.281 0.000 2.381 552 W HA -0.022 4.638 4.660 -0.000 0.000 0.301 552 W C 0.799 177.197 176.519 -0.201 0.000 1.205 552 W CA 1.359 58.505 57.345 -0.333 0.000 1.285 552 W CB -0.867 28.381 29.460 -0.354 0.000 1.133 552 W HN -0.384 nan 8.180 nan 0.000 0.521 553 V N 4.868 124.840 119.914 0.097 0.000 2.400 553 V HA -0.070 4.050 4.120 -0.000 0.000 0.263 553 V C -0.736 175.411 176.094 0.089 0.000 1.026 553 V CA -0.549 61.804 62.300 0.089 0.000 1.077 553 V CB 0.034 31.915 31.823 0.097 0.000 1.054 553 V HN -0.019 nan 8.190 nan 0.000 0.477 554 P HA -0.185 nan 4.420 nan 0.000 0.218 554 P C 0.479 177.818 177.300 0.065 0.000 1.146 554 P CA 1.352 64.440 63.100 -0.020 0.000 0.820 554 P CB 0.333 31.996 31.700 -0.061 0.000 0.778 555 D N -1.666 118.792 120.400 0.098 0.000 2.587 555 D HA 0.033 4.672 4.640 -0.000 0.000 0.233 555 D C 0.059 176.462 176.300 0.172 0.000 1.213 555 D CA -0.389 53.672 54.000 0.101 0.000 0.827 555 D CB -0.523 40.319 40.800 0.069 0.000 1.006 555 D HN 0.217 nan 8.370 nan 0.000 0.490 556 W N 3.707 125.021 121.300 0.024 0.000 2.253 556 W HA 0.053 4.713 4.660 -0.000 0.000 0.322 556 W C 1.003 177.544 176.519 0.036 0.000 1.342 556 W CA -1.027 56.340 57.345 0.037 0.000 1.218 556 W CB 0.708 30.205 29.460 0.061 0.000 1.205 556 W HN -0.032 nan 8.180 nan 0.000 0.551 557 D N 3.619 123.819 120.400 -0.332 0.000 2.371 557 D HA 0.006 4.646 4.640 -0.000 0.000 0.234 557 D C 1.429 177.228 176.300 -0.835 0.000 1.049 557 D CA 0.643 54.391 54.000 -0.421 0.000 0.907 557 D CB -0.646 40.029 40.800 -0.208 0.000 0.891 557 D HN 0.813 nan 8.370 nan 0.000 0.531 558 G N 0.013 107.638 108.800 -1.957 0.000 2.273 558 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.280 558 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.280 558 G C 0.015 174.180 174.900 -1.225 0.000 1.047 558 G CA 0.235 43.920 45.100 -2.360 0.000 0.869 558 G HN 0.386 nan 8.290 nan 0.000 0.502 559 V N 2.473 121.942 119.914 -0.742 0.000 2.289 559 V HA 0.310 4.430 4.120 -0.000 0.000 0.272 559 V C 1.032 177.389 176.094 0.439 0.000 1.026 559 V CA -0.840 61.453 62.300 -0.011 0.000 0.807 559 V CB 0.882 32.693 31.823 -0.020 0.000 1.044 559 V HN 0.475 nan 8.190 nan 0.000 0.443 560 I N 4.582 125.463 120.570 0.519 0.000 2.818 560 I HA 0.137 4.307 4.170 -0.000 0.000 0.285 560 I C -1.426 174.886 176.117 0.326 0.000 1.160 560 I CA -1.049 60.498 61.300 0.412 0.000 1.370 560 I CB -0.391 37.781 38.000 0.286 0.000 1.440 560 I HN 0.358 nan 8.210 nan 0.000 0.555 561 P HA 0.010 nan 4.420 nan 0.000 0.265 561 P C -0.087 177.478 177.300 0.442 0.000 1.193 561 P CA -0.012 63.277 63.100 0.316 0.000 0.765 561 P CB 0.410 32.275 31.700 0.276 0.000 0.823 562 T N 4.528 119.251 114.554 0.281 0.000 2.871 562 T HA 0.112 4.462 4.350 -0.000 0.000 0.296 562 T C -2.062 172.700 174.700 0.103 0.000 0.998 562 T CA -0.742 61.475 62.100 0.196 0.000 1.162 562 T CB -0.986 67.938 68.868 0.094 0.000 0.947 562 T HN 0.370 nan 8.240 nan 0.000 0.536 563 P HA 0.153 nan 4.420 nan 0.000 0.265 563 P C 0.515 177.581 177.300 -0.389 0.000 1.187 563 P CA -0.191 62.388 63.100 -0.869 0.000 0.766 563 P CB 0.378 31.368 31.700 -1.184 0.000 0.820 564 A N 3.756 126.385 122.820 -0.318 0.000 1.968 564 A HA 0.007 4.327 4.320 -0.000 0.000 0.217 564 A C 0.953 178.486 177.584 -0.085 0.000 1.169 564 A CA 1.178 53.150 52.037 -0.109 0.000 0.638 564 A CB -0.492 18.487 19.000 -0.035 0.000 0.812 564 A HN 0.530 nan 8.150 nan 0.000 0.446 565 I N 0.181 120.664 120.570 -0.144 0.000 2.410 565 I HA 0.297 4.467 4.170 -0.000 0.000 0.286 565 I C 0.107 176.112 176.117 -0.188 0.000 1.009 565 I CA -0.218 61.020 61.300 -0.104 0.000 1.111 565 I CB 1.850 39.834 38.000 -0.027 0.000 1.262 565 I HN 0.179 nan 8.210 nan 0.000 0.443 566 I N 5.372 125.862 120.570 -0.134 0.000 3.939 566 I HA -0.024 4.146 4.170 -0.000 0.000 0.313 566 I C 1.862 177.929 176.117 -0.083 0.000 1.274 566 I CA -0.072 61.153 61.300 -0.125 0.000 1.301 566 I CB -0.177 37.768 38.000 -0.091 0.000 1.105 566 I HN 0.563 nan 8.210 nan 0.000 0.427 567 K N 3.106 123.464 120.400 -0.070 0.000 2.485 567 K HA -0.127 4.192 4.320 -0.000 0.000 0.221 567 K C -0.799 175.771 176.600 -0.049 0.000 0.715 567 K CA 0.974 57.229 56.287 -0.053 0.000 0.906 567 K CB -2.363 30.105 32.500 -0.052 0.000 0.426 567 K HN 0.001 nan 8.250 nan 0.000 0.971 568 P HA -0.157 nan 4.420 nan 0.000 0.212 568 P C -0.069 177.209 177.300 -0.037 0.000 1.180 568 P CA 1.441 64.518 63.100 -0.039 0.000 0.906 568 P CB 0.072 31.748 31.700 -0.040 0.000 0.782 569 K N 1.152 121.523 120.400 -0.048 0.000 2.235 569 K HA 0.320 4.640 4.320 -0.000 0.000 0.266 569 K C -2.423 174.134 176.600 -0.072 0.000 0.980 569 K CA -2.669 53.596 56.287 -0.036 0.000 0.849 569 K CB 1.492 33.978 32.500 -0.022 0.000 1.098 569 K HN -0.023 nan 8.250 nan 0.000 0.445 570 P HA 0.085 nan 4.420 nan 0.000 0.270 570 P C -1.160 175.951 177.300 -0.314 0.000 1.242 570 P CA -0.295 62.664 63.100 -0.236 0.000 0.768 570 P CB 0.714 32.305 31.700 -0.182 0.000 0.820 571 L N 4.411 125.391 121.223 -0.404 0.000 2.333 571 L HA 0.610 4.950 4.340 -0.000 0.000 0.263 571 L C -0.287 176.394 176.870 -0.315 0.000 1.014 571 L CA -0.472 54.283 54.840 -0.140 0.000 0.820 571 L CB 1.696 43.841 42.059 0.144 0.000 1.352 571 L HN 0.420 nan 8.230 nan 0.000 0.421 572 W N 0.517 121.924 121.300 0.177 0.000 2.844 572 W HA 0.584 5.244 4.660 -0.000 0.000 0.340 572 W C -0.226 176.287 176.519 -0.011 0.000 1.093 572 W CA -0.716 56.675 57.345 0.077 0.000 1.212 572 W CB 2.298 31.781 29.460 0.038 0.000 1.422 572 W HN 0.540 nan 8.180 nan 0.000 0.515 573 S N 0.082 115.797 115.700 0.025 0.000 2.693 573 S HA 0.544 5.014 4.470 -0.000 0.000 0.276 573 S C 0.958 175.458 174.600 -0.166 0.000 1.192 573 S CA -0.062 57.965 58.200 -0.288 0.000 0.994 573 S CB 1.690 64.638 63.200 -0.421 0.000 1.012 573 S HN 0.608 nan 8.310 nan 0.000 0.550 574 G N 1.255 109.899 108.800 -0.260 0.000 2.552 574 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.216 574 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.216 574 G C 1.183 175.947 174.900 -0.226 0.000 1.240 574 G CA 0.814 45.738 45.100 -0.293 0.000 0.796 574 G HN 0.795 nan 8.290 nan 0.000 0.568 575 K N 0.136 120.414 120.400 -0.205 0.000 2.127 575 K HA -0.295 4.025 4.320 -0.000 0.000 0.212 575 K C 2.532 179.071 176.600 -0.101 0.000 1.050 575 K CA 1.751 57.948 56.287 -0.149 0.000 0.929 575 K CB -0.382 32.044 32.500 -0.125 0.000 0.715 575 K HN 0.402 nan 8.250 nan 0.000 0.457 576 Q N 0.434 120.189 119.800 -0.074 0.000 2.045 576 Q HA -0.204 4.136 4.340 -0.000 0.000 0.206 576 Q C 2.398 178.400 176.000 0.004 0.000 0.991 576 Q CA 2.195 58.000 55.803 0.002 0.000 0.851 576 Q CB -0.203 28.585 28.738 0.082 0.000 0.911 576 Q HN 0.603 nan 8.270 nan 0.000 0.418 577 I N -2.150 118.399 120.570 -0.036 0.000 2.585 577 I HA -0.096 4.074 4.170 -0.000 0.000 0.254 577 I C 2.159 178.222 176.117 -0.090 0.000 1.129 577 I CA 0.495 61.756 61.300 -0.066 0.000 1.455 577 I CB -0.335 37.597 38.000 -0.113 0.000 1.111 577 I HN 0.106 nan 8.210 nan 0.000 0.433 578 L N 1.537 122.680 121.223 -0.132 0.000 2.197 578 L HA -0.199 4.141 4.340 -0.000 0.000 0.215 578 L C 2.236 179.056 176.870 -0.083 0.000 1.095 578 L CA 2.050 56.811 54.840 -0.131 0.000 0.764 578 L CB -0.965 40.991 42.059 -0.172 0.000 0.897 578 L HN 0.334 nan 8.230 nan 0.000 0.436 579 S N -1.127 114.534 115.700 -0.065 0.000 2.423 579 S HA -0.088 4.382 4.470 -0.000 0.000 0.231 579 S C 1.850 176.448 174.600 -0.004 0.000 1.014 579 S CA 1.120 59.297 58.200 -0.037 0.000 0.965 579 S CB -0.404 62.780 63.200 -0.027 0.000 0.785 579 S HN 0.411 nan 8.310 nan 0.000 0.495 580 V N 1.739 121.658 119.914 0.008 0.000 2.828 580 V HA -0.196 3.924 4.120 -0.000 0.000 0.260 580 V C 2.324 178.453 176.094 0.058 0.000 1.101 580 V CA 1.543 63.876 62.300 0.055 0.000 1.123 580 V CB -1.259 30.586 31.823 0.037 0.000 0.704 580 V HN 0.551 nan 8.190 nan 0.000 0.493 581 A N -0.288 122.544 122.820 0.019 0.000 1.943 581 A HA 0.239 4.559 4.320 -0.000 0.000 0.213 581 A C 1.156 178.745 177.584 0.008 0.000 1.181 581 A CA 0.161 52.209 52.037 0.019 0.000 0.653 581 A CB -0.148 18.850 19.000 -0.003 0.000 0.833 581 A HN 0.484 nan 8.150 nan 0.000 0.451 582 I N 3.183 123.747 120.570 -0.010 0.000 2.505 582 I HA 0.114 4.284 4.170 -0.000 0.000 0.287 582 I C -1.960 174.160 176.117 0.004 0.000 1.104 582 I CA -1.643 59.647 61.300 -0.017 0.000 1.387 582 I CB 0.508 38.486 38.000 -0.036 0.000 1.404 582 I HN 0.208 nan 8.210 nan 0.000 0.528 583 P HA 0.005 nan 4.420 nan 0.000 0.270 583 P C -0.861 176.451 177.300 0.020 0.000 1.223 583 P CA -0.254 62.859 63.100 0.023 0.000 0.785 583 P CB 0.495 32.210 31.700 0.025 0.000 0.923 584 N N 0.180 118.895 118.700 0.026 0.000 2.482 584 N HA 0.219 4.959 4.740 -0.000 0.000 0.260 584 N C 1.530 177.060 175.510 0.033 0.000 1.236 584 N CA 0.775 53.840 53.050 0.025 0.000 0.938 584 N CB 0.097 38.599 38.487 0.026 0.000 1.128 584 N HN 0.817 nan 8.380 nan 0.000 0.448 585 G N -0.105 108.720 108.800 0.041 0.000 2.284 585 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.230 585 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.230 585 G C 0.178 175.133 174.900 0.091 0.000 1.021 585 G CA -0.413 44.728 45.100 0.068 0.000 0.619 585 G HN 0.499 nan 8.290 nan 0.000 0.510 586 I N 2.182 122.785 120.570 0.055 0.000 2.710 586 I HA 0.267 4.437 4.170 -0.000 0.000 0.286 586 I C 0.473 176.628 176.117 0.063 0.000 1.181 586 I CA 0.456 61.787 61.300 0.052 0.000 1.430 586 I CB 0.456 38.462 38.000 0.010 0.000 1.367 586 I HN 0.250 nan 8.210 nan 0.000 0.577 587 H N 6.194 125.269 119.070 0.008 0.000 2.771 587 H HA 0.600 5.156 4.556 -0.000 0.000 0.361 587 H C -1.597 173.732 175.328 0.001 0.000 1.108 587 H CA -0.703 55.353 56.048 0.014 0.000 1.201 587 H CB 2.323 32.103 29.762 0.030 0.000 1.681 587 H HN 0.395 nan 8.280 nan 0.000 0.534 588 L N 3.446 124.724 121.223 0.093 0.000 2.588 588 L HA 0.295 4.635 4.340 -0.000 0.000 0.263 588 L C -1.398 175.509 176.870 0.062 0.000 0.935 588 L CA -0.163 54.719 54.840 0.070 0.000 0.891 588 L CB 2.059 44.109 42.059 -0.015 0.000 1.318 588 L HN 0.619 nan 8.230 nan 0.000 0.409 589 Q N 3.560 123.428 119.800 0.112 0.000 2.356 589 Q HA 0.533 4.873 4.340 -0.000 0.000 0.270 589 Q C -0.461 175.648 176.000 0.181 0.000 1.058 589 Q CA -0.574 55.332 55.803 0.171 0.000 0.802 589 Q CB 3.280 32.167 28.738 0.249 0.000 1.303 589 Q HN 0.720 nan 8.270 nan 0.000 0.444 590 R N 1.674 122.316 120.500 0.236 0.000 1.792 590 R HA 0.336 4.676 4.340 -0.000 0.000 0.139 590 R C -0.882 175.700 176.300 0.470 0.000 2.091 590 R CA 0.200 56.429 56.100 0.216 0.000 1.697 590 R CB 0.727 31.043 30.300 0.026 0.000 1.340 590 R HN 0.574 nan 8.270 nan 0.000 0.481 591 F N 1.667 121.641 119.950 0.039 0.000 2.214 591 F HA -0.188 4.339 4.527 -0.000 0.000 0.500 591 F C -0.047 175.776 175.800 0.038 0.000 1.258 591 F CA 0.190 58.228 58.000 0.064 0.000 1.604 591 F CB -1.133 37.905 39.000 0.063 0.000 2.535 591 F HN 0.408 nan 8.300 nan 0.000 0.735 592 D N 1.775 122.238 120.400 0.105 0.000 2.166 592 D HA 0.101 4.741 4.640 -0.000 0.000 0.295 592 D C 1.527 177.875 176.300 0.080 0.000 1.145 592 D CA 0.488 54.531 54.000 0.073 0.000 0.901 592 D CB 0.178 40.996 40.800 0.030 0.000 0.957 592 D HN 0.625 nan 8.370 nan 0.000 0.301 593 E N 0.288 120.516 120.200 0.048 0.000 2.081 593 E HA 0.174 4.524 4.350 -0.000 0.000 0.213 593 E C 0.911 177.540 176.600 0.049 0.000 0.921 593 E CA -0.106 56.321 56.400 0.045 0.000 0.936 593 E CB -0.452 29.262 29.700 0.025 0.000 0.981 593 E HN 0.230 nan 8.360 nan 0.000 0.502 594 G N 1.471 110.286 108.800 0.026 0.000 2.404 594 G HA2 0.188 4.148 3.960 -0.000 0.000 0.289 594 G HA3 0.188 4.148 3.960 -0.000 0.000 0.289 594 G C -0.712 174.188 174.900 -0.001 0.000 1.074 594 G CA 0.173 45.283 45.100 0.017 0.000 1.210 594 G HN 0.005 nan 8.290 nan 0.000 0.434 595 T N 0.791 115.349 114.554 0.008 0.000 2.916 595 T HA 0.652 5.002 4.350 -0.000 0.000 0.298 595 T C 0.108 174.772 174.700 -0.060 0.000 1.031 595 T CA -0.520 61.526 62.100 -0.091 0.000 0.993 595 T CB 1.965 70.719 68.868 -0.189 0.000 1.045 595 T HN 0.617 nan 8.240 nan 0.000 0.454 596 T N 0.300 114.755 114.554 -0.165 0.000 4.341 596 T HA 0.263 4.612 4.350 -0.000 0.000 0.215 596 T C 0.425 175.019 174.700 -0.176 0.000 0.947 596 T CA -0.745 61.310 62.100 -0.074 0.000 1.470 596 T CB -0.862 67.977 68.868 -0.048 0.000 0.786 596 T HN 0.443 nan 8.240 nan 0.000 0.603 597 L N 0.028 121.107 121.223 -0.239 0.000 4.274 597 L HA -0.195 4.145 4.340 -0.000 0.000 0.464 597 L C 0.905 177.456 176.870 -0.532 0.000 1.061 597 L CA 1.427 56.066 54.840 -0.334 0.000 0.979 597 L CB -1.154 40.881 42.059 -0.040 0.000 1.818 597 L HN 0.776 nan 8.230 nan 0.000 1.105 598 L N -0.911 119.986 121.223 -0.544 0.000 3.766 598 L HA 0.139 4.479 4.340 -0.000 0.000 0.370 598 L C 0.732 177.398 176.870 -0.341 0.000 1.320 598 L CA 0.232 54.822 54.840 -0.416 0.000 1.098 598 L CB 0.367 42.296 42.059 -0.218 0.000 1.405 598 L HN 0.249 nan 8.230 nan 0.000 0.608 599 S N 0.746 116.191 115.700 -0.425 0.000 3.959 599 S HA -0.048 4.422 4.470 -0.000 0.000 0.473 599 S C -1.062 173.468 174.600 -0.117 0.000 1.041 599 S CA -0.437 57.641 58.200 -0.204 0.000 1.364 599 S CB -0.337 62.816 63.200 -0.078 0.000 0.851 599 S HN 0.392 nan 8.310 nan 0.000 0.543 600 P HA -0.175 nan 4.420 nan 0.000 0.211 600 P C 0.934 178.219 177.300 -0.025 0.000 1.179 600 P CA 1.341 64.411 63.100 -0.050 0.000 0.910 600 P CB 0.030 31.707 31.700 -0.038 0.000 0.785 601 K N -0.610 119.781 120.400 -0.016 0.000 2.585 601 K HA -0.105 4.215 4.320 -0.000 0.000 0.194 601 K C 0.078 176.681 176.600 0.006 0.000 1.037 601 K CA 0.581 56.866 56.287 -0.003 0.000 0.964 601 K CB -0.893 31.605 32.500 -0.002 0.000 0.787 601 K HN 0.102 nan 8.250 nan 0.000 0.488 602 D N 0.770 121.176 120.400 0.011 0.000 2.956 602 D HA -0.149 4.491 4.640 -0.000 0.000 0.240 602 D C -0.469 175.859 176.300 0.047 0.000 1.141 602 D CA 0.410 54.440 54.000 0.049 0.000 0.820 602 D CB -0.879 39.940 40.800 0.031 0.000 0.988 602 D HN 0.224 nan 8.370 nan 0.000 0.417 603 N N 0.068 118.801 118.700 0.053 0.000 2.849 603 N HA 0.630 5.370 4.740 -0.000 0.000 0.307 603 N C 1.603 177.118 175.510 0.009 0.000 1.370 603 N CA 0.068 53.129 53.050 0.019 0.000 0.790 603 N CB -0.802 37.687 38.487 0.003 0.000 1.117 603 N HN 0.433 nan 8.380 nan 0.000 0.495 604 G N 0.931 109.712 108.800 -0.032 0.000 2.582 604 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.369 604 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.369 604 G C -0.119 174.663 174.900 -0.197 0.000 1.370 604 G CA 1.456 46.496 45.100 -0.099 0.000 0.955 604 G HN 0.703 nan 8.290 nan 0.000 0.525 605 M N -2.236 117.113 119.600 -0.418 0.000 2.462 605 M HA 0.580 5.060 4.480 -0.000 0.000 0.275 605 M C -2.325 173.582 176.300 -0.656 0.000 0.978 605 M CA -0.539 54.437 55.300 -0.539 0.000 0.852 605 M CB 1.351 33.800 32.600 -0.252 0.000 1.925 605 M HN 1.688 nan 8.290 nan 0.000 0.545 606 L N 6.310 127.016 121.223 -0.862 0.000 2.541 606 L HA 0.792 5.131 4.340 -0.000 0.000 0.266 606 L C -2.124 174.551 176.870 -0.325 0.000 0.966 606 L CA -0.135 54.386 54.840 -0.531 0.000 0.871 606 L CB 1.541 43.277 42.059 -0.538 0.000 1.232 606 L HN 0.795 nan 8.230 nan 0.000 0.408 607 I N 5.458 125.899 120.570 -0.214 0.000 2.562 607 I HA 0.568 4.738 4.170 -0.000 0.000 0.301 607 I C -0.553 175.407 176.117 -0.262 0.000 1.003 607 I CA -0.723 60.467 61.300 -0.183 0.000 1.127 607 I CB 2.056 39.970 38.000 -0.144 0.000 1.304 607 I HN 0.486 nan 8.210 nan 0.000 0.446 608 I N 3.578 124.004 120.570 -0.241 0.000 2.656 608 I HA 0.169 4.339 4.170 -0.000 0.000 0.292 608 I C -0.246 175.765 176.117 -0.177 0.000 1.144 608 I CA -0.354 60.726 61.300 -0.365 0.000 1.038 608 I CB 1.979 39.835 38.000 -0.240 0.000 1.244 608 I HN 0.666 nan 8.210 nan 0.000 0.420 609 D N 4.313 124.628 120.400 -0.141 0.000 2.931 609 D HA -0.221 4.419 4.640 -0.000 0.000 0.228 609 D C 0.970 177.259 176.300 -0.018 0.000 1.180 609 D CA 2.006 55.997 54.000 -0.016 0.000 0.784 609 D CB -0.553 40.260 40.800 0.022 0.000 1.093 609 D HN 1.170 nan 8.370 nan 0.000 0.421 610 G N -1.684 107.085 108.800 -0.051 0.000 2.141 610 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.231 610 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.231 610 G C -0.208 174.671 174.900 -0.035 0.000 0.984 610 G CA 0.292 45.372 45.100 -0.033 0.000 0.660 610 G HN 0.458 nan 8.290 nan 0.000 0.525 611 Q N -0.100 119.671 119.800 -0.048 0.000 2.333 611 Q HA 0.532 4.872 4.340 -0.000 0.000 0.267 611 Q C 0.455 176.419 176.000 -0.060 0.000 1.012 611 Q CA -0.828 54.954 55.803 -0.036 0.000 0.824 611 Q CB 1.876 30.609 28.738 -0.008 0.000 1.290 611 Q HN 0.436 nan 8.270 nan 0.000 0.449 612 I N 3.673 124.204 120.570 -0.066 0.000 2.671 612 I HA -0.097 4.073 4.170 -0.000 0.000 0.285 612 I C 1.352 177.436 176.117 -0.055 0.000 1.148 612 I CA 0.388 61.633 61.300 -0.090 0.000 1.386 612 I CB 0.290 38.230 38.000 -0.100 0.000 1.406 612 I HN 0.599 nan 8.210 nan 0.000 0.540 613 I N 7.322 127.860 120.570 -0.055 0.000 2.703 613 I HA 0.036 4.205 4.170 -0.000 0.000 0.259 613 I C 0.134 176.373 176.117 0.203 0.000 1.151 613 I CA 0.581 61.922 61.300 0.069 0.000 1.470 613 I CB 0.125 38.211 38.000 0.142 0.000 1.112 613 I HN 0.574 nan 8.210 nan 0.000 0.437 614 F N -0.607 119.303 119.950 -0.068 0.000 2.804 614 F HA 0.584 5.110 4.527 -0.000 0.000 0.320 614 F C -0.699 175.047 175.800 -0.089 0.000 1.135 614 F CA -0.753 57.199 58.000 -0.079 0.000 0.947 614 F CB 0.121 39.074 39.000 -0.079 0.000 1.260 614 F HN -0.048 nan 8.300 nan 0.000 0.447 615 G N 1.514 110.356 108.800 0.071 0.000 3.067 615 G HA2 0.311 4.271 3.960 -0.000 0.000 0.686 615 G HA3 0.311 4.271 3.960 -0.000 0.000 0.686 615 G C -1.268 173.578 174.900 -0.090 0.000 1.119 615 G CA -0.665 44.407 45.100 -0.047 0.000 0.790 615 G HN 1.451 nan 8.290 nan 0.000 0.605 616 V N 1.919 121.797 119.914 -0.060 0.000 2.763 616 V HA 0.293 4.413 4.120 -0.000 0.000 0.306 616 V C 1.268 177.307 176.094 -0.092 0.000 1.059 616 V CA -0.271 61.984 62.300 -0.075 0.000 1.138 616 V CB 1.486 33.276 31.823 -0.053 0.000 0.940 616 V HN 0.874 nan 8.190 nan 0.000 0.489 617 V N 5.421 125.271 119.914 -0.106 0.000 2.364 617 V HA 0.539 4.659 4.120 -0.000 0.000 0.272 617 V C -0.022 176.018 176.094 -0.090 0.000 1.036 617 V CA -0.185 62.052 62.300 -0.106 0.000 0.880 617 V CB 0.816 32.565 31.823 -0.124 0.000 0.991 617 V HN 1.175 nan 8.190 nan 0.000 0.460 618 E N 2.750 122.908 120.200 -0.071 0.000 2.456 618 E HA 0.435 4.785 4.350 -0.000 0.000 0.278 618 E C 0.606 177.182 176.600 -0.040 0.000 1.034 618 E CA -0.980 55.387 56.400 -0.054 0.000 0.846 618 E CB 0.828 30.502 29.700 -0.043 0.000 1.460 618 E HN 0.108 nan 8.360 nan 0.000 0.463 619 K N 0.476 120.861 120.400 -0.026 0.000 2.091 619 K HA -0.416 3.904 4.320 -0.000 0.000 0.225 619 K C 1.403 177.995 176.600 -0.012 0.000 1.028 619 K CA 2.976 59.255 56.287 -0.013 0.000 0.965 619 K CB -0.329 32.171 32.500 -0.001 0.000 0.786 619 K HN 0.515 nan 8.250 nan 0.000 0.459 620 K N -0.991 119.402 120.400 -0.011 0.000 2.218 620 K HA -0.132 4.188 4.320 -0.000 0.000 0.205 620 K C 1.946 178.538 176.600 -0.014 0.000 1.046 620 K CA 1.934 58.217 56.287 -0.006 0.000 0.933 620 K CB -0.057 32.440 32.500 -0.006 0.000 0.728 620 K HN 0.326 nan 8.250 nan 0.000 0.454 621 T N -0.717 113.818 114.554 -0.033 0.000 3.034 621 T HA 0.040 4.390 4.350 -0.000 0.000 0.248 621 T C 1.231 175.898 174.700 -0.056 0.000 1.040 621 T CA 0.384 62.455 62.100 -0.048 0.000 1.107 621 T CB 0.632 69.456 68.868 -0.073 0.000 0.932 621 T HN 0.003 nan 8.240 nan 0.000 0.474 622 V N 1.403 121.281 119.914 -0.059 0.000 3.111 622 V HA 0.566 4.686 4.120 -0.000 0.000 0.343 622 V C 0.618 176.674 176.094 -0.063 0.000 1.417 622 V CA -0.133 62.118 62.300 -0.083 0.000 1.142 622 V CB -0.026 31.733 31.823 -0.105 0.000 1.114 622 V HN 0.433 nan 8.190 nan 0.000 0.520 623 G N 0.318 109.102 108.800 -0.027 0.000 2.606 623 G HA2 0.361 4.321 3.960 -0.000 0.000 0.262 623 G HA3 0.361 4.321 3.960 -0.000 0.000 0.262 623 G C 0.639 175.548 174.900 0.015 0.000 1.394 623 G CA 0.387 45.488 45.100 0.002 0.000 1.044 623 G HN 0.625 nan 8.290 nan 0.000 0.553 624 S N -0.370 115.348 115.700 0.031 0.000 2.768 624 S HA 0.261 4.731 4.470 -0.000 0.000 0.246 624 S C 0.998 175.601 174.600 0.004 0.000 1.006 624 S CA 0.120 58.336 58.200 0.026 0.000 1.075 624 S CB -0.861 62.356 63.200 0.028 0.000 0.786 624 S HN 0.857 nan 8.310 nan 0.000 0.468 625 S N 1.139 116.847 115.700 0.013 0.000 2.596 625 S HA 0.222 4.692 4.470 -0.000 0.000 0.260 625 S C 1.075 175.691 174.600 0.028 0.000 1.336 625 S CA -0.604 57.609 58.200 0.022 0.000 0.993 625 S CB 0.367 63.584 63.200 0.028 0.000 0.923 625 S HN 0.377 nan 8.310 nan 0.000 0.567 626 N N 1.397 120.131 118.700 0.057 0.000 2.046 626 N HA -0.057 4.683 4.740 -0.000 0.000 0.190 626 N C 1.502 177.171 175.510 0.265 0.000 1.085 626 N CA 1.619 54.736 53.050 0.111 0.000 0.876 626 N CB -1.148 37.410 38.487 0.118 0.000 1.052 626 N HN 0.871 nan 8.380 nan 0.000 0.432 627 G N 0.523 109.438 108.800 0.191 0.000 3.375 627 G HA2 0.299 4.259 3.960 -0.000 0.000 0.247 627 G HA3 0.299 4.259 3.960 -0.000 0.000 0.247 627 G C 0.506 175.467 174.900 0.102 0.000 1.343 627 G CA 0.049 45.239 45.100 0.151 0.000 1.368 627 G HN 0.449 nan 8.290 nan 0.000 0.549 628 G N -0.820 108.057 108.800 0.130 0.000 2.616 628 G HA2 0.293 4.253 3.960 -0.000 0.000 0.268 628 G HA3 0.293 4.253 3.960 -0.000 0.000 0.268 628 G C 1.092 176.021 174.900 0.048 0.000 1.213 628 G CA -0.731 44.409 45.100 0.066 0.000 0.926 628 G HN 0.211 nan 8.290 nan 0.000 0.523 629 L N -0.216 121.003 121.223 -0.005 0.000 1.989 629 L HA -0.119 4.221 4.340 -0.000 0.000 0.211 629 L C 2.876 179.733 176.870 -0.022 0.000 1.071 629 L CA 1.355 56.176 54.840 -0.032 0.000 0.749 629 L CB -0.302 41.710 42.059 -0.078 0.000 0.890 629 L HN 0.576 nan 8.230 nan 0.000 0.431 630 I N -1.057 119.489 120.570 -0.040 0.000 2.099 630 I HA -0.397 3.773 4.170 -0.000 0.000 0.239 630 I C 2.577 178.753 176.117 0.098 0.000 1.066 630 I CA 1.489 62.776 61.300 -0.021 0.000 1.324 630 I CB -0.659 37.315 38.000 -0.043 0.000 1.037 630 I HN 0.406 nan 8.210 nan 0.000 0.401 631 H N 0.831 119.899 119.070 -0.003 0.000 2.362 631 H HA -0.177 4.379 4.556 -0.000 0.000 0.294 631 H C 2.021 177.353 175.328 0.006 0.000 1.113 631 H CA 2.076 58.128 56.048 0.007 0.000 1.253 631 H CB -0.402 29.366 29.762 0.010 0.000 1.363 631 H HN 0.113 nan 8.280 nan 0.000 0.494 632 V N -0.705 119.238 119.914 0.047 0.000 2.249 632 V HA -0.197 3.923 4.120 -0.000 0.000 0.239 632 V C 2.802 178.900 176.094 0.006 0.000 1.038 632 V CA 1.347 63.626 62.300 -0.035 0.000 1.005 632 V CB -0.898 30.914 31.823 -0.019 0.000 0.646 632 V HN 0.263 nan 8.190 nan 0.000 0.455 633 V N 0.266 120.191 119.914 0.018 0.000 2.226 633 V HA -0.409 3.711 4.120 -0.000 0.000 0.254 633 V C 2.558 178.676 176.094 0.041 0.000 1.065 633 V CA 2.969 65.283 62.300 0.023 0.000 1.039 633 V CB -1.458 30.369 31.823 0.007 0.000 0.653 633 V HN 0.663 nan 8.190 nan 0.000 0.450 634 T N -0.376 114.217 114.554 0.065 0.000 2.592 634 T HA -0.290 4.060 4.350 -0.000 0.000 0.267 634 T C 2.088 176.819 174.700 0.052 0.000 1.060 634 T CA 1.952 64.097 62.100 0.075 0.000 1.167 634 T CB -0.345 68.585 68.868 0.103 0.000 0.863 634 T HN 0.275 nan 8.240 nan 0.000 0.431 635 R N 0.519 121.048 120.500 0.047 0.000 2.073 635 R HA -0.020 4.320 4.340 -0.000 0.000 0.234 635 R C 2.429 178.742 176.300 0.021 0.000 1.134 635 R CA 1.428 57.541 56.100 0.022 0.000 0.952 635 R CB -0.603 29.684 30.300 -0.021 0.000 0.850 635 R HN 0.451 nan 8.270 nan 0.000 0.433 636 E N 0.693 120.902 120.200 0.016 0.000 1.997 636 E HA -0.114 4.235 4.350 -0.000 0.000 0.196 636 E C 1.872 178.493 176.600 0.035 0.000 0.990 636 E CA 1.334 57.748 56.400 0.024 0.000 0.845 636 E CB 0.017 29.733 29.700 0.027 0.000 0.795 636 E HN -0.098 nan 8.360 nan 0.000 0.479 637 K N -0.453 119.969 120.400 0.037 0.000 2.026 637 K HA 0.085 4.405 4.320 -0.000 0.000 0.208 637 K C 0.841 177.464 176.600 0.039 0.000 1.048 637 K CA 1.292 57.602 56.287 0.039 0.000 0.929 637 K CB -0.398 32.125 32.500 0.038 0.000 0.713 637 K HN 0.348 nan 8.250 nan 0.000 0.439 638 G N -0.967 107.858 108.800 0.042 0.000 2.352 638 G HA2 0.031 3.991 3.960 -0.000 0.000 0.302 638 G HA3 0.031 3.991 3.960 -0.000 0.000 0.302 638 G C -2.634 172.294 174.900 0.045 0.000 1.370 638 G CA -0.360 44.764 45.100 0.040 0.000 0.918 638 G HN -0.185 nan 8.290 nan 0.000 0.610 639 P HA -0.038 nan 4.420 nan 0.000 0.217 639 P C 1.275 178.601 177.300 0.042 0.000 1.154 639 P CA 1.072 64.192 63.100 0.034 0.000 0.841 639 P CB 0.299 32.005 31.700 0.010 0.000 0.790 640 Q N 0.081 119.901 119.800 0.033 0.000 2.020 640 Q HA -0.068 4.272 4.340 -0.000 0.000 0.202 640 Q C 2.422 178.454 176.000 0.053 0.000 0.982 640 Q CA 1.272 57.096 55.803 0.034 0.000 0.838 640 Q CB -1.185 27.567 28.738 0.023 0.000 0.899 640 Q HN 0.120 nan 8.270 nan 0.000 0.423 641 V N 0.514 120.459 119.914 0.051 0.000 2.332 641 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 641 V C 2.546 178.688 176.094 0.079 0.000 1.055 641 V CA 1.823 64.157 62.300 0.056 0.000 1.038 641 V CB -0.846 31.004 31.823 0.046 0.000 0.651 641 V HN 0.492 nan 8.190 nan 0.000 0.450 642 C N 0.281 119.640 119.300 0.098 0.000 2.457 642 C HA 0.042 4.501 4.460 -0.000 0.000 0.278 642 C C 3.086 178.240 174.990 0.273 0.000 1.309 642 C CA 0.543 59.648 59.018 0.146 0.000 1.735 642 C CB -1.206 26.630 27.740 0.159 0.000 1.992 642 C HN 0.574 nan 8.230 nan 0.000 0.493 643 A N 0.399 123.349 122.820 0.217 0.000 1.883 643 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 643 A C 2.302 180.035 177.584 0.249 0.000 1.186 643 A CA 2.142 54.308 52.037 0.215 0.000 0.624 643 A CB -0.847 18.195 19.000 0.069 0.000 0.822 643 A HN 0.734 nan 8.150 nan 0.000 0.444 644 K N -0.964 119.528 120.400 0.154 0.000 2.211 644 K HA -0.147 4.173 4.320 -0.000 0.000 0.204 644 K C 1.834 178.518 176.600 0.140 0.000 1.047 644 K CA 1.275 57.635 56.287 0.122 0.000 0.935 644 K CB -0.271 32.275 32.500 0.076 0.000 0.728 644 K HN 0.395 nan 8.250 nan 0.000 0.452 645 L N 0.488 121.797 121.223 0.142 0.000 2.046 645 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 645 L C 1.605 178.503 176.870 0.047 0.000 1.077 645 L CA 1.690 56.562 54.840 0.053 0.000 0.747 645 L CB -0.632 41.403 42.059 -0.040 0.000 0.896 645 L HN 0.066 nan 8.230 nan 0.000 0.432 646 F N 0.343 120.311 119.950 0.031 0.000 2.043 646 F HA -0.140 4.387 4.527 -0.000 0.000 0.297 646 F C 2.561 178.388 175.800 0.045 0.000 1.121 646 F CA 1.879 59.901 58.000 0.036 0.000 1.199 646 F CB -1.564 37.461 39.000 0.042 0.000 0.968 646 F HN 0.210 nan 8.300 nan 0.000 0.478 647 G N 0.340 109.305 108.800 0.275 0.000 2.719 647 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.219 647 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.219 647 G C 1.621 176.603 174.900 0.136 0.000 1.234 647 G CA 1.566 46.767 45.100 0.168 0.000 0.788 647 G HN 0.290 nan 8.290 nan 0.000 0.619 648 N N 0.949 119.713 118.700 0.106 0.000 2.002 648 N HA -0.144 4.596 4.740 -0.000 0.000 0.199 648 N C 2.299 177.856 175.510 0.079 0.000 1.067 648 N CA 1.488 54.592 53.050 0.090 0.000 0.870 648 N CB -0.887 37.639 38.487 0.064 0.000 1.073 648 N HN 0.416 nan 8.380 nan 0.000 0.432 649 I N 1.837 122.427 120.570 0.033 0.000 2.181 649 I HA -0.443 3.727 4.170 -0.000 0.000 0.240 649 I C 2.526 178.663 176.117 0.034 0.000 1.006 649 I CA 1.738 63.038 61.300 -0.001 0.000 1.284 649 I CB -0.581 37.387 38.000 -0.055 0.000 0.990 649 I HN 0.317 nan 8.210 nan 0.000 0.408 650 Q N 0.641 120.487 119.800 0.076 0.000 1.985 650 Q HA -0.288 4.052 4.340 -0.000 0.000 0.207 650 Q C 2.241 178.314 176.000 0.122 0.000 0.996 650 Q CA 2.024 57.889 55.803 0.104 0.000 0.851 650 Q CB -0.376 28.449 28.738 0.146 0.000 0.921 650 Q HN 0.543 nan 8.270 nan 0.000 0.418 651 K N 0.235 120.745 120.400 0.184 0.000 2.059 651 K HA -0.190 4.130 4.320 -0.000 0.000 0.212 651 K C 2.189 178.874 176.600 0.143 0.000 1.050 651 K CA 1.828 58.298 56.287 0.306 0.000 0.927 651 K CB -0.382 32.402 32.500 0.474 0.000 0.714 651 K HN 0.033 nan 8.250 nan 0.000 0.447 652 V N 0.988 120.965 119.914 0.104 0.000 2.216 652 V HA -0.255 3.865 4.120 -0.000 0.000 0.242 652 V C 2.322 178.436 176.094 0.033 0.000 1.042 652 V CA 1.726 64.050 62.300 0.039 0.000 0.991 652 V CB -0.627 31.198 31.823 0.003 0.000 0.633 652 V HN 0.083 nan 8.190 nan 0.000 0.449 653 V N 0.942 120.860 119.914 0.006 0.000 2.218 653 V HA -0.385 3.735 4.120 -0.000 0.000 0.251 653 V C 2.393 178.541 176.094 0.091 0.000 1.057 653 V CA 2.611 64.924 62.300 0.022 0.000 1.022 653 V CB -1.135 30.680 31.823 -0.014 0.000 0.645 653 V HN 0.606 nan 8.190 nan 0.000 0.451 654 N N -0.275 118.456 118.700 0.052 0.000 2.064 654 N HA -0.274 4.466 4.740 -0.000 0.000 0.200 654 N C 1.712 177.184 175.510 -0.064 0.000 1.028 654 N CA 2.375 55.442 53.050 0.027 0.000 0.880 654 N CB -0.742 37.779 38.487 0.056 0.000 1.062 654 N HN 0.577 nan 8.380 nan 0.000 0.454 655 F N 0.114 119.852 119.950 -0.353 0.000 2.202 655 F HA -0.157 4.370 4.527 -0.000 0.000 0.301 655 F C 2.324 177.819 175.800 -0.507 0.000 1.082 655 F CA 1.272 58.892 58.000 -0.633 0.000 1.313 655 F CB -0.481 37.774 39.000 -1.241 0.000 1.024 655 F HN 0.220 nan 8.300 nan 0.000 0.495 656 W N 0.557 121.490 121.300 -0.611 0.000 2.444 656 W HA -0.089 4.571 4.660 -0.000 0.000 0.308 656 W C 2.017 178.279 176.519 -0.429 0.000 1.183 656 W CA 1.278 58.268 57.345 -0.592 0.000 1.340 656 W CB -0.589 28.689 29.460 -0.303 0.000 1.138 656 W HN 0.064 nan 8.180 nan 0.000 0.510 657 L N 1.420 122.670 121.223 0.045 0.000 2.265 657 L HA -0.093 4.247 4.340 -0.000 0.000 0.215 657 L C 2.068 178.772 176.870 -0.278 0.000 1.117 657 L CA 1.840 56.594 54.840 -0.143 0.000 0.782 657 L CB -1.369 40.776 42.059 0.142 0.000 0.914 657 L HN 0.265 nan 8.230 nan 0.000 0.441 658 L N -0.775 120.264 121.223 -0.308 0.000 2.046 658 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 658 L C 2.275 179.091 176.870 -0.091 0.000 1.077 658 L CA 1.903 56.630 54.840 -0.187 0.000 0.747 658 L CB -0.859 41.093 42.059 -0.180 0.000 0.896 658 L HN 0.397 nan 8.230 nan 0.000 0.432 659 H N -1.650 117.141 119.070 -0.465 0.000 2.465 659 H HA 0.103 4.659 4.556 -0.000 0.000 0.289 659 H C 1.949 177.014 175.328 -0.439 0.000 1.022 659 H CA 1.015 56.812 56.048 -0.419 0.000 1.340 659 H CB -0.574 28.905 29.762 -0.471 0.000 1.437 659 H HN 0.408 nan 8.280 nan 0.000 0.539 660 N N 0.860 119.224 118.700 -0.559 0.000 2.520 660 N HA -0.038 4.702 4.740 -0.000 0.000 0.185 660 N C 0.537 175.881 175.510 -0.278 0.000 1.068 660 N CA 0.757 53.453 53.050 -0.590 0.000 0.911 660 N CB 0.172 37.916 38.487 -1.238 0.000 0.961 660 N HN 0.464 nan 8.380 nan 0.000 0.446 661 G N -0.607 108.083 108.800 -0.183 0.000 2.992 661 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.340 661 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.340 661 G C -0.657 174.308 174.900 0.108 0.000 1.539 661 G CA 0.180 45.256 45.100 -0.040 0.000 0.997 661 G HN 0.377 nan 8.290 nan 0.000 0.561 662 F N 0.138 120.052 119.950 -0.059 0.000 2.725 662 F HA 0.669 5.196 4.527 -0.000 0.000 0.309 662 F C -0.074 175.717 175.800 -0.014 0.000 1.132 662 F CA 0.504 58.488 58.000 -0.026 0.000 0.957 662 F CB 1.407 40.404 39.000 -0.005 0.000 1.286 662 F HN 1.630 nan 8.300 nan 0.000 0.440 663 S N 1.748 116.824 115.700 -1.041 0.000 2.714 663 S HA 0.862 5.332 4.470 -0.000 0.000 0.280 663 S C -1.759 172.420 174.600 -0.703 0.000 1.200 663 S CA 0.017 57.837 58.200 -0.634 0.000 0.900 663 S CB 1.517 64.540 63.200 -0.294 0.000 1.235 663 S HN 0.985 nan 8.310 nan 0.000 0.512 664 T N -0.026 114.326 114.554 -0.337 0.000 2.886 664 T HA 0.733 5.083 4.350 -0.000 0.000 0.330 664 T C -0.677 173.948 174.700 -0.125 0.000 1.488 664 T CA -0.041 61.926 62.100 -0.222 0.000 1.054 664 T CB 1.373 70.149 68.868 -0.154 0.000 1.348 664 T HN 1.527 nan 8.240 nan 0.000 0.489 665 G N 0.715 109.463 108.800 -0.086 0.000 2.616 665 G HA2 0.478 4.438 3.960 -0.000 0.000 0.294 665 G HA3 0.478 4.438 3.960 -0.000 0.000 0.294 665 G C 0.604 175.483 174.900 -0.035 0.000 1.489 665 G CA -0.423 44.644 45.100 -0.056 0.000 0.836 665 G HN 0.771 nan 8.290 nan 0.000 0.527 666 I N 0.257 120.813 120.570 -0.023 0.000 2.247 666 I HA -0.276 3.894 4.170 -0.000 0.000 0.249 666 I C 2.537 178.649 176.117 -0.008 0.000 1.027 666 I CA 2.443 63.736 61.300 -0.011 0.000 1.316 666 I CB -1.382 36.613 38.000 -0.009 0.000 1.007 666 I HN 0.717 nan 8.210 nan 0.000 0.430 667 G N 0.231 109.022 108.800 -0.015 0.000 2.475 667 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.220 667 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.220 667 G C 1.304 176.201 174.900 -0.005 0.000 1.125 667 G CA 1.173 46.266 45.100 -0.011 0.000 0.755 667 G HN 0.556 nan 8.290 nan 0.000 0.565 668 D N -0.041 120.353 120.400 -0.010 0.000 2.363 668 D HA -0.043 4.597 4.640 -0.000 0.000 0.220 668 D C 2.379 178.688 176.300 0.016 0.000 0.994 668 D CA 1.362 55.363 54.000 0.002 0.000 0.890 668 D CB 0.070 40.865 40.800 -0.008 0.000 0.906 668 D HN 0.519 nan 8.370 nan 0.000 0.530 669 T N -1.711 112.852 114.554 0.014 0.000 3.069 669 T HA 0.229 4.579 4.350 -0.000 0.000 0.252 669 T C 0.927 175.642 174.700 0.025 0.000 1.053 669 T CA -0.266 61.849 62.100 0.025 0.000 0.964 669 T CB 0.012 68.896 68.868 0.026 0.000 1.005 669 T HN -0.023 nan 8.240 nan 0.000 0.532 670 I N 1.325 121.907 120.570 0.020 0.000 2.441 670 I HA 0.759 4.928 4.170 -0.000 0.000 0.295 670 I C 0.032 176.162 176.117 0.022 0.000 0.994 670 I CA -1.610 59.701 61.300 0.019 0.000 1.144 670 I CB 1.756 39.764 38.000 0.013 0.000 1.314 670 I HN 0.060 nan 8.210 nan 0.000 0.445 671 A N 3.170 126.003 122.820 0.023 0.000 2.340 671 A HA 0.404 4.724 4.320 -0.000 0.000 0.331 671 A C -0.561 177.036 177.584 0.022 0.000 1.140 671 A CA -0.579 51.474 52.037 0.026 0.000 0.801 671 A CB 0.891 19.910 19.000 0.032 0.000 1.234 671 A HN 0.800 nan 8.150 nan 0.000 0.469 672 D N 1.617 122.031 120.400 0.023 0.000 3.264 672 D HA 0.091 4.731 4.640 -0.000 0.000 0.213 672 D C 1.714 178.025 176.300 0.018 0.000 1.112 672 D CA 1.792 55.804 54.000 0.020 0.000 0.777 672 D CB 0.362 41.175 40.800 0.021 0.000 1.156 672 D HN 0.710 nan 8.370 nan 0.000 0.556 673 G N 5.443 114.252 108.800 0.015 0.000 2.830 673 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.230 673 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.230 673 G C -0.535 174.374 174.900 0.015 0.000 1.172 673 G CA 1.121 46.230 45.100 0.013 0.000 0.764 673 G HN 0.616 nan 8.290 nan 0.000 0.640 674 P HA -0.040 nan 4.420 nan 0.000 0.216 674 P C 1.743 179.054 177.300 0.019 0.000 1.153 674 P CA 1.939 65.049 63.100 0.016 0.000 0.844 674 P CB -0.470 31.238 31.700 0.015 0.000 0.787 675 T N -0.162 114.405 114.554 0.021 0.000 2.848 675 T HA -0.132 4.218 4.350 -0.000 0.000 0.269 675 T C 1.849 176.565 174.700 0.026 0.000 1.081 675 T CA 1.176 63.291 62.100 0.026 0.000 1.125 675 T CB -0.407 68.478 68.868 0.029 0.000 0.848 675 T HN 0.019 nan 8.240 nan 0.000 0.503 676 M N 0.450 120.063 119.600 0.022 0.000 2.102 676 M HA 0.081 4.561 4.480 -0.000 0.000 0.259 676 M C 2.454 178.767 176.300 0.021 0.000 1.083 676 M CA 1.299 56.611 55.300 0.021 0.000 1.141 676 M CB -1.020 31.590 32.600 0.017 0.000 1.318 676 M HN 0.131 nan 8.290 nan 0.000 0.421 677 R N 0.708 121.219 120.500 0.018 0.000 2.113 677 R HA -0.244 4.096 4.340 -0.000 0.000 0.244 677 R C 2.007 178.319 176.300 0.020 0.000 1.142 677 R CA 2.326 58.437 56.100 0.018 0.000 0.953 677 R CB -0.400 29.910 30.300 0.015 0.000 0.860 677 R HN 0.464 nan 8.270 nan 0.000 0.438 678 E N 0.042 120.255 120.200 0.021 0.000 2.219 678 E HA -0.208 4.142 4.350 -0.000 0.000 0.198 678 E C 1.844 178.460 176.600 0.027 0.000 0.998 678 E CA 1.427 57.840 56.400 0.022 0.000 0.818 678 E CB -0.047 29.667 29.700 0.023 0.000 0.741 678 E HN 0.504 nan 8.360 nan 0.000 0.477 679 I N 0.019 120.607 120.570 0.030 0.000 2.296 679 I HA -0.182 3.988 4.170 -0.000 0.000 0.242 679 I C 2.322 178.462 176.117 0.038 0.000 1.087 679 I CA 1.145 62.467 61.300 0.037 0.000 1.393 679 I CB -0.467 37.554 38.000 0.036 0.000 1.093 679 I HN 0.097 nan 8.210 nan 0.000 0.421 680 T N 1.150 115.723 114.554 0.032 0.000 2.721 680 T HA -0.252 4.098 4.350 -0.000 0.000 0.268 680 T C 1.536 176.256 174.700 0.033 0.000 1.038 680 T CA 2.018 64.138 62.100 0.034 0.000 1.145 680 T CB -0.483 68.401 68.868 0.027 0.000 0.858 680 T HN 0.615 nan 8.240 nan 0.000 0.459 681 E N 0.312 120.527 120.200 0.026 0.000 2.385 681 E HA 0.011 4.361 4.350 -0.000 0.000 0.194 681 E C 1.591 178.200 176.600 0.015 0.000 1.013 681 E CA 0.676 57.087 56.400 0.018 0.000 0.866 681 E CB -0.313 29.394 29.700 0.013 0.000 0.832 681 E HN 0.269 nan 8.360 nan 0.000 0.500 682 T N 0.951 115.520 114.554 0.025 0.000 3.088 682 T HA 0.141 4.491 4.350 -0.000 0.000 0.259 682 T C 1.653 176.371 174.700 0.030 0.000 1.122 682 T CA 0.414 62.528 62.100 0.025 0.000 1.095 682 T CB 0.000 68.891 68.868 0.037 0.000 0.930 682 T HN 0.193 nan 8.240 nan 0.000 0.508 683 I N 0.851 121.448 120.570 0.044 0.000 2.385 683 I HA 0.070 4.240 4.170 -0.000 0.000 0.244 683 I C 2.905 179.035 176.117 0.021 0.000 1.089 683 I CA 0.579 61.918 61.300 0.065 0.000 1.410 683 I CB -0.484 37.586 38.000 0.117 0.000 1.117 683 I HN 0.117 nan 8.210 nan 0.000 0.429 684 A N 1.745 124.578 122.820 0.021 0.000 1.892 684 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 684 A C 2.189 179.757 177.584 -0.026 0.000 1.188 684 A CA 2.414 54.453 52.037 0.003 0.000 0.631 684 A CB -0.949 18.056 19.000 0.008 0.000 0.822 684 A HN 0.666 nan 8.150 nan 0.000 0.447 685 E N -0.210 119.972 120.200 -0.030 0.000 2.204 685 E HA 0.025 4.375 4.350 -0.000 0.000 0.195 685 E C 1.722 178.262 176.600 -0.100 0.000 0.990 685 E CA 1.162 57.528 56.400 -0.056 0.000 0.821 685 E CB -0.352 29.321 29.700 -0.045 0.000 0.750 685 E HN 0.483 nan 8.360 nan 0.000 0.477 686 A N 0.786 123.552 122.820 -0.091 0.000 2.123 686 A HA 0.023 4.343 4.320 -0.000 0.000 0.214 686 A C 1.928 179.418 177.584 -0.156 0.000 1.152 686 A CA 0.691 52.645 52.037 -0.138 0.000 0.728 686 A CB -0.089 18.860 19.000 -0.085 0.000 0.814 686 A HN 0.120 nan 8.150 nan 0.000 0.464 687 K N -0.134 120.200 120.400 -0.110 0.000 2.044 687 K HA 0.019 4.339 4.320 -0.000 0.000 0.204 687 K C 1.890 178.444 176.600 -0.076 0.000 1.045 687 K CA 1.068 57.298 56.287 -0.094 0.000 0.951 687 K CB -0.115 32.355 32.500 -0.049 0.000 0.738 687 K HN 0.277 nan 8.250 nan 0.000 0.443 688 K N 1.260 121.618 120.400 -0.070 0.000 2.097 688 K HA -0.150 4.169 4.320 -0.000 0.000 0.206 688 K C 1.909 178.452 176.600 -0.095 0.000 1.049 688 K CA 1.124 57.375 56.287 -0.060 0.000 0.933 688 K CB 0.023 32.492 32.500 -0.051 0.000 0.717 688 K HN -0.008 nan 8.250 nan 0.000 0.442 689 K N 0.690 120.980 120.400 -0.183 0.000 2.574 689 K HA -0.074 4.246 4.320 -0.000 0.000 0.193 689 K C 1.352 177.784 176.600 -0.280 0.000 1.035 689 K CA 0.406 56.496 56.287 -0.329 0.000 0.982 689 K CB 0.333 32.482 32.500 -0.584 0.000 0.795 689 K HN -0.042 nan 8.250 nan 0.000 0.491 690 V N 0.171 120.027 119.914 -0.096 0.000 2.599 690 V HA -0.132 3.988 4.120 -0.000 0.000 0.237 690 V C 1.794 177.957 176.094 0.114 0.000 1.081 690 V CA 0.650 62.997 62.300 0.079 0.000 1.107 690 V CB -0.202 31.648 31.823 0.046 0.000 0.808 690 V HN 0.283 nan 8.190 nan 0.000 0.486 691 L N 1.153 122.410 121.223 0.058 0.000 2.034 691 L HA -0.292 4.048 4.340 -0.000 0.000 0.217 691 L C 1.900 178.809 176.870 0.066 0.000 1.077 691 L CA 2.629 57.507 54.840 0.064 0.000 0.769 691 L CB -1.060 41.015 42.059 0.026 0.000 0.890 691 L HN 0.372 nan 8.230 nan 0.000 0.435 692 D N -0.507 119.918 120.400 0.042 0.000 2.127 692 D HA -0.204 4.435 4.640 -0.000 0.000 0.190 692 D C 2.188 178.535 176.300 0.079 0.000 1.000 692 D CA 2.101 56.125 54.000 0.040 0.000 0.839 692 D CB -0.494 40.315 40.800 0.014 0.000 0.955 692 D HN 0.321 nan 8.370 nan 0.000 0.446 693 V N 0.477 120.479 119.914 0.148 0.000 2.913 693 V HA -0.160 3.960 4.120 -0.000 0.000 0.260 693 V C 2.231 178.454 176.094 0.214 0.000 1.098 693 V CA 1.614 64.044 62.300 0.216 0.000 1.121 693 V CB -0.656 31.382 31.823 0.359 0.000 0.714 693 V HN 0.238 nan 8.190 nan 0.000 0.487 694 T N -0.334 114.348 114.554 0.213 0.000 2.770 694 T HA -0.150 4.200 4.350 -0.000 0.000 0.263 694 T C 1.963 176.616 174.700 -0.079 0.000 1.039 694 T CA 1.276 63.443 62.100 0.111 0.000 1.142 694 T CB -0.119 68.858 68.868 0.182 0.000 0.868 694 T HN 0.444 nan 8.240 nan 0.000 0.435 695 K N 0.855 121.244 120.400 -0.018 0.000 2.103 695 K HA 0.004 4.324 4.320 -0.000 0.000 0.204 695 K C 2.203 178.771 176.600 -0.055 0.000 1.052 695 K CA 0.720 56.980 56.287 -0.045 0.000 0.945 695 K CB -0.062 32.428 32.500 -0.015 0.000 0.722 695 K HN 0.380 nan 8.250 nan 0.000 0.443 696 E N 0.183 120.370 120.200 -0.022 0.000 2.510 696 E HA -0.122 4.228 4.350 -0.000 0.000 0.202 696 E C 0.856 177.422 176.600 -0.056 0.000 1.072 696 E CA 0.369 56.760 56.400 -0.015 0.000 0.883 696 E CB 0.180 29.897 29.700 0.029 0.000 0.818 696 E HN 0.304 nan 8.360 nan 0.000 0.548 697 A N -0.268 122.471 122.820 -0.135 0.000 2.312 697 A HA 0.122 4.442 4.320 -0.000 0.000 0.215 697 A C 1.416 178.854 177.584 -0.244 0.000 1.256 697 A CA -0.290 51.608 52.037 -0.231 0.000 0.966 697 A CB 0.395 19.113 19.000 -0.470 0.000 1.053 697 A HN 0.172 nan 8.150 nan 0.000 0.510 698 Q N -0.305 119.371 119.800 -0.206 0.000 2.282 698 Q HA 0.348 4.688 4.340 -0.000 0.000 0.205 698 Q C 1.146 177.083 176.000 -0.106 0.000 0.915 698 Q CA 0.441 56.142 55.803 -0.169 0.000 0.949 698 Q CB 0.273 28.924 28.738 -0.145 0.000 1.035 698 Q HN 0.611 nan 8.270 nan 0.000 0.484 699 A N 0.432 123.195 122.820 -0.094 0.000 2.312 699 A HA 0.106 4.426 4.320 -0.000 0.000 0.215 699 A C 0.860 178.411 177.584 -0.056 0.000 1.256 699 A CA 0.417 52.418 52.037 -0.060 0.000 0.966 699 A CB 0.307 19.280 19.000 -0.044 0.000 1.053 699 A HN 0.418 nan 8.150 nan 0.000 0.510 700 N N -1.722 116.935 118.700 -0.072 0.000 2.979 700 N HA -0.139 4.601 4.740 -0.000 0.000 0.234 700 N C -0.046 175.442 175.510 -0.038 0.000 0.938 700 N CA 1.020 54.035 53.050 -0.058 0.000 0.961 700 N CB -2.081 36.379 38.487 -0.044 0.000 1.089 700 N HN 0.357 nan 8.380 nan 0.000 0.576 701 L N 0.387 121.589 121.223 -0.035 0.000 2.855 701 L HA 0.248 4.588 4.340 -0.000 0.000 0.245 701 L C 0.150 177.016 176.870 -0.007 0.000 1.276 701 L CA 0.318 55.148 54.840 -0.017 0.000 1.118 701 L CB -0.280 41.771 42.059 -0.013 0.000 1.444 701 L HN 0.194 nan 8.230 nan 0.000 0.440 702 L N -0.234 120.984 121.223 -0.010 0.000 2.381 702 L HA 0.357 4.697 4.340 -0.000 0.000 0.274 702 L C 0.102 176.981 176.870 0.014 0.000 0.988 702 L CA -0.398 54.447 54.840 0.008 0.000 0.824 702 L CB 2.418 44.482 42.059 0.009 0.000 1.263 702 L HN -0.018 nan 8.230 nan 0.000 0.410 703 T N 2.974 117.542 114.554 0.024 0.000 2.761 703 T HA 0.206 4.556 4.350 -0.000 0.000 0.287 703 T C 0.473 175.194 174.700 0.034 0.000 0.931 703 T CA -0.346 61.770 62.100 0.027 0.000 1.164 703 T CB 0.666 69.552 68.868 0.030 0.000 0.876 703 T HN 0.606 nan 8.240 nan 0.000 0.534 704 A N 5.267 128.107 122.820 0.032 0.000 2.444 704 A HA 0.221 4.541 4.320 -0.000 0.000 0.287 704 A C 0.632 178.248 177.584 0.053 0.000 1.195 704 A CA -0.434 51.626 52.037 0.037 0.000 0.858 704 A CB -0.140 18.878 19.000 0.030 0.000 1.117 704 A HN 0.795 nan 8.150 nan 0.000 0.521 705 K N 2.178 122.610 120.400 0.054 0.000 2.489 705 K HA 0.000 4.320 4.320 -0.000 0.000 0.278 705 K C 0.067 176.725 176.600 0.096 0.000 1.000 705 K CA -0.054 56.277 56.287 0.073 0.000 1.012 705 K CB 0.256 32.789 32.500 0.056 0.000 0.903 705 K HN 0.810 nan 8.250 nan 0.000 0.485 706 H N 0.799 119.878 119.070 0.015 0.000 3.167 706 H HA -0.024 4.532 4.556 -0.000 0.000 0.306 706 H C 1.295 176.630 175.328 0.012 0.000 0.965 706 H CA 1.966 58.021 56.048 0.012 0.000 1.408 706 H CB 0.045 29.814 29.762 0.012 0.000 1.406 706 H HN 0.823 nan 8.280 nan 0.000 0.576 707 G N 3.487 112.079 108.800 -0.347 0.000 2.175 707 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.244 707 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.244 707 G C 0.096 174.932 174.900 -0.107 0.000 0.982 707 G CA 0.252 45.201 45.100 -0.252 0.000 0.641 707 G HN 0.633 nan 8.290 nan 0.000 0.527 708 M N 1.047 120.612 119.600 -0.058 0.000 2.464 708 M HA 0.448 4.928 4.480 -0.000 0.000 0.308 708 M C 0.425 176.722 176.300 -0.006 0.000 1.127 708 M CA -0.641 54.645 55.300 -0.022 0.000 0.913 708 M CB 2.106 34.704 32.600 -0.003 0.000 1.689 708 M HN 0.044 nan 8.290 nan 0.000 0.445 709 T N 1.568 116.124 114.554 0.003 0.000 2.795 709 T HA 0.076 4.426 4.350 -0.000 0.000 0.314 709 T C 1.334 176.051 174.700 0.029 0.000 1.069 709 T CA -0.258 61.851 62.100 0.015 0.000 1.071 709 T CB 0.449 69.331 68.868 0.024 0.000 0.988 709 T HN 0.428 nan 8.240 nan 0.000 0.543 710 L N 0.970 122.209 121.223 0.026 0.000 2.131 710 L HA 0.001 4.341 4.340 -0.000 0.000 0.210 710 L C 2.609 179.517 176.870 0.062 0.000 1.092 710 L CA 1.665 56.522 54.840 0.028 0.000 0.759 710 L CB -0.716 41.342 42.059 -0.002 0.000 0.903 710 L HN 0.480 nan 8.230 nan 0.000 0.435 711 R N -0.229 120.315 120.500 0.074 0.000 2.056 711 R HA -0.080 4.260 4.340 -0.000 0.000 0.227 711 R C 2.259 178.660 176.300 0.168 0.000 1.149 711 R CA 1.147 57.335 56.100 0.147 0.000 0.937 711 R CB -0.258 30.118 30.300 0.127 0.000 0.835 711 R HN 0.338 nan 8.270 nan 0.000 0.430 712 E N -0.224 120.030 120.200 0.090 0.000 2.169 712 E HA -0.249 4.101 4.350 -0.000 0.000 0.202 712 E C 1.914 178.540 176.600 0.044 0.000 1.016 712 E CA 1.775 58.205 56.400 0.050 0.000 0.817 712 E CB -0.117 29.595 29.700 0.021 0.000 0.736 712 E HN 0.233 nan 8.360 nan 0.000 0.462 713 S N 0.141 115.880 115.700 0.066 0.000 2.428 713 S HA -0.084 4.386 4.470 -0.000 0.000 0.230 713 S C 1.411 176.071 174.600 0.100 0.000 1.014 713 S CA 0.381 58.615 58.200 0.056 0.000 0.957 713 S CB -0.194 63.039 63.200 0.055 0.000 0.784 713 S HN 0.279 nan 8.310 nan 0.000 0.499 714 F N 3.245 123.185 119.950 -0.016 0.000 2.051 714 F HA -0.110 4.417 4.527 -0.000 0.000 0.296 714 F C 2.192 177.982 175.800 -0.016 0.000 1.122 714 F CA 1.563 59.557 58.000 -0.010 0.000 1.201 714 F CB -0.814 38.189 39.000 0.005 0.000 0.978 714 F HN 0.111 nan 8.300 nan 0.000 0.472 715 E N 0.114 120.142 120.200 -0.287 0.000 2.049 715 E HA -0.297 4.053 4.350 -0.000 0.000 0.198 715 E C 2.091 178.520 176.600 -0.285 0.000 1.007 715 E CA 1.514 57.668 56.400 -0.410 0.000 0.809 715 E CB -0.969 28.610 29.700 -0.201 0.000 0.749 715 E HN 0.535 nan 8.360 nan 0.000 0.450 716 D N 1.028 121.327 120.400 -0.169 0.000 2.191 716 D HA -0.217 4.423 4.640 -0.000 0.000 0.190 716 D C 1.538 177.696 176.300 -0.237 0.000 1.007 716 D CA 1.256 55.164 54.000 -0.153 0.000 0.865 716 D CB -0.060 40.682 40.800 -0.096 0.000 0.929 716 D HN 0.125 nan 8.370 nan 0.000 0.447 717 N N -0.014 118.511 118.700 -0.291 0.000 2.135 717 N HA -0.108 4.632 4.740 -0.000 0.000 0.186 717 N C 2.226 177.367 175.510 -0.615 0.000 1.027 717 N CA 0.759 53.496 53.050 -0.523 0.000 0.849 717 N CB -0.519 37.706 38.487 -0.436 0.000 1.002 717 N HN 0.142 nan 8.380 nan 0.000 0.425 718 V N 1.908 121.578 119.914 -0.407 0.000 2.218 718 V HA -0.277 3.843 4.120 -0.000 0.000 0.251 718 V C 2.614 178.600 176.094 -0.179 0.000 1.057 718 V CA 1.814 63.949 62.300 -0.275 0.000 1.022 718 V CB -0.989 30.546 31.823 -0.481 0.000 0.645 718 V HN 0.039 nan 8.190 nan 0.000 0.451 719 V N -0.293 119.499 119.914 -0.202 0.000 2.231 719 V HA -0.338 3.782 4.120 -0.000 0.000 0.248 719 V C 2.530 178.573 176.094 -0.086 0.000 1.054 719 V CA 2.540 64.769 62.300 -0.118 0.000 1.015 719 V CB -0.867 30.892 31.823 -0.107 0.000 0.638 719 V HN 0.455 nan 8.190 nan 0.000 0.444 720 R N -1.344 119.063 120.500 -0.155 0.000 2.332 720 R HA -0.182 4.158 4.340 -0.000 0.000 0.239 720 R C 2.097 178.377 176.300 -0.035 0.000 1.160 720 R CA 1.590 57.611 56.100 -0.132 0.000 1.020 720 R CB -0.248 29.915 30.300 -0.229 0.000 0.859 720 R HN 0.596 nan 8.270 nan 0.000 0.478 721 F N -0.783 119.130 119.950 -0.062 0.000 2.243 721 F HA -0.072 4.455 4.527 -0.000 0.000 0.287 721 F C 2.091 177.840 175.800 -0.084 0.000 1.067 721 F CA -0.018 57.943 58.000 -0.065 0.000 1.304 721 F CB -0.094 38.856 39.000 -0.083 0.000 1.087 721 F HN -0.073 nan 8.300 nan 0.000 0.513 722 L N 0.382 121.642 121.223 0.062 0.000 1.990 722 L HA -0.313 4.027 4.340 -0.000 0.000 0.213 722 L C 2.106 179.024 176.870 0.081 0.000 1.072 722 L CA 1.387 56.156 54.840 -0.118 0.000 0.755 722 L CB -0.867 40.993 42.059 -0.332 0.000 0.889 722 L HN 0.134 nan 8.230 nan 0.000 0.432 723 N N -0.156 118.610 118.700 0.110 0.000 2.069 723 N HA -0.240 4.500 4.740 -0.000 0.000 0.191 723 N C 1.812 177.397 175.510 0.125 0.000 1.031 723 N CA 1.323 54.452 53.050 0.132 0.000 0.852 723 N CB -0.293 38.246 38.487 0.088 0.000 1.018 723 N HN 0.373 nan 8.380 nan 0.000 0.423 724 E N 0.055 120.327 120.200 0.120 0.000 2.333 724 E HA -0.135 4.215 4.350 -0.000 0.000 0.200 724 E C 1.454 178.126 176.600 0.119 0.000 1.010 724 E CA 0.903 57.378 56.400 0.125 0.000 0.841 724 E CB 0.088 29.883 29.700 0.159 0.000 0.757 724 E HN 0.398 nan 8.360 nan 0.000 0.508 725 A N 0.607 123.498 122.820 0.118 0.000 1.881 725 A HA -0.020 4.300 4.320 -0.000 0.000 0.210 725 A C 2.033 179.700 177.584 0.138 0.000 1.239 725 A CA 0.720 52.822 52.037 0.108 0.000 0.629 725 A CB -0.327 18.719 19.000 0.078 0.000 0.906 725 A HN 0.126 nan 8.150 nan 0.000 0.460 726 R N 0.219 120.829 120.500 0.183 0.000 2.117 726 R HA -0.240 4.100 4.340 -0.000 0.000 0.243 726 R C 1.335 177.693 176.300 0.096 0.000 1.143 726 R CA 2.348 58.537 56.100 0.149 0.000 0.968 726 R CB -0.520 29.871 30.300 0.153 0.000 0.863 726 R HN 0.539 nan 8.270 nan 0.000 0.444 727 D N 0.196 120.673 120.400 0.128 0.000 2.075 727 D HA -0.194 4.446 4.640 -0.000 0.000 0.196 727 D C 1.728 178.178 176.300 0.249 0.000 0.985 727 D CA 2.039 56.156 54.000 0.194 0.000 0.834 727 D CB -0.110 40.816 40.800 0.209 0.000 0.987 727 D HN 0.385 nan 8.370 nan 0.000 0.452 728 K N 0.680 121.185 120.400 0.175 0.000 2.519 728 K HA 0.070 4.390 4.320 -0.000 0.000 0.196 728 K C 1.718 178.397 176.600 0.132 0.000 1.041 728 K CA 0.986 57.360 56.287 0.145 0.000 0.954 728 K CB 0.077 32.635 32.500 0.097 0.000 0.774 728 K HN 0.098 nan 8.250 nan 0.000 0.480 729 A N 1.671 124.568 122.820 0.127 0.000 1.872 729 A HA 0.059 4.379 4.320 -0.000 0.000 0.214 729 A C 2.468 180.119 177.584 0.111 0.000 1.187 729 A CA 1.366 53.462 52.037 0.098 0.000 0.614 729 A CB -1.185 17.865 19.000 0.082 0.000 0.826 729 A HN 0.497 nan 8.150 nan 0.000 0.442 730 G N -0.808 108.076 108.800 0.140 0.000 2.414 730 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.215 730 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.215 730 G C 1.618 176.713 174.900 0.325 0.000 1.188 730 G CA 0.803 46.013 45.100 0.184 0.000 0.783 730 G HN 0.486 nan 8.290 nan 0.000 0.537 731 R N -0.273 120.471 120.500 0.406 0.000 2.350 731 R HA -0.068 4.272 4.340 -0.000 0.000 0.246 731 R C 2.243 178.612 176.300 0.114 0.000 1.182 731 R CA 0.724 56.940 56.100 0.193 0.000 1.030 731 R CB -0.231 30.127 30.300 0.095 0.000 0.861 731 R HN 0.409 nan 8.270 nan 0.000 0.483 732 L N -1.815 119.482 121.223 0.123 0.000 2.189 732 L HA 0.052 4.392 4.340 -0.000 0.000 0.199 732 L C 2.529 179.447 176.870 0.080 0.000 1.074 732 L CA 0.807 55.695 54.840 0.081 0.000 0.783 732 L CB -0.561 41.539 42.059 0.069 0.000 0.955 732 L HN 0.152 nan 8.230 nan 0.000 0.460 733 A N 0.310 123.188 122.820 0.097 0.000 1.902 733 A HA -0.261 4.058 4.320 -0.000 0.000 0.217 733 A C 2.186 179.831 177.584 0.101 0.000 1.181 733 A CA 1.838 53.927 52.037 0.086 0.000 0.623 733 A CB -0.625 18.424 19.000 0.081 0.000 0.818 733 A HN 0.485 nan 8.150 nan 0.000 0.443 734 E N -0.243 120.049 120.200 0.152 0.000 2.219 734 E HA -0.152 4.197 4.350 -0.000 0.000 0.198 734 E C 1.123 177.770 176.600 0.077 0.000 0.998 734 E CA 1.543 58.032 56.400 0.149 0.000 0.818 734 E CB -0.055 29.768 29.700 0.205 0.000 0.741 734 E HN 0.363 nan 8.360 nan 0.000 0.477 735 V N 1.174 121.124 119.914 0.059 0.000 3.660 735 V HA 0.003 4.122 4.120 -0.000 0.000 0.276 735 V C 1.785 177.901 176.094 0.037 0.000 1.317 735 V CA 0.675 62.996 62.300 0.035 0.000 1.097 735 V CB 0.077 31.913 31.823 0.021 0.000 0.863 735 V HN 0.339 nan 8.190 nan 0.000 0.438 736 N N 0.515 119.242 118.700 0.046 0.000 2.392 736 N HA 0.091 4.831 4.740 -0.000 0.000 0.177 736 N C 0.574 176.108 175.510 0.040 0.000 1.066 736 N CA 0.071 53.144 53.050 0.040 0.000 0.895 736 N CB 0.357 38.868 38.487 0.040 0.000 0.988 736 N HN 0.375 nan 8.380 nan 0.000 0.457 737 L N 3.376 124.628 121.223 0.048 0.000 2.325 737 L HA 0.160 4.500 4.340 -0.000 0.000 0.284 737 L C 0.414 177.312 176.870 0.046 0.000 1.089 737 L CA -0.303 54.567 54.840 0.049 0.000 0.836 737 L CB 0.689 42.783 42.059 0.059 0.000 1.184 737 L HN -0.015 nan 8.230 nan 0.000 0.444 738 K N 1.973 122.397 120.400 0.041 0.000 2.402 738 K HA -0.041 4.279 4.320 -0.000 0.000 0.265 738 K C 0.080 176.709 176.600 0.048 0.000 0.978 738 K CA -0.357 55.954 56.287 0.040 0.000 0.913 738 K CB 0.502 33.023 32.500 0.036 0.000 0.954 738 K HN 0.403 nan 8.250 nan 0.000 0.511 739 D N 0.659 121.087 120.400 0.047 0.000 2.358 739 D HA -0.014 4.626 4.640 -0.000 0.000 0.241 739 D C 0.886 177.227 176.300 0.068 0.000 1.094 739 D CA 0.530 54.563 54.000 0.055 0.000 0.907 739 D CB -0.237 40.591 40.800 0.047 0.000 0.893 739 D HN 0.411 nan 8.370 nan 0.000 0.528 740 L N -2.787 118.476 121.223 0.066 0.000 2.749 740 L HA 0.304 4.644 4.340 -0.000 0.000 0.242 740 L C 0.434 177.349 176.870 0.076 0.000 1.103 740 L CA -0.453 54.432 54.840 0.075 0.000 0.906 740 L CB -0.627 41.466 42.059 0.057 0.000 1.228 740 L HN -0.271 nan 8.230 nan 0.000 0.517 741 N N 1.650 120.390 118.700 0.066 0.000 2.434 741 N HA -0.025 4.715 4.740 -0.000 0.000 0.268 741 N C 0.916 176.479 175.510 0.089 0.000 1.256 741 N CA 0.142 53.227 53.050 0.058 0.000 0.914 741 N CB 0.358 38.878 38.487 0.055 0.000 1.088 741 N HN 0.228 nan 8.380 nan 0.000 0.478 742 N N 2.962 121.702 118.700 0.067 0.000 2.018 742 N HA -0.200 4.540 4.740 -0.000 0.000 0.196 742 N C 1.419 177.040 175.510 0.186 0.000 1.043 742 N CA 1.380 54.506 53.050 0.126 0.000 0.856 742 N CB -0.462 37.926 38.487 -0.165 0.000 1.042 742 N HN 0.337 nan 8.380 nan 0.000 0.423 743 V N 1.895 121.868 119.914 0.099 0.000 2.317 743 V HA -0.282 3.838 4.120 -0.000 0.000 0.251 743 V C 2.560 178.725 176.094 0.119 0.000 1.065 743 V CA 1.840 64.204 62.300 0.107 0.000 1.049 743 V CB -0.558 31.306 31.823 0.068 0.000 0.651 743 V HN 0.403 nan 8.190 nan 0.000 0.450 744 K N -0.611 119.853 120.400 0.108 0.000 2.057 744 K HA -0.209 4.111 4.320 -0.000 0.000 0.206 744 K C 2.294 178.957 176.600 0.105 0.000 1.050 744 K CA 1.532 57.879 56.287 0.100 0.000 0.935 744 K CB -0.163 32.388 32.500 0.085 0.000 0.715 744 K HN 0.521 nan 8.250 nan 0.000 0.439 745 Q N 0.075 119.955 119.800 0.132 0.000 2.096 745 Q HA -0.226 4.114 4.340 -0.000 0.000 0.208 745 Q C 2.194 178.251 176.000 0.096 0.000 0.993 745 Q CA 2.335 58.215 55.803 0.128 0.000 0.862 745 Q CB -0.128 28.738 28.738 0.213 0.000 0.915 745 Q HN 0.423 nan 8.270 nan 0.000 0.416 746 M N -0.325 119.364 119.600 0.149 0.000 2.117 746 M HA -0.160 4.320 4.480 -0.000 0.000 0.262 746 M C 2.227 178.570 176.300 0.072 0.000 1.065 746 M CA 1.095 56.458 55.300 0.104 0.000 1.114 746 M CB -0.226 32.474 32.600 0.167 0.000 1.361 746 M HN 0.098 nan 8.290 nan 0.000 0.408 747 V N 0.325 120.290 119.914 0.085 0.000 2.490 747 V HA -0.268 3.852 4.120 -0.000 0.000 0.250 747 V C 2.295 178.421 176.094 0.053 0.000 1.061 747 V CA 1.575 63.920 62.300 0.074 0.000 1.064 747 V CB -0.703 31.174 31.823 0.090 0.000 0.670 747 V HN 0.521 nan 8.190 nan 0.000 0.461 748 M N -0.218 119.410 119.600 0.046 0.000 2.236 748 M HA -0.020 4.460 4.480 -0.000 0.000 0.266 748 M C 2.377 178.682 176.300 0.009 0.000 1.070 748 M CA 1.752 57.068 55.300 0.027 0.000 1.137 748 M CB -0.451 32.165 32.600 0.026 0.000 1.378 748 M HN 0.386 nan 8.290 nan 0.000 0.426 749 A N -0.035 122.784 122.820 -0.000 0.000 2.015 749 A HA 0.153 4.473 4.320 -0.000 0.000 0.219 749 A C 1.790 179.369 177.584 -0.009 0.000 1.163 749 A CA 1.436 53.461 52.037 -0.021 0.000 0.646 749 A CB -0.885 18.086 19.000 -0.049 0.000 0.806 749 A HN 0.660 nan 8.150 nan 0.000 0.448 750 G N -1.041 107.764 108.800 0.009 0.000 2.132 750 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.234 750 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.234 750 G C 1.057 175.968 174.900 0.017 0.000 0.989 750 G CA 1.223 46.333 45.100 0.017 0.000 0.676 750 G HN 1.460 nan 8.290 nan 0.000 0.522 751 S N -1.620 114.088 115.700 0.015 0.000 2.425 751 S HA 0.453 4.923 4.470 -0.000 0.000 0.225 751 S C 0.927 175.547 174.600 0.034 0.000 1.024 751 S CA 1.487 59.697 58.200 0.018 0.000 0.951 751 S CB 0.602 63.803 63.200 0.001 0.000 0.796 751 S HN 0.429 nan 8.310 nan 0.000 0.498 752 K N -0.261 120.166 120.400 0.044 0.000 2.660 752 K HA 0.494 4.813 4.320 -0.000 0.000 0.285 752 K C -0.243 176.392 176.600 0.058 0.000 0.997 752 K CA 0.276 56.593 56.287 0.051 0.000 0.861 752 K CB 1.094 33.630 32.500 0.060 0.000 1.469 752 K HN 0.549 nan 8.250 nan 0.000 0.395 753 G N 1.257 110.088 108.800 0.053 0.000 3.149 753 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.685 753 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.685 753 G C -0.193 174.751 174.900 0.072 0.000 1.589 753 G CA 0.356 45.491 45.100 0.058 0.000 1.187 753 G HN 1.001 nan 8.290 nan 0.000 0.604 754 S N 1.376 117.124 115.700 0.081 0.000 2.851 754 S HA 0.761 5.231 4.470 -0.000 0.000 0.317 754 S C 1.033 175.734 174.600 0.168 0.000 1.144 754 S CA 0.283 58.554 58.200 0.119 0.000 0.862 754 S CB 1.266 64.534 63.200 0.113 0.000 1.259 754 S HN 1.673 nan 8.310 nan 0.000 0.564 755 F N 1.730 121.700 119.950 0.034 0.000 2.021 755 F HA -0.165 4.362 4.527 -0.000 0.000 0.297 755 F C 2.044 177.868 175.800 0.040 0.000 1.152 755 F CA 1.778 59.799 58.000 0.035 0.000 1.201 755 F CB -0.869 38.150 39.000 0.031 0.000 0.951 755 F HN 0.471 nan 8.300 nan 0.000 0.504 756 I N 1.112 121.481 120.570 -0.335 0.000 2.182 756 I HA -0.434 3.736 4.170 -0.000 0.000 0.248 756 I C 2.224 178.202 176.117 -0.232 0.000 1.073 756 I CA 1.815 62.853 61.300 -0.437 0.000 1.335 756 I CB -1.709 36.185 38.000 -0.177 0.000 1.031 756 I HN 0.359 nan 8.210 nan 0.000 0.420 757 N N 1.114 119.767 118.700 -0.079 0.000 2.018 757 N HA -0.199 4.541 4.740 -0.000 0.000 0.196 757 N C 1.993 177.500 175.510 -0.005 0.000 1.043 757 N CA 1.609 54.655 53.050 -0.007 0.000 0.856 757 N CB -0.477 38.026 38.487 0.028 0.000 1.042 757 N HN 0.378 nan 8.380 nan 0.000 0.423 758 I N 1.593 122.165 120.570 0.004 0.000 2.118 758 I HA -0.322 3.848 4.170 -0.000 0.000 0.241 758 I C 2.442 178.549 176.117 -0.016 0.000 1.070 758 I CA 1.358 62.677 61.300 0.032 0.000 1.327 758 I CB -0.522 37.539 38.000 0.101 0.000 1.034 758 I HN 0.095 nan 8.210 nan 0.000 0.405 759 A N 0.445 123.184 122.820 -0.135 0.000 1.849 759 A HA -0.339 3.981 4.320 -0.000 0.000 0.216 759 A C 2.215 179.727 177.584 -0.120 0.000 1.225 759 A CA 2.181 54.107 52.037 -0.184 0.000 0.653 759 A CB -1.148 17.578 19.000 -0.457 0.000 0.844 759 A HN 0.502 nan 8.150 nan 0.000 0.453 760 Q N -1.296 118.423 119.800 -0.134 0.000 2.290 760 Q HA -0.236 4.104 4.340 -0.000 0.000 0.211 760 Q C 2.174 178.162 176.000 -0.020 0.000 0.991 760 Q CA 1.934 57.662 55.803 -0.125 0.000 0.893 760 Q CB -0.327 28.396 28.738 -0.024 0.000 0.913 760 Q HN 0.753 nan 8.270 nan 0.000 0.428 761 M N -1.319 118.347 119.600 0.109 0.000 2.325 761 M HA -0.049 4.431 4.480 -0.000 0.000 0.265 761 M C 1.938 178.283 176.300 0.074 0.000 1.094 761 M CA 1.011 56.420 55.300 0.181 0.000 1.161 761 M CB 0.373 33.054 32.600 0.136 0.000 1.358 761 M HN 0.014 nan 8.290 nan 0.000 0.446 762 S N -0.027 115.692 115.700 0.031 0.000 2.468 762 S HA 0.262 4.732 4.470 -0.000 0.000 0.226 762 S C 1.640 176.239 174.600 -0.001 0.000 1.051 762 S CA 0.514 58.726 58.200 0.020 0.000 0.943 762 S CB 0.217 63.436 63.200 0.032 0.000 0.810 762 S HN 0.431 nan 8.310 nan 0.000 0.509 763 A N 0.257 123.064 122.820 -0.021 0.000 2.453 763 A HA 0.519 4.839 4.320 -0.000 0.000 0.225 763 A C 0.740 178.284 177.584 -0.067 0.000 2.127 763 A CA 0.358 52.380 52.037 -0.025 0.000 0.864 763 A CB -0.552 18.447 19.000 -0.003 0.000 1.440 763 A HN 0.520 nan 8.150 nan 0.000 0.566 764 C N -0.643 118.597 119.300 -0.100 0.000 2.535 764 C HA 0.603 5.062 4.460 -0.000 0.000 0.319 764 C C 1.657 176.492 174.990 -0.258 0.000 1.171 764 C CA -0.354 58.565 59.018 -0.165 0.000 1.394 764 C CB 0.572 28.258 27.740 -0.090 0.000 1.990 764 C HN 0.526 nan 8.230 nan 0.000 0.466 765 V N 5.141 124.817 119.914 -0.397 0.000 2.216 765 V HA 0.306 4.425 4.120 -0.000 0.000 0.243 765 V C 1.611 177.479 176.094 -0.377 0.000 1.044 765 V CA 2.428 64.432 62.300 -0.495 0.000 0.995 765 V CB -1.199 30.208 31.823 -0.693 0.000 0.633 765 V HN 1.597 nan 8.190 nan 0.000 0.446 766 G N -0.969 107.543 108.800 -0.480 0.000 2.351 766 G HA2 0.159 4.119 3.960 -0.000 0.000 0.353 766 G HA3 0.159 4.119 3.960 -0.000 0.000 0.353 766 G C -1.094 173.626 174.900 -0.301 0.000 1.358 766 G CA -0.189 44.709 45.100 -0.337 0.000 0.995 766 G HN 0.463 nan 8.290 nan 0.000 0.611 767 Q N 0.205 120.037 119.800 0.053 0.000 2.296 767 Q HA 0.563 4.903 4.340 -0.000 0.000 0.263 767 Q C 0.502 176.561 176.000 0.099 0.000 1.026 767 Q CA -0.005 55.928 55.803 0.217 0.000 0.912 767 Q CB 0.841 29.800 28.738 0.369 0.000 1.198 767 Q HN 0.550 nan 8.270 nan 0.000 0.407 768 Q N 1.687 121.545 119.800 0.095 0.000 2.454 768 Q HA 0.467 4.807 4.340 -0.000 0.000 0.247 768 Q C -0.894 175.125 176.000 0.031 0.000 1.028 768 Q CA 0.363 56.219 55.803 0.088 0.000 0.910 768 Q CB 1.126 29.950 28.738 0.143 0.000 1.276 768 Q HN 0.853 nan 8.270 nan 0.000 0.489 769 S N -0.940 114.764 115.700 0.006 0.000 2.565 769 S HA 0.831 5.300 4.470 -0.000 0.000 0.269 769 S C -1.418 173.157 174.600 -0.042 0.000 1.153 769 S CA -0.930 57.253 58.200 -0.029 0.000 0.835 769 S CB 1.172 64.360 63.200 -0.020 0.000 1.122 769 S HN 0.247 nan 8.310 nan 0.000 0.462 770 V N 1.266 121.146 119.914 -0.057 0.000 2.668 770 V HA 0.547 4.667 4.120 -0.000 0.000 0.304 770 V C -0.095 175.966 176.094 -0.054 0.000 1.071 770 V CA -0.730 61.536 62.300 -0.056 0.000 0.894 770 V CB 0.927 32.711 31.823 -0.065 0.000 1.008 770 V HN 1.152 nan 8.190 nan 0.000 0.425 771 E N 3.100 123.273 120.200 -0.045 0.000 2.660 771 E HA -0.326 4.024 4.350 -0.000 0.000 0.260 771 E C 1.287 177.862 176.600 -0.042 0.000 1.122 771 E CA 0.912 57.288 56.400 -0.040 0.000 0.755 771 E CB -1.187 28.489 29.700 -0.040 0.000 1.345 771 E HN 1.585 nan 8.360 nan 0.000 0.421 772 G N 0.269 109.044 108.800 -0.042 0.000 4.890 772 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.221 772 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.221 772 G C 0.073 174.939 174.900 -0.057 0.000 1.472 772 G CA 0.186 45.260 45.100 -0.043 0.000 0.962 772 G HN 0.250 nan 8.290 nan 0.000 0.671 773 K N 3.395 123.754 120.400 -0.068 0.000 2.473 773 K HA 0.235 4.554 4.320 -0.000 0.000 0.277 773 K C 1.209 177.742 176.600 -0.112 0.000 1.052 773 K CA 0.437 56.667 56.287 -0.094 0.000 1.114 773 K CB 0.218 32.659 32.500 -0.098 0.000 0.869 773 K HN 0.752 nan 8.250 nan 0.000 0.481 774 R N 2.389 122.813 120.500 -0.127 0.000 2.862 774 R HA -0.032 4.308 4.340 -0.000 0.000 0.267 774 R C 0.497 176.685 176.300 -0.187 0.000 0.995 774 R CA -0.593 55.426 56.100 -0.135 0.000 1.140 774 R CB -0.154 30.065 30.300 -0.134 0.000 1.031 774 R HN 0.438 nan 8.270 nan 0.000 0.459 775 I N 0.908 121.346 120.570 -0.221 0.000 3.075 775 I HA -0.203 3.967 4.170 -0.000 0.000 0.320 775 I C 1.125 177.088 176.117 -0.257 0.000 1.211 775 I CA 0.803 61.937 61.300 -0.277 0.000 1.463 775 I CB -0.910 36.759 38.000 -0.551 0.000 1.308 775 I HN 0.806 nan 8.210 nan 0.000 0.553 776 A N 7.468 130.179 122.820 -0.181 0.000 2.517 776 A HA 0.617 4.937 4.320 -0.000 0.000 0.280 776 A C -0.172 177.440 177.584 0.045 0.000 1.353 776 A CA -0.543 51.383 52.037 -0.184 0.000 0.907 776 A CB 0.470 19.393 19.000 -0.128 0.000 1.495 776 A HN 0.588 nan 8.150 nan 0.000 0.506 777 F N 0.683 120.604 119.950 -0.048 0.000 2.467 777 F HA 0.281 4.808 4.527 -0.000 0.000 0.349 777 F C 1.620 177.432 175.800 0.018 0.000 1.182 777 F CA -0.339 57.666 58.000 0.007 0.000 1.279 777 F CB 0.634 39.645 39.000 0.019 0.000 1.626 777 F HN 0.755 nan 8.300 nan 0.000 0.596 778 G N 2.397 111.291 108.800 0.157 0.000 2.408 778 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.215 778 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.215 778 G C 0.411 175.349 174.900 0.065 0.000 1.156 778 G CA -0.018 45.096 45.100 0.024 0.000 0.793 778 G HN 0.366 nan 8.290 nan 0.000 0.535 779 F N 1.230 121.212 119.950 0.054 0.000 2.420 779 F HA 0.298 4.825 4.527 -0.000 0.000 0.352 779 F C 0.614 176.390 175.800 -0.039 0.000 1.108 779 F CA -1.198 56.802 58.000 0.000 0.000 1.162 779 F CB 1.664 40.650 39.000 -0.025 0.000 1.118 779 F HN -0.273 nan 8.300 nan 0.000 0.510 780 V N 5.703 125.726 119.914 0.182 0.000 2.810 780 V HA -0.254 3.866 4.120 -0.000 0.000 0.290 780 V C 0.339 176.376 176.094 -0.096 0.000 1.029 780 V CA 0.794 63.124 62.300 0.050 0.000 1.219 780 V CB -0.961 30.881 31.823 0.031 0.000 0.829 780 V HN 0.868 nan 8.190 nan 0.000 0.457 781 D N 3.417 123.702 120.400 -0.192 0.000 2.708 781 D HA -0.193 4.447 4.640 -0.000 0.000 0.236 781 D C 0.482 176.014 176.300 -1.280 0.000 1.146 781 D CA 1.609 55.232 54.000 -0.627 0.000 0.662 781 D CB -0.296 40.369 40.800 -0.224 0.000 1.059 781 D HN 1.005 nan 8.370 nan 0.000 0.428 782 R N -4.176 115.545 120.500 -1.298 0.000 2.829 782 R HA 0.395 4.735 4.340 -0.000 0.000 0.283 782 R C 0.254 176.625 176.300 0.118 0.000 1.013 782 R CA -0.870 54.842 56.100 -0.647 0.000 0.848 782 R CB 0.201 30.407 30.300 -0.156 0.000 1.291 782 R HN -0.211 nan 8.270 nan 0.000 0.496 783 T N 0.520 115.310 114.554 0.392 0.000 2.739 783 T HA 0.248 4.598 4.350 -0.000 0.000 0.246 783 T C 0.724 175.599 174.700 0.293 0.000 1.058 783 T CA 0.607 62.938 62.100 0.386 0.000 1.184 783 T CB -0.103 69.062 68.868 0.496 0.000 0.887 783 T HN 0.263 nan 8.240 nan 0.000 0.408 784 L N 1.520 122.798 121.223 0.091 0.000 2.313 784 L HA 0.370 4.710 4.340 -0.000 0.000 0.268 784 L C -1.613 175.257 176.870 -0.000 0.000 1.010 784 L CA -2.409 52.426 54.840 -0.009 0.000 0.814 784 L CB 1.319 43.022 42.059 -0.595 0.000 1.304 784 L HN 0.020 nan 8.230 nan 0.000 0.441 785 P HA -0.116 nan 4.420 nan 0.000 0.239 785 P C 0.714 178.031 177.300 0.029 0.000 1.184 785 P CA 1.150 64.138 63.100 -0.185 0.000 0.760 785 P CB -0.081 31.422 31.700 -0.329 0.000 0.884 786 H N -1.470 117.437 119.070 -0.272 0.000 2.543 786 H HA 0.200 4.756 4.556 -0.000 0.000 0.269 786 H C 0.378 175.735 175.328 0.048 0.000 1.005 786 H CA -0.211 55.712 56.048 -0.209 0.000 1.146 786 H CB -0.271 29.293 29.762 -0.330 0.000 1.353 786 H HN 0.227 nan 8.280 nan 0.000 0.595 787 F N 0.056 120.089 119.950 0.138 0.000 2.577 787 F HA 0.292 4.819 4.527 -0.000 0.000 0.318 787 F C 0.185 176.003 175.800 0.031 0.000 1.065 787 F CA -1.456 56.602 58.000 0.096 0.000 0.929 787 F CB 1.945 41.020 39.000 0.126 0.000 1.237 787 F HN -0.161 nan 8.300 nan 0.000 0.468 788 S N 1.809 117.645 115.700 0.226 0.000 2.523 788 S HA 0.194 4.664 4.470 -0.000 0.000 0.275 788 S C -0.167 174.477 174.600 0.074 0.000 1.281 788 S CA -0.916 57.345 58.200 0.102 0.000 1.050 788 S CB 0.804 64.048 63.200 0.073 0.000 0.937 788 S HN 0.421 nan 8.310 nan 0.000 0.492 789 K N 1.611 122.018 120.400 0.012 0.000 2.443 789 K HA -0.105 4.215 4.320 -0.000 0.000 0.268 789 K C -0.207 176.396 176.600 0.006 0.000 0.971 789 K CA 0.581 56.838 56.287 -0.049 0.000 0.902 789 K CB -0.095 32.370 32.500 -0.057 0.000 0.950 789 K HN 0.627 nan 8.250 nan 0.000 0.525 790 D N 0.646 121.036 120.400 -0.016 0.000 2.704 790 D HA -0.177 4.463 4.640 -0.000 0.000 0.232 790 D C -0.802 175.708 176.300 0.349 0.000 1.183 790 D CA 0.967 55.107 54.000 0.234 0.000 0.647 790 D CB -0.695 40.214 40.800 0.182 0.000 1.013 790 D HN 0.405 nan 8.370 nan 0.000 0.415 791 D N 0.036 120.638 120.400 0.337 0.000 2.477 791 D HA 0.103 4.743 4.640 -0.000 0.000 0.239 791 D C -0.004 176.539 176.300 0.405 0.000 1.102 791 D CA -0.598 53.582 54.000 0.299 0.000 0.901 791 D CB 0.198 41.065 40.800 0.110 0.000 1.026 791 D HN 0.151 nan 8.370 nan 0.000 0.515 792 Y N 1.256 121.699 120.300 0.238 0.000 2.529 792 Y HA 0.001 4.550 4.550 -0.000 0.000 0.290 792 Y C 1.660 177.649 175.900 0.147 0.000 1.177 792 Y CA -0.203 58.039 58.100 0.236 0.000 1.305 792 Y CB -0.372 38.285 38.460 0.328 0.000 1.047 792 Y HN 0.266 nan 8.280 nan 0.000 0.522 793 S N 1.502 117.327 115.700 0.209 0.000 2.569 793 S HA -0.012 4.458 4.470 -0.000 0.000 0.274 793 S C -1.266 173.369 174.600 0.058 0.000 1.353 793 S CA -0.892 57.370 58.200 0.103 0.000 1.023 793 S CB 0.969 64.186 63.200 0.029 0.000 0.876 793 S HN 0.115 nan 8.310 nan 0.000 0.540 794 P HA -0.040 nan 4.420 nan 0.000 0.219 794 P C 0.522 177.921 177.300 0.165 0.000 1.150 794 P CA 1.091 64.213 63.100 0.037 0.000 0.814 794 P CB -0.134 31.495 31.700 -0.119 0.000 0.787 795 E N -0.249 120.024 120.200 0.122 0.000 2.516 795 E HA -0.032 4.318 4.350 -0.000 0.000 0.199 795 E C 1.888 178.587 176.600 0.165 0.000 1.069 795 E CA 0.607 57.107 56.400 0.166 0.000 0.876 795 E CB -0.487 29.251 29.700 0.063 0.000 0.843 795 E HN 0.258 nan 8.360 nan 0.000 0.530 796 S N -0.714 115.061 115.700 0.124 0.000 2.670 796 S HA 0.084 4.554 4.470 -0.000 0.000 0.241 796 S C 1.401 176.192 174.600 0.320 0.000 1.077 796 S CA -0.285 58.062 58.200 0.244 0.000 0.899 796 S CB 0.254 63.364 63.200 -0.151 0.000 0.835 796 S HN -0.091 nan 8.310 nan 0.000 0.481 797 K N 1.435 121.897 120.400 0.103 0.000 2.487 797 K HA 0.262 4.582 4.320 -0.000 0.000 0.192 797 K C 0.852 177.342 176.600 -0.183 0.000 1.027 797 K CA 0.756 56.992 56.287 -0.086 0.000 1.054 797 K CB 0.178 32.608 32.500 -0.118 0.000 0.824 797 K HN 0.606 nan 8.250 nan 0.000 0.510 798 G N 1.807 110.591 108.800 -0.027 0.000 2.455 798 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.169 798 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.169 798 G C -0.789 174.295 174.900 0.306 0.000 1.074 798 G CA -0.652 44.490 45.100 0.070 0.000 0.796 798 G HN 0.198 nan 8.290 nan 0.000 0.489 799 F N 1.275 121.346 119.950 0.201 0.000 2.427 799 F HA 0.670 5.197 4.527 -0.000 0.000 0.346 799 F C 0.065 175.943 175.800 0.129 0.000 1.120 799 F CA -1.200 56.870 58.000 0.117 0.000 1.033 799 F CB 2.014 41.057 39.000 0.073 0.000 1.126 799 F HN 0.055 nan 8.300 nan 0.000 0.462 800 V N 7.596 127.201 119.914 -0.515 0.000 2.288 800 V HA 0.121 4.241 4.120 -0.000 0.000 0.266 800 V C 0.962 176.663 176.094 -0.655 0.000 1.048 800 V CA -0.205 61.848 62.300 -0.412 0.000 0.842 800 V CB 0.812 32.438 31.823 -0.328 0.000 1.064 800 V HN 0.963 nan 8.190 nan 0.000 0.472 801 E N 4.007 123.974 120.200 -0.390 0.000 2.072 801 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 801 E C 0.971 177.464 176.600 -0.178 0.000 0.985 801 E CA 0.572 56.840 56.400 -0.219 0.000 0.801 801 E CB 0.274 30.018 29.700 0.073 0.000 0.750 801 E HN 0.727 nan 8.360 nan 0.000 0.452 802 N N 1.121 119.729 118.700 -0.153 0.000 2.340 802 N HA -0.037 4.703 4.740 -0.000 0.000 0.236 802 N C -0.093 175.287 175.510 -0.218 0.000 1.296 802 N CA 0.582 53.551 53.050 -0.134 0.000 0.896 802 N CB 1.015 39.444 38.487 -0.096 0.000 1.127 802 N HN 0.114 nan 8.380 nan 0.000 0.442 803 S N -0.456 115.144 115.700 -0.166 0.000 2.722 803 S HA 0.303 4.773 4.470 -0.000 0.000 0.292 803 S C 0.971 175.469 174.600 -0.171 0.000 1.135 803 S CA -0.689 57.389 58.200 -0.203 0.000 1.003 803 S CB 0.524 63.669 63.200 -0.092 0.000 1.067 803 S HN 0.548 nan 8.310 nan 0.000 0.546 804 Y N -0.245 120.015 120.300 -0.067 0.000 2.333 804 Y HA -0.087 4.463 4.550 -0.000 0.000 0.290 804 Y C 2.216 178.099 175.900 -0.029 0.000 1.144 804 Y CA 0.742 58.813 58.100 -0.048 0.000 1.228 804 Y CB -0.142 38.293 38.460 -0.041 0.000 0.985 804 Y HN 0.568 nan 8.280 nan 0.000 0.542 805 L N 0.683 121.975 121.223 0.115 0.000 1.994 805 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 805 L C 2.200 179.093 176.870 0.038 0.000 1.071 805 L CA 1.727 56.605 54.840 0.063 0.000 0.745 805 L CB -0.635 41.447 42.059 0.039 0.000 0.892 805 L HN 0.034 nan 8.230 nan 0.000 0.431 806 R N -0.084 120.426 120.500 0.016 0.000 2.070 806 R HA 0.205 4.545 4.340 -0.000 0.000 0.233 806 R C 0.585 176.889 176.300 0.007 0.000 1.137 806 R CA 0.826 56.927 56.100 0.002 0.000 0.945 806 R CB -0.669 29.621 30.300 -0.017 0.000 0.845 806 R HN 0.567 nan 8.270 nan 0.000 0.430 807 G N 0.093 108.899 108.800 0.009 0.000 2.906 807 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.686 807 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.686 807 G C -0.968 173.931 174.900 -0.001 0.000 1.170 807 G CA -1.090 44.025 45.100 0.025 0.000 0.775 807 G HN 0.000 nan 8.290 nan 0.000 0.630 808 L N 1.096 122.334 121.223 0.025 0.000 2.474 808 L HA 0.695 5.035 4.340 -0.000 0.000 0.259 808 L C 1.752 178.637 176.870 0.025 0.000 1.232 808 L CA 0.703 55.559 54.840 0.027 0.000 0.821 808 L CB 0.773 42.905 42.059 0.122 0.000 1.108 808 L HN 1.098 nan 8.230 nan 0.000 0.495 809 T N -2.477 112.097 114.554 0.034 0.000 2.925 809 T HA 0.462 4.812 4.350 -0.000 0.000 0.285 809 T C -2.018 172.712 174.700 0.051 0.000 1.021 809 T CA -1.971 60.144 62.100 0.026 0.000 1.042 809 T CB 1.696 70.581 68.868 0.029 0.000 1.037 809 T HN 0.351 nan 8.240 nan 0.000 0.481 810 P HA -0.259 nan 4.420 nan 0.000 0.222 810 P C 1.437 178.746 177.300 0.015 0.000 1.159 810 P CA 1.710 64.853 63.100 0.072 0.000 0.920 810 P CB 0.022 31.752 31.700 0.049 0.000 0.793 811 Q N -0.702 119.009 119.800 -0.147 0.000 2.050 811 Q HA -0.160 4.180 4.340 -0.000 0.000 0.202 811 Q C 2.192 177.808 176.000 -0.640 0.000 0.980 811 Q CA 1.484 56.980 55.803 -0.511 0.000 0.840 811 Q CB -0.805 27.709 28.738 -0.374 0.000 0.898 811 Q HN 0.412 nan 8.270 nan 0.000 0.424 812 E N -0.010 120.055 120.200 -0.226 0.000 2.038 812 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 812 E C 1.820 178.460 176.600 0.066 0.000 1.000 812 E CA 1.157 57.519 56.400 -0.063 0.000 0.803 812 E CB -0.317 29.387 29.700 0.006 0.000 0.750 812 E HN 0.268 nan 8.360 nan 0.000 0.448 813 F N 1.051 120.982 119.950 -0.031 0.000 2.065 813 F HA -0.252 4.275 4.527 -0.000 0.000 0.298 813 F C 2.141 178.000 175.800 0.099 0.000 1.112 813 F CA 1.530 59.566 58.000 0.060 0.000 1.212 813 F CB -0.516 38.515 39.000 0.052 0.000 0.975 813 F HN -0.047 nan 8.300 nan 0.000 0.476 814 F N -0.267 119.630 119.950 -0.088 0.000 2.216 814 F HA -0.173 4.354 4.527 -0.000 0.000 0.300 814 F C 2.038 177.847 175.800 0.016 0.000 1.085 814 F CA 1.459 59.367 58.000 -0.153 0.000 1.326 814 F CB -0.505 38.434 39.000 -0.103 0.000 1.027 814 F HN 0.020 nan 8.300 nan 0.000 0.497 815 F N -1.291 118.772 119.950 0.188 0.000 2.060 815 F HA -0.234 4.293 4.527 -0.000 0.000 0.295 815 F C 2.621 178.426 175.800 0.008 0.000 1.120 815 F CA 0.964 59.035 58.000 0.118 0.000 1.205 815 F CB -0.978 38.112 39.000 0.150 0.000 0.986 815 F HN -0.018 nan 8.300 nan 0.000 0.470 816 H N 0.807 119.953 119.070 0.127 0.000 2.400 816 H HA -0.243 4.313 4.556 -0.000 0.000 0.295 816 H C 1.918 177.178 175.328 -0.113 0.000 1.118 816 H CA 1.419 57.468 56.048 0.001 0.000 1.256 816 H CB -0.508 29.251 29.762 -0.004 0.000 1.365 816 H HN 0.244 nan 8.280 nan 0.000 0.502 817 A N 0.451 123.105 122.820 -0.277 0.000 1.829 817 A HA -0.238 4.081 4.320 -0.000 0.000 0.216 817 A C 2.618 179.985 177.584 -0.361 0.000 1.207 817 A CA 2.170 53.923 52.037 -0.474 0.000 0.622 817 A CB -1.033 17.536 19.000 -0.719 0.000 0.846 817 A HN 0.521 nan 8.150 nan 0.000 0.447 818 M N -0.370 119.027 119.600 -0.337 0.000 2.116 818 M HA -0.228 4.252 4.480 -0.000 0.000 0.255 818 M C 2.177 178.388 176.300 -0.148 0.000 1.075 818 M CA 1.837 57.008 55.300 -0.215 0.000 1.087 818 M CB -0.856 31.692 32.600 -0.087 0.000 1.340 818 M HN 0.556 nan 8.290 nan 0.000 0.402 819 G N -0.510 108.223 108.800 -0.111 0.000 2.402 819 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.216 819 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.216 819 G C 1.515 176.333 174.900 -0.137 0.000 1.162 819 G CA 0.892 45.940 45.100 -0.087 0.000 0.777 819 G HN 0.574 nan 8.290 nan 0.000 0.539 820 G N 1.007 109.661 108.800 -0.244 0.000 2.433 820 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.216 820 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.216 820 G C 1.832 176.616 174.900 -0.193 0.000 1.186 820 G CA 1.215 46.150 45.100 -0.275 0.000 0.779 820 G HN 0.516 nan 8.290 nan 0.000 0.543 821 R N 1.012 121.390 120.500 -0.204 0.000 2.185 821 R HA -0.126 4.214 4.340 -0.000 0.000 0.247 821 R C 2.132 178.362 176.300 -0.116 0.000 1.159 821 R CA 2.115 58.120 56.100 -0.159 0.000 0.988 821 R CB -0.652 29.543 30.300 -0.175 0.000 0.871 821 R HN 0.533 nan 8.270 nan 0.000 0.458 822 E N -0.849 119.287 120.200 -0.107 0.000 2.077 822 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 822 E C 1.733 178.292 176.600 -0.068 0.000 0.989 822 E CA 1.256 57.609 56.400 -0.078 0.000 0.800 822 E CB -0.381 29.278 29.700 -0.068 0.000 0.746 822 E HN 0.581 nan 8.360 nan 0.000 0.452 823 G N 1.622 110.379 108.800 -0.073 0.000 2.484 823 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.215 823 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.215 823 G C 1.578 176.443 174.900 -0.058 0.000 1.219 823 G CA 0.829 45.893 45.100 -0.060 0.000 0.791 823 G HN 0.239 nan 8.290 nan 0.000 0.550 824 L N 0.168 121.349 121.223 -0.070 0.000 2.171 824 L HA -0.216 4.124 4.340 -0.000 0.000 0.216 824 L C 2.766 179.604 176.870 -0.054 0.000 1.084 824 L CA 0.845 55.647 54.840 -0.063 0.000 0.771 824 L CB -0.429 41.585 42.059 -0.075 0.000 0.890 824 L HN 0.304 nan 8.230 nan 0.000 0.437 825 I N 0.043 120.580 120.570 -0.056 0.000 2.330 825 I HA -0.253 3.917 4.170 -0.000 0.000 0.229 825 I C 2.268 178.362 176.117 -0.039 0.000 1.063 825 I CA 1.374 62.646 61.300 -0.047 0.000 1.367 825 I CB -0.567 37.404 38.000 -0.048 0.000 1.158 825 I HN 0.318 nan 8.210 nan 0.000 0.411 826 D N 0.240 120.618 120.400 -0.037 0.000 2.172 826 D HA -0.246 4.394 4.640 -0.000 0.000 0.196 826 D C 1.830 178.113 176.300 -0.029 0.000 0.999 826 D CA 2.071 56.053 54.000 -0.030 0.000 0.856 826 D CB -1.141 39.642 40.800 -0.029 0.000 0.934 826 D HN 0.192 nan 8.370 nan 0.000 0.453 827 T N -0.445 114.089 114.554 -0.032 0.000 2.721 827 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 827 T C 1.678 176.362 174.700 -0.027 0.000 1.038 827 T CA 1.968 64.050 62.100 -0.030 0.000 1.145 827 T CB -0.536 68.312 68.868 -0.034 0.000 0.858 827 T HN 0.487 nan 8.240 nan 0.000 0.459 828 A N -0.138 122.665 122.820 -0.028 0.000 2.359 828 A HA 0.447 4.766 4.320 -0.000 0.000 0.240 828 A C 1.612 179.183 177.584 -0.022 0.000 1.306 828 A CA 0.032 52.054 52.037 -0.025 0.000 0.898 828 A CB 0.046 19.030 19.000 -0.027 0.000 0.956 828 A HN 0.371 nan 8.150 nan 0.000 0.497 829 V N -1.776 118.126 119.914 -0.020 0.000 3.177 829 V HA 0.057 4.177 4.120 -0.000 0.000 0.219 829 V C 1.819 177.906 176.094 -0.012 0.000 1.344 829 V CA 0.757 63.047 62.300 -0.017 0.000 1.324 829 V CB -0.280 31.532 31.823 -0.019 0.000 1.165 829 V HN 0.275 nan 8.190 nan 0.000 0.510 830 K N 0.579 120.971 120.400 -0.014 0.000 2.520 830 K HA -0.109 4.210 4.320 -0.000 0.000 0.197 830 K C 1.926 178.520 176.600 -0.011 0.000 1.043 830 K CA 1.565 57.845 56.287 -0.011 0.000 0.944 830 K CB -0.343 32.147 32.500 -0.017 0.000 0.770 830 K HN 0.447 nan 8.250 nan 0.000 0.480 831 T N -1.522 113.025 114.554 -0.012 0.000 3.040 831 T HA 0.226 4.576 4.350 -0.000 0.000 0.252 831 T C 1.434 176.133 174.700 -0.002 0.000 1.064 831 T CA 0.707 62.800 62.100 -0.012 0.000 1.110 831 T CB 0.124 68.983 68.868 -0.016 0.000 0.921 831 T HN 0.240 nan 8.240 nan 0.000 0.480 832 A N 0.830 123.651 122.820 0.001 0.000 1.862 832 A HA 0.195 4.515 4.320 -0.000 0.000 0.211 832 A C 2.007 179.608 177.584 0.030 0.000 1.220 832 A CA 1.281 53.324 52.037 0.010 0.000 0.616 832 A CB -0.765 18.233 19.000 -0.003 0.000 0.878 832 A HN 0.515 nan 8.150 nan 0.000 0.453 833 E N -0.600 119.613 120.200 0.021 0.000 2.086 833 E HA -0.233 4.117 4.350 -0.000 0.000 0.205 833 E C 2.030 178.672 176.600 0.070 0.000 1.027 833 E CA 2.234 58.661 56.400 0.045 0.000 0.830 833 E CB -0.306 29.411 29.700 0.028 0.000 0.751 833 E HN 0.553 nan 8.360 nan 0.000 0.456 834 T N -0.448 114.126 114.554 0.035 0.000 2.565 834 T HA -0.284 4.066 4.350 -0.000 0.000 0.265 834 T C 1.664 176.383 174.700 0.032 0.000 1.082 834 T CA 1.778 63.890 62.100 0.019 0.000 1.173 834 T CB -1.079 67.784 68.868 -0.007 0.000 0.864 834 T HN 0.525 nan 8.240 nan 0.000 0.425 835 G N -0.114 108.707 108.800 0.036 0.000 2.574 835 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.220 835 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.220 835 G C 1.357 176.310 174.900 0.087 0.000 1.173 835 G CA 1.483 46.610 45.100 0.044 0.000 0.772 835 G HN 0.579 nan 8.290 nan 0.000 0.585 836 Y N 1.407 121.706 120.300 -0.002 0.000 2.128 836 Y HA -0.121 4.429 4.550 -0.000 0.000 0.284 836 Y C 2.707 178.612 175.900 0.008 0.000 1.154 836 Y CA 1.424 59.535 58.100 0.017 0.000 1.149 836 Y CB -0.314 38.166 38.460 0.034 0.000 0.976 836 Y HN 0.234 nan 8.280 nan 0.000 0.505 837 I N -0.074 120.526 120.570 0.049 0.000 2.127 837 I HA -0.386 3.783 4.170 -0.000 0.000 0.241 837 I C 2.672 178.721 176.117 -0.113 0.000 1.075 837 I CA 1.871 63.142 61.300 -0.048 0.000 1.334 837 I CB -0.618 37.388 38.000 0.010 0.000 1.040 837 I HN 0.325 nan 8.210 nan 0.000 0.405 838 Q N 1.275 121.025 119.800 -0.083 0.000 2.030 838 Q HA -0.278 4.061 4.340 -0.000 0.000 0.204 838 Q C 2.359 178.269 176.000 -0.149 0.000 0.986 838 Q CA 1.923 57.661 55.803 -0.108 0.000 0.843 838 Q CB -0.263 28.423 28.738 -0.087 0.000 0.904 838 Q HN 0.417 nan 8.270 nan 0.000 0.420 839 R N 0.007 120.417 120.500 -0.151 0.000 2.082 839 R HA -0.188 4.152 4.340 -0.000 0.000 0.234 839 R C 2.452 178.557 176.300 -0.325 0.000 1.136 839 R CA 1.850 57.830 56.100 -0.200 0.000 0.935 839 R CB -0.123 30.086 30.300 -0.152 0.000 0.842 839 R HN 0.195 nan 8.270 nan 0.000 0.430 840 R N 0.485 120.734 120.500 -0.418 0.000 2.148 840 R HA -0.200 4.140 4.340 -0.000 0.000 0.230 840 R C 2.488 178.577 176.300 -0.351 0.000 1.120 840 R CA 2.323 58.153 56.100 -0.450 0.000 0.902 840 R CB -1.031 29.050 30.300 -0.365 0.000 0.839 840 R HN 0.235 nan 8.270 nan 0.000 0.431 841 L N 0.418 121.489 121.223 -0.253 0.000 2.095 841 L HA -0.375 3.965 4.340 -0.000 0.000 0.229 841 L C 2.434 179.135 176.870 -0.281 0.000 1.097 841 L CA 1.826 56.527 54.840 -0.232 0.000 0.813 841 L CB -0.938 41.022 42.059 -0.164 0.000 0.907 841 L HN 0.160 nan 8.230 nan 0.000 0.445 842 V N -0.805 118.954 119.914 -0.258 0.000 2.216 842 V HA -0.279 3.841 4.120 -0.000 0.000 0.242 842 V C 2.445 178.362 176.094 -0.295 0.000 1.042 842 V CA 1.745 63.902 62.300 -0.239 0.000 0.991 842 V CB -0.635 31.071 31.823 -0.195 0.000 0.633 842 V HN 0.365 nan 8.190 nan 0.000 0.449 843 K N 0.278 120.477 120.400 -0.336 0.000 2.242 843 K HA -0.214 4.105 4.320 -0.000 0.000 0.206 843 K C 2.036 178.384 176.600 -0.420 0.000 1.045 843 K CA 1.706 57.790 56.287 -0.338 0.000 0.930 843 K CB -0.836 31.364 32.500 -0.500 0.000 0.726 843 K HN 0.570 nan 8.250 nan 0.000 0.462 844 A N 0.050 122.447 122.820 -0.705 0.000 2.119 844 A HA 0.027 4.347 4.320 -0.000 0.000 0.216 844 A C 1.542 178.772 177.584 -0.590 0.000 1.152 844 A CA 0.604 51.929 52.037 -1.186 0.000 0.708 844 A CB 0.028 18.186 19.000 -1.404 0.000 0.805 844 A HN 0.254 nan 8.150 nan 0.000 0.460 845 L N -1.535 119.469 121.223 -0.365 0.000 3.358 845 L HA 0.236 4.576 4.340 -0.000 0.000 0.301 845 L C 0.987 177.757 176.870 -0.166 0.000 1.276 845 L CA -0.207 54.497 54.840 -0.227 0.000 1.028 845 L CB -0.244 41.706 42.059 -0.182 0.000 1.421 845 L HN 0.232 nan 8.230 nan 0.000 0.604 846 E N 1.896 121.998 120.200 -0.164 0.000 2.012 846 E HA -0.274 4.076 4.350 -0.000 0.000 0.211 846 E C 1.155 177.697 176.600 -0.097 0.000 1.029 846 E CA 2.025 58.353 56.400 -0.119 0.000 0.867 846 E CB -0.259 29.384 29.700 -0.095 0.000 0.790 846 E HN 0.581 nan 8.360 nan 0.000 0.482 847 D N 1.064 121.420 120.400 -0.074 0.000 2.424 847 D HA -0.178 4.462 4.640 -0.000 0.000 0.221 847 D C 0.387 176.656 176.300 -0.052 0.000 0.978 847 D CA 0.801 54.773 54.000 -0.048 0.000 0.971 847 D CB -0.672 40.116 40.800 -0.020 0.000 0.869 847 D HN 0.191 nan 8.370 nan 0.000 0.506 848 I N 0.723 121.244 120.570 -0.081 0.000 2.342 848 I HA 0.282 4.452 4.170 -0.000 0.000 0.291 848 I C 0.528 176.556 176.117 -0.148 0.000 1.010 848 I CA -0.562 60.684 61.300 -0.091 0.000 1.308 848 I CB 0.853 38.805 38.000 -0.080 0.000 1.400 848 I HN 0.039 nan 8.210 nan 0.000 0.488 849 M N 5.220 124.682 119.600 -0.231 0.000 2.683 849 M HA 0.578 5.058 4.480 -0.000 0.000 0.274 849 M C -1.883 174.129 176.300 -0.480 0.000 1.272 849 M CA -0.850 54.248 55.300 -0.337 0.000 0.833 849 M CB 2.236 34.633 32.600 -0.338 0.000 1.708 849 M HN 0.092 nan 8.290 nan 0.000 0.463 850 V N 3.110 122.767 119.914 -0.427 0.000 2.406 850 V HA 0.342 4.462 4.120 -0.000 0.000 0.272 850 V C -0.084 175.758 176.094 -0.420 0.000 1.043 850 V CA -0.292 61.803 62.300 -0.342 0.000 0.915 850 V CB 0.449 32.132 31.823 -0.233 0.000 0.988 850 V HN 0.711 nan 8.190 nan 0.000 0.466 851 H N 3.807 122.835 119.070 -0.071 0.000 2.508 851 H HA 0.187 4.743 4.556 -0.000 0.000 0.358 851 H C 0.626 175.943 175.328 -0.018 0.000 1.212 851 H CA -0.283 55.719 56.048 -0.077 0.000 1.356 851 H CB 0.827 30.582 29.762 -0.011 0.000 1.525 851 H HN 0.628 nan 8.280 nan 0.000 0.578 852 Y N 0.488 120.894 120.300 0.177 0.000 2.639 852 Y HA -0.229 4.321 4.550 -0.000 0.000 0.289 852 Y C 1.598 177.547 175.900 0.083 0.000 1.155 852 Y CA 0.907 59.069 58.100 0.103 0.000 1.379 852 Y CB 0.117 38.632 38.460 0.092 0.000 0.967 852 Y HN 0.637 nan 8.280 nan 0.000 0.569 853 D N -2.215 118.334 120.400 0.248 0.000 2.350 853 D HA -0.085 4.555 4.640 -0.000 0.000 0.213 853 D C 0.267 176.658 176.300 0.153 0.000 1.031 853 D CA 0.264 54.369 54.000 0.175 0.000 0.861 853 D CB -0.252 40.640 40.800 0.154 0.000 0.926 853 D HN 0.059 nan 8.370 nan 0.000 0.520 854 N N -0.748 118.042 118.700 0.150 0.000 2.861 854 N HA -0.158 4.582 4.740 -0.000 0.000 0.247 854 N C -1.043 174.548 175.510 0.136 0.000 1.117 854 N CA 0.983 54.105 53.050 0.121 0.000 0.703 854 N CB -1.467 37.086 38.487 0.110 0.000 1.052 854 N HN 0.395 nan 8.380 nan 0.000 0.555 855 T N -0.405 114.234 114.554 0.142 0.000 2.940 855 T HA 0.498 4.848 4.350 -0.000 0.000 0.288 855 T C -0.282 174.471 174.700 0.089 0.000 1.033 855 T CA 0.029 62.214 62.100 0.141 0.000 1.033 855 T CB 1.416 70.383 68.868 0.166 0.000 1.079 855 T HN 0.045 nan 8.240 nan 0.000 0.496 856 T N 4.756 119.336 114.554 0.044 0.000 2.788 856 T HA 0.576 4.926 4.350 -0.000 0.000 0.296 856 T C -0.219 174.482 174.700 0.002 0.000 1.009 856 T CA -0.550 61.554 62.100 0.006 0.000 0.949 856 T CB 0.393 69.284 68.868 0.038 0.000 0.946 856 T HN 0.496 nan 8.240 nan 0.000 0.453 857 R N 2.218 122.752 120.500 0.057 0.000 2.885 857 R HA 0.571 4.911 4.340 -0.000 0.000 0.260 857 R C 0.031 176.394 176.300 0.105 0.000 1.107 857 R CA -1.135 55.030 56.100 0.109 0.000 0.978 857 R CB 1.584 32.017 30.300 0.221 0.000 1.227 857 R HN 0.735 nan 8.270 nan 0.000 0.473 858 N N -1.780 116.973 118.700 0.087 0.000 2.989 858 N HA 0.154 4.894 4.740 -0.000 0.000 0.338 858 N C 0.295 175.851 175.510 0.076 0.000 1.369 858 N CA -0.681 52.403 53.050 0.057 0.000 0.794 858 N CB 1.040 39.533 38.487 0.011 0.000 1.359 858 N HN 0.427 nan 8.380 nan 0.000 0.609 859 S N -0.437 115.288 115.700 0.042 0.000 2.500 859 S HA -0.025 4.445 4.470 -0.000 0.000 0.239 859 S C 1.655 176.264 174.600 0.017 0.000 0.989 859 S CA 0.520 58.739 58.200 0.032 0.000 0.951 859 S CB -0.584 62.631 63.200 0.025 0.000 0.759 859 S HN 0.455 nan 8.310 nan 0.000 0.523 860 L N 0.437 121.670 121.223 0.017 0.000 2.416 860 L HA 0.297 4.636 4.340 -0.000 0.000 0.216 860 L C 1.899 178.764 176.870 -0.008 0.000 1.098 860 L CA 0.572 55.418 54.840 0.009 0.000 0.840 860 L CB -0.562 41.508 42.059 0.018 0.000 0.981 860 L HN 0.567 nan 8.230 nan 0.000 0.462 861 G N 0.169 108.961 108.800 -0.014 0.000 2.144 861 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 861 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 861 G C -0.216 174.673 174.900 -0.018 0.000 0.988 861 G CA -0.374 44.698 45.100 -0.046 0.000 0.659 861 G HN 0.324 nan 8.290 nan 0.000 0.522 862 N N 0.839 119.535 118.700 -0.007 0.000 2.405 862 N HA 0.408 5.147 4.740 -0.000 0.000 0.260 862 N C 0.638 176.114 175.510 -0.057 0.000 1.152 862 N CA -0.083 52.955 53.050 -0.021 0.000 0.948 862 N CB 1.472 39.953 38.487 -0.009 0.000 1.111 862 N HN 0.203 nan 8.380 nan 0.000 0.485 863 V N 3.700 123.544 119.914 -0.116 0.000 2.557 863 V HA -0.036 4.084 4.120 -0.000 0.000 0.301 863 V C 1.550 177.476 176.094 -0.280 0.000 1.026 863 V CA 0.586 62.728 62.300 -0.264 0.000 1.137 863 V CB -0.040 31.444 31.823 -0.566 0.000 0.917 863 V HN 0.646 nan 8.190 nan 0.000 0.484 864 I N 2.581 123.019 120.570 -0.220 0.000 4.032 864 I HA 0.204 4.373 4.170 -0.000 0.000 0.313 864 I C 0.709 176.724 176.117 -0.170 0.000 1.272 864 I CA 0.413 61.622 61.300 -0.152 0.000 1.307 864 I CB 0.356 38.311 38.000 -0.075 0.000 1.155 864 I HN 0.598 nan 8.210 nan 0.000 0.431 865 Q N -0.570 119.110 119.800 -0.201 0.000 2.295 865 Q HA 0.328 4.668 4.340 -0.000 0.000 0.268 865 Q C -0.546 175.365 176.000 -0.148 0.000 1.010 865 Q CA -0.456 55.277 55.803 -0.117 0.000 0.856 865 Q CB 2.491 31.235 28.738 0.011 0.000 1.349 865 Q HN 0.021 nan 8.270 nan 0.000 0.412 866 F N 0.694 120.677 119.950 0.055 0.000 2.367 866 F HA 0.101 4.628 4.527 -0.000 0.000 0.298 866 F C 0.632 176.472 175.800 0.066 0.000 1.094 866 F CA 0.718 58.752 58.000 0.057 0.000 1.409 866 F CB 0.637 39.662 39.000 0.043 0.000 1.064 866 F HN 0.355 nan 8.300 nan 0.000 0.528 867 I N -1.266 119.437 120.570 0.222 0.000 2.512 867 I HA 0.106 4.276 4.170 -0.000 0.000 0.287 867 I C -0.850 175.350 176.117 0.139 0.000 1.069 867 I CA -1.311 60.087 61.300 0.163 0.000 1.056 867 I CB 0.876 38.953 38.000 0.128 0.000 1.229 867 I HN -0.148 nan 8.210 nan 0.000 0.429 868 Y N 6.901 127.221 120.300 0.034 0.000 2.887 868 Y HA 0.244 4.794 4.550 -0.000 0.000 0.350 868 Y C 1.445 177.362 175.900 0.029 0.000 1.294 868 Y CA 1.128 59.236 58.100 0.013 0.000 1.622 868 Y CB -0.049 38.408 38.460 -0.005 0.000 1.201 868 Y HN 0.917 nan 8.280 nan 0.000 0.546 869 G N 4.487 113.007 108.800 -0.468 0.000 2.168 869 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.257 869 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.257 869 G C 0.358 175.201 174.900 -0.095 0.000 0.997 869 G CA 0.520 45.379 45.100 -0.402 0.000 0.708 869 G HN 0.964 nan 8.290 nan 0.000 0.520 870 E N -1.382 118.804 120.200 -0.024 0.000 2.868 870 E HA -0.249 4.101 4.350 -0.000 0.000 0.278 870 E C 0.904 177.501 176.600 -0.006 0.000 1.009 870 E CA 1.284 57.697 56.400 0.021 0.000 0.856 870 E CB -0.773 28.952 29.700 0.042 0.000 1.428 870 E HN 0.965 nan 8.360 nan 0.000 0.423 871 D N -2.662 117.727 120.400 -0.018 0.000 2.440 871 D HA 0.025 4.665 4.640 -0.000 0.000 0.481 871 D C 0.997 177.295 176.300 -0.003 0.000 1.095 871 D CA 0.562 54.556 54.000 -0.009 0.000 1.044 871 D CB -0.668 40.110 40.800 -0.036 0.000 1.513 871 D HN 0.415 nan 8.370 nan 0.000 0.416 872 G N 1.374 110.183 108.800 0.015 0.000 2.203 872 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.263 872 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.263 872 G C -0.015 174.904 174.900 0.032 0.000 1.012 872 G CA 0.990 46.135 45.100 0.073 0.000 0.749 872 G HN 0.402 nan 8.290 nan 0.000 0.512 873 M N 0.608 120.199 119.600 -0.016 0.000 2.363 873 M HA 0.485 4.965 4.480 -0.000 0.000 0.343 873 M C -0.110 176.249 176.300 0.098 0.000 1.165 873 M CA -1.745 53.518 55.300 -0.063 0.000 1.046 873 M CB 1.488 33.999 32.600 -0.148 0.000 1.648 873 M HN 0.147 nan 8.290 nan 0.000 0.452 874 D N 2.941 123.411 120.400 0.117 0.000 2.352 874 D HA 0.377 5.017 4.640 -0.000 0.000 0.245 874 D C 1.018 177.456 176.300 0.231 0.000 1.224 874 D CA 0.384 54.534 54.000 0.250 0.000 0.879 874 D CB 0.794 41.762 40.800 0.281 0.000 1.057 874 D HN 0.716 nan 8.370 nan 0.000 0.491 875 A N 4.581 127.522 122.820 0.201 0.000 1.997 875 A HA -0.330 3.990 4.320 -0.000 0.000 0.226 875 A C 2.196 179.829 177.584 0.082 0.000 1.327 875 A CA 2.778 54.881 52.037 0.110 0.000 0.693 875 A CB -1.148 17.916 19.000 0.107 0.000 0.832 875 A HN 0.778 nan 8.150 nan 0.000 0.497 876 A N -1.653 121.205 122.820 0.064 0.000 1.978 876 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 876 A C 1.398 178.891 177.584 -0.151 0.000 1.170 876 A CA 1.272 53.263 52.037 -0.077 0.000 0.636 876 A CB -0.709 18.185 19.000 -0.177 0.000 0.810 876 A HN 0.745 nan 8.150 nan 0.000 0.448 877 H N -0.463 118.624 119.070 0.030 0.000 2.553 877 H HA 0.499 5.055 4.556 -0.000 0.000 0.222 877 H C -0.839 174.491 175.328 0.002 0.000 1.779 877 H CA 0.076 56.129 56.048 0.009 0.000 1.241 877 H CB -0.483 29.250 29.762 -0.048 0.000 1.647 877 H HN 0.351 nan 8.280 nan 0.000 0.523 878 I N 0.834 121.478 120.570 0.123 0.000 2.827 878 I HA 0.270 4.440 4.170 -0.000 0.000 0.298 878 I C -0.604 175.613 176.117 0.166 0.000 1.235 878 I CA -0.771 60.598 61.300 0.115 0.000 1.021 878 I CB 2.999 41.061 38.000 0.103 0.000 1.259 878 I HN 0.174 nan 8.210 nan 0.000 0.427 879 E N 3.217 123.502 120.200 0.142 0.000 2.390 879 E HA 0.378 4.728 4.350 -0.000 0.000 0.277 879 E C -1.469 175.205 176.600 0.123 0.000 0.939 879 E CA -1.187 55.308 56.400 0.157 0.000 0.769 879 E CB 2.717 32.458 29.700 0.067 0.000 1.251 879 E HN 0.365 nan 8.360 nan 0.000 0.450 880 K N 2.421 122.885 120.400 0.107 0.000 2.336 880 K HA 0.093 4.412 4.320 -0.000 0.000 0.290 880 K C -0.145 176.471 176.600 0.026 0.000 1.067 880 K CA 0.213 56.527 56.287 0.046 0.000 0.962 880 K CB 0.393 32.888 32.500 -0.008 0.000 1.008 880 K HN 0.319 nan 8.250 nan 0.000 0.467 881 Q N 0.579 120.406 119.800 0.044 0.000 2.286 881 Q HA 0.338 4.678 4.340 -0.000 0.000 0.250 881 Q C -0.317 175.690 176.000 0.012 0.000 1.021 881 Q CA -0.865 54.964 55.803 0.043 0.000 0.930 881 Q CB 1.850 30.642 28.738 0.090 0.000 1.266 881 Q HN 0.590 nan 8.270 nan 0.000 0.491 882 S N -0.091 115.620 115.700 0.019 0.000 2.605 882 S HA 0.444 4.914 4.470 -0.000 0.000 0.308 882 S C -0.444 174.180 174.600 0.040 0.000 1.113 882 S CA -0.806 57.394 58.200 -0.000 0.000 1.049 882 S CB 0.397 63.585 63.200 -0.020 0.000 1.001 882 S HN 0.496 nan 8.310 nan 0.000 0.480 883 L N 3.950 125.199 121.223 0.044 0.000 2.415 883 L HA 0.194 4.533 4.340 -0.000 0.000 0.269 883 L C 0.891 177.804 176.870 0.070 0.000 1.244 883 L CA -0.448 54.430 54.840 0.064 0.000 1.113 883 L CB -0.345 41.748 42.059 0.057 0.000 1.352 883 L HN 0.781 nan 8.230 nan 0.000 0.433 884 D N 0.783 121.243 120.400 0.101 0.000 2.149 884 D HA -0.195 4.445 4.640 -0.000 0.000 0.194 884 D C 1.700 178.089 176.300 0.147 0.000 1.001 884 D CA 1.738 55.821 54.000 0.139 0.000 0.849 884 D CB 0.152 41.079 40.800 0.211 0.000 0.939 884 D HN 0.496 nan 8.370 nan 0.000 0.449 885 T N 1.111 115.734 114.554 0.114 0.000 2.918 885 T HA -0.124 4.226 4.350 -0.000 0.000 0.271 885 T C 1.991 176.725 174.700 0.057 0.000 1.104 885 T CA 0.327 62.462 62.100 0.059 0.000 1.114 885 T CB 0.053 68.930 68.868 0.015 0.000 0.855 885 T HN 0.221 nan 8.240 nan 0.000 0.518 886 I N 0.183 120.793 120.570 0.066 0.000 2.201 886 I HA 0.103 4.273 4.170 -0.000 0.000 0.233 886 I C 2.091 178.261 176.117 0.088 0.000 1.067 886 I CA 0.555 61.892 61.300 0.063 0.000 1.354 886 I CB -0.842 37.188 38.000 0.049 0.000 1.108 886 I HN 0.281 nan 8.210 nan 0.000 0.411 887 G N -0.337 108.501 108.800 0.062 0.000 2.466 887 G HA2 0.356 4.316 3.960 -0.000 0.000 0.279 887 G HA3 0.356 4.316 3.960 -0.000 0.000 0.279 887 G C -0.015 174.968 174.900 0.138 0.000 1.410 887 G CA 0.424 45.582 45.100 0.096 0.000 1.065 887 G HN 0.769 nan 8.290 nan 0.000 0.547 888 G N -1.854 107.031 108.800 0.141 0.000 2.999 888 G HA2 0.277 4.236 3.960 -0.000 0.000 0.686 888 G HA3 0.277 4.236 3.960 -0.000 0.000 0.686 888 G C 0.130 175.108 174.900 0.131 0.000 1.057 888 G CA 0.234 45.418 45.100 0.140 0.000 0.784 888 G HN 1.932 nan 8.290 nan 0.000 0.575 889 S N 1.303 117.070 115.700 0.111 0.000 2.558 889 S HA 0.221 4.691 4.470 -0.000 0.000 0.288 889 S C 1.156 175.816 174.600 0.100 0.000 1.318 889 S CA 0.430 58.680 58.200 0.084 0.000 1.056 889 S CB 1.606 64.850 63.200 0.073 0.000 0.853 889 S HN 0.633 nan 8.310 nan 0.000 0.505 890 D N 2.137 122.569 120.400 0.053 0.000 2.228 890 D HA -0.162 4.478 4.640 -0.000 0.000 0.203 890 D C 2.020 178.407 176.300 0.145 0.000 0.988 890 D CA 1.604 55.637 54.000 0.056 0.000 0.864 890 D CB -0.315 40.489 40.800 0.008 0.000 0.928 890 D HN 0.755 nan 8.370 nan 0.000 0.469 891 A N 1.137 124.027 122.820 0.116 0.000 1.841 891 A HA -0.044 4.276 4.320 -0.000 0.000 0.214 891 A C 2.388 180.058 177.584 0.142 0.000 1.195 891 A CA 2.184 54.292 52.037 0.117 0.000 0.611 891 A CB -0.858 18.189 19.000 0.078 0.000 0.835 891 A HN 0.236 nan 8.150 nan 0.000 0.443 892 A N -1.502 121.400 122.820 0.136 0.000 2.024 892 A HA -0.087 4.233 4.320 -0.000 0.000 0.220 892 A C 2.014 179.713 177.584 0.190 0.000 1.164 892 A CA 1.618 53.733 52.037 0.130 0.000 0.643 892 A CB -0.760 18.308 19.000 0.113 0.000 0.806 892 A HN 0.710 nan 8.150 nan 0.000 0.451 893 F N 0.545 120.550 119.950 0.091 0.000 2.171 893 F HA -0.148 4.379 4.527 -0.000 0.000 0.300 893 F C 2.124 178.041 175.800 0.195 0.000 1.090 893 F CA 2.137 60.200 58.000 0.106 0.000 1.293 893 F CB -0.095 38.904 39.000 -0.003 0.000 1.013 893 F HN 0.400 nan 8.300 nan 0.000 0.486 894 E N 0.333 120.711 120.200 0.298 0.000 2.016 894 E HA -0.259 4.091 4.350 -0.000 0.000 0.190 894 E C 2.143 178.780 176.600 0.062 0.000 0.985 894 E CA 0.984 57.529 56.400 0.242 0.000 0.802 894 E CB -0.264 29.567 29.700 0.218 0.000 0.762 894 E HN 0.299 nan 8.360 nan 0.000 0.448 895 K N 0.447 120.859 120.400 0.021 0.000 2.444 895 K HA -0.218 4.102 4.320 -0.000 0.000 0.200 895 K C 1.978 178.537 176.600 -0.069 0.000 1.045 895 K CA 1.105 57.360 56.287 -0.053 0.000 0.934 895 K CB 0.079 32.562 32.500 -0.027 0.000 0.756 895 K HN -0.033 nan 8.250 nan 0.000 0.477 896 R N -1.447 119.028 120.500 -0.042 0.000 2.144 896 R HA 0.032 4.372 4.340 -0.000 0.000 0.195 896 R C 1.134 177.286 176.300 -0.247 0.000 1.077 896 R CA 0.296 56.310 56.100 -0.143 0.000 1.120 896 R CB 0.153 30.392 30.300 -0.102 0.000 1.060 896 R HN 0.147 nan 8.270 nan 0.000 0.520 897 Y N 0.267 120.392 120.300 -0.292 0.000 2.478 897 Y HA 0.271 4.821 4.550 -0.000 0.000 0.261 897 Y C 0.475 176.384 175.900 0.016 0.000 1.127 897 Y CA -0.212 57.738 58.100 -0.250 0.000 1.288 897 Y CB 0.135 38.250 38.460 -0.575 0.000 1.084 897 Y HN -0.121 nan 8.280 nan 0.000 0.530 898 R N 1.159 121.804 120.500 0.241 0.000 2.340 898 R HA 0.477 4.817 4.340 -0.000 0.000 0.300 898 R C -1.510 174.770 176.300 -0.033 0.000 1.069 898 R CA -0.096 56.074 56.100 0.116 0.000 0.984 898 R CB 0.364 30.614 30.300 -0.083 0.000 1.003 898 R HN -0.088 nan 8.270 nan 0.000 0.459 899 V N 4.840 124.729 119.914 -0.041 0.000 2.623 899 V HA 0.320 4.440 4.120 -0.000 0.000 0.304 899 V C -1.169 174.900 176.094 -0.041 0.000 1.054 899 V CA -0.798 61.480 62.300 -0.037 0.000 0.882 899 V CB 1.971 33.782 31.823 -0.019 0.000 1.002 899 V HN 0.796 nan 8.190 nan 0.000 0.424 900 D N 4.135 124.529 120.400 -0.010 0.000 2.505 900 D HA 0.391 5.031 4.640 -0.000 0.000 0.250 900 D C 0.428 176.732 176.300 0.005 0.000 1.164 900 D CA -0.356 53.644 54.000 -0.000 0.000 0.870 900 D CB 2.099 42.924 40.800 0.042 0.000 1.160 900 D HN 0.419 nan 8.370 nan 0.000 0.549 901 L N 3.133 124.351 121.223 -0.009 0.000 2.599 901 L HA 0.142 4.482 4.340 -0.000 0.000 0.230 901 L C 0.869 177.732 176.870 -0.012 0.000 1.141 901 L CA 0.478 55.312 54.840 -0.010 0.000 0.877 901 L CB 0.047 42.097 42.059 -0.014 0.000 1.009 901 L HN 0.313 nan 8.230 nan 0.000 0.447 902 L N -0.121 121.092 121.223 -0.016 0.000 2.935 902 L HA 0.380 4.720 4.340 -0.000 0.000 0.243 902 L C -0.462 176.387 176.870 -0.034 0.000 1.313 902 L CA -0.064 54.762 54.840 -0.024 0.000 0.969 902 L CB -0.297 41.746 42.059 -0.027 0.000 1.320 902 L HN 0.169 nan 8.230 nan 0.000 0.511 903 N N -0.968 117.717 118.700 -0.026 0.000 2.929 903 N HA 0.047 4.787 4.740 -0.000 0.000 0.245 903 N C 0.444 175.945 175.510 -0.016 0.000 1.081 903 N CA -0.137 52.886 53.050 -0.044 0.000 1.048 903 N CB 1.448 39.885 38.487 -0.083 0.000 1.629 903 N HN 0.014 nan 8.380 nan 0.000 0.598 904 T N 0.718 115.257 114.554 -0.024 0.000 2.849 904 T HA -0.110 4.240 4.350 -0.000 0.000 0.270 904 T C 0.434 175.146 174.700 0.021 0.000 1.066 904 T CA 1.215 63.312 62.100 -0.006 0.000 1.130 904 T CB -0.095 68.766 68.868 -0.013 0.000 0.864 904 T HN 0.555 nan 8.240 nan 0.000 0.481 905 D N -0.445 119.977 120.400 0.038 0.000 2.407 905 D HA 0.058 4.698 4.640 -0.000 0.000 0.208 905 D C 0.627 177.141 176.300 0.356 0.000 1.083 905 D CA 0.368 54.450 54.000 0.137 0.000 0.844 905 D CB 0.244 41.114 40.800 0.117 0.000 0.967 905 D HN 0.393 nan 8.370 nan 0.000 0.506 906 H N -0.546 118.504 119.070 -0.033 0.000 2.785 906 H HA 0.283 4.839 4.556 -0.000 0.000 0.268 906 H C 0.090 175.391 175.328 -0.045 0.000 1.153 906 H CA -0.172 55.851 56.048 -0.041 0.000 1.111 906 H CB 0.562 30.294 29.762 -0.050 0.000 1.633 906 H HN -0.159 nan 8.280 nan 0.000 0.576 907 T N 0.661 115.254 114.554 0.066 0.000 2.936 907 T HA 0.426 4.776 4.350 -0.000 0.000 0.282 907 T C 0.293 174.988 174.700 -0.009 0.000 1.003 907 T CA -0.768 61.341 62.100 0.015 0.000 1.005 907 T CB 1.014 69.886 68.868 0.006 0.000 1.097 907 T HN 0.082 nan 8.240 nan 0.000 0.532 908 L N 2.578 123.787 121.223 -0.024 0.000 2.369 908 L HA 0.221 4.561 4.340 -0.000 0.000 0.279 908 L C 0.862 177.715 176.870 -0.028 0.000 1.108 908 L CA -0.523 54.295 54.840 -0.037 0.000 0.852 908 L CB 0.050 42.081 42.059 -0.046 0.000 1.169 908 L HN 0.606 nan 8.230 nan 0.000 0.452 909 D N 7.139 127.523 120.400 -0.027 0.000 2.487 909 D HA -0.006 4.634 4.640 -0.000 0.000 0.243 909 D C -1.308 174.979 176.300 -0.022 0.000 1.154 909 D CA -1.212 52.776 54.000 -0.020 0.000 0.876 909 D CB 1.504 42.293 40.800 -0.018 0.000 1.161 909 D HN 0.356 nan 8.370 nan 0.000 0.478 910 P HA -0.165 nan 4.420 nan 0.000 0.231 910 P C 1.062 178.351 177.300 -0.018 0.000 1.154 910 P CA 0.693 63.781 63.100 -0.019 0.000 0.762 910 P CB 0.006 31.697 31.700 -0.016 0.000 0.790 911 S N -1.421 114.269 115.700 -0.016 0.000 2.515 911 S HA -0.020 4.450 4.470 -0.000 0.000 0.231 911 S C 1.809 176.400 174.600 -0.014 0.000 0.987 911 S CA 0.363 58.556 58.200 -0.012 0.000 0.936 911 S CB -1.025 62.170 63.200 -0.009 0.000 0.766 911 S HN 0.143 nan 8.310 nan 0.000 0.528 912 L N -0.477 120.732 121.223 -0.023 0.000 2.276 912 L HA 0.438 4.778 4.340 -0.000 0.000 0.194 912 L C 0.936 177.785 176.870 -0.035 0.000 1.099 912 L CA -0.170 54.653 54.840 -0.029 0.000 0.800 912 L CB -0.668 41.366 42.059 -0.041 0.000 0.994 912 L HN 0.298 nan 8.230 nan 0.000 0.475 913 L N 0.501 121.699 121.223 -0.041 0.000 2.399 913 L HA 0.120 4.460 4.340 -0.000 0.000 0.266 913 L C 1.144 177.993 176.870 -0.035 0.000 1.114 913 L CA 0.403 55.216 54.840 -0.046 0.000 0.804 913 L CB 0.980 43.008 42.059 -0.052 0.000 1.146 913 L HN 0.160 nan 8.230 nan 0.000 0.451 914 E N 0.619 120.797 120.200 -0.036 0.000 2.047 914 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 914 E C 0.873 177.458 176.600 -0.025 0.000 0.987 914 E CA 1.211 57.594 56.400 -0.028 0.000 0.799 914 E CB 0.110 29.794 29.700 -0.028 0.000 0.752 914 E HN 0.813 nan 8.360 nan 0.000 0.449 915 S N -0.395 115.287 115.700 -0.030 0.000 2.767 915 S HA 0.223 4.693 4.470 -0.000 0.000 0.253 915 S C 1.274 175.858 174.600 -0.026 0.000 1.082 915 S CA -0.142 58.042 58.200 -0.026 0.000 1.148 915 S CB 0.535 63.718 63.200 -0.028 0.000 0.808 915 S HN 0.344 nan 8.310 nan 0.000 0.466 916 G N 3.133 111.917 108.800 -0.025 0.000 2.511 916 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.216 916 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.216 916 G C 1.711 176.599 174.900 -0.020 0.000 1.218 916 G CA 1.120 46.205 45.100 -0.024 0.000 0.788 916 G HN 0.787 nan 8.290 nan 0.000 0.560 917 S N 1.371 117.061 115.700 -0.017 0.000 2.402 917 S HA -0.121 4.349 4.470 -0.000 0.000 0.229 917 S C 2.011 176.602 174.600 -0.014 0.000 1.021 917 S CA 1.689 59.881 58.200 -0.014 0.000 0.974 917 S CB -0.384 62.809 63.200 -0.012 0.000 0.800 917 S HN 0.756 nan 8.310 nan 0.000 0.484 918 E N 0.757 120.948 120.200 -0.015 0.000 2.511 918 E HA 0.137 4.487 4.350 -0.000 0.000 0.196 918 E C 1.562 178.152 176.600 -0.016 0.000 1.066 918 E CA 0.359 56.750 56.400 -0.014 0.000 0.871 918 E CB -0.314 29.378 29.700 -0.014 0.000 0.863 918 E HN 0.626 nan 8.360 nan 0.000 0.520 919 I N 0.457 121.017 120.570 -0.017 0.000 2.685 919 I HA 0.027 4.197 4.170 -0.000 0.000 0.251 919 I C 1.226 177.333 176.117 -0.016 0.000 1.102 919 I CA -0.339 60.950 61.300 -0.018 0.000 1.442 919 I CB 0.166 38.153 38.000 -0.023 0.000 1.194 919 I HN 0.187 nan 8.210 nan 0.000 0.448 920 L N 2.499 123.712 121.223 -0.016 0.000 2.884 920 L HA -0.231 4.108 4.340 -0.000 0.000 0.294 920 L C 1.131 177.993 176.870 -0.014 0.000 1.164 920 L CA 1.253 56.085 54.840 -0.014 0.000 0.918 920 L CB -0.096 41.956 42.059 -0.013 0.000 1.281 920 L HN 0.671 nan 8.230 nan 0.000 0.478 921 G N 2.578 111.369 108.800 -0.014 0.000 2.420 921 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.221 921 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.221 921 G C 0.296 175.187 174.900 -0.014 0.000 1.117 921 G CA 0.144 45.235 45.100 -0.015 0.000 0.657 921 G HN 0.775 nan 8.290 nan 0.000 0.512 922 D N 1.053 121.445 120.400 -0.013 0.000 2.730 922 D HA 0.049 4.689 4.640 -0.000 0.000 0.225 922 D C 1.609 177.902 176.300 -0.012 0.000 1.107 922 D CA 0.673 54.666 54.000 -0.012 0.000 0.837 922 D CB 0.337 41.129 40.800 -0.013 0.000 1.171 922 D HN 0.304 nan 8.370 nan 0.000 0.498 923 L N 3.790 125.007 121.223 -0.010 0.000 2.416 923 L HA 0.006 4.346 4.340 -0.000 0.000 0.216 923 L C 2.335 179.201 176.870 -0.007 0.000 1.098 923 L CA 0.227 55.061 54.840 -0.009 0.000 0.840 923 L CB 0.065 42.119 42.059 -0.009 0.000 0.981 923 L HN 0.337 nan 8.230 nan 0.000 0.462 924 K N 0.016 120.412 120.400 -0.007 0.000 2.228 924 K HA -0.019 4.301 4.320 -0.000 0.000 0.202 924 K C 1.927 178.524 176.600 -0.005 0.000 1.051 924 K CA 0.804 57.087 56.287 -0.005 0.000 0.960 924 K CB 0.214 32.710 32.500 -0.006 0.000 0.743 924 K HN 0.275 nan 8.250 nan 0.000 0.458 925 L N 0.510 121.728 121.223 -0.007 0.000 2.102 925 L HA -0.082 4.258 4.340 -0.000 0.000 0.202 925 L C 2.235 179.103 176.870 -0.004 0.000 1.076 925 L CA 0.670 55.505 54.840 -0.008 0.000 0.761 925 L CB -0.434 41.617 42.059 -0.013 0.000 0.921 925 L HN 0.135 nan 8.230 nan 0.000 0.444 926 Q N 0.153 119.949 119.800 -0.006 0.000 2.522 926 Q HA -0.145 4.195 4.340 -0.000 0.000 0.216 926 Q C 2.027 178.028 176.000 0.002 0.000 0.986 926 Q CA 0.941 56.741 55.803 -0.005 0.000 0.901 926 Q CB -0.273 28.459 28.738 -0.010 0.000 0.954 926 Q HN 0.371 nan 8.270 nan 0.000 0.502 927 V N -0.395 119.521 119.914 0.004 0.000 2.500 927 V HA -0.155 3.965 4.120 -0.000 0.000 0.243 927 V C 2.223 178.327 176.094 0.017 0.000 1.039 927 V CA 0.802 63.108 62.300 0.009 0.000 1.053 927 V CB -0.270 31.557 31.823 0.006 0.000 0.695 927 V HN 0.260 nan 8.190 nan 0.000 0.463 928 L N -0.732 120.499 121.223 0.013 0.000 2.005 928 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 928 L C 2.492 179.380 176.870 0.030 0.000 1.072 928 L CA 1.175 56.025 54.840 0.018 0.000 0.744 928 L CB -0.650 41.414 42.059 0.009 0.000 0.895 928 L HN 0.270 nan 8.230 nan 0.000 0.433 929 L N 0.028 121.265 121.223 0.023 0.000 2.137 929 L HA -0.284 4.056 4.340 -0.000 0.000 0.213 929 L C 2.132 179.040 176.870 0.063 0.000 1.085 929 L CA 1.900 56.761 54.840 0.034 0.000 0.760 929 L CB -1.028 41.038 42.059 0.012 0.000 0.893 929 L HN 0.385 nan 8.230 nan 0.000 0.434 930 D N -1.055 119.376 120.400 0.052 0.000 2.183 930 D HA -0.110 4.530 4.640 -0.000 0.000 0.205 930 D C 2.021 178.385 176.300 0.108 0.000 0.962 930 D CA 0.441 54.485 54.000 0.074 0.000 0.849 930 D CB 0.232 41.055 40.800 0.038 0.000 0.978 930 D HN 0.359 nan 8.370 nan 0.000 0.488 931 E N 0.983 121.226 120.200 0.071 0.000 2.049 931 E HA -0.241 4.109 4.350 -0.000 0.000 0.198 931 E C 1.905 178.554 176.600 0.081 0.000 1.007 931 E CA 1.161 57.599 56.400 0.063 0.000 0.809 931 E CB 0.020 29.743 29.700 0.038 0.000 0.749 931 E HN 0.353 nan 8.360 nan 0.000 0.450 932 E N -0.016 120.236 120.200 0.087 0.000 2.035 932 E HA -0.289 4.061 4.350 -0.000 0.000 0.204 932 E C 2.071 178.750 176.600 0.132 0.000 1.025 932 E CA 1.621 58.077 56.400 0.093 0.000 0.835 932 E CB -0.417 29.340 29.700 0.096 0.000 0.764 932 E HN 0.313 nan 8.360 nan 0.000 0.457 933 Y N 1.136 121.468 120.300 0.053 0.000 2.151 933 Y HA -0.237 4.313 4.550 -0.000 0.000 0.284 933 Y C 2.265 178.220 175.900 0.091 0.000 1.166 933 Y CA 2.270 60.419 58.100 0.081 0.000 1.163 933 Y CB 0.005 38.511 38.460 0.076 0.000 0.974 933 Y HN 0.019 nan 8.280 nan 0.000 0.511 934 K N -0.618 119.921 120.400 0.233 0.000 2.152 934 K HA -0.275 4.045 4.320 -0.000 0.000 0.206 934 K C 2.082 178.709 176.600 0.044 0.000 1.048 934 K CA 1.564 57.934 56.287 0.137 0.000 0.933 934 K CB -0.128 32.436 32.500 0.106 0.000 0.721 934 K HN 0.311 nan 8.250 nan 0.000 0.447 935 Q N 1.150 120.968 119.800 0.030 0.000 1.984 935 Q HA -0.041 4.299 4.340 -0.000 0.000 0.196 935 Q C 1.868 177.848 176.000 -0.033 0.000 0.975 935 Q CA 1.351 57.150 55.803 -0.006 0.000 0.827 935 Q CB -0.315 28.421 28.738 -0.003 0.000 0.894 935 Q HN 0.212 nan 8.270 nan 0.000 0.438 936 L N -0.155 121.044 121.223 -0.041 0.000 2.103 936 L HA -0.248 4.092 4.340 -0.000 0.000 0.215 936 L C 2.334 179.177 176.870 -0.045 0.000 1.080 936 L CA 1.233 56.043 54.840 -0.050 0.000 0.764 936 L CB -0.861 41.133 42.059 -0.109 0.000 0.890 936 L HN 0.155 nan 8.230 nan 0.000 0.435 937 V N -0.138 119.713 119.914 -0.106 0.000 2.379 937 V HA -0.254 3.866 4.120 -0.000 0.000 0.245 937 V C 2.652 178.677 176.094 -0.115 0.000 1.044 937 V CA 1.809 64.002 62.300 -0.178 0.000 1.036 937 V CB -0.377 31.365 31.823 -0.135 0.000 0.664 937 V HN 0.443 nan 8.190 nan 0.000 0.453 938 K N -0.040 120.328 120.400 -0.053 0.000 2.044 938 K HA -0.279 4.041 4.320 -0.000 0.000 0.210 938 K C 1.774 178.375 176.600 0.001 0.000 1.049 938 K CA 2.321 58.595 56.287 -0.020 0.000 0.927 938 K CB -0.294 32.197 32.500 -0.014 0.000 0.713 938 K HN 0.450 nan 8.250 nan 0.000 0.443 939 D N 0.122 120.508 120.400 -0.024 0.000 2.108 939 D HA -0.206 4.434 4.640 -0.000 0.000 0.190 939 D C 1.928 178.258 176.300 0.050 0.000 0.995 939 D CA 1.541 55.544 54.000 0.005 0.000 0.834 939 D CB -0.243 40.539 40.800 -0.030 0.000 0.967 939 D HN 0.165 nan 8.370 nan 0.000 0.446 940 R N 0.656 121.121 120.500 -0.058 0.000 2.206 940 R HA -0.238 4.102 4.340 -0.000 0.000 0.240 940 R C 1.989 178.269 176.300 -0.033 0.000 1.117 940 R CA 2.083 58.115 56.100 -0.113 0.000 0.915 940 R CB -0.064 30.016 30.300 -0.365 0.000 0.888 940 R HN 0.016 nan 8.270 nan 0.000 0.432 941 K N -0.245 120.123 120.400 -0.054 0.000 2.074 941 K HA -0.211 4.109 4.320 -0.000 0.000 0.209 941 K C 2.025 178.634 176.600 0.016 0.000 1.048 941 K CA 1.814 58.083 56.287 -0.029 0.000 0.926 941 K CB -0.844 31.635 32.500 -0.035 0.000 0.713 941 K HN 0.299 nan 8.250 nan 0.000 0.444 942 F N 2.019 121.932 119.950 -0.062 0.000 2.069 942 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 942 F C 2.045 177.818 175.800 -0.045 0.000 1.113 942 F CA 1.416 59.382 58.000 -0.057 0.000 1.214 942 F CB -0.274 38.694 39.000 -0.054 0.000 0.978 942 F HN -0.116 nan 8.300 nan 0.000 0.474 943 L N 0.099 121.461 121.223 0.231 0.000 1.989 943 L HA -0.243 4.097 4.340 -0.000 0.000 0.211 943 L C 2.515 179.417 176.870 0.054 0.000 1.071 943 L CA 1.697 56.657 54.840 0.199 0.000 0.749 943 L CB -0.981 41.242 42.059 0.273 0.000 0.890 943 L HN 0.067 nan 8.230 nan 0.000 0.431 944 R N -0.021 120.513 120.500 0.057 0.000 2.355 944 R HA -0.176 4.164 4.340 -0.000 0.000 0.219 944 R C 1.825 178.096 176.300 -0.049 0.000 1.107 944 R CA 0.882 57.020 56.100 0.064 0.000 1.021 944 R CB -0.146 30.197 30.300 0.072 0.000 0.852 944 R HN 0.503 nan 8.270 nan 0.000 0.475 945 E N -0.681 119.404 120.200 -0.192 0.000 2.364 945 E HA -0.011 4.339 4.350 -0.000 0.000 0.196 945 E C 1.410 177.776 176.600 -0.391 0.000 0.990 945 E CA 0.105 56.337 56.400 -0.280 0.000 0.886 945 E CB 0.631 30.118 29.700 -0.354 0.000 0.866 945 E HN 0.050 nan 8.360 nan 0.000 0.493 946 V N 0.017 119.625 119.914 -0.510 0.000 2.490 946 V HA 0.009 4.129 4.120 -0.000 0.000 0.238 946 V C 0.309 175.988 176.094 -0.692 0.000 1.056 946 V CA 0.863 62.730 62.300 -0.722 0.000 1.075 946 V CB 0.054 31.267 31.823 -1.016 0.000 0.746 946 V HN 0.101 nan 8.190 nan 0.000 0.479 947 F N 0.334 120.141 119.950 -0.239 0.000 2.359 947 F HA 0.366 4.893 4.527 -0.000 0.000 0.355 947 F C 1.081 176.857 175.800 -0.041 0.000 1.132 947 F CA -0.278 57.636 58.000 -0.145 0.000 1.246 947 F CB 0.314 39.263 39.000 -0.085 0.000 1.569 947 F HN -0.184 nan 8.300 nan 0.000 0.561 948 V N 0.460 120.413 119.914 0.065 0.000 2.594 948 V HA -0.247 3.873 4.120 -0.000 0.000 0.253 948 V C 1.847 178.031 176.094 0.150 0.000 1.069 948 V CA 1.589 63.942 62.300 0.089 0.000 1.082 948 V CB -0.324 31.507 31.823 0.013 0.000 0.680 948 V HN 0.628 nan 8.190 nan 0.000 0.469 949 D N 0.302 120.780 120.400 0.130 0.000 2.263 949 D HA -0.058 4.581 4.640 -0.000 0.000 0.208 949 D C 2.009 178.273 176.300 -0.059 0.000 0.971 949 D CA 1.536 55.589 54.000 0.088 0.000 0.867 949 D CB 0.159 41.027 40.800 0.112 0.000 0.929 949 D HN 0.594 nan 8.370 nan 0.000 0.492 950 G N 1.121 109.824 108.800 -0.162 0.000 2.241 950 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.244 950 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.244 950 G C 0.370 175.059 174.900 -0.351 0.000 0.998 950 G CA 0.327 44.993 45.100 -0.725 0.000 0.621 950 G HN 0.352 nan 8.290 nan 0.000 0.519 951 E N 1.064 121.194 120.200 -0.117 0.000 2.585 951 E HA 0.522 4.872 4.350 -0.000 0.000 0.252 951 E C 1.093 177.664 176.600 -0.048 0.000 0.981 951 E CA 1.037 57.365 56.400 -0.120 0.000 0.943 951 E CB 0.599 30.236 29.700 -0.106 0.000 0.923 951 E HN 0.882 nan 8.360 nan 0.000 0.486 952 A N 5.129 127.846 122.820 -0.172 0.000 2.431 952 A HA 0.151 4.471 4.320 -0.000 0.000 0.239 952 A C -0.136 177.337 177.584 -0.184 0.000 1.230 952 A CA -0.420 51.556 52.037 -0.101 0.000 0.928 952 A CB 0.094 19.053 19.000 -0.069 0.000 1.006 952 A HN 0.533 nan 8.150 nan 0.000 0.520 953 N N 0.156 118.554 118.700 -0.504 0.000 2.422 953 N HA 0.440 5.180 4.740 -0.000 0.000 0.266 953 N C -1.544 173.411 175.510 -0.925 0.000 1.007 953 N CA 0.220 52.975 53.050 -0.492 0.000 0.941 953 N CB 0.784 39.035 38.487 -0.393 0.000 1.115 953 N HN 0.442 nan 8.380 nan 0.000 0.492 954 W N 1.604 122.804 121.300 -0.167 0.000 3.083 954 W HA 0.381 5.041 4.660 -0.000 0.000 0.333 954 W C -2.168 174.335 176.519 -0.026 0.000 1.217 954 W CA -1.633 55.633 57.345 -0.131 0.000 1.170 954 W CB 1.200 30.528 29.460 -0.221 0.000 1.437 954 W HN 0.278 nan 8.180 nan 0.000 0.557 955 P HA 0.277 nan 4.420 nan 0.000 0.276 955 P C -0.993 176.424 177.300 0.197 0.000 1.253 955 P CA 0.470 63.699 63.100 0.214 0.000 0.766 955 P CB 1.070 32.923 31.700 0.254 0.000 0.845 956 L N 5.911 127.229 121.223 0.158 0.000 2.455 956 L HA 0.454 4.794 4.340 -0.000 0.000 0.264 956 L C -2.294 174.616 176.870 0.067 0.000 0.968 956 L CA -2.644 52.279 54.840 0.140 0.000 0.827 956 L CB 3.280 45.477 42.059 0.230 0.000 1.317 956 L HN 0.195 nan 8.230 nan 0.000 0.407 957 P HA 0.039 nan 4.420 nan 0.000 0.270 957 P C -0.475 176.751 177.300 -0.123 0.000 1.227 957 P CA 0.155 63.153 63.100 -0.170 0.000 0.788 957 P CB 0.984 32.422 31.700 -0.438 0.000 0.926 958 V N -0.431 119.441 119.914 -0.070 0.000 3.677 958 V HA -0.210 3.910 4.120 -0.000 0.000 0.479 958 V C 0.488 176.645 176.094 0.106 0.000 0.682 958 V CA 0.282 62.605 62.300 0.038 0.000 1.977 958 V CB -1.548 30.359 31.823 0.140 0.000 2.402 958 V HN 0.902 nan 8.190 nan 0.000 0.501 959 N N 5.143 123.872 118.700 0.048 0.000 2.402 959 N HA 0.305 5.045 4.740 -0.000 0.000 0.252 959 N C 0.833 176.362 175.510 0.031 0.000 1.118 959 N CA -0.015 53.056 53.050 0.035 0.000 0.945 959 N CB 0.962 39.437 38.487 -0.019 0.000 1.147 959 N HN 0.685 nan 8.380 nan 0.000 0.495 960 I N 3.026 123.628 120.570 0.054 0.000 2.277 960 I HA -0.145 4.025 4.170 -0.000 0.000 0.243 960 I C 2.468 178.560 176.117 -0.042 0.000 1.094 960 I CA 0.244 61.551 61.300 0.011 0.000 1.393 960 I CB -0.170 37.848 38.000 0.030 0.000 1.078 960 I HN 0.580 nan 8.210 nan 0.000 0.417 961 R N 1.637 122.122 120.500 -0.024 0.000 2.179 961 R HA -0.280 4.060 4.340 -0.000 0.000 0.238 961 R C 2.452 178.707 176.300 -0.074 0.000 1.119 961 R CA 2.291 58.363 56.100 -0.045 0.000 0.915 961 R CB -0.368 29.923 30.300 -0.015 0.000 0.870 961 R HN 0.256 nan 8.270 nan 0.000 0.432 962 R N 0.120 120.589 120.500 -0.052 0.000 2.083 962 R HA -0.149 4.191 4.340 -0.000 0.000 0.237 962 R C 2.528 178.797 176.300 -0.051 0.000 1.137 962 R CA 1.771 57.838 56.100 -0.056 0.000 0.951 962 R CB -0.661 29.620 30.300 -0.032 0.000 0.851 962 R HN 0.438 nan 8.270 nan 0.000 0.434 963 I N 0.844 121.383 120.570 -0.052 0.000 2.300 963 I HA -0.333 3.837 4.170 -0.000 0.000 0.252 963 I C 1.987 178.093 176.117 -0.019 0.000 1.119 963 I CA 1.439 62.703 61.300 -0.060 0.000 1.384 963 I CB 0.071 38.008 38.000 -0.105 0.000 1.062 963 I HN 0.212 nan 8.210 nan 0.000 0.426 964 I N -0.379 120.139 120.570 -0.086 0.000 2.385 964 I HA -0.241 3.929 4.170 -0.000 0.000 0.244 964 I C 2.367 178.447 176.117 -0.062 0.000 1.089 964 I CA 0.700 61.932 61.300 -0.114 0.000 1.410 964 I CB -0.363 37.406 38.000 -0.384 0.000 1.117 964 I HN 0.197 nan 8.210 nan 0.000 0.429 965 Q N 0.757 120.480 119.800 -0.129 0.000 2.224 965 Q HA -0.282 4.058 4.340 -0.000 0.000 0.213 965 Q C 1.800 177.703 176.000 -0.161 0.000 0.998 965 Q CA 1.783 57.453 55.803 -0.222 0.000 0.895 965 Q CB -0.253 28.265 28.738 -0.366 0.000 0.926 965 Q HN 0.554 nan 8.270 nan 0.000 0.417 966 N N -0.115 118.590 118.700 0.009 0.000 2.148 966 N HA -0.061 4.679 4.740 -0.000 0.000 0.186 966 N C 1.736 177.360 175.510 0.190 0.000 1.031 966 N CA 1.118 54.254 53.050 0.143 0.000 0.848 966 N CB -0.507 38.163 38.487 0.304 0.000 1.005 966 N HN 0.211 nan 8.380 nan 0.000 0.427 967 A N 2.408 125.462 122.820 0.390 0.000 1.940 967 A HA -0.257 4.063 4.320 -0.000 0.000 0.221 967 A C 2.032 179.703 177.584 0.146 0.000 1.190 967 A CA 1.453 53.692 52.037 0.337 0.000 0.647 967 A CB -0.559 18.639 19.000 0.331 0.000 0.821 967 A HN 0.296 nan 8.150 nan 0.000 0.457 968 Q N -0.545 119.299 119.800 0.073 0.000 1.062 968 Q HA -0.244 4.096 4.340 -0.000 0.000 0.761 968 Q C 2.004 178.019 176.000 0.025 0.000 0.915 968 Q CA 1.736 57.564 55.803 0.040 0.000 0.882 968 Q CB -0.928 27.827 28.738 0.028 0.000 0.924 968 Q HN 0.950 nan 8.270 nan 0.000 0.274 969 Q N 0.272 120.088 119.800 0.026 0.000 2.671 969 Q HA -0.089 4.251 4.340 -0.000 0.000 0.220 969 Q C 1.050 176.906 176.000 -0.239 0.000 0.968 969 Q CA 1.579 57.367 55.803 -0.025 0.000 0.958 969 Q CB -0.335 28.468 28.738 0.109 0.000 0.991 969 Q HN 0.229 nan 8.270 nan 0.000 0.589 970 T N -0.819 113.592 114.554 -0.240 0.000 3.044 970 T HA 0.150 4.500 4.350 -0.000 0.000 0.255 970 T C -0.103 174.152 174.700 -0.741 0.000 1.073 970 T CA 0.385 62.184 62.100 -0.501 0.000 1.125 970 T CB 0.069 68.562 68.868 -0.625 0.000 0.908 970 T HN 0.401 nan 8.240 nan 0.000 0.480 971 F N 0.865 120.560 119.950 -0.425 0.000 2.735 971 F HA 0.339 4.866 4.527 -0.000 0.000 0.304 971 F C 0.321 176.020 175.800 -0.169 0.000 1.119 971 F CA -0.963 56.856 58.000 -0.302 0.000 1.280 971 F CB -0.237 38.621 39.000 -0.237 0.000 0.994 971 F HN 0.120 nan 8.300 nan 0.000 0.520 972 H N 0.601 119.697 119.070 0.043 0.000 2.355 972 H HA -0.192 4.364 4.556 -0.000 0.000 0.324 972 H C 0.614 175.945 175.328 0.006 0.000 1.015 972 H CA 0.418 56.477 56.048 0.018 0.000 1.101 972 H CB -1.368 28.395 29.762 0.001 0.000 1.555 972 H HN 0.326 nan 8.280 nan 0.000 0.386 973 I N 2.774 123.378 120.570 0.057 0.000 2.587 973 I HA -0.086 4.084 4.170 -0.000 0.000 0.284 973 I C 0.868 176.898 176.117 -0.145 0.000 1.134 973 I CA 0.256 61.533 61.300 -0.038 0.000 1.410 973 I CB 0.478 38.428 38.000 -0.082 0.000 1.392 973 I HN 0.225 nan 8.210 nan 0.000 0.545 974 D N 6.612 126.952 120.400 -0.100 0.000 2.280 974 D HA 0.044 4.684 4.640 -0.000 0.000 0.243 974 D C 0.633 176.869 176.300 -0.107 0.000 1.129 974 D CA -0.396 53.549 54.000 -0.092 0.000 0.848 974 D CB 0.748 41.544 40.800 -0.006 0.000 1.107 974 D HN 0.468 nan 8.370 nan 0.000 0.471 975 H N 1.666 120.761 119.070 0.043 0.000 2.573 975 H HA -0.038 4.518 4.556 -0.000 0.000 0.279 975 H C 1.358 176.697 175.328 0.018 0.000 1.066 975 H CA 1.043 57.109 56.048 0.031 0.000 1.179 975 H CB -0.219 29.563 29.762 0.034 0.000 1.303 975 H HN 0.664 nan 8.280 nan 0.000 0.626 976 T N -2.526 112.079 114.554 0.085 0.000 3.146 976 T HA 0.070 4.420 4.350 -0.000 0.000 0.235 976 T C 1.021 175.738 174.700 0.029 0.000 0.985 976 T CA -0.313 61.820 62.100 0.056 0.000 1.265 976 T CB 0.651 69.546 68.868 0.044 0.000 0.946 976 T HN 0.023 nan 8.240 nan 0.000 0.418 977 K N 3.053 123.462 120.400 0.016 0.000 2.219 977 K HA 0.336 4.656 4.320 -0.000 0.000 0.258 977 K C -2.362 174.237 176.600 -0.001 0.000 1.008 977 K CA -1.688 54.603 56.287 0.006 0.000 0.928 977 K CB 0.187 32.688 32.500 0.003 0.000 0.983 977 K HN 0.370 nan 8.250 nan 0.000 0.484 978 P HA -0.009 nan 4.420 nan 0.000 0.278 978 P C -0.152 177.135 177.300 -0.022 0.000 1.238 978 P CA -0.234 62.858 63.100 -0.014 0.000 0.794 978 P CB 1.424 33.115 31.700 -0.016 0.000 0.955 979 S N 1.004 116.685 115.700 -0.032 0.000 2.647 979 S HA 0.021 4.491 4.470 -0.000 0.000 0.251 979 S C 0.532 175.106 174.600 -0.044 0.000 1.320 979 S CA 0.575 58.749 58.200 -0.043 0.000 0.968 979 S CB -0.272 62.892 63.200 -0.060 0.000 1.005 979 S HN 0.706 nan 8.310 nan 0.000 0.576 980 D N 0.135 120.503 120.400 -0.054 0.000 2.881 980 D HA 0.173 4.813 4.640 -0.000 0.000 0.325 980 D C -0.491 175.771 176.300 -0.063 0.000 1.621 980 D CA -0.218 53.754 54.000 -0.048 0.000 0.785 980 D CB -1.052 39.728 40.800 -0.033 0.000 1.233 980 D HN 0.360 nan 8.370 nan 0.000 0.447 981 L N 0.612 121.779 121.223 -0.093 0.000 2.343 981 L HA 0.483 4.823 4.340 -0.000 0.000 0.275 981 L C 0.480 177.284 176.870 -0.110 0.000 1.056 981 L CA -0.518 54.243 54.840 -0.131 0.000 0.804 981 L CB 1.655 43.578 42.059 -0.228 0.000 1.203 981 L HN -0.181 nan 8.230 nan 0.000 0.440 982 T N 1.533 116.026 114.554 -0.102 0.000 2.913 982 T HA 0.307 4.657 4.350 -0.000 0.000 0.287 982 T C 1.485 176.126 174.700 -0.099 0.000 1.008 982 T CA -0.463 61.591 62.100 -0.077 0.000 1.067 982 T CB 1.720 70.556 68.868 -0.053 0.000 0.996 982 T HN 0.438 nan 8.240 nan 0.000 0.513 983 I N 1.038 121.562 120.570 -0.077 0.000 2.614 983 I HA -0.113 4.057 4.170 -0.000 0.000 0.258 983 I C 2.502 178.579 176.117 -0.065 0.000 1.189 983 I CA 1.173 62.426 61.300 -0.079 0.000 1.462 983 I CB -0.097 37.871 38.000 -0.054 0.000 1.092 983 I HN 0.655 nan 8.210 nan 0.000 0.442 984 K N 0.383 120.753 120.400 -0.050 0.000 2.155 984 K HA -0.151 4.169 4.320 -0.000 0.000 0.203 984 K C 1.551 178.131 176.600 -0.034 0.000 1.052 984 K CA 0.991 57.260 56.287 -0.031 0.000 0.948 984 K CB 0.024 32.511 32.500 -0.021 0.000 0.728 984 K HN 0.207 nan 8.250 nan 0.000 0.448 985 D N 1.193 121.557 120.400 -0.060 0.000 2.120 985 D HA -0.178 4.462 4.640 -0.000 0.000 0.191 985 D C 1.886 178.134 176.300 -0.087 0.000 0.994 985 D CA 1.112 55.073 54.000 -0.065 0.000 0.838 985 D CB -0.326 40.404 40.800 -0.116 0.000 0.976 985 D HN 0.068 nan 8.370 nan 0.000 0.447 986 I N 0.468 120.887 120.570 -0.252 0.000 2.082 986 I HA -0.333 3.837 4.170 -0.000 0.000 0.221 986 I C 2.575 178.688 176.117 -0.006 0.000 1.010 986 I CA 0.962 62.062 61.300 -0.333 0.000 1.322 986 I CB -0.660 37.121 38.000 -0.365 0.000 1.044 986 I HN -0.086 nan 8.210 nan 0.000 0.384 987 V N 0.986 120.891 119.914 -0.014 0.000 2.311 987 V HA -0.336 3.784 4.120 -0.000 0.000 0.256 987 V C 2.262 178.384 176.094 0.046 0.000 1.077 987 V CA 2.079 64.397 62.300 0.030 0.000 1.067 987 V CB -0.625 31.204 31.823 0.010 0.000 0.659 987 V HN 0.394 nan 8.190 nan 0.000 0.451 988 L N -0.299 120.945 121.223 0.036 0.000 2.552 988 L HA 0.041 4.381 4.340 -0.000 0.000 0.227 988 L C 2.185 179.090 176.870 0.059 0.000 1.146 988 L CA 0.945 55.806 54.840 0.037 0.000 0.858 988 L CB -0.453 41.619 42.059 0.022 0.000 0.969 988 L HN 0.478 nan 8.230 nan 0.000 0.451 989 G N -1.612 107.258 108.800 0.116 0.000 2.673 989 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.208 989 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.208 989 G C 1.427 176.382 174.900 0.092 0.000 1.128 989 G CA 0.090 45.270 45.100 0.133 0.000 0.805 989 G HN 0.089 nan 8.290 nan 0.000 0.526 990 V N 0.628 120.623 119.914 0.135 0.000 2.515 990 V HA -0.068 4.051 4.120 -0.000 0.000 0.250 990 V C 2.651 178.747 176.094 0.003 0.000 1.058 990 V CA 2.024 64.362 62.300 0.064 0.000 1.064 990 V CB -0.107 31.785 31.823 0.116 0.000 0.675 990 V HN 0.322 nan 8.190 nan 0.000 0.461 991 K N -0.387 120.023 120.400 0.015 0.000 2.062 991 K HA -0.158 4.162 4.320 -0.000 0.000 0.205 991 K C 1.897 178.482 176.600 -0.024 0.000 1.051 991 K CA 1.328 57.609 56.287 -0.011 0.000 0.941 991 K CB -0.157 32.343 32.500 -0.001 0.000 0.719 991 K HN 0.338 nan 8.250 nan 0.000 0.440 992 D N 0.742 121.135 120.400 -0.010 0.000 2.351 992 D HA -0.130 4.510 4.640 -0.000 0.000 0.216 992 D C 1.662 177.936 176.300 -0.044 0.000 0.968 992 D CA 0.459 54.447 54.000 -0.020 0.000 0.899 992 D CB 0.251 41.049 40.800 -0.004 0.000 0.907 992 D HN 0.110 nan 8.370 nan 0.000 0.514 993 L N 1.053 122.241 121.223 -0.058 0.000 2.022 993 L HA -0.114 4.226 4.340 -0.000 0.000 0.204 993 L C 2.198 179.001 176.870 -0.112 0.000 1.076 993 L CA 1.597 56.382 54.840 -0.091 0.000 0.749 993 L CB -0.820 41.172 42.059 -0.112 0.000 0.903 993 L HN -0.099 nan 8.230 nan 0.000 0.439 994 Q N -0.401 119.329 119.800 -0.116 0.000 2.268 994 Q HA -0.276 4.064 4.340 -0.000 0.000 0.213 994 Q C 1.864 177.793 176.000 -0.120 0.000 0.995 994 Q CA 1.807 57.531 55.803 -0.132 0.000 0.901 994 Q CB -0.349 28.322 28.738 -0.111 0.000 0.921 994 Q HN 0.541 nan 8.270 nan 0.000 0.421 995 E N 0.158 120.304 120.200 -0.089 0.000 2.268 995 E HA -0.079 4.271 4.350 -0.000 0.000 0.195 995 E C 1.160 177.711 176.600 -0.080 0.000 0.995 995 E CA 0.620 56.976 56.400 -0.072 0.000 0.836 995 E CB -0.032 29.638 29.700 -0.051 0.000 0.763 995 E HN 0.384 nan 8.360 nan 0.000 0.491 996 N N 0.015 118.653 118.700 -0.102 0.000 2.254 996 N HA 0.057 4.797 4.740 -0.000 0.000 0.190 996 N C 0.323 175.738 175.510 -0.158 0.000 1.107 996 N CA 0.018 53.008 53.050 -0.100 0.000 0.869 996 N CB 0.633 39.073 38.487 -0.078 0.000 0.983 996 N HN 0.138 nan 8.380 nan 0.000 0.487 997 L N 2.201 123.253 121.223 -0.286 0.000 2.376 997 L HA 0.189 4.529 4.340 -0.000 0.000 0.250 997 L C -0.508 176.165 176.870 -0.328 0.000 1.335 997 L CA -0.167 54.289 54.840 -0.640 0.000 1.214 997 L CB -0.730 40.715 42.059 -1.024 0.000 1.395 997 L HN -0.175 nan 8.230 nan 0.000 0.424 998 L N 1.141 122.328 121.223 -0.061 0.000 2.290 998 L HA 0.170 4.509 4.340 -0.000 0.000 0.284 998 L C 1.036 178.013 176.870 0.179 0.000 1.078 998 L CA 0.144 55.014 54.840 0.049 0.000 0.815 998 L CB 1.463 43.535 42.059 0.023 0.000 1.162 998 L HN 0.108 nan 8.230 nan 0.000 0.435 999 V N 3.211 123.227 119.914 0.170 0.000 2.490 999 V HA 0.153 4.273 4.120 -0.000 0.000 0.238 999 V C 0.702 176.847 176.094 0.084 0.000 1.056 999 V CA 0.543 62.934 62.300 0.153 0.000 1.075 999 V CB 0.106 32.021 31.823 0.153 0.000 0.746 999 V HN 0.465 nan 8.190 nan 0.000 0.479 1000 L N -0.696 120.570 121.223 0.072 0.000 2.358 1000 L HA 0.456 4.796 4.340 -0.000 0.000 0.268 1000 L C 1.113 178.007 176.870 0.040 0.000 1.032 1000 L CA -0.177 54.697 54.840 0.057 0.000 0.805 1000 L CB 1.738 43.831 42.059 0.056 0.000 1.253 1000 L HN 0.003 nan 8.230 nan 0.000 0.452 1001 R N 0.454 120.974 120.500 0.033 0.000 2.243 1001 R HA 0.206 4.546 4.340 -0.000 0.000 0.193 1001 R C 0.530 176.838 176.300 0.013 0.000 0.933 1001 R CA 0.243 56.354 56.100 0.018 0.000 1.105 1001 R CB 0.207 30.514 30.300 0.012 0.000 1.169 1001 R HN 0.835 nan 8.270 nan 0.000 0.599 1002 G N 2.181 110.991 108.800 0.017 0.000 2.956 1002 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.258 1002 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.258 1002 G C -0.244 174.659 174.900 0.004 0.000 0.437 1002 G CA 0.318 45.426 45.100 0.012 0.000 1.163 1002 G HN 0.136 nan 8.290 nan 0.000 0.231 1003 K N 1.299 121.700 120.400 0.002 0.000 3.141 1003 K HA 0.311 4.631 4.320 -0.000 0.000 0.248 1003 K C 0.517 177.116 176.600 -0.002 0.000 1.282 1003 K CA -0.049 56.237 56.287 -0.002 0.000 1.251 1003 K CB -0.339 32.159 32.500 -0.002 0.000 1.533 1003 K HN 0.900 nan 8.250 nan 0.000 0.409 1004 N N -2.862 115.836 118.700 -0.003 0.000 3.378 1004 N HA 0.071 4.811 4.740 -0.000 0.000 0.294 1004 N C 0.183 175.688 175.510 -0.009 0.000 1.544 1004 N CA -0.729 52.318 53.050 -0.006 0.000 0.872 1004 N CB 0.613 39.098 38.487 -0.004 0.000 1.670 1004 N HN -0.103 nan 8.380 nan 0.000 0.551 1005 E N 0.088 120.281 120.200 -0.012 0.000 2.033 1005 E HA 0.246 4.596 4.350 -0.000 0.000 0.189 1005 E C 1.409 177.996 176.600 -0.021 0.000 0.979 1005 E CA 1.177 57.567 56.400 -0.016 0.000 0.802 1005 E CB -0.263 29.427 29.700 -0.016 0.000 0.763 1005 E HN 0.582 nan 8.360 nan 0.000 0.449 1006 I N 0.894 121.449 120.570 -0.024 0.000 2.185 1006 I HA -0.304 3.866 4.170 -0.000 0.000 0.246 1006 I C 1.939 178.034 176.117 -0.036 0.000 1.088 1006 I CA 0.899 62.177 61.300 -0.037 0.000 1.347 1006 I CB -0.297 37.678 38.000 -0.041 0.000 1.041 1006 I HN 0.281 nan 8.210 nan 0.000 0.415 1007 I N 0.016 120.573 120.570 -0.020 0.000 2.141 1007 I HA -0.233 3.936 4.170 -0.000 0.000 0.236 1007 I C 2.475 178.588 176.117 -0.007 0.000 1.071 1007 I CA 1.366 62.660 61.300 -0.009 0.000 1.345 1007 I CB -1.441 36.562 38.000 0.005 0.000 1.066 1007 I HN 0.320 nan 8.210 nan 0.000 0.406 1008 Q N 0.646 120.442 119.800 -0.007 0.000 2.376 1008 Q HA -0.207 4.133 4.340 -0.000 0.000 0.211 1008 Q C 1.791 177.783 176.000 -0.014 0.000 0.986 1008 Q CA 0.947 56.745 55.803 -0.008 0.000 0.886 1008 Q CB -0.525 28.207 28.738 -0.010 0.000 0.927 1008 Q HN 0.492 nan 8.270 nan 0.000 0.457 1009 N N -0.215 118.474 118.700 -0.019 0.000 2.376 1009 N HA -0.012 4.728 4.740 -0.000 0.000 0.177 1009 N C 1.409 176.904 175.510 -0.024 0.000 1.024 1009 N CA 0.854 53.889 53.050 -0.025 0.000 0.893 1009 N CB 0.257 38.725 38.487 -0.031 0.000 0.980 1009 N HN 0.195 nan 8.380 nan 0.000 0.439 1010 A N 0.740 123.547 122.820 -0.022 0.000 1.897 1010 A HA -0.146 4.174 4.320 -0.000 0.000 0.215 1010 A C 2.113 179.700 177.584 0.005 0.000 1.181 1010 A CA 1.375 53.403 52.037 -0.014 0.000 0.620 1010 A CB -0.672 18.321 19.000 -0.012 0.000 0.821 1010 A HN 0.300 nan 8.150 nan 0.000 0.443 1011 Q N 0.571 120.377 119.800 0.010 0.000 2.012 1011 Q HA -0.269 4.071 4.340 -0.000 0.000 0.211 1011 Q C 2.076 178.084 176.000 0.013 0.000 1.009 1011 Q CA 2.683 58.498 55.803 0.020 0.000 0.866 1011 Q CB -0.534 28.209 28.738 0.009 0.000 0.945 1011 Q HN 0.643 nan 8.270 nan 0.000 0.414 1012 R N 0.222 120.717 120.500 -0.008 0.000 2.113 1012 R HA -0.193 4.147 4.340 -0.000 0.000 0.244 1012 R C 2.100 178.388 176.300 -0.020 0.000 1.142 1012 R CA 1.603 57.689 56.100 -0.023 0.000 0.953 1012 R CB -0.647 29.632 30.300 -0.035 0.000 0.860 1012 R HN 0.532 nan 8.270 nan 0.000 0.438 1013 D N 0.879 121.271 120.400 -0.012 0.000 2.088 1013 D HA -0.157 4.483 4.640 -0.000 0.000 0.191 1013 D C 1.410 177.718 176.300 0.013 0.000 0.992 1013 D CA 1.635 55.631 54.000 -0.007 0.000 0.831 1013 D CB -0.339 40.459 40.800 -0.004 0.000 0.973 1013 D HN 0.262 nan 8.370 nan 0.000 0.447 1014 A N 0.334 123.174 122.820 0.033 0.000 2.176 1014 A HA 0.131 4.451 4.320 -0.000 0.000 0.214 1014 A C 1.474 179.119 177.584 0.102 0.000 1.327 1014 A CA 0.412 52.484 52.037 0.057 0.000 1.015 1014 A CB -0.292 18.746 19.000 0.064 0.000 0.818 1014 A HN 0.159 nan 8.150 nan 0.000 0.500 1015 V N -2.953 117.015 119.914 0.089 0.000 3.294 1015 V HA -0.076 4.044 4.120 -0.000 0.000 0.255 1015 V C 2.170 178.328 176.094 0.107 0.000 1.528 1015 V CA 1.086 63.476 62.300 0.150 0.000 1.086 1015 V CB -0.550 31.330 31.823 0.094 0.000 0.906 1015 V HN 0.473 nan 8.190 nan 0.000 0.433 1016 T N 2.112 116.667 114.554 0.002 0.000 2.567 1016 T HA -0.349 4.001 4.350 -0.000 0.000 0.261 1016 T C 1.859 176.511 174.700 -0.080 0.000 1.123 1016 T CA 2.627 64.662 62.100 -0.108 0.000 1.166 1016 T CB -0.500 68.242 68.868 -0.209 0.000 0.860 1016 T HN 0.268 nan 8.240 nan 0.000 0.436 1017 L N 0.662 121.892 121.223 0.012 0.000 1.990 1017 L HA -0.063 4.277 4.340 -0.000 0.000 0.213 1017 L C 2.116 179.070 176.870 0.139 0.000 1.072 1017 L CA 1.768 56.664 54.840 0.094 0.000 0.755 1017 L CB -1.365 40.784 42.059 0.150 0.000 0.889 1017 L HN 0.298 nan 8.230 nan 0.000 0.432 1018 F N 0.082 120.063 119.950 0.051 0.000 2.091 1018 F HA -0.304 4.223 4.527 -0.000 0.000 0.299 1018 F C 2.563 178.383 175.800 0.034 0.000 1.103 1018 F CA 1.871 59.919 58.000 0.080 0.000 1.228 1018 F CB -1.106 37.993 39.000 0.165 0.000 0.984 1018 F HN 0.255 nan 8.300 nan 0.000 0.477 1019 C N -0.169 119.016 119.300 -0.192 0.000 2.413 1019 C HA -0.224 4.236 4.460 -0.000 0.000 0.276 1019 C C 3.066 177.912 174.990 -0.240 0.000 1.248 1019 C CA 0.999 59.823 59.018 -0.323 0.000 1.742 1019 C CB -1.917 25.713 27.740 -0.183 0.000 2.017 1019 C HN 0.712 nan 8.230 nan 0.000 0.481 1020 C N 0.519 119.732 119.300 -0.145 0.000 2.398 1020 C HA -0.169 4.291 4.460 -0.000 0.000 0.276 1020 C C 2.567 177.518 174.990 -0.066 0.000 1.222 1020 C CA 1.364 60.330 59.018 -0.088 0.000 1.746 1020 C CB -1.669 26.053 27.740 -0.030 0.000 2.039 1020 C HN 0.681 nan 8.230 nan 0.000 0.470 1021 L N 0.499 121.676 121.223 -0.076 0.000 2.083 1021 L HA -0.065 4.275 4.340 -0.000 0.000 0.209 1021 L C 2.218 179.003 176.870 -0.142 0.000 1.083 1021 L CA 1.637 56.445 54.840 -0.054 0.000 0.752 1021 L CB -0.853 41.209 42.059 0.005 0.000 0.899 1021 L HN 0.252 nan 8.230 nan 0.000 0.433 1022 L N 0.135 121.153 121.223 -0.341 0.000 1.961 1022 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 1022 L C 2.745 179.535 176.870 -0.133 0.000 1.072 1022 L CA 1.929 56.562 54.840 -0.345 0.000 0.749 1022 L CB -0.710 41.032 42.059 -0.529 0.000 0.889 1022 L HN 0.264 nan 8.230 nan 0.000 0.432 1023 R N -0.993 119.446 120.500 -0.101 0.000 2.159 1023 R HA -0.154 4.186 4.340 -0.000 0.000 0.237 1023 R C 2.484 178.832 176.300 0.080 0.000 1.131 1023 R CA 1.221 57.316 56.100 -0.009 0.000 0.982 1023 R CB -0.733 29.556 30.300 -0.019 0.000 0.868 1023 R HN 0.522 nan 8.270 nan 0.000 0.453 1024 S N 0.701 116.449 115.700 0.080 0.000 2.370 1024 S HA -0.127 4.343 4.470 -0.000 0.000 0.226 1024 S C 1.723 176.464 174.600 0.234 0.000 1.033 1024 S CA 1.086 59.410 58.200 0.208 0.000 1.011 1024 S CB 0.082 63.363 63.200 0.136 0.000 0.852 1024 S HN 0.224 nan 8.310 nan 0.000 0.457 1025 R N 0.262 120.843 120.500 0.134 0.000 2.312 1025 R HA 0.339 4.679 4.340 -0.000 0.000 0.205 1025 R C 0.403 176.827 176.300 0.207 0.000 0.904 1025 R CA 0.187 56.389 56.100 0.171 0.000 1.052 1025 R CB -0.346 30.030 30.300 0.127 0.000 1.014 1025 R HN 0.429 nan 8.270 nan 0.000 0.503 1026 L N 1.239 122.547 121.223 0.142 0.000 3.100 1026 L HA 0.444 4.784 4.340 -0.000 0.000 0.259 1026 L C -0.188 176.768 176.870 0.143 0.000 1.316 1026 L CA -0.554 54.401 54.840 0.192 0.000 0.992 1026 L CB 0.958 43.111 42.059 0.156 0.000 1.390 1026 L HN -0.111 nan 8.230 nan 0.000 0.550 1027 A N -0.515 122.348 122.820 0.071 0.000 2.290 1027 A HA 0.493 4.813 4.320 -0.000 0.000 0.310 1027 A C 1.337 178.892 177.584 -0.049 0.000 1.202 1027 A CA -0.233 51.818 52.037 0.023 0.000 0.837 1027 A CB 0.709 19.723 19.000 0.022 0.000 1.139 1027 A HN 0.406 nan 8.150 nan 0.000 0.509 1028 T N 2.039 116.573 114.554 -0.034 0.000 2.522 1028 T HA -0.288 4.062 4.350 -0.000 0.000 0.253 1028 T C 2.133 176.759 174.700 -0.123 0.000 1.218 1028 T CA 2.044 64.098 62.100 -0.076 0.000 1.155 1028 T CB -0.335 68.501 68.868 -0.053 0.000 0.855 1028 T HN 0.671 nan 8.240 nan 0.000 0.435 1029 R N 0.680 121.097 120.500 -0.138 0.000 2.112 1029 R HA -0.083 4.257 4.340 -0.000 0.000 0.242 1029 R C 2.675 178.818 176.300 -0.262 0.000 1.137 1029 R CA 1.874 57.863 56.100 -0.185 0.000 0.944 1029 R CB -0.641 29.538 30.300 -0.202 0.000 0.857 1029 R HN 0.411 nan 8.270 nan 0.000 0.435 1030 R N -0.266 120.018 120.500 -0.360 0.000 2.082 1030 R HA -0.127 4.213 4.340 -0.000 0.000 0.234 1030 R C 2.274 178.257 176.300 -0.528 0.000 1.136 1030 R CA 1.925 57.719 56.100 -0.511 0.000 0.935 1030 R CB -0.512 29.469 30.300 -0.531 0.000 0.842 1030 R HN 0.058 nan 8.270 nan 0.000 0.430 1031 V N 0.834 120.598 119.914 -0.251 0.000 2.636 1031 V HA -0.260 3.860 4.120 -0.000 0.000 0.258 1031 V C 1.795 177.861 176.094 -0.046 0.000 1.092 1031 V CA 1.688 63.985 62.300 -0.005 0.000 1.110 1031 V CB -0.437 31.421 31.823 0.058 0.000 0.685 1031 V HN 0.298 nan 8.190 nan 0.000 0.481 1032 L N -1.956 119.186 121.223 -0.134 0.000 2.547 1032 L HA 0.150 4.490 4.340 -0.000 0.000 0.218 1032 L C 2.259 179.072 176.870 -0.095 0.000 1.048 1032 L CA 0.855 55.638 54.840 -0.095 0.000 0.859 1032 L CB -0.312 41.686 42.059 -0.101 0.000 1.128 1032 L HN 0.126 nan 8.230 nan 0.000 0.483 1033 Q N 0.120 119.830 119.800 -0.150 0.000 2.165 1033 Q HA -0.073 4.267 4.340 -0.000 0.000 0.197 1033 Q C 1.842 177.757 176.000 -0.141 0.000 0.952 1033 Q CA 1.001 56.727 55.803 -0.128 0.000 0.848 1033 Q CB 0.396 29.048 28.738 -0.142 0.000 0.931 1033 Q HN 0.451 nan 8.270 nan 0.000 0.470 1034 E N -0.310 119.723 120.200 -0.277 0.000 2.016 1034 E HA -0.119 4.230 4.350 -0.000 0.000 0.190 1034 E C -0.237 176.297 176.600 -0.110 0.000 0.985 1034 E CA 0.862 57.090 56.400 -0.287 0.000 0.802 1034 E CB 0.132 29.516 29.700 -0.528 0.000 0.762 1034 E HN 0.377 nan 8.360 nan 0.000 0.448 1035 Y N -0.146 120.171 120.300 0.029 0.000 2.915 1035 Y HA 0.408 4.958 4.550 -0.000 0.000 0.350 1035 Y C -0.297 175.627 175.900 0.041 0.000 1.061 1035 Y CA -1.019 57.120 58.100 0.066 0.000 1.179 1035 Y CB 0.185 38.677 38.460 0.053 0.000 1.180 1035 Y HN -0.279 nan 8.280 nan 0.000 0.605 1036 R N 2.582 123.179 120.500 0.161 0.000 3.800 1036 R HA -0.090 4.250 4.340 -0.000 0.000 0.142 1036 R C -0.122 176.204 176.300 0.042 0.000 1.071 1036 R CA 0.357 56.498 56.100 0.068 0.000 0.978 1036 R CB -0.991 29.328 30.300 0.032 0.000 1.342 1036 R HN 0.755 nan 8.270 nan 0.000 0.531 1037 L N 0.553 121.830 121.223 0.090 0.000 2.461 1037 L HA 0.049 4.389 4.340 -0.000 0.000 0.272 1037 L C 1.600 178.460 176.870 -0.018 0.000 1.197 1037 L CA 0.336 55.207 54.840 0.051 0.000 0.836 1037 L CB 0.516 42.671 42.059 0.160 0.000 1.105 1037 L HN 0.314 nan 8.230 nan 0.000 0.477 1038 T N -0.986 113.527 114.554 -0.067 0.000 2.880 1038 T HA 0.203 4.553 4.350 -0.000 0.000 0.279 1038 T C 0.838 175.502 174.700 -0.060 0.000 0.990 1038 T CA -0.641 61.412 62.100 -0.078 0.000 0.938 1038 T CB 1.561 70.368 68.868 -0.101 0.000 1.206 1038 T HN 0.594 nan 8.240 nan 0.000 0.573 1039 K N -0.027 120.343 120.400 -0.050 0.000 2.097 1039 K HA -0.087 4.233 4.320 -0.000 0.000 0.205 1039 K C 2.433 179.037 176.600 0.007 0.000 1.050 1039 K CA 1.730 58.016 56.287 -0.002 0.000 0.938 1039 K CB -0.501 31.996 32.500 -0.005 0.000 0.718 1039 K HN 0.708 nan 8.250 nan 0.000 0.442 1040 Q N -0.112 119.637 119.800 -0.086 0.000 1.975 1040 Q HA -0.205 4.135 4.340 -0.000 0.000 0.205 1040 Q C 1.988 177.780 176.000 -0.347 0.000 0.990 1040 Q CA 2.190 57.893 55.803 -0.167 0.000 0.845 1040 Q CB -0.444 28.173 28.738 -0.202 0.000 0.913 1040 Q HN 0.436 nan 8.270 nan 0.000 0.420 1041 A N 0.414 122.864 122.820 -0.617 0.000 1.859 1041 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 1041 A C 1.938 179.493 177.584 -0.049 0.000 1.209 1041 A CA 1.845 53.526 52.037 -0.593 0.000 0.639 1041 A CB -1.407 17.353 19.000 -0.401 0.000 0.835 1041 A HN 0.629 nan 8.150 nan 0.000 0.450 1042 F N 1.100 120.984 119.950 -0.109 0.000 2.091 1042 F HA -0.239 4.288 4.527 -0.000 0.000 0.299 1042 F C 2.003 177.812 175.800 0.015 0.000 1.103 1042 F CA 2.384 60.370 58.000 -0.024 0.000 1.228 1042 F CB -0.252 38.733 39.000 -0.026 0.000 0.984 1042 F HN 0.309 nan 8.300 nan 0.000 0.477 1043 D N -1.324 119.168 120.400 0.153 0.000 2.263 1043 D HA -0.223 4.417 4.640 -0.000 0.000 0.208 1043 D C 1.757 178.103 176.300 0.077 0.000 0.971 1043 D CA 1.180 55.227 54.000 0.078 0.000 0.867 1043 D CB -0.431 40.442 40.800 0.121 0.000 0.929 1043 D HN 0.489 nan 8.370 nan 0.000 0.492 1044 W N 1.340 122.584 121.300 -0.093 0.000 2.463 1044 W HA -0.128 4.532 4.660 -0.000 0.000 0.316 1044 W C 2.234 178.701 176.519 -0.087 0.000 1.170 1044 W CA 0.601 57.925 57.345 -0.033 0.000 1.355 1044 W CB -0.637 28.853 29.460 0.051 0.000 1.159 1044 W HN -0.314 nan 8.180 nan 0.000 0.487 1045 V N 1.812 121.769 119.914 0.072 0.000 2.363 1045 V HA -0.380 3.740 4.120 -0.000 0.000 0.254 1045 V C 2.294 178.208 176.094 -0.300 0.000 1.074 1045 V CA 2.027 64.228 62.300 -0.165 0.000 1.069 1045 V CB -1.164 30.577 31.823 -0.138 0.000 0.659 1045 V HN 0.270 nan 8.190 nan 0.000 0.455 1046 L N -0.485 120.536 121.223 -0.337 0.000 1.973 1046 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 1046 L C 2.739 179.475 176.870 -0.224 0.000 1.073 1046 L CA 1.964 56.616 54.840 -0.315 0.000 0.746 1046 L CB -0.953 40.905 42.059 -0.336 0.000 0.891 1046 L HN 0.406 nan 8.230 nan 0.000 0.433 1047 S N 0.102 115.687 115.700 -0.193 0.000 2.389 1047 S HA -0.251 4.219 4.470 -0.000 0.000 0.231 1047 S C 1.808 176.279 174.600 -0.216 0.000 1.052 1047 S CA 1.920 60.021 58.200 -0.165 0.000 1.053 1047 S CB -0.328 62.798 63.200 -0.124 0.000 0.886 1047 S HN 0.402 nan 8.310 nan 0.000 0.456 1048 N N 0.929 119.416 118.700 -0.355 0.000 2.080 1048 N HA 0.004 4.744 4.740 -0.000 0.000 0.189 1048 N C 1.903 177.298 175.510 -0.192 0.000 1.036 1048 N CA 1.603 54.438 53.050 -0.358 0.000 0.846 1048 N CB -0.495 37.624 38.487 -0.612 0.000 1.015 1048 N HN 0.457 nan 8.380 nan 0.000 0.423 1049 I N 1.606 122.079 120.570 -0.161 0.000 2.194 1049 I HA -0.316 3.854 4.170 -0.000 0.000 0.246 1049 I C 2.564 178.701 176.117 0.034 0.000 1.093 1049 I CA 1.313 62.597 61.300 -0.027 0.000 1.355 1049 I CB -0.320 37.672 38.000 -0.013 0.000 1.046 1049 I HN 0.300 nan 8.210 nan 0.000 0.413 1050 E N 1.409 121.591 120.200 -0.030 0.000 2.012 1050 E HA -0.270 4.080 4.350 -0.000 0.000 0.197 1050 E C 2.244 178.866 176.600 0.036 0.000 1.007 1050 E CA 1.772 58.167 56.400 -0.008 0.000 0.816 1050 E CB -0.215 29.453 29.700 -0.054 0.000 0.762 1050 E HN 0.405 nan 8.360 nan 0.000 0.451 1051 A N 0.499 123.307 122.820 -0.020 0.000 1.873 1051 A HA -0.343 3.977 4.320 -0.000 0.000 0.218 1051 A C 2.253 179.832 177.584 -0.009 0.000 1.193 1051 A CA 2.212 54.237 52.037 -0.020 0.000 0.629 1051 A CB -1.063 17.905 19.000 -0.053 0.000 0.826 1051 A HN 0.503 nan 8.150 nan 0.000 0.447 1052 Q N -1.756 118.032 119.800 -0.020 0.000 2.045 1052 Q HA -0.220 4.120 4.340 -0.000 0.000 0.206 1052 Q C 1.831 177.813 176.000 -0.031 0.000 0.991 1052 Q CA 2.270 58.059 55.803 -0.023 0.000 0.851 1052 Q CB -0.343 28.382 28.738 -0.022 0.000 0.911 1052 Q HN 0.721 nan 8.270 nan 0.000 0.418 1053 F N 0.541 120.412 119.950 -0.132 0.000 2.011 1053 F HA -0.271 4.256 4.527 -0.000 0.000 0.296 1053 F C 1.732 177.419 175.800 -0.189 0.000 1.144 1053 F CA 1.680 59.560 58.000 -0.199 0.000 1.185 1053 F CB -0.392 38.507 39.000 -0.168 0.000 0.961 1053 F HN 0.049 nan 8.300 nan 0.000 0.485 1054 L N 0.147 121.500 121.223 0.216 0.000 2.369 1054 L HA -0.296 4.044 4.340 -0.000 0.000 0.220 1054 L C 2.376 179.157 176.870 -0.148 0.000 1.119 1054 L CA 1.309 56.185 54.840 0.059 0.000 0.780 1054 L CB -0.578 41.520 42.059 0.065 0.000 0.906 1054 L HN 0.279 nan 8.230 nan 0.000 0.442 1055 R N -1.611 118.763 120.500 -0.210 0.000 2.189 1055 R HA 0.040 4.380 4.340 -0.000 0.000 0.203 1055 R C 2.201 178.143 176.300 -0.596 0.000 1.012 1055 R CA 0.748 56.673 56.100 -0.291 0.000 1.015 1055 R CB 0.020 30.209 30.300 -0.185 0.000 0.938 1055 R HN 0.199 nan 8.270 nan 0.000 0.472 1056 S N 0.763 116.086 115.700 -0.629 0.000 2.561 1056 S HA 0.027 4.497 4.470 -0.000 0.000 0.225 1056 S C 1.058 175.354 174.600 -0.508 0.000 0.977 1056 S CA 0.114 57.890 58.200 -0.706 0.000 0.926 1056 S CB 0.024 62.918 63.200 -0.510 0.000 0.769 1056 S HN -0.027 nan 8.310 nan 0.000 0.533 1057 V N 1.628 121.258 119.914 -0.474 0.000 3.681 1057 V HA 0.069 4.189 4.120 -0.000 0.000 0.298 1057 V C 0.669 176.645 176.094 -0.196 0.000 1.097 1057 V CA -0.234 61.878 62.300 -0.313 0.000 1.125 1057 V CB 0.367 32.039 31.823 -0.251 0.000 1.140 1057 V HN 0.080 nan 8.190 nan 0.000 0.476 1058 V N 0.817 120.682 119.914 -0.082 0.000 2.472 1058 V HA 0.264 4.384 4.120 -0.000 0.000 0.290 1058 V C 0.085 176.151 176.094 -0.047 0.000 1.037 1058 V CA -0.600 61.705 62.300 0.007 0.000 0.908 1058 V CB 1.113 32.993 31.823 0.095 0.000 0.985 1058 V HN 0.771 nan 8.190 nan 0.000 0.454 1059 H N 5.070 124.116 119.070 -0.040 0.000 2.944 1059 H HA 0.167 4.722 4.556 -0.000 0.000 0.278 1059 H C -2.282 173.008 175.328 -0.063 0.000 1.083 1059 H CA -1.691 54.344 56.048 -0.022 0.000 1.479 1059 H CB 0.855 30.610 29.762 -0.011 0.000 1.486 1059 H HN 0.414 nan 8.280 nan 0.000 0.493 1060 P HA -0.038 nan 4.420 nan 0.000 0.258 1060 P C 0.948 178.091 177.300 -0.262 0.000 1.187 1060 P CA 0.940 63.944 63.100 -0.161 0.000 0.767 1060 P CB 0.559 32.166 31.700 -0.155 0.000 0.770 1061 G N 2.399 111.053 108.800 -0.243 0.000 3.382 1061 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.214 1061 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.214 1061 G C -0.040 174.763 174.900 -0.161 0.000 1.025 1061 G CA -0.466 44.527 45.100 -0.178 0.000 0.869 1061 G HN 0.431 nan 8.290 nan 0.000 0.458 1062 E N 1.538 121.644 120.200 -0.156 0.000 2.529 1062 E HA 0.120 4.470 4.350 -0.000 0.000 0.259 1062 E C 0.319 176.786 176.600 -0.222 0.000 0.966 1062 E CA 0.433 56.725 56.400 -0.180 0.000 0.937 1062 E CB 0.370 29.939 29.700 -0.217 0.000 0.923 1062 E HN 0.184 nan 8.360 nan 0.000 0.468 1063 M N 4.194 123.685 119.600 -0.183 0.000 3.512 1063 M HA 0.043 4.523 4.480 -0.000 0.000 0.231 1063 M C 1.034 177.231 176.300 -0.172 0.000 1.345 1063 M CA -0.255 54.941 55.300 -0.174 0.000 1.504 1063 M CB -0.207 32.312 32.600 -0.135 0.000 1.074 1063 M HN 0.232 nan 8.290 nan 0.000 0.615 1064 V N 0.754 120.530 119.914 -0.230 0.000 2.453 1064 V HA -0.241 3.878 4.120 -0.000 0.000 0.252 1064 V C 2.346 178.391 176.094 -0.080 0.000 1.068 1064 V CA 2.371 64.552 62.300 -0.200 0.000 1.070 1064 V CB -1.297 30.302 31.823 -0.374 0.000 0.664 1064 V HN 0.800 nan 8.190 nan 0.000 0.461 1065 G N 0.290 109.033 108.800 -0.096 0.000 2.545 1065 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 1065 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 1065 G C 1.643 176.488 174.900 -0.093 0.000 1.218 1065 G CA 1.354 46.406 45.100 -0.080 0.000 0.787 1065 G HN 0.390 nan 8.290 nan 0.000 0.571 1066 V N 1.052 120.901 119.914 -0.108 0.000 2.453 1066 V HA -0.153 3.967 4.120 -0.000 0.000 0.252 1066 V C 2.673 178.700 176.094 -0.111 0.000 1.068 1066 V CA 1.454 63.686 62.300 -0.113 0.000 1.070 1066 V CB -0.567 31.192 31.823 -0.107 0.000 0.664 1066 V HN 0.313 nan 8.190 nan 0.000 0.461 1067 L N 1.096 122.259 121.223 -0.100 0.000 1.948 1067 L HA -0.111 4.229 4.340 -0.000 0.000 0.212 1067 L C 2.620 179.382 176.870 -0.180 0.000 1.074 1067 L CA 2.756 57.529 54.840 -0.111 0.000 0.753 1067 L CB -1.710 40.315 42.059 -0.057 0.000 0.888 1067 L HN 0.288 nan 8.230 nan 0.000 0.432 1068 A N -0.166 122.605 122.820 -0.080 0.000 1.927 1068 A HA -0.260 4.060 4.320 -0.000 0.000 0.220 1068 A C 2.455 179.957 177.584 -0.137 0.000 1.185 1068 A CA 2.785 54.785 52.037 -0.063 0.000 0.639 1068 A CB -1.196 17.899 19.000 0.159 0.000 0.820 1068 A HN 0.675 nan 8.150 nan 0.000 0.451 1069 A N -0.734 122.015 122.820 -0.118 0.000 1.849 1069 A HA -0.285 4.035 4.320 -0.000 0.000 0.217 1069 A C 2.135 179.631 177.584 -0.147 0.000 1.202 1069 A CA 1.942 53.900 52.037 -0.131 0.000 0.629 1069 A CB -0.893 18.019 19.000 -0.147 0.000 0.834 1069 A HN 0.677 nan 8.150 nan 0.000 0.447 1070 Q N -0.239 119.469 119.800 -0.153 0.000 2.045 1070 Q HA -0.174 4.166 4.340 -0.000 0.000 0.206 1070 Q C 2.421 178.315 176.000 -0.177 0.000 0.991 1070 Q CA 1.941 57.654 55.803 -0.151 0.000 0.851 1070 Q CB -0.442 28.230 28.738 -0.111 0.000 0.911 1070 Q HN 0.667 nan 8.270 nan 0.000 0.418 1071 S N 0.771 116.324 115.700 -0.245 0.000 2.413 1071 S HA -0.190 4.280 4.470 -0.000 0.000 0.237 1071 S C 1.894 176.389 174.600 -0.175 0.000 1.044 1071 S CA 1.278 59.303 58.200 -0.292 0.000 1.024 1071 S CB -0.277 62.455 63.200 -0.780 0.000 0.829 1071 S HN 0.295 nan 8.310 nan 0.000 0.475 1072 I N 0.712 121.196 120.570 -0.143 0.000 2.364 1072 I HA 0.031 4.201 4.170 -0.000 0.000 0.241 1072 I C 2.790 178.851 176.117 -0.093 0.000 1.082 1072 I CA 0.918 62.170 61.300 -0.079 0.000 1.401 1072 I CB -1.022 36.944 38.000 -0.056 0.000 1.126 1072 I HN 0.371 nan 8.210 nan 0.000 0.429 1073 G N 0.572 109.306 108.800 -0.110 0.000 2.479 1073 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.220 1073 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.220 1073 G C 1.550 176.370 174.900 -0.132 0.000 1.115 1073 G CA 0.517 45.550 45.100 -0.111 0.000 0.757 1073 G HN 0.308 nan 8.290 nan 0.000 0.560 1074 E N 1.312 121.407 120.200 -0.175 0.000 2.015 1074 E HA -0.067 4.283 4.350 -0.000 0.000 0.191 1074 E C -0.144 176.345 176.600 -0.184 0.000 0.991 1074 E CA 1.018 57.267 56.400 -0.252 0.000 0.802 1074 E CB -0.794 28.652 29.700 -0.424 0.000 0.759 1074 E HN 0.375 nan 8.360 nan 0.000 0.447 1075 P HA 0.008 nan 4.420 nan 0.000 0.244 1075 P C 0.518 177.776 177.300 -0.070 0.000 1.211 1075 P CA 0.877 63.926 63.100 -0.086 0.000 0.760 1075 P CB 0.076 31.744 31.700 -0.053 0.000 0.961 1076 A N -0.227 122.546 122.820 -0.079 0.000 2.030 1076 A HA 0.008 4.328 4.320 -0.000 0.000 0.215 1076 A C 2.142 179.693 177.584 -0.055 0.000 1.164 1076 A CA 1.304 53.305 52.037 -0.061 0.000 0.697 1076 A CB -1.236 17.728 19.000 -0.060 0.000 0.827 1076 A HN 0.142 nan 8.150 nan 0.000 0.457 1077 T N 0.051 114.562 114.554 -0.070 0.000 2.896 1077 T HA -0.079 4.271 4.350 -0.000 0.000 0.263 1077 T C 1.822 176.490 174.700 -0.053 0.000 1.050 1077 T CA 1.116 63.180 62.100 -0.060 0.000 1.140 1077 T CB -0.142 68.681 68.868 -0.076 0.000 0.877 1077 T HN 0.386 nan 8.240 nan 0.000 0.457 1078 Q N 0.674 120.439 119.800 -0.059 0.000 2.437 1078 Q HA 0.153 4.493 4.340 -0.000 0.000 0.210 1078 Q C 0.730 176.710 176.000 -0.034 0.000 0.972 1078 Q CA 0.374 56.150 55.803 -0.045 0.000 0.903 1078 Q CB -0.461 28.250 28.738 -0.044 0.000 0.967 1078 Q HN 0.565 nan 8.270 nan 0.000 0.486 1079 M N 2.045 121.624 119.600 -0.035 0.000 2.760 1079 M HA 0.009 4.489 4.480 -0.000 0.000 0.314 1079 M C -0.317 175.968 176.300 -0.026 0.000 1.582 1079 M CA 0.559 55.841 55.300 -0.030 0.000 1.484 1079 M CB -0.375 32.206 32.600 -0.032 0.000 1.621 1079 M HN -0.212 nan 8.290 nan 0.000 0.470 1080 T N 5.340 119.881 114.554 -0.022 0.000 2.728 1080 T HA 0.687 5.037 4.350 -0.000 0.000 0.296 1080 T C 0.031 174.720 174.700 -0.018 0.000 0.940 1080 T CA -0.160 61.928 62.100 -0.020 0.000 1.013 1080 T CB 0.674 69.531 68.868 -0.017 0.000 0.912 1080 T HN 0.515 nan 8.240 nan 0.000 0.484 1093 K N 2.629 123.030 120.400 0.001 0.000 2.502 1093 K HA 0.245 4.565 4.320 -0.000 0.000 0.244 1093 K C -0.249 176.348 176.600 -0.005 0.000 1.249 1093 K CA -0.071 56.213 56.287 -0.005 0.000 1.193 1093 K CB 0.710 33.206 32.500 -0.007 0.000 1.674 1093 K HN -0.108 nan 8.250 nan 0.000 0.302 1094 V N 0.050 119.960 119.914 -0.007 0.000 3.503 1094 V HA 0.059 4.179 4.120 -0.000 0.000 0.294 1094 V C 1.604 177.691 176.094 -0.011 0.000 1.102 1094 V CA -0.417 61.878 62.300 -0.008 0.000 0.979 1094 V CB 1.688 33.504 31.823 -0.011 0.000 1.240 1094 V HN 0.486 nan 8.190 nan 0.000 0.444 1095 T N -0.116 114.431 114.554 -0.011 0.000 2.995 1095 T HA 0.080 4.430 4.350 -0.000 0.000 0.269 1095 T C 0.611 175.303 174.700 -0.013 0.000 1.091 1095 T CA 1.128 63.223 62.100 -0.008 0.000 1.128 1095 T CB -0.079 68.788 68.868 -0.001 0.000 0.891 1095 T HN 0.730 nan 8.240 nan 0.000 0.492 1096 S N -1.173 114.516 115.700 -0.020 0.000 4.019 1096 S HA -0.030 4.440 4.470 -0.000 0.000 0.635 1096 S C 0.995 175.576 174.600 -0.031 0.000 1.684 1096 S CA -0.305 57.880 58.200 -0.025 0.000 2.024 1096 S CB -1.415 61.773 63.200 -0.020 0.000 0.327 1096 S HN 0.588 nan 8.310 nan 0.000 1.588 1097 G N 0.368 109.149 108.800 -0.031 0.000 2.964 1097 G HA2 0.391 4.351 3.960 -0.000 0.000 0.191 1097 G HA3 0.391 4.351 3.960 -0.000 0.000 0.191 1097 G C 1.347 176.232 174.900 -0.026 0.000 1.978 1097 G CA 0.627 45.706 45.100 -0.035 0.000 0.861 1097 G HN 1.007 nan 8.290 nan 0.000 0.584 1098 V N 3.370 123.271 119.914 -0.021 0.000 2.242 1098 V HA -0.213 3.907 4.120 -0.000 0.000 0.257 1098 V C 0.572 176.667 176.094 0.001 0.000 1.073 1098 V CA 2.910 65.203 62.300 -0.011 0.000 1.058 1098 V CB -1.543 30.274 31.823 -0.010 0.000 0.664 1098 V HN 0.508 nan 8.190 nan 0.000 0.451 1099 P HA -0.208 nan 4.420 nan 0.000 0.218 1099 P C 1.542 178.853 177.300 0.017 0.000 1.148 1099 P CA 1.854 64.961 63.100 0.012 0.000 0.822 1099 P CB -0.060 31.643 31.700 0.005 0.000 0.784 1100 R N 0.400 120.904 120.500 0.005 0.000 2.057 1100 R HA -0.070 4.270 4.340 -0.000 0.000 0.229 1100 R C 2.382 178.686 176.300 0.007 0.000 1.136 1100 R CA 1.035 57.138 56.100 0.005 0.000 0.952 1100 R CB -1.875 28.415 30.300 -0.016 0.000 0.848 1100 R HN 0.061 nan 8.270 nan 0.000 0.430 1101 L N 1.381 122.600 121.223 -0.007 0.000 2.013 1101 L HA -0.178 4.162 4.340 -0.000 0.000 0.212 1101 L C 2.154 179.041 176.870 0.028 0.000 1.073 1101 L CA 2.193 57.029 54.840 -0.007 0.000 0.753 1101 L CB -0.799 41.250 42.059 -0.017 0.000 0.890 1101 L HN 0.327 nan 8.230 nan 0.000 0.432 1102 K N -0.558 119.866 120.400 0.040 0.000 2.063 1102 K HA -0.281 4.039 4.320 -0.000 0.000 0.208 1102 K C 2.183 178.835 176.600 0.088 0.000 1.048 1102 K CA 2.004 58.334 56.287 0.070 0.000 0.928 1102 K CB -0.204 32.337 32.500 0.068 0.000 0.713 1102 K HN 0.539 nan 8.250 nan 0.000 0.442 1103 E N 0.331 120.577 120.200 0.077 0.000 2.153 1103 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 1103 E C 1.917 178.611 176.600 0.157 0.000 0.988 1103 E CA 1.183 57.644 56.400 0.101 0.000 0.811 1103 E CB 0.037 29.786 29.700 0.082 0.000 0.746 1103 E HN 0.352 nan 8.360 nan 0.000 0.466 1104 I N 0.276 120.925 120.570 0.133 0.000 2.193 1104 I HA -0.240 3.930 4.170 -0.000 0.000 0.240 1104 I C 2.159 178.410 176.117 0.223 0.000 1.084 1104 I CA 0.754 62.165 61.300 0.185 0.000 1.365 1104 I CB -0.191 37.810 38.000 0.001 0.000 1.064 1104 I HN 0.161 nan 8.210 nan 0.000 0.410 1105 L N 0.722 122.028 121.223 0.139 0.000 2.191 1105 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 1105 L C 1.992 178.961 176.870 0.165 0.000 1.103 1105 L CA 0.929 55.851 54.840 0.136 0.000 0.769 1105 L CB -0.682 41.430 42.059 0.089 0.000 0.908 1105 L HN 0.345 nan 8.230 nan 0.000 0.438 1106 N N -0.396 118.404 118.700 0.166 0.000 2.416 1106 N HA -0.022 4.718 4.740 -0.000 0.000 0.177 1106 N C 0.624 176.226 175.510 0.152 0.000 1.036 1106 N CA 0.378 53.526 53.050 0.164 0.000 0.901 1106 N CB 0.406 38.981 38.487 0.147 0.000 0.976 1106 N HN -0.034 nan 8.380 nan 0.000 0.444 1107 V N 0.782 120.801 119.914 0.175 0.000 6.016 1107 V HA -0.257 3.863 4.120 -0.000 0.000 0.265 1107 V C 0.250 176.364 176.094 0.033 0.000 0.621 1107 V CA 0.360 62.717 62.300 0.095 0.000 0.592 1107 V CB -2.365 29.481 31.823 0.038 0.000 0.298 1107 V HN 0.410 nan 8.190 nan 0.000 0.615 1108 A N 2.047 124.907 122.820 0.066 0.000 2.328 1108 A HA 0.675 4.995 4.320 -0.000 0.000 0.284 1108 A C 0.966 178.551 177.584 0.002 0.000 1.160 1108 A CA 0.244 52.305 52.037 0.039 0.000 0.818 1108 A CB 1.042 20.079 19.000 0.063 0.000 1.087 1108 A HN 0.618 nan 8.150 nan 0.000 0.504 1109 K N 2.012 122.403 120.400 -0.016 0.000 2.097 1109 K HA -0.082 4.238 4.320 -0.000 0.000 0.205 1109 K C 0.289 176.882 176.600 -0.012 0.000 1.050 1109 K CA 1.834 58.102 56.287 -0.031 0.000 0.938 1109 K CB 0.012 32.492 32.500 -0.033 0.000 0.718 1109 K HN 0.807 nan 8.250 nan 0.000 0.442 1110 N N 2.492 121.192 118.700 0.000 0.000 2.949 1110 N HA 0.101 4.841 4.740 -0.000 0.000 0.243 1110 N C -0.563 174.958 175.510 0.018 0.000 1.113 1110 N CA -0.194 52.859 53.050 0.005 0.000 0.980 1110 N CB 0.346 38.833 38.487 0.001 0.000 1.256 1110 N HN 0.203 nan 8.380 nan 0.000 0.508 1111 M N -0.730 118.887 119.600 0.028 0.000 2.217 1111 M HA 0.271 4.751 4.480 -0.000 0.000 0.354 1111 M C 0.960 177.275 176.300 0.024 0.000 1.225 1111 M CA -0.435 54.889 55.300 0.041 0.000 1.137 1111 M CB 1.420 34.062 32.600 0.069 0.000 1.576 1111 M HN 0.045 nan 8.290 nan 0.000 0.461 1112 K N 1.172 121.585 120.400 0.021 0.000 2.032 1112 K HA -0.103 4.217 4.320 -0.000 0.000 0.218 1112 K C 0.364 176.968 176.600 0.006 0.000 1.054 1112 K CA 1.785 58.078 56.287 0.011 0.000 0.941 1112 K CB -0.359 32.146 32.500 0.009 0.000 0.720 1112 K HN 0.748 nan 8.250 nan 0.000 0.449 1113 T N 1.577 116.136 114.554 0.008 0.000 2.799 1113 T HA 0.147 4.497 4.350 -0.000 0.000 0.286 1113 T C -1.922 172.780 174.700 0.003 0.000 0.973 1113 T CA -1.411 60.690 62.100 0.001 0.000 1.035 1113 T CB 1.993 70.859 68.868 -0.003 0.000 0.932 1113 T HN 0.140 nan 8.240 nan 0.000 0.469 1114 P HA 0.155 nan 4.420 nan 0.000 0.233 1114 P C 0.610 177.896 177.300 -0.023 0.000 1.119 1114 P CA 0.125 63.221 63.100 -0.005 0.000 0.951 1114 P CB 0.361 32.058 31.700 -0.006 0.000 1.004 1115 S N 0.075 115.760 115.700 -0.025 0.000 2.793 1115 S HA -0.095 4.375 4.470 -0.000 0.000 0.639 1115 S C -0.358 174.209 174.600 -0.055 0.000 3.153 1115 S CA 1.112 59.291 58.200 -0.034 0.000 3.348 1115 S CB -0.880 62.298 63.200 -0.035 0.000 0.330 1115 S HN 0.542 nan 8.310 nan 0.000 1.793 1116 L N -0.116 121.072 121.223 -0.059 0.000 4.439 1116 L HA 0.468 4.808 4.340 -0.000 0.000 0.261 1116 L C -0.622 176.221 176.870 -0.045 0.000 1.052 1116 L CA 0.127 54.926 54.840 -0.068 0.000 1.191 1116 L CB 0.510 42.548 42.059 -0.036 0.000 1.969 1116 L HN 0.553 nan 8.230 nan 0.000 0.580 1117 T N 4.390 118.918 114.554 -0.045 0.000 2.728 1117 T HA 0.643 4.993 4.350 -0.000 0.000 0.296 1117 T C 0.079 174.711 174.700 -0.114 0.000 0.940 1117 T CA 0.064 62.114 62.100 -0.084 0.000 1.013 1117 T CB 0.934 69.767 68.868 -0.059 0.000 0.912 1117 T HN 0.986 nan 8.240 nan 0.000 0.484 1118 V N 2.407 122.240 119.914 -0.135 0.000 2.370 1118 V HA 0.601 4.721 4.120 -0.000 0.000 0.283 1118 V C -0.918 175.105 176.094 -0.118 0.000 1.023 1118 V CA -1.165 61.104 62.300 -0.053 0.000 0.857 1118 V CB -0.117 31.712 31.823 0.010 0.000 0.985 1118 V HN 0.675 nan 8.190 nan 0.000 0.443 1119 Y N 4.037 124.396 120.300 0.098 0.000 2.307 1119 Y HA 0.611 5.160 4.550 -0.000 0.000 0.324 1119 Y C 0.687 176.639 175.900 0.085 0.000 1.238 1119 Y CA -0.587 57.570 58.100 0.095 0.000 1.280 1119 Y CB 1.009 39.534 38.460 0.108 0.000 1.248 1119 Y HN 0.530 nan 8.280 nan 0.000 0.508 1120 L N 0.663 122.033 121.223 0.244 0.000 2.347 1120 L HA 0.046 4.386 4.340 -0.000 0.000 0.172 1120 L C 0.457 177.434 176.870 0.178 0.000 1.009 1120 L CA 0.115 55.063 54.840 0.180 0.000 0.974 1120 L CB -0.148 42.019 42.059 0.179 0.000 1.427 1120 L HN 0.607 nan 8.230 nan 0.000 0.507 1121 E N -0.802 119.506 120.200 0.179 0.000 2.214 1121 E HA 0.216 4.566 4.350 -0.000 0.000 0.274 1121 E C -1.779 174.890 176.600 0.114 0.000 0.977 1121 E CA -1.625 54.872 56.400 0.160 0.000 0.827 1121 E CB 1.343 31.175 29.700 0.220 0.000 1.130 1121 E HN 0.227 nan 8.360 nan 0.000 0.394 1122 P HA -0.333 nan 4.420 nan 0.000 0.220 1122 P C 0.958 178.240 177.300 -0.030 0.000 0.849 1122 P CA 2.226 65.329 63.100 0.005 0.000 1.048 1122 P CB -0.078 31.612 31.700 -0.017 0.000 0.727 1123 G N -0.780 107.943 108.800 -0.129 0.000 2.511 1123 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 1123 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 1123 G C 0.288 175.101 174.900 -0.145 0.000 1.218 1123 G CA 0.671 45.653 45.100 -0.196 0.000 0.788 1123 G HN 0.447 nan 8.290 nan 0.000 0.560 1124 H N 1.532 120.626 119.070 0.039 0.000 3.327 1124 H HA 0.266 4.822 4.556 -0.000 0.000 0.229 1124 H C 0.940 176.312 175.328 0.073 0.000 0.895 1124 H CA 0.472 56.546 56.048 0.044 0.000 1.380 1124 H CB -0.052 29.730 29.762 0.033 0.000 1.545 1124 H HN 0.346 nan 8.280 nan 0.000 0.509 1125 A N 3.359 126.280 122.820 0.169 0.000 1.949 1125 A HA 0.417 4.736 4.320 -0.000 0.000 0.200 1125 A C 2.018 179.750 177.584 0.246 0.000 2.254 1125 A CA 0.378 52.526 52.037 0.185 0.000 1.206 1125 A CB -0.688 18.393 19.000 0.135 0.000 1.110 1125 A HN 0.546 nan 8.150 nan 0.000 0.628 1126 A N 0.093 123.045 122.820 0.220 0.000 2.259 1126 A HA 0.005 4.325 4.320 -0.000 0.000 0.212 1126 A C 0.437 178.144 177.584 0.206 0.000 1.178 1126 A CA 0.843 53.052 52.037 0.288 0.000 0.734 1126 A CB -0.729 18.386 19.000 0.192 0.000 0.774 1126 A HN 0.409 nan 8.150 nan 0.000 0.481 1127 D N 0.528 120.995 120.400 0.112 0.000 2.542 1127 D HA 0.029 4.669 4.640 -0.000 0.000 0.242 1127 D C 1.498 177.665 176.300 -0.220 0.000 1.207 1127 D CA 0.308 54.300 54.000 -0.012 0.000 1.172 1127 D CB 0.321 41.138 40.800 0.028 0.000 1.126 1127 D HN 0.539 nan 8.370 nan 0.000 0.500 1128 Q N 2.177 121.761 119.800 -0.360 0.000 2.142 1128 Q HA -0.288 4.052 4.340 -0.000 0.000 0.213 1128 Q C 1.624 177.264 176.000 -0.600 0.000 1.004 1128 Q CA 2.173 57.499 55.803 -0.795 0.000 0.883 1128 Q CB -0.080 28.366 28.738 -0.486 0.000 0.939 1128 Q HN 0.587 nan 8.270 nan 0.000 0.413 1129 E N -1.127 118.875 120.200 -0.329 0.000 2.046 1129 E HA -0.252 4.098 4.350 -0.000 0.000 0.190 1129 E C 1.991 178.465 176.600 -0.210 0.000 0.982 1129 E CA 1.020 57.274 56.400 -0.244 0.000 0.800 1129 E CB -0.200 29.404 29.700 -0.160 0.000 0.756 1129 E HN 0.459 nan 8.360 nan 0.000 0.449 1130 Q N 0.835 120.531 119.800 -0.174 0.000 2.242 1130 Q HA -0.237 4.103 4.340 -0.000 0.000 0.211 1130 Q C 1.644 177.563 176.000 -0.135 0.000 0.992 1130 Q CA 2.036 57.751 55.803 -0.147 0.000 0.889 1130 Q CB -0.483 28.190 28.738 -0.108 0.000 0.913 1130 Q HN 0.362 nan 8.270 nan 0.000 0.422 1131 A N 0.444 123.161 122.820 -0.172 0.000 1.845 1131 A HA -0.226 4.094 4.320 -0.000 0.000 0.215 1131 A C 1.961 179.467 177.584 -0.129 0.000 1.195 1131 A CA 1.785 53.743 52.037 -0.131 0.000 0.616 1131 A CB -0.571 18.314 19.000 -0.191 0.000 0.832 1131 A HN 0.454 nan 8.150 nan 0.000 0.443 1132 K N -0.310 119.980 120.400 -0.183 0.000 2.032 1132 K HA -0.215 4.105 4.320 -0.000 0.000 0.218 1132 K C 1.829 178.360 176.600 -0.114 0.000 1.054 1132 K CA 1.852 58.046 56.287 -0.155 0.000 0.941 1132 K CB -0.732 31.664 32.500 -0.174 0.000 0.720 1132 K HN 0.449 nan 8.250 nan 0.000 0.449 1133 L N 0.790 121.945 121.223 -0.113 0.000 2.151 1133 L HA -0.270 4.070 4.340 -0.000 0.000 0.215 1133 L C 2.278 179.106 176.870 -0.070 0.000 1.084 1133 L CA 1.317 56.102 54.840 -0.091 0.000 0.764 1133 L CB -0.566 41.432 42.059 -0.102 0.000 0.891 1133 L HN 0.289 nan 8.230 nan 0.000 0.435 1134 I N -1.776 118.756 120.570 -0.064 0.000 2.494 1134 I HA -0.147 4.023 4.170 -0.000 0.000 0.250 1134 I C 2.682 178.782 176.117 -0.028 0.000 1.112 1134 I CA 0.347 61.624 61.300 -0.038 0.000 1.438 1134 I CB -0.486 37.500 38.000 -0.023 0.000 1.111 1134 I HN 0.191 nan 8.210 nan 0.000 0.431 1135 R N 2.224 122.702 120.500 -0.036 0.000 2.154 1135 R HA -0.262 4.078 4.340 -0.000 0.000 0.236 1135 R C 2.280 178.571 176.300 -0.015 0.000 1.121 1135 R CA 2.892 58.979 56.100 -0.022 0.000 0.915 1135 R CB -0.708 29.562 30.300 -0.048 0.000 0.856 1135 R HN 0.454 nan 8.270 nan 0.000 0.431 1136 S N -0.631 115.046 115.700 -0.039 0.000 2.584 1136 S HA 0.004 4.474 4.470 -0.000 0.000 0.240 1136 S C 1.429 176.015 174.600 -0.023 0.000 0.975 1136 S CA 0.821 59.002 58.200 -0.033 0.000 0.949 1136 S CB 0.153 63.320 63.200 -0.055 0.000 0.761 1136 S HN 0.547 nan 8.310 nan 0.000 0.536 1137 A N 0.212 123.021 122.820 -0.018 0.000 2.343 1137 A HA 0.566 4.886 4.320 -0.000 0.000 0.223 1137 A C 1.602 179.189 177.584 0.005 0.000 1.214 1137 A CA -0.129 51.901 52.037 -0.012 0.000 0.900 1137 A CB -0.020 18.969 19.000 -0.018 0.000 0.942 1137 A HN 0.559 nan 8.150 nan 0.000 0.507 1138 I N -0.952 119.626 120.570 0.013 0.000 3.132 1138 I HA 0.089 4.259 4.170 -0.000 0.000 0.255 1138 I C 1.000 177.147 176.117 0.050 0.000 1.118 1138 I CA -0.076 61.240 61.300 0.028 0.000 1.463 1138 I CB -0.337 37.677 38.000 0.024 0.000 1.356 1138 I HN 0.320 nan 8.210 nan 0.000 0.463 1139 E N 2.680 122.911 120.200 0.053 0.000 2.765 1139 E HA -0.217 4.133 4.350 -0.000 0.000 0.256 1139 E C -0.136 176.524 176.600 0.099 0.000 0.935 1139 E CA 0.182 56.629 56.400 0.078 0.000 0.954 1139 E CB 0.199 29.950 29.700 0.084 0.000 0.908 1139 E HN 0.195 nan 8.360 nan 0.000 0.500 1140 H N 3.261 122.333 119.070 0.004 0.000 2.767 1140 H HA 0.202 4.757 4.556 -0.000 0.000 0.316 1140 H C -1.048 174.279 175.328 -0.002 0.000 1.059 1140 H CA 0.340 56.386 56.048 -0.003 0.000 1.461 1140 H CB 0.763 30.521 29.762 -0.006 0.000 1.475 1140 H HN 0.373 nan 8.280 nan 0.000 0.531 1141 T N 4.912 119.295 114.554 -0.285 0.000 2.841 1141 T HA 0.348 4.698 4.350 -0.000 0.000 0.285 1141 T C -0.677 173.823 174.700 -0.333 0.000 0.991 1141 T CA -0.867 61.102 62.100 -0.218 0.000 0.966 1141 T CB 0.981 69.783 68.868 -0.111 0.000 0.962 1141 T HN 0.718 nan 8.240 nan 0.000 0.438 1142 T N 1.157 115.567 114.554 -0.239 0.000 2.856 1142 T HA 0.453 4.803 4.350 -0.000 0.000 0.283 1142 T C 1.212 175.851 174.700 -0.102 0.000 1.008 1142 T CA -0.923 61.064 62.100 -0.188 0.000 0.997 1142 T CB 1.417 70.207 68.868 -0.129 0.000 0.992 1142 T HN 0.242 nan 8.240 nan 0.000 0.454 1143 L N 1.791 122.964 121.223 -0.083 0.000 2.089 1143 L HA -0.102 4.238 4.340 -0.000 0.000 0.213 1143 L C 2.452 179.299 176.870 -0.038 0.000 1.079 1143 L CA 1.975 56.781 54.840 -0.057 0.000 0.758 1143 L CB -0.858 41.179 42.059 -0.038 0.000 0.891 1143 L HN 0.930 nan 8.230 nan 0.000 0.433 1144 K N -0.889 119.494 120.400 -0.028 0.000 2.281 1144 K HA -0.150 4.170 4.320 -0.000 0.000 0.203 1144 K C 1.852 178.443 176.600 -0.016 0.000 1.046 1144 K CA 1.365 57.644 56.287 -0.014 0.000 0.938 1144 K CB -0.126 32.371 32.500 -0.004 0.000 0.737 1144 K HN 0.646 nan 8.250 nan 0.000 0.458 1145 S N -0.682 115.001 115.700 -0.028 0.000 2.558 1145 S HA -0.015 4.455 4.470 -0.000 0.000 0.217 1145 S C 1.368 175.955 174.600 -0.021 0.000 0.975 1145 S CA 0.416 58.603 58.200 -0.022 0.000 0.912 1145 S CB 0.469 63.651 63.200 -0.029 0.000 0.776 1145 S HN 0.203 nan 8.310 nan 0.000 0.526 1146 V N -2.601 117.297 119.914 -0.027 0.000 3.432 1146 V HA 0.356 4.476 4.120 -0.000 0.000 0.298 1146 V C 0.215 176.297 176.094 -0.021 0.000 1.464 1146 V CA -0.308 61.976 62.300 -0.026 0.000 1.046 1146 V CB -0.470 31.330 31.823 -0.039 0.000 0.887 1146 V HN 0.248 nan 8.190 nan 0.000 0.441 1147 T N 1.403 115.947 114.554 -0.016 0.000 2.856 1147 T HA 0.600 4.950 4.350 -0.000 0.000 0.292 1147 T C 1.039 175.738 174.700 -0.001 0.000 0.980 1147 T CA 0.029 62.124 62.100 -0.009 0.000 1.091 1147 T CB 2.229 71.094 68.868 -0.005 0.000 0.936 1147 T HN 0.166 nan 8.240 nan 0.000 0.503 1148 I N 1.155 121.727 120.570 0.003 0.000 3.081 1148 I HA 0.371 4.541 4.170 -0.000 0.000 0.274 1148 I C 1.025 177.151 176.117 0.015 0.000 1.178 1148 I CA 0.187 61.492 61.300 0.008 0.000 1.460 1148 I CB 0.263 38.269 38.000 0.010 0.000 1.137 1148 I HN 0.672 nan 8.210 nan 0.000 0.443 1149 A N 0.147 122.978 122.820 0.018 0.000 2.581 1149 A HA 0.558 4.878 4.320 -0.000 0.000 0.294 1149 A C -0.816 176.788 177.584 0.033 0.000 1.035 1149 A CA -0.459 51.594 52.037 0.027 0.000 0.684 1149 A CB 0.850 19.872 19.000 0.036 0.000 1.282 1149 A HN 0.061 nan 8.150 nan 0.000 0.417 1150 S N 0.552 116.276 115.700 0.039 0.000 2.532 1150 S HA 0.902 5.372 4.470 -0.000 0.000 0.301 1150 S C -0.698 173.949 174.600 0.079 0.000 1.083 1150 S CA -0.576 57.652 58.200 0.046 0.000 1.025 1150 S CB 1.840 65.059 63.200 0.032 0.000 1.056 1150 S HN 0.722 nan 8.310 nan 0.000 0.494 1151 E N 0.684 120.955 120.200 0.118 0.000 2.356 1151 E HA 0.492 4.842 4.350 -0.000 0.000 0.275 1151 E C -1.315 175.440 176.600 0.259 0.000 0.904 1151 E CA -0.695 55.835 56.400 0.217 0.000 0.757 1151 E CB 2.205 32.154 29.700 0.415 0.000 1.232 1151 E HN 0.685 nan 8.360 nan 0.000 0.442 1152 I N 2.679 123.411 120.570 0.270 0.000 2.464 1152 I HA 0.326 4.496 4.170 -0.000 0.000 0.277 1152 I C -0.893 175.475 176.117 0.419 0.000 1.040 1152 I CA -0.728 60.739 61.300 0.277 0.000 1.153 1152 I CB -0.016 38.044 38.000 0.099 0.000 1.274 1152 I HN 0.346 nan 8.210 nan 0.000 0.469 1153 Y N 3.778 124.203 120.300 0.208 0.000 2.344 1153 Y HA 0.278 4.828 4.550 -0.000 0.000 0.330 1153 Y C -0.224 175.936 175.900 0.433 0.000 1.330 1153 Y CA -0.914 57.342 58.100 0.261 0.000 1.479 1153 Y CB 0.458 39.005 38.460 0.145 0.000 1.428 1153 Y HN 0.398 nan 8.280 nan 0.000 0.544 1154 Y N 1.485 121.999 120.300 0.358 0.000 2.575 1154 Y HA 0.329 4.879 4.550 -0.000 0.000 0.326 1154 Y C -1.124 174.749 175.900 -0.045 0.000 0.979 1154 Y CA -0.807 57.290 58.100 -0.005 0.000 1.286 1154 Y CB 0.443 38.790 38.460 -0.188 0.000 1.093 1154 Y HN 0.515 nan 8.280 nan 0.000 0.501 1155 D N 8.641 128.741 120.400 -0.499 0.000 2.420 1155 D HA 0.239 4.879 4.640 -0.000 0.000 0.255 1155 D C -2.220 173.765 176.300 -0.525 0.000 1.185 1155 D CA -1.655 52.122 54.000 -0.372 0.000 0.904 1155 D CB 2.313 43.032 40.800 -0.135 0.000 1.102 1155 D HN 0.324 nan 8.370 nan 0.000 0.534 1156 P HA 0.023 nan 4.420 nan 0.000 0.235 1156 P C 0.177 177.345 177.300 -0.221 0.000 1.177 1156 P CA 0.219 63.046 63.100 -0.455 0.000 0.785 1156 P CB 0.741 32.197 31.700 -0.407 0.000 0.885 1157 D N 2.064 122.369 120.400 -0.157 0.000 2.468 1157 D HA 0.117 4.757 4.640 -0.000 0.000 0.218 1157 D C -1.374 174.883 176.300 -0.071 0.000 1.155 1157 D CA -2.507 51.442 54.000 -0.086 0.000 0.924 1157 D CB 0.554 41.327 40.800 -0.046 0.000 1.029 1157 D HN 0.081 nan 8.370 nan 0.000 0.515 1158 P HA -0.091 nan 4.420 nan 0.000 0.242 1158 P C 0.377 177.655 177.300 -0.037 0.000 1.198 1158 P CA 0.464 63.521 63.100 -0.072 0.000 0.756 1158 P CB 0.231 31.864 31.700 -0.111 0.000 0.911 1159 R N -0.566 119.940 120.500 0.010 0.000 2.476 1159 R HA 0.211 4.551 4.340 -0.000 0.000 0.276 1159 R C 0.336 176.708 176.300 0.120 0.000 0.941 1159 R CA 0.165 56.328 56.100 0.105 0.000 1.088 1159 R CB 0.644 31.030 30.300 0.143 0.000 1.216 1159 R HN 0.222 nan 8.270 nan 0.000 0.533 1160 S N -0.955 114.773 115.700 0.047 0.000 2.558 1160 S HA 0.371 4.840 4.470 -0.000 0.000 0.277 1160 S C -0.720 173.883 174.600 0.005 0.000 1.143 1160 S CA -0.792 57.433 58.200 0.041 0.000 0.865 1160 S CB 2.379 65.604 63.200 0.041 0.000 1.102 1160 S HN -0.110 nan 8.310 nan 0.000 0.454 1161 T N 1.617 116.175 114.554 0.007 0.000 2.940 1161 T HA 0.490 4.840 4.350 -0.000 0.000 0.288 1161 T C 0.859 175.571 174.700 0.020 0.000 1.033 1161 T CA -0.653 61.444 62.100 -0.005 0.000 1.033 1161 T CB 1.581 70.435 68.868 -0.024 0.000 1.079 1161 T HN 0.662 nan 8.240 nan 0.000 0.496 1162 V N 1.940 121.880 119.914 0.042 0.000 3.630 1162 V HA 0.196 4.316 4.120 -0.000 0.000 0.273 1162 V C 0.284 176.437 176.094 0.098 0.000 1.248 1162 V CA 0.681 63.027 62.300 0.076 0.000 1.170 1162 V CB -1.253 30.637 31.823 0.112 0.000 0.899 1162 V HN 0.599 nan 8.190 nan 0.000 0.457 1163 I N 1.634 122.247 120.570 0.071 0.000 2.406 1163 I HA 0.318 4.488 4.170 -0.000 0.000 0.290 1163 I C -1.052 175.088 176.117 0.038 0.000 0.999 1163 I CA -2.047 59.296 61.300 0.071 0.000 1.124 1163 I CB 2.178 40.197 38.000 0.032 0.000 1.289 1163 I HN -0.054 nan 8.210 nan 0.000 0.441 1164 P HA -0.200 nan 4.420 nan 0.000 0.210 1164 P C 0.883 178.196 177.300 0.022 0.000 1.189 1164 P CA 1.643 64.762 63.100 0.032 0.000 0.920 1164 P CB 0.155 31.876 31.700 0.034 0.000 0.782 1165 E N -0.317 119.895 120.200 0.021 0.000 2.394 1165 E HA -0.200 4.150 4.350 -0.000 0.000 0.202 1165 E C 0.843 177.443 176.600 0.001 0.000 1.029 1165 E CA 1.246 57.654 56.400 0.013 0.000 0.855 1165 E CB -0.633 29.076 29.700 0.014 0.000 0.770 1165 E HN 0.393 nan 8.360 nan 0.000 0.527 1166 D N -0.294 120.102 120.400 -0.006 0.000 2.369 1166 D HA 0.024 4.664 4.640 -0.000 0.000 0.211 1166 D C 1.136 177.433 176.300 -0.006 0.000 1.077 1166 D CA 0.062 54.050 54.000 -0.021 0.000 0.842 1166 D CB 0.291 41.059 40.800 -0.053 0.000 0.947 1166 D HN 0.172 nan 8.370 nan 0.000 0.509 1167 E N 0.729 120.936 120.200 0.013 0.000 2.051 1167 E HA -0.208 4.142 4.350 -0.000 0.000 0.192 1167 E C 1.639 178.266 176.600 0.045 0.000 0.991 1167 E CA 0.731 57.151 56.400 0.033 0.000 0.799 1167 E CB 0.034 29.756 29.700 0.037 0.000 0.748 1167 E HN 0.344 nan 8.360 nan 0.000 0.449 1168 E N 0.704 120.925 120.200 0.035 0.000 2.331 1168 E HA -0.190 4.160 4.350 -0.000 0.000 0.199 1168 E C 1.844 178.462 176.600 0.031 0.000 1.008 1168 E CA 0.585 57.009 56.400 0.040 0.000 0.843 1168 E CB 0.000 29.717 29.700 0.028 0.000 0.761 1168 E HN 0.287 nan 8.360 nan 0.000 0.507 1169 I N 0.405 120.977 120.570 0.004 0.000 2.617 1169 I HA -0.174 3.996 4.170 -0.000 0.000 0.256 1169 I C 1.966 178.046 176.117 -0.062 0.000 1.167 1169 I CA 0.478 61.759 61.300 -0.032 0.000 1.469 1169 I CB -0.061 37.907 38.000 -0.054 0.000 1.098 1169 I HN 0.169 nan 8.210 nan 0.000 0.436 1170 I N 0.074 120.619 120.570 -0.042 0.000 2.400 1170 I HA -0.182 3.988 4.170 -0.000 0.000 0.248 1170 I C 2.311 178.338 176.117 -0.151 0.000 1.109 1170 I CA 0.890 62.105 61.300 -0.141 0.000 1.425 1170 I CB -0.623 37.332 38.000 -0.074 0.000 1.094 1170 I HN 0.167 nan 8.210 nan 0.000 0.425 1171 Q N 1.221 121.160 119.800 0.233 0.000 2.234 1171 Q HA -0.128 4.212 4.340 -0.000 0.000 0.206 1171 Q C 2.306 178.518 176.000 0.352 0.000 0.980 1171 Q CA 1.289 57.409 55.803 0.527 0.000 0.869 1171 Q CB -0.169 28.735 28.738 0.277 0.000 0.912 1171 Q HN 0.584 nan 8.270 nan 0.000 0.436 1172 L N -1.098 120.201 121.223 0.127 0.000 2.240 1172 L HA -0.091 4.248 4.340 -0.000 0.000 0.211 1172 L C 2.054 178.940 176.870 0.027 0.000 1.106 1172 L CA 0.762 55.642 54.840 0.068 0.000 0.793 1172 L CB -0.209 41.861 42.059 0.017 0.000 0.927 1172 L HN 0.232 nan 8.230 nan 0.000 0.446 1173 H N -0.528 118.450 119.070 -0.153 0.000 2.548 1173 H HA 0.008 4.564 4.556 -0.000 0.000 0.268 1173 H C 1.854 177.085 175.328 -0.163 0.000 0.975 1173 H CA 0.594 56.520 56.048 -0.204 0.000 1.195 1173 H CB 0.075 29.671 29.762 -0.277 0.000 1.397 1173 H HN 0.132 nan 8.280 nan 0.000 0.572 1174 F N 0.727 120.657 119.950 -0.033 0.000 2.192 1174 F HA -0.224 4.303 4.527 -0.000 0.000 0.301 1174 F C 2.318 178.042 175.800 -0.126 0.000 1.079 1174 F CA 1.097 59.060 58.000 -0.060 0.000 1.303 1174 F CB -0.576 38.408 39.000 -0.027 0.000 1.024 1174 F HN 0.206 nan 8.300 nan 0.000 0.494 1175 S N 1.336 117.052 115.700 0.026 0.000 2.917 1175 S HA -0.063 4.407 4.470 -0.000 0.000 0.251 1175 S C 0.516 175.052 174.600 -0.106 0.000 1.003 1175 S CA -0.045 58.133 58.200 -0.036 0.000 1.045 1175 S CB -1.996 61.172 63.200 -0.053 0.000 0.809 1175 S HN 0.331 nan 8.310 nan 0.000 0.545 1188 Q N 1.373 121.132 119.800 -0.069 0.000 2.193 1188 Q HA 0.656 4.996 4.340 -0.000 0.000 0.246 1188 Q C -0.914 175.066 176.000 -0.033 0.000 0.959 1188 Q CA -0.465 55.305 55.803 -0.055 0.000 0.904 1188 Q CB 2.042 30.717 28.738 -0.104 0.000 1.238 1188 Q HN 0.246 nan 8.270 nan 0.000 0.469 1189 S N 0.788 116.489 115.700 0.001 0.000 2.586 1189 S HA 0.277 4.746 4.470 -0.000 0.000 0.274 1189 S C -1.740 172.828 174.600 -0.053 0.000 1.281 1189 S CA -1.699 56.513 58.200 0.019 0.000 1.035 1189 S CB 0.604 63.874 63.200 0.117 0.000 0.962 1189 S HN 0.470 nan 8.310 nan 0.000 0.512 1190 P HA 0.033 nan 4.420 nan 0.000 0.236 1190 P C -0.361 176.645 177.300 -0.490 0.000 1.177 1190 P CA 0.280 63.117 63.100 -0.438 0.000 0.773 1190 P CB -0.033 31.279 31.700 -0.646 0.000 0.878 1191 W N 1.178 122.432 121.300 -0.076 0.000 2.546 1191 W HA 0.300 4.960 4.660 -0.000 0.000 0.323 1191 W C 0.507 177.021 176.519 -0.008 0.000 1.272 1191 W CA -0.978 56.366 57.345 -0.003 0.000 1.404 1191 W CB 0.222 29.720 29.460 0.063 0.000 1.411 1191 W HN -0.092 nan 8.180 nan 0.000 0.480 1192 L N 5.498 126.900 121.223 0.300 0.000 2.375 1192 L HA 0.535 4.875 4.340 -0.000 0.000 0.271 1192 L C -0.818 176.154 176.870 0.170 0.000 1.107 1192 L CA -0.648 54.289 54.840 0.161 0.000 0.806 1192 L CB 0.760 42.866 42.059 0.077 0.000 1.146 1192 L HN 0.310 nan 8.230 nan 0.000 0.447 1193 L N 5.175 126.440 121.223 0.069 0.000 2.372 1193 L HA 0.564 4.904 4.340 -0.000 0.000 0.274 1193 L C -0.893 175.971 176.870 -0.009 0.000 0.988 1193 L CA -0.302 54.565 54.840 0.045 0.000 0.833 1193 L CB 1.192 43.258 42.059 0.012 0.000 1.236 1193 L HN 0.734 nan 8.230 nan 0.000 0.410 1194 R N 4.849 125.342 120.500 -0.012 0.000 2.494 1194 R HA 0.786 5.126 4.340 -0.000 0.000 0.305 1194 R C -1.684 174.607 176.300 -0.014 0.000 0.959 1194 R CA -0.538 55.525 56.100 -0.062 0.000 0.864 1194 R CB 1.139 31.321 30.300 -0.196 0.000 1.159 1194 R HN 0.749 nan 8.270 nan 0.000 0.446 1195 L N 3.384 124.596 121.223 -0.018 0.000 2.349 1195 L HA 0.439 4.779 4.340 -0.000 0.000 0.278 1195 L C -0.334 176.533 176.870 -0.004 0.000 0.996 1195 L CA -0.597 54.242 54.840 -0.003 0.000 0.825 1195 L CB 1.916 43.972 42.059 -0.005 0.000 1.243 1195 L HN 0.615 nan 8.230 nan 0.000 0.412 1196 E N 4.328 124.531 120.200 0.005 0.000 2.146 1196 E HA 0.496 4.846 4.350 -0.000 0.000 0.282 1196 E C -1.197 175.404 176.600 0.001 0.000 0.989 1196 E CA -0.553 55.850 56.400 0.005 0.000 0.799 1196 E CB 1.224 30.933 29.700 0.015 0.000 1.088 1196 E HN 0.490 nan 8.360 nan 0.000 0.397 1197 L N 2.745 123.966 121.223 -0.004 0.000 2.352 1197 L HA 0.363 4.703 4.340 -0.000 0.000 0.269 1197 L C 0.299 177.166 176.870 -0.006 0.000 1.034 1197 L CA -0.912 53.922 54.840 -0.010 0.000 0.806 1197 L CB 1.130 43.176 42.059 -0.023 0.000 1.244 1197 L HN 0.498 nan 8.230 nan 0.000 0.447 1198 D N 0.719 121.114 120.400 -0.008 0.000 2.280 1198 D HA 0.146 4.786 4.640 -0.000 0.000 0.243 1198 D C 0.801 177.096 176.300 -0.008 0.000 1.129 1198 D CA -0.164 53.833 54.000 -0.005 0.000 0.848 1198 D CB 1.589 42.388 40.800 -0.003 0.000 1.107 1198 D HN 0.409 nan 8.370 nan 0.000 0.471 1199 R N 2.809 123.306 120.500 -0.005 0.000 2.080 1199 R HA -0.184 4.156 4.340 -0.000 0.000 0.236 1199 R C 1.985 178.281 176.300 -0.006 0.000 1.137 1199 R CA 1.820 57.916 56.100 -0.006 0.000 0.943 1199 R CB -0.154 30.145 30.300 -0.002 0.000 0.846 1199 R HN 0.576 nan 8.270 nan 0.000 0.431 1200 A N 0.849 123.667 122.820 -0.003 0.000 1.869 1200 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 1200 A C 2.334 179.918 177.584 -0.001 0.000 1.203 1200 A CA 2.234 54.270 52.037 -0.001 0.000 0.638 1200 A CB -1.189 17.812 19.000 0.002 0.000 0.831 1200 A HN 0.545 nan 8.150 nan 0.000 0.450 1201 A N -1.765 121.054 122.820 -0.001 0.000 2.131 1201 A HA -0.099 4.221 4.320 -0.000 0.000 0.220 1201 A C 1.940 179.518 177.584 -0.010 0.000 1.158 1201 A CA 1.864 53.900 52.037 -0.002 0.000 0.665 1201 A CB -0.449 18.548 19.000 -0.005 0.000 0.795 1201 A HN 0.469 nan 8.150 nan 0.000 0.460 1202 M N -0.460 119.131 119.600 -0.015 0.000 2.556 1202 M HA 0.071 4.551 4.480 -0.000 0.000 0.245 1202 M C 0.897 177.182 176.300 -0.025 0.000 1.128 1202 M CA 0.548 55.832 55.300 -0.025 0.000 1.069 1202 M CB -0.785 31.798 32.600 -0.029 0.000 1.469 1202 M HN 0.411 nan 8.290 nan 0.000 0.494 1203 N N 0.026 118.716 118.700 -0.017 0.000 2.499 1203 N HA -0.076 4.664 4.740 -0.000 0.000 0.182 1203 N C 1.354 176.852 175.510 -0.020 0.000 1.034 1203 N CA 0.520 53.557 53.050 -0.020 0.000 0.882 1203 N CB -0.008 38.469 38.487 -0.015 0.000 1.125 1203 N HN 0.337 nan 8.380 nan 0.000 0.436 1204 D N 1.485 121.884 120.400 -0.003 0.000 2.126 1204 D HA -0.146 4.494 4.640 -0.000 0.000 0.190 1204 D C -0.189 176.111 176.300 0.000 0.000 1.001 1204 D CA 1.198 55.207 54.000 0.016 0.000 0.841 1204 D CB 0.237 41.070 40.800 0.055 0.000 0.949 1204 D HN 0.194 nan 8.370 nan 0.000 0.446 1205 K N 1.775 122.177 120.400 0.003 0.000 2.404 1205 K HA 0.139 4.459 4.320 -0.000 0.000 0.257 1205 K C -0.802 175.778 176.600 -0.033 0.000 1.026 1205 K CA -0.685 55.596 56.287 -0.009 0.000 0.951 1205 K CB 1.588 34.091 32.500 0.004 0.000 1.203 1205 K HN -0.005 nan 8.250 nan 0.000 0.446 1206 D N 3.131 123.503 120.400 -0.046 0.000 2.923 1206 D HA -0.102 4.538 4.640 -0.000 0.000 0.220 1206 D C -0.398 175.871 176.300 -0.052 0.000 1.099 1206 D CA 1.270 55.240 54.000 -0.050 0.000 0.807 1206 D CB 0.427 41.194 40.800 -0.056 0.000 1.155 1206 D HN 0.370 nan 8.370 nan 0.000 0.524 1207 L N 2.020 123.211 121.223 -0.053 0.000 2.556 1207 L HA 0.291 4.631 4.340 -0.000 0.000 0.257 1207 L C -0.444 176.385 176.870 -0.069 0.000 0.955 1207 L CA -0.645 54.155 54.840 -0.067 0.000 0.850 1207 L CB 2.611 44.627 42.059 -0.071 0.000 1.398 1207 L HN 0.151 nan 8.230 nan 0.000 0.412 1208 T N 2.183 116.682 114.554 -0.090 0.000 2.879 1208 T HA 0.286 4.636 4.350 -0.000 0.000 0.290 1208 T C 1.051 175.651 174.700 -0.166 0.000 0.993 1208 T CA -0.670 61.375 62.100 -0.093 0.000 0.975 1208 T CB 1.824 70.650 68.868 -0.069 0.000 0.981 1208 T HN 0.430 nan 8.240 nan 0.000 0.439 1209 M N 1.802 121.300 119.600 -0.171 0.000 2.116 1209 M HA -0.140 4.340 4.480 -0.000 0.000 0.255 1209 M C 2.455 178.355 176.300 -0.667 0.000 1.075 1209 M CA 2.086 57.185 55.300 -0.335 0.000 1.087 1209 M CB -1.784 30.709 32.600 -0.179 0.000 1.340 1209 M HN 0.846 nan 8.290 nan 0.000 0.402 1210 G N -0.004 108.551 108.800 -0.407 0.000 2.586 1210 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.218 1210 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.218 1210 G C 1.444 176.069 174.900 -0.459 0.000 1.216 1210 G CA 1.135 46.013 45.100 -0.371 0.000 0.786 1210 G HN 0.564 nan 8.290 nan 0.000 0.583 1211 Q N -0.188 119.447 119.800 -0.275 0.000 1.967 1211 Q HA -0.163 4.176 4.340 -0.000 0.000 0.210 1211 Q C 2.819 178.640 176.000 -0.298 0.000 1.005 1211 Q CA 2.008 57.678 55.803 -0.222 0.000 0.862 1211 Q CB -0.781 27.866 28.738 -0.152 0.000 0.939 1211 Q HN 0.320 nan 8.270 nan 0.000 0.417 1212 V N 0.870 120.597 119.914 -0.312 0.000 2.248 1212 V HA -0.387 3.733 4.120 -0.000 0.000 0.254 1212 V C 2.220 178.096 176.094 -0.363 0.000 1.050 1212 V CA 2.320 64.441 62.300 -0.298 0.000 1.063 1212 V CB -1.684 29.960 31.823 -0.299 0.000 0.688 1212 V HN 0.720 nan 8.190 nan 0.000 0.474 1213 G N -1.004 107.415 108.800 -0.635 0.000 2.491 1213 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.218 1213 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.218 1213 G C 1.387 176.031 174.900 -0.426 0.000 1.180 1213 G CA 1.008 45.721 45.100 -0.645 0.000 0.774 1213 G HN 0.563 nan 8.290 nan 0.000 0.562 1214 E N 0.176 120.057 120.200 -0.531 0.000 2.197 1214 E HA -0.241 4.109 4.350 -0.000 0.000 0.205 1214 E C 2.578 179.128 176.600 -0.083 0.000 1.029 1214 E CA 1.358 57.657 56.400 -0.169 0.000 0.828 1214 E CB -0.160 29.460 29.700 -0.133 0.000 0.737 1214 E HN 0.257 nan 8.360 nan 0.000 0.464 1215 R N 0.549 120.976 120.500 -0.122 0.000 2.055 1215 R HA 0.016 4.355 4.340 -0.000 0.000 0.228 1215 R C 2.493 178.782 176.300 -0.018 0.000 1.143 1215 R CA 1.012 57.071 56.100 -0.069 0.000 0.945 1215 R CB -0.815 29.432 30.300 -0.088 0.000 0.841 1215 R HN 0.160 nan 8.270 nan 0.000 0.429 1216 I N 0.750 121.316 120.570 -0.007 0.000 2.113 1216 I HA -0.412 3.758 4.170 -0.000 0.000 0.242 1216 I C 2.382 178.636 176.117 0.228 0.000 1.057 1216 I CA 1.977 63.354 61.300 0.129 0.000 1.314 1216 I CB -0.467 37.591 38.000 0.096 0.000 1.022 1216 I HN 0.223 nan 8.210 nan 0.000 0.408 1217 K N 1.105 121.591 120.400 0.145 0.000 2.063 1217 K HA -0.240 4.080 4.320 -0.000 0.000 0.208 1217 K C 2.116 178.810 176.600 0.156 0.000 1.048 1217 K CA 1.808 58.197 56.287 0.170 0.000 0.928 1217 K CB -0.109 32.489 32.500 0.163 0.000 0.713 1217 K HN 0.544 nan 8.250 nan 0.000 0.442 1218 Q N -1.130 118.724 119.800 0.090 0.000 2.444 1218 Q HA 0.010 4.349 4.340 -0.000 0.000 0.206 1218 Q C 0.720 176.723 176.000 0.006 0.000 0.948 1218 Q CA 1.011 56.844 55.803 0.050 0.000 0.946 1218 Q CB 0.438 29.191 28.738 0.024 0.000 1.027 1218 Q HN 0.095 nan 8.270 nan 0.000 0.513 1219 T N -0.338 114.215 114.554 -0.002 0.000 3.035 1219 T HA 0.112 4.462 4.350 -0.000 0.000 0.259 1219 T C 0.547 175.013 174.700 -0.390 0.000 1.078 1219 T CA 0.626 62.599 62.100 -0.211 0.000 1.132 1219 T CB 0.003 68.699 68.868 -0.287 0.000 0.900 1219 T HN 0.322 nan 8.240 nan 0.000 0.480 1220 F N 0.577 120.536 119.950 0.015 0.000 2.680 1220 F HA 0.407 4.934 4.527 -0.000 0.000 0.290 1220 F C 1.177 176.994 175.800 0.029 0.000 1.114 1220 F CA -0.474 57.540 58.000 0.023 0.000 1.333 1220 F CB 0.174 39.191 39.000 0.027 0.000 1.091 1220 F HN -0.079 nan 8.300 nan 0.000 0.606 1221 K N -0.135 120.391 120.400 0.210 0.000 4.789 1221 K HA -0.281 4.039 4.320 -0.000 0.000 0.215 1221 K C -0.620 176.063 176.600 0.137 0.000 1.488 1221 K CA 1.169 57.538 56.287 0.136 0.000 0.622 1221 K CB -1.323 31.232 32.500 0.091 0.000 0.708 1221 K HN 0.052 nan 8.250 nan 0.000 0.620 1222 N N 2.807 121.573 118.700 0.110 0.000 2.918 1222 N HA 0.173 4.913 4.740 -0.000 0.000 0.247 1222 N C -1.130 174.438 175.510 0.097 0.000 1.117 1222 N CA 0.558 53.667 53.050 0.099 0.000 1.005 1222 N CB 0.362 38.895 38.487 0.076 0.000 1.297 1222 N HN 0.536 nan 8.380 nan 0.000 0.513 1223 D N 0.733 121.198 120.400 0.108 0.000 4.386 1223 D HA -0.040 4.600 4.640 -0.000 0.000 0.140 1223 D C -0.847 175.496 176.300 0.072 0.000 0.722 1223 D CA -0.370 53.684 54.000 0.090 0.000 0.660 1223 D CB -1.055 39.801 40.800 0.093 0.000 1.649 1223 D HN 0.218 nan 8.370 nan 0.000 0.401 1224 L N 0.933 122.204 121.223 0.080 0.000 2.847 1224 L HA 0.457 4.797 4.340 -0.000 0.000 0.243 1224 L C -2.052 174.863 176.870 0.076 0.000 0.978 1224 L CA -0.693 54.160 54.840 0.021 0.000 1.030 1224 L CB 0.855 42.836 42.059 -0.130 0.000 1.351 1224 L HN 0.021 nan 8.230 nan 0.000 0.512 1225 F N 5.243 125.167 119.950 -0.044 0.000 2.504 1225 F HA 0.664 5.191 4.527 -0.000 0.000 0.369 1225 F C -0.424 175.336 175.800 -0.068 0.000 1.082 1225 F CA 0.185 58.152 58.000 -0.056 0.000 1.216 1225 F CB 0.722 39.676 39.000 -0.076 0.000 1.108 1225 F HN 0.226 nan 8.300 nan 0.000 0.554 1226 V N 7.451 126.935 119.914 -0.717 0.000 2.876 1226 V HA 0.556 4.676 4.120 -0.000 0.000 0.312 1226 V C -0.140 175.507 176.094 -0.745 0.000 1.085 1226 V CA -0.937 61.051 62.300 -0.521 0.000 0.945 1226 V CB 1.923 33.687 31.823 -0.098 0.000 1.017 1226 V HN 0.667 nan 8.190 nan 0.000 0.428 1227 I N 2.248 122.512 120.570 -0.510 0.000 3.042 1227 I HA 0.756 4.926 4.170 -0.000 0.000 0.310 1227 I C -1.470 174.566 176.117 -0.135 0.000 1.117 1227 I CA -0.597 60.340 61.300 -0.604 0.000 1.003 1227 I CB 2.620 40.270 38.000 -0.584 0.000 1.228 1227 I HN 0.912 nan 8.210 nan 0.000 0.443 1228 W N 1.519 122.706 121.300 -0.188 0.000 3.363 1228 W HA 0.660 5.320 4.660 -0.000 0.000 0.306 1228 W C -0.552 175.919 176.519 -0.081 0.000 1.253 1228 W CA -0.891 56.381 57.345 -0.121 0.000 1.195 1228 W CB -0.025 29.373 29.460 -0.104 0.000 1.366 1228 W HN 0.583 nan 8.180 nan 0.000 0.551 1229 S N 0.513 116.324 115.700 0.186 0.000 2.632 1229 S HA 0.412 4.882 4.470 -0.000 0.000 0.254 1229 S C -0.209 174.503 174.600 0.188 0.000 1.291 1229 S CA -0.275 57.991 58.200 0.110 0.000 0.974 1229 S CB 0.689 63.930 63.200 0.069 0.000 1.016 1229 S HN 0.652 nan 8.310 nan 0.000 0.579 1230 E N -0.299 119.969 120.200 0.113 0.000 2.244 1230 E HA 0.245 4.595 4.350 -0.000 0.000 0.266 1230 E C 0.134 176.779 176.600 0.074 0.000 0.914 1230 E CA -0.712 55.757 56.400 0.115 0.000 0.794 1230 E CB 1.204 30.952 29.700 0.079 0.000 1.210 1230 E HN 0.585 nan 8.360 nan 0.000 0.414 1231 D N 1.248 121.686 120.400 0.064 0.000 2.228 1231 D HA -0.206 4.434 4.640 -0.000 0.000 0.203 1231 D C 1.198 177.514 176.300 0.025 0.000 0.988 1231 D CA 0.971 54.991 54.000 0.033 0.000 0.864 1231 D CB 0.187 41.001 40.800 0.023 0.000 0.928 1231 D HN 0.390 nan 8.370 nan 0.000 0.469 1232 N N 1.186 119.904 118.700 0.030 0.000 2.062 1232 N HA -0.106 4.634 4.740 -0.000 0.000 0.191 1232 N C 0.240 175.763 175.510 0.021 0.000 1.042 1232 N CA 0.723 53.786 53.050 0.023 0.000 0.845 1232 N CB 0.001 38.503 38.487 0.024 0.000 1.024 1232 N HN 0.088 nan 8.380 nan 0.000 0.424 1233 D N 0.712 121.127 120.400 0.025 0.000 2.505 1233 D HA -0.162 4.478 4.640 -0.000 0.000 0.229 1233 D C 1.101 177.412 176.300 0.018 0.000 1.215 1233 D CA 0.629 54.642 54.000 0.022 0.000 0.880 1233 D CB 0.419 41.236 40.800 0.027 0.000 1.228 1233 D HN 0.546 nan 8.370 nan 0.000 0.497 1234 E N 0.358 120.567 120.200 0.015 0.000 2.478 1234 E HA -0.008 4.342 4.350 -0.000 0.000 0.194 1234 E C -0.028 176.580 176.600 0.012 0.000 1.045 1234 E CA 0.555 56.962 56.400 0.013 0.000 0.868 1234 E CB 0.393 30.100 29.700 0.012 0.000 0.885 1234 E HN 0.161 nan 8.360 nan 0.000 0.505 1235 K N 1.370 121.778 120.400 0.014 0.000 2.578 1235 K HA 0.351 4.671 4.320 -0.000 0.000 0.250 1235 K C -1.142 175.467 176.600 0.016 0.000 0.955 1235 K CA -0.553 55.742 56.287 0.013 0.000 0.825 1235 K CB 2.015 34.522 32.500 0.012 0.000 1.151 1235 K HN 0.064 nan 8.250 nan 0.000 0.432 1236 L N 5.304 126.535 121.223 0.013 0.000 2.290 1236 L HA 0.527 4.867 4.340 -0.000 0.000 0.284 1236 L C -0.076 176.802 176.870 0.013 0.000 1.078 1236 L CA -0.285 54.565 54.840 0.016 0.000 0.815 1236 L CB 0.347 42.408 42.059 0.004 0.000 1.162 1236 L HN 0.463 nan 8.230 nan 0.000 0.435 1237 I N 4.021 124.607 120.570 0.026 0.000 2.841 1237 I HA 0.416 4.586 4.170 -0.000 0.000 0.298 1237 I C -0.919 175.225 176.117 0.044 0.000 1.304 1237 I CA -0.440 60.869 61.300 0.015 0.000 1.019 1237 I CB 3.101 41.096 38.000 -0.009 0.000 1.282 1237 I HN 0.441 nan 8.210 nan 0.000 0.432 1238 I N 4.623 125.206 120.570 0.021 0.000 2.439 1238 I HA 0.426 4.596 4.170 -0.000 0.000 0.283 1238 I C -0.530 175.580 176.117 -0.012 0.000 1.023 1238 I CA -0.498 60.828 61.300 0.044 0.000 1.100 1238 I CB 1.509 39.527 38.000 0.029 0.000 1.238 1238 I HN 0.416 nan 8.210 nan 0.000 0.445 1239 R N 5.095 125.571 120.500 -0.039 0.000 2.474 1239 R HA 0.828 5.168 4.340 -0.000 0.000 0.295 1239 R C -1.024 175.218 176.300 -0.097 0.000 0.980 1239 R CA -0.586 55.467 56.100 -0.079 0.000 0.934 1239 R CB 1.817 32.056 30.300 -0.102 0.000 1.101 1239 R HN 0.776 nan 8.270 nan 0.000 0.469 1240 C N 0.036 119.294 119.300 -0.071 0.000 3.199 1240 C HA 0.541 5.001 4.460 -0.000 0.000 0.392 1240 C C -0.749 174.233 174.990 -0.013 0.000 1.050 1240 C CA -1.374 57.600 59.018 -0.073 0.000 1.222 1240 C CB 1.406 29.084 27.740 -0.104 0.000 1.595 1240 C HN 0.905 nan 8.230 nan 0.000 0.560 1241 R N 1.577 122.103 120.500 0.044 0.000 2.873 1241 R HA 0.883 5.223 4.340 -0.000 0.000 0.264 1241 R C -0.641 175.691 176.300 0.052 0.000 1.026 1241 R CA -0.695 55.445 56.100 0.068 0.000 1.002 1241 R CB 1.899 32.255 30.300 0.093 0.000 1.174 1241 R HN 0.632 nan 8.270 nan 0.000 0.488 1242 V N 1.180 121.124 119.914 0.050 0.000 3.036 1242 V HA 0.463 4.583 4.120 -0.000 0.000 0.308 1242 V C -0.036 176.089 176.094 0.051 0.000 1.070 1242 V CA -0.497 61.824 62.300 0.034 0.000 1.056 1242 V CB 1.704 33.551 31.823 0.040 0.000 1.084 1242 V HN 0.425 nan 8.190 nan 0.000 0.471 1243 V N 2.712 122.654 119.914 0.046 0.000 3.012 1243 V HA 0.707 4.827 4.120 -0.000 0.000 0.307 1243 V C -0.463 175.653 176.094 0.038 0.000 1.166 1243 V CA -0.800 61.523 62.300 0.039 0.000 0.974 1243 V CB 2.356 34.201 31.823 0.037 0.000 1.040 1243 V HN 0.950 nan 8.190 nan 0.000 0.428 1244 R N 1.487 122.004 120.500 0.029 0.000 2.712 1244 R HA 0.553 4.893 4.340 -0.000 0.000 0.272 1244 R C -2.730 173.580 176.300 0.017 0.000 1.032 1244 R CA -1.541 54.575 56.100 0.027 0.000 0.874 1244 R CB 1.304 31.623 30.300 0.032 0.000 1.256 1244 R HN 0.578 nan 8.270 nan 0.000 0.468 1255 E N 0.334 120.578 120.200 0.074 0.000 2.346 1255 E HA -0.159 4.191 4.350 -0.000 0.000 0.200 1255 E C 0.502 177.130 176.600 0.046 0.000 1.331 1255 E CA 0.758 57.190 56.400 0.053 0.000 0.668 1255 E CB -0.742 28.958 29.700 0.001 0.000 1.157 1255 E HN 0.777 nan 8.360 nan 0.000 0.393 1256 E N 0.387 120.621 120.200 0.057 0.000 2.122 1256 E HA -0.105 4.245 4.350 -0.000 0.000 0.190 1256 E C 1.138 177.619 176.600 -0.198 0.000 0.977 1256 E CA 0.480 56.891 56.400 0.019 0.000 0.820 1256 E CB 0.137 29.993 29.700 0.259 0.000 0.770 1256 E HN 0.403 nan 8.360 nan 0.000 0.462 1257 D N 0.555 120.677 120.400 -0.464 0.000 2.144 1257 D HA -0.170 4.470 4.640 -0.000 0.000 0.199 1257 D C 1.902 178.060 176.300 -0.236 0.000 0.984 1257 D CA 0.976 54.631 54.000 -0.574 0.000 0.834 1257 D CB -0.158 40.215 40.800 -0.712 0.000 0.955 1257 D HN 0.211 nan 8.370 nan 0.000 0.465 1258 H N 0.576 119.531 119.070 -0.192 0.000 2.389 1258 H HA 0.008 4.564 4.556 -0.000 0.000 0.299 1258 H C 1.960 177.241 175.328 -0.079 0.000 1.081 1258 H CA 0.845 56.827 56.048 -0.110 0.000 1.345 1258 H CB 0.010 29.730 29.762 -0.070 0.000 1.393 1258 H HN 0.146 nan 8.280 nan 0.000 0.520 1259 M N -0.109 119.555 119.600 0.106 0.000 2.248 1259 M HA -0.073 4.407 4.480 -0.000 0.000 0.265 1259 M C 1.223 177.535 176.300 0.019 0.000 1.079 1259 M CA 0.625 55.967 55.300 0.070 0.000 1.150 1259 M CB 0.043 32.670 32.600 0.045 0.000 1.366 1259 M HN 0.168 nan 8.290 nan 0.000 0.433 1260 L N 1.319 122.526 121.223 -0.028 0.000 2.855 1260 L HA 0.023 4.363 4.340 -0.000 0.000 0.257 1260 L C 1.031 177.871 176.870 -0.051 0.000 1.206 1260 L CA 1.205 56.021 54.840 -0.040 0.000 1.042 1260 L CB -1.058 40.977 42.059 -0.041 0.000 1.321 1260 L HN 0.272 nan 8.230 nan 0.000 0.417 1261 K N -1.728 118.649 120.400 -0.038 0.000 2.544 1261 K HA 0.156 4.476 4.320 -0.000 0.000 0.213 1261 K C 1.648 178.243 176.600 -0.009 0.000 1.392 1261 K CA 0.016 56.276 56.287 -0.045 0.000 0.980 1261 K CB 0.482 32.924 32.500 -0.097 0.000 1.177 1261 K HN 0.205 nan 8.250 nan 0.000 0.570 1262 K N 0.487 120.899 120.400 0.020 0.000 2.228 1262 K HA 0.112 4.432 4.320 -0.000 0.000 0.202 1262 K C 1.533 178.173 176.600 0.068 0.000 1.051 1262 K CA 0.813 57.130 56.287 0.049 0.000 0.960 1262 K CB 0.285 32.828 32.500 0.072 0.000 0.743 1262 K HN 0.123 nan 8.250 nan 0.000 0.458 1263 I N 0.895 121.498 120.570 0.054 0.000 3.030 1263 I HA -0.133 4.037 4.170 -0.000 0.000 0.270 1263 I C 2.301 178.453 176.117 0.059 0.000 1.211 1263 I CA 0.550 61.894 61.300 0.074 0.000 1.479 1263 I CB -0.002 37.970 38.000 -0.047 0.000 1.105 1263 I HN 0.143 nan 8.210 nan 0.000 0.447 1264 E N 2.100 122.316 120.200 0.026 0.000 2.085 1264 E HA -0.242 4.107 4.350 -0.000 0.000 0.194 1264 E C 1.729 178.353 176.600 0.041 0.000 0.994 1264 E CA 1.884 58.297 56.400 0.021 0.000 0.801 1264 E CB -0.113 29.588 29.700 0.003 0.000 0.743 1264 E HN 0.398 nan 8.360 nan 0.000 0.453 1265 N N -0.524 118.203 118.700 0.046 0.000 2.220 1265 N HA -0.046 4.693 4.740 -0.000 0.000 0.182 1265 N C 1.743 177.294 175.510 0.069 0.000 1.023 1265 N CA 1.683 54.761 53.050 0.047 0.000 0.856 1265 N CB -0.699 37.809 38.487 0.034 0.000 0.997 1265 N HN 0.208 nan 8.380 nan 0.000 0.429 1266 T N 1.751 116.364 114.554 0.098 0.000 2.848 1266 T HA -0.085 4.265 4.350 -0.000 0.000 0.269 1266 T C 1.842 176.623 174.700 0.135 0.000 1.081 1266 T CA 0.974 63.143 62.100 0.115 0.000 1.125 1266 T CB -0.040 68.935 68.868 0.178 0.000 0.848 1266 T HN 0.223 nan 8.240 nan 0.000 0.503 1267 M N -0.243 119.458 119.600 0.168 0.000 2.435 1267 M HA 0.192 4.672 4.480 -0.000 0.000 0.265 1267 M C 1.698 178.042 176.300 0.073 0.000 1.104 1267 M CA 0.990 56.386 55.300 0.160 0.000 1.140 1267 M CB -0.033 32.657 32.600 0.150 0.000 1.372 1267 M HN 0.251 nan 8.290 nan 0.000 0.456 1268 L N -1.027 120.228 121.223 0.053 0.000 2.529 1268 L HA -0.011 4.329 4.340 -0.000 0.000 0.223 1268 L C 1.201 178.084 176.870 0.022 0.000 1.113 1268 L CA 0.673 55.530 54.840 0.028 0.000 0.861 1268 L CB 0.070 42.144 42.059 0.024 0.000 1.012 1268 L HN 0.288 nan 8.230 nan 0.000 0.461 1269 E N -1.627 118.589 120.200 0.028 0.000 2.603 1269 E HA 0.092 4.442 4.350 -0.000 0.000 0.218 1269 E C 0.700 177.318 176.600 0.030 0.000 0.878 1269 E CA -0.143 56.274 56.400 0.029 0.000 1.348 1269 E CB 0.531 30.248 29.700 0.029 0.000 1.318 1269 E HN 0.205 nan 8.360 nan 0.000 0.673 1270 N N 0.725 119.435 118.700 0.018 0.000 2.270 1270 N HA 0.204 4.944 4.740 -0.000 0.000 0.198 1270 N C -0.431 175.066 175.510 -0.023 0.000 1.117 1270 N CA 0.324 53.375 53.050 0.000 0.000 0.845 1270 N CB 1.214 39.692 38.487 -0.016 0.000 0.980 1270 N HN 0.143 nan 8.380 nan 0.000 0.486 1271 I N 0.865 121.424 120.570 -0.018 0.000 2.406 1271 I HA 0.178 4.348 4.170 -0.000 0.000 0.290 1271 I C -0.545 175.536 176.117 -0.060 0.000 0.999 1271 I CA -0.204 61.071 61.300 -0.043 0.000 1.124 1271 I CB 1.706 39.687 38.000 -0.031 0.000 1.289 1271 I HN -0.206 nan 8.210 nan 0.000 0.441 1272 T N 6.914 121.425 114.554 -0.071 0.000 2.855 1272 T HA 0.401 4.750 4.350 -0.000 0.000 0.281 1272 T C 0.526 175.152 174.700 -0.122 0.000 1.007 1272 T CA -0.471 61.546 62.100 -0.138 0.000 1.009 1272 T CB 2.298 71.134 68.868 -0.053 0.000 0.983 1272 T HN 0.282 nan 8.240 nan 0.000 0.455 1273 L N 1.346 122.474 121.223 -0.157 0.000 2.296 1273 L HA 0.459 4.799 4.340 -0.000 0.000 0.193 1273 L C 1.084 177.897 176.870 -0.095 0.000 1.123 1273 L CA 1.048 55.818 54.840 -0.118 0.000 0.805 1273 L CB -0.170 41.817 42.059 -0.120 0.000 1.004 1273 L HN 0.414 nan 8.230 nan 0.000 0.478 1274 R N -1.284 119.155 120.500 -0.101 0.000 2.750 1274 R HA 0.574 4.914 4.340 -0.000 0.000 0.281 1274 R C -0.626 175.655 176.300 -0.032 0.000 0.972 1274 R CA -0.005 56.059 56.100 -0.058 0.000 0.912 1274 R CB 1.850 32.119 30.300 -0.052 0.000 1.187 1274 R HN 0.314 nan 8.270 nan 0.000 0.464 1275 G N 0.364 109.172 108.800 0.015 0.000 2.566 1275 G HA2 -0.128 3.831 3.960 -0.000 0.000 0.599 1275 G HA3 -0.128 3.831 3.960 -0.000 0.000 0.599 1275 G C -1.552 173.420 174.900 0.120 0.000 1.292 1275 G CA -0.682 44.460 45.100 0.070 0.000 0.922 1275 G HN 0.489 nan 8.290 nan 0.000 0.514 1276 V N 0.708 120.696 119.914 0.124 0.000 2.604 1276 V HA 0.610 4.730 4.120 -0.000 0.000 0.305 1276 V C 0.788 176.882 176.094 -0.001 0.000 1.043 1276 V CA -0.129 62.216 62.300 0.074 0.000 0.888 1276 V CB 1.390 33.229 31.823 0.027 0.000 0.995 1276 V HN 1.289 nan 8.190 nan 0.000 0.429 1277 E N 4.081 124.213 120.200 -0.113 0.000 2.492 1277 E HA -0.076 4.274 4.350 -0.000 0.000 0.266 1277 E C 0.563 177.001 176.600 -0.271 0.000 1.187 1277 E CA 0.421 56.589 56.400 -0.387 0.000 1.036 1277 E CB 0.038 29.594 29.700 -0.241 0.000 0.994 1277 E HN 0.650 nan 8.360 nan 0.000 0.468 1278 N N -0.538 117.978 118.700 -0.307 0.000 2.626 1278 N HA -0.261 4.479 4.740 -0.000 0.000 0.225 1278 N C 0.071 175.517 175.510 -0.108 0.000 0.854 1278 N CA 2.032 54.984 53.050 -0.162 0.000 1.911 1278 N CB -1.265 37.163 38.487 -0.099 0.000 0.892 1278 N HN 0.613 nan 8.380 nan 0.000 0.558 1279 I N 3.018 123.534 120.570 -0.090 0.000 2.352 1279 I HA -0.007 4.163 4.170 -0.000 0.000 0.303 1279 I C 1.385 177.509 176.117 0.012 0.000 1.194 1279 I CA 0.318 61.602 61.300 -0.027 0.000 1.518 1279 I CB -0.132 37.865 38.000 -0.005 0.000 1.489 1279 I HN 0.148 nan 8.210 nan 0.000 0.702 1280 E N 5.438 125.642 120.200 0.007 0.000 4.428 1280 E HA 0.135 4.485 4.350 -0.000 0.000 0.575 1280 E C 0.401 177.016 176.600 0.025 0.000 0.701 1280 E CA -0.617 55.803 56.400 0.033 0.000 3.828 1280 E CB 0.247 29.955 29.700 0.013 0.000 2.242 1280 E HN 0.460 nan 8.360 nan 0.000 0.355 1281 R N -0.124 120.373 120.500 -0.004 0.000 2.445 1281 R HA -0.075 4.265 4.340 -0.000 0.000 0.276 1281 R C -0.854 175.456 176.300 0.017 0.000 0.960 1281 R CA 0.208 56.290 56.100 -0.030 0.000 1.087 1281 R CB -0.211 30.049 30.300 -0.066 0.000 0.848 1281 R HN 0.109 nan 8.270 nan 0.000 0.429 1282 V N 2.948 122.901 119.914 0.065 0.000 2.610 1282 V HA 0.271 4.391 4.120 -0.000 0.000 0.298 1282 V C -0.311 175.879 176.094 0.161 0.000 1.067 1282 V CA -0.787 61.570 62.300 0.094 0.000 0.894 1282 V CB 1.974 33.853 31.823 0.092 0.000 1.015 1282 V HN 0.524 nan 8.190 nan 0.000 0.432 1283 V N 4.602 124.579 119.914 0.105 0.000 3.019 1283 V HA 0.607 4.727 4.120 -0.000 0.000 0.317 1283 V C -0.028 176.112 176.094 0.077 0.000 1.094 1283 V CA -0.850 61.526 62.300 0.126 0.000 1.000 1283 V CB 2.285 34.165 31.823 0.096 0.000 1.060 1283 V HN 0.785 nan 8.190 nan 0.000 0.443 1284 M N 2.895 122.560 119.600 0.109 0.000 2.472 1284 M HA 0.655 5.135 4.480 -0.000 0.000 0.331 1284 M C -0.943 175.425 176.300 0.114 0.000 1.170 1284 M CA -0.335 55.063 55.300 0.163 0.000 1.009 1284 M CB 1.769 34.547 32.600 0.298 0.000 1.672 1284 M HN 0.397 nan 8.290 nan 0.000 0.453 1285 M N 1.873 121.468 119.600 -0.008 0.000 2.413 1285 M HA 0.316 4.796 4.480 -0.000 0.000 0.287 1285 M C -1.272 174.698 176.300 -0.550 0.000 1.186 1285 M CA -0.536 54.592 55.300 -0.287 0.000 0.927 1285 M CB 2.509 34.860 32.600 -0.414 0.000 1.715 1285 M HN 0.563 nan 8.290 nan 0.000 0.478 1286 K N 2.877 122.887 120.400 -0.650 0.000 2.290 1286 K HA 0.398 4.718 4.320 -0.000 0.000 0.250 1286 K C -1.202 175.277 176.600 -0.202 0.000 1.092 1286 K CA -0.064 55.789 56.287 -0.723 0.000 1.006 1286 K CB 0.432 32.365 32.500 -0.946 0.000 1.549 1286 K HN 0.582 nan 8.250 nan 0.000 0.436 1287 Y N 1.117 121.315 120.300 -0.170 0.000 2.314 1287 Y HA 0.047 4.597 4.550 -0.000 0.000 0.334 1287 Y C 0.695 176.572 175.900 -0.038 0.000 1.266 1287 Y CA -1.067 56.999 58.100 -0.057 0.000 1.391 1287 Y CB 0.891 39.373 38.460 0.036 0.000 1.306 1287 Y HN 0.387 nan 8.280 nan 0.000 0.558 1288 D N 2.804 123.289 120.400 0.141 0.000 2.249 1288 D HA 0.178 4.817 4.640 -0.000 0.000 0.246 1288 D C -0.432 175.924 176.300 0.092 0.000 1.114 1288 D CA -0.125 53.921 54.000 0.076 0.000 0.854 1288 D CB 1.386 42.207 40.800 0.036 0.000 1.132 1288 D HN 0.368 nan 8.370 nan 0.000 0.461 1289 R N 2.696 123.253 120.500 0.095 0.000 2.500 1289 R HA 0.172 4.512 4.340 -0.000 0.000 0.299 1289 R C -0.640 175.716 176.300 0.092 0.000 1.038 1289 R CA -0.667 55.492 56.100 0.098 0.000 0.903 1289 R CB 1.112 31.482 30.300 0.117 0.000 1.177 1289 R HN 0.239 nan 8.270 nan 0.000 0.455 1290 K N 2.318 122.783 120.400 0.109 0.000 2.295 1290 K HA 0.381 4.701 4.320 -0.000 0.000 0.270 1290 K C -0.634 176.083 176.600 0.195 0.000 1.011 1290 K CA -0.329 56.057 56.287 0.165 0.000 0.953 1290 K CB 1.590 34.208 32.500 0.197 0.000 0.956 1290 K HN 0.216 nan 8.250 nan 0.000 0.477 1291 V N 3.197 123.199 119.914 0.147 0.000 3.225 1291 V HA 0.167 4.286 4.120 -0.000 0.000 0.293 1291 V C -2.612 173.319 176.094 -0.273 0.000 1.405 1291 V CA -1.975 60.308 62.300 -0.028 0.000 1.038 1291 V CB 2.476 34.286 31.823 -0.020 0.000 1.123 1291 V HN 0.601 nan 8.190 nan 0.000 0.447 1292 P HA 0.076 nan 4.420 nan 0.000 0.258 1292 P C -0.225 176.930 177.300 -0.242 0.000 1.214 1292 P CA 0.749 63.553 63.100 -0.494 0.000 0.872 1292 P CB 0.235 31.697 31.700 -0.396 0.000 0.890 1293 S N 5.773 121.361 115.700 -0.187 0.000 2.576 1293 S HA 0.122 4.592 4.470 -0.000 0.000 0.272 1293 S C -0.709 173.839 174.600 -0.087 0.000 1.352 1293 S CA -1.217 56.927 58.200 -0.093 0.000 1.021 1293 S CB -0.058 63.111 63.200 -0.051 0.000 0.887 1293 S HN 0.304 nan 8.310 nan 0.000 0.542 1294 P HA -0.110 nan 4.420 nan 0.000 0.215 1294 P C 1.505 178.781 177.300 -0.041 0.000 1.153 1294 P CA 1.669 64.740 63.100 -0.048 0.000 0.853 1294 P CB -0.560 31.122 31.700 -0.030 0.000 0.788 1295 T N -2.665 111.872 114.554 -0.028 0.000 2.977 1295 T HA 0.077 4.427 4.350 -0.000 0.000 0.271 1295 T C 1.477 176.168 174.700 -0.015 0.000 1.105 1295 T CA 2.083 64.176 62.100 -0.013 0.000 1.116 1295 T CB -0.782 68.086 68.868 0.000 0.000 0.878 1295 T HN 0.351 nan 8.240 nan 0.000 0.509 1296 G N 0.240 109.015 108.800 -0.043 0.000 2.481 1296 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.200 1296 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.200 1296 G C -0.102 174.772 174.900 -0.043 0.000 1.012 1296 G CA -0.048 45.022 45.100 -0.050 0.000 0.676 1296 G HN 0.654 nan 8.290 nan 0.000 0.488 1297 E N -0.232 119.962 120.200 -0.009 0.000 2.409 1297 E HA 0.490 4.840 4.350 -0.000 0.000 0.257 1297 E C -0.745 175.858 176.600 0.004 0.000 1.150 1297 E CA -0.334 56.091 56.400 0.041 0.000 0.942 1297 E CB 0.769 30.498 29.700 0.049 0.000 0.979 1297 E HN 0.313 nan 8.360 nan 0.000 0.447 1298 Y N 0.298 120.603 120.300 0.008 0.000 2.328 1298 Y HA 0.364 4.913 4.550 -0.000 0.000 0.337 1298 Y C -0.353 175.554 175.900 0.011 0.000 1.008 1298 Y CA -0.385 57.720 58.100 0.008 0.000 1.129 1298 Y CB 1.135 39.601 38.460 0.010 0.000 1.185 1298 Y HN 0.164 nan 8.280 nan 0.000 0.476 1299 V N 3.283 123.263 119.914 0.111 0.000 3.078 1299 V HA 0.316 4.436 4.120 -0.000 0.000 0.311 1299 V C -0.910 175.230 176.094 0.077 0.000 1.138 1299 V CA -1.983 60.368 62.300 0.085 0.000 1.007 1299 V CB 2.292 34.142 31.823 0.045 0.000 1.045 1299 V HN 0.531 nan 8.190 nan 0.000 0.432 1300 K N 2.341 122.780 120.400 0.065 0.000 2.361 1300 K HA 0.134 4.454 4.320 -0.000 0.000 0.283 1300 K C 0.003 176.631 176.600 0.048 0.000 1.078 1300 K CA 0.441 56.762 56.287 0.056 0.000 1.041 1300 K CB 0.310 32.836 32.500 0.044 0.000 0.932 1300 K HN 0.668 nan 8.250 nan 0.000 0.462 1301 E N 5.292 125.523 120.200 0.052 0.000 3.303 1301 E HA 0.131 4.481 4.350 -0.000 0.000 0.215 1301 E C -2.241 174.394 176.600 0.057 0.000 1.181 1301 E CA -2.097 54.332 56.400 0.048 0.000 0.998 1301 E CB 0.563 30.286 29.700 0.039 0.000 1.312 1301 E HN 0.355 nan 8.360 nan 0.000 0.412 1302 P HA -0.108 nan 4.420 nan 0.000 0.269 1302 P C -0.743 176.589 177.300 0.054 0.000 1.205 1302 P CA 0.602 63.724 63.100 0.036 0.000 0.780 1302 P CB 0.612 32.303 31.700 -0.015 0.000 0.858 1303 E N 0.002 120.231 120.200 0.050 0.000 2.366 1303 E HA 0.427 4.777 4.350 -0.000 0.000 0.278 1303 E C -1.456 175.171 176.600 0.045 0.000 0.923 1303 E CA -0.985 55.485 56.400 0.117 0.000 0.761 1303 E CB 0.619 30.422 29.700 0.172 0.000 1.231 1303 E HN 0.253 nan 8.360 nan 0.000 0.443 1304 W N 1.508 122.829 121.300 0.034 0.000 2.237 1304 W HA 0.525 5.185 4.660 -0.000 0.000 0.335 1304 W C -0.467 176.013 176.519 -0.064 0.000 1.230 1304 W CA 0.009 57.335 57.345 -0.031 0.000 1.253 1304 W CB 1.432 30.877 29.460 -0.025 0.000 1.129 1304 W HN 0.341 nan 8.180 nan 0.000 0.590 1305 V N 3.081 123.010 119.914 0.024 0.000 3.147 1305 V HA 0.409 4.529 4.120 -0.000 0.000 0.306 1305 V C -0.493 175.513 176.094 -0.147 0.000 1.209 1305 V CA -1.386 60.838 62.300 -0.126 0.000 1.023 1305 V CB 1.747 33.339 31.823 -0.385 0.000 1.059 1305 V HN 0.275 nan 8.190 nan 0.000 0.435 1306 L N 1.925 123.071 121.223 -0.127 0.000 2.322 1306 L HA 0.655 4.995 4.340 -0.000 0.000 0.279 1306 L C -0.137 176.667 176.870 -0.111 0.000 1.036 1306 L CA -0.436 54.356 54.840 -0.080 0.000 0.807 1306 L CB 1.340 43.380 42.059 -0.032 0.000 1.226 1306 L HN 0.634 nan 8.230 nan 0.000 0.433 1307 E N 1.266 121.429 120.200 -0.062 0.000 2.187 1307 E HA 0.330 4.680 4.350 -0.000 0.000 0.268 1307 E C -0.637 175.957 176.600 -0.010 0.000 0.896 1307 E CA -0.399 55.979 56.400 -0.037 0.000 0.766 1307 E CB 2.816 32.509 29.700 -0.011 0.000 1.142 1307 E HN 0.533 nan 8.360 nan 0.000 0.408 1308 T N 0.476 115.023 114.554 -0.012 0.000 2.973 1308 T HA 0.137 4.487 4.350 -0.000 0.000 0.308 1308 T C -0.088 174.610 174.700 -0.004 0.000 1.177 1308 T CA -0.059 62.039 62.100 -0.003 0.000 0.938 1308 T CB 0.498 69.361 68.868 -0.007 0.000 1.791 1308 T HN 0.480 nan 8.240 nan 0.000 0.581 1309 D N -0.827 119.570 120.400 -0.006 0.000 3.048 1309 D HA 0.258 4.898 4.640 -0.000 0.000 0.290 1309 D C -0.231 176.062 176.300 -0.013 0.000 1.667 1309 D CA 0.009 54.004 54.000 -0.009 0.000 0.835 1309 D CB 0.190 40.984 40.800 -0.010 0.000 1.438 1309 D HN 0.726 nan 8.370 nan 0.000 0.463 1310 G N -0.460 108.331 108.800 -0.015 0.000 2.559 1310 G HA2 0.505 4.465 3.960 -0.000 0.000 0.291 1310 G HA3 0.505 4.465 3.960 -0.000 0.000 0.291 1310 G C -1.684 173.204 174.900 -0.020 0.000 1.424 1310 G CA -0.351 44.736 45.100 -0.021 0.000 0.786 1310 G HN -0.048 nan 8.290 nan 0.000 0.485 1311 V N 1.621 121.522 119.914 -0.022 0.000 2.509 1311 V HA 0.512 4.632 4.120 -0.000 0.000 0.289 1311 V C -0.794 175.291 176.094 -0.015 0.000 1.026 1311 V CA -0.945 61.346 62.300 -0.015 0.000 0.872 1311 V CB 1.600 33.417 31.823 -0.010 0.000 1.017 1311 V HN 0.730 nan 8.190 nan 0.000 0.436 1312 N N 4.203 122.897 118.700 -0.010 0.000 2.750 1312 N HA 0.190 4.930 4.740 -0.000 0.000 0.253 1312 N C 0.411 175.925 175.510 0.007 0.000 1.408 1312 N CA -0.352 52.693 53.050 -0.008 0.000 0.780 1312 N CB 1.573 40.048 38.487 -0.020 0.000 1.191 1312 N HN 0.539 nan 8.380 nan 0.000 0.511 1313 L N 2.663 123.895 121.223 0.016 0.000 1.943 1313 L HA -0.166 4.174 4.340 -0.000 0.000 0.215 1313 L C 2.352 179.241 176.870 0.031 0.000 1.074 1313 L CA 2.452 57.312 54.840 0.032 0.000 0.759 1313 L CB -1.074 41.012 42.059 0.045 0.000 0.888 1313 L HN 0.603 nan 8.230 nan 0.000 0.433 1314 S N -1.595 114.121 115.700 0.026 0.000 2.453 1314 S HA -0.305 4.165 4.470 -0.000 0.000 0.250 1314 S C 1.554 176.166 174.600 0.021 0.000 1.044 1314 S CA 1.983 60.197 58.200 0.023 0.000 1.010 1314 S CB -0.690 62.520 63.200 0.016 0.000 0.793 1314 S HN 0.748 nan 8.310 nan 0.000 0.493 1315 E N -0.054 120.157 120.200 0.018 0.000 2.357 1315 E HA 0.161 4.511 4.350 -0.000 0.000 0.202 1315 E C 1.708 178.321 176.600 0.021 0.000 0.855 1315 E CA 0.515 56.925 56.400 0.017 0.000 1.048 1315 E CB 0.110 29.816 29.700 0.010 0.000 1.037 1315 E HN 0.344 nan 8.360 nan 0.000 0.499 1316 V N 1.966 121.893 119.914 0.022 0.000 3.186 1316 V HA -0.194 3.926 4.120 -0.000 0.000 0.270 1316 V C 2.080 178.196 176.094 0.036 0.000 1.149 1316 V CA 1.292 63.608 62.300 0.027 0.000 1.160 1316 V CB -0.487 31.351 31.823 0.025 0.000 0.758 1316 V HN 0.302 nan 8.190 nan 0.000 0.516 1317 M N 0.955 120.579 119.600 0.039 0.000 2.248 1317 M HA -0.080 4.400 4.480 -0.000 0.000 0.265 1317 M C 2.233 178.558 176.300 0.043 0.000 1.079 1317 M CA 1.830 57.159 55.300 0.049 0.000 1.150 1317 M CB -0.059 32.572 32.600 0.052 0.000 1.366 1317 M HN 0.544 nan 8.290 nan 0.000 0.433 1318 T N -0.980 113.595 114.554 0.033 0.000 3.308 1318 T HA 0.112 4.462 4.350 -0.000 0.000 0.255 1318 T C 0.331 175.047 174.700 0.026 0.000 1.162 1318 T CA -0.184 61.933 62.100 0.029 0.000 1.031 1318 T CB -1.039 67.842 68.868 0.022 0.000 0.973 1318 T HN 0.084 nan 8.240 nan 0.000 0.544 1319 V N 4.284 124.215 119.914 0.029 0.000 2.583 1319 V HA 0.335 4.455 4.120 -0.000 0.000 0.287 1319 V C -1.751 174.359 176.094 0.027 0.000 1.051 1319 V CA -2.004 60.310 62.300 0.024 0.000 1.010 1319 V CB 1.031 32.867 31.823 0.023 0.000 0.988 1319 V HN 0.408 nan 8.190 nan 0.000 0.478 1320 P HA 0.341 nan 4.420 nan 0.000 0.281 1320 P C 0.603 177.911 177.300 0.013 0.000 1.252 1320 P CA 0.638 63.749 63.100 0.018 0.000 0.778 1320 P CB 1.408 33.113 31.700 0.008 0.000 0.895 1321 G N 3.082 111.900 108.800 0.030 0.000 2.307 1321 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.210 1321 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.210 1321 G C 0.137 175.079 174.900 0.069 0.000 1.005 1321 G CA 0.120 45.236 45.100 0.027 0.000 0.634 1321 G HN 0.709 nan 8.290 nan 0.000 0.496 1322 I N -1.142 119.471 120.570 0.071 0.000 2.793 1322 I HA 0.757 4.927 4.170 -0.000 0.000 0.313 1322 I C -0.815 175.367 176.117 0.107 0.000 0.998 1322 I CA -1.004 60.354 61.300 0.097 0.000 1.140 1322 I CB 1.791 39.843 38.000 0.086 0.000 1.327 1322 I HN -0.062 nan 8.210 nan 0.000 0.491 1323 D N 5.465 125.947 120.400 0.135 0.000 2.456 1323 D HA 0.254 4.894 4.640 -0.000 0.000 0.219 1323 D C -1.837 174.533 176.300 0.117 0.000 1.126 1323 D CA -2.071 52.000 54.000 0.118 0.000 0.890 1323 D CB 1.161 42.035 40.800 0.123 0.000 1.025 1323 D HN 0.409 nan 8.370 nan 0.000 0.511 1324 P HA 0.010 nan 4.420 nan 0.000 0.269 1324 P C 0.512 177.857 177.300 0.075 0.000 1.376 1324 P CA 0.256 63.405 63.100 0.082 0.000 0.775 1324 P CB 0.290 32.028 31.700 0.062 0.000 1.345 1325 T N -0.981 113.618 114.554 0.074 0.000 3.016 1325 T HA 0.224 4.574 4.350 -0.000 0.000 0.271 1325 T C 1.331 176.061 174.700 0.050 0.000 0.968 1325 T CA 0.034 62.163 62.100 0.048 0.000 0.891 1325 T CB 0.362 69.242 68.868 0.019 0.000 1.149 1325 T HN 0.188 nan 8.240 nan 0.000 0.524 1326 R N 0.138 120.697 120.500 0.099 0.000 2.531 1326 R HA 0.437 4.777 4.340 -0.000 0.000 0.316 1326 R C 0.364 176.876 176.300 0.354 0.000 0.955 1326 R CA -0.239 55.928 56.100 0.111 0.000 1.120 1326 R CB 0.888 31.134 30.300 -0.090 0.000 1.361 1326 R HN 0.290 nan 8.270 nan 0.000 0.534 1327 I N 1.721 122.477 120.570 0.310 0.000 2.710 1327 I HA -0.071 4.099 4.170 -0.000 0.000 0.286 1327 I C -1.007 175.326 176.117 0.360 0.000 1.181 1327 I CA 0.357 61.844 61.300 0.313 0.000 1.430 1327 I CB 0.324 38.441 38.000 0.195 0.000 1.367 1327 I HN 0.015 nan 8.210 nan 0.000 0.577 1328 Y N 6.090 126.494 120.300 0.174 0.000 2.433 1328 Y HA 0.425 4.974 4.550 -0.000 0.000 0.337 1328 Y C -0.997 174.970 175.900 0.111 0.000 1.026 1328 Y CA -0.973 57.218 58.100 0.151 0.000 1.037 1328 Y CB 1.813 40.389 38.460 0.194 0.000 1.245 1328 Y HN 0.485 nan 8.280 nan 0.000 0.443 1329 T N 6.090 120.531 114.554 -0.187 0.000 2.792 1329 T HA 0.166 4.516 4.350 -0.000 0.000 0.280 1329 T C 0.802 175.164 174.700 -0.563 0.000 0.990 1329 T CA -0.613 61.310 62.100 -0.294 0.000 0.960 1329 T CB 0.635 69.471 68.868 -0.053 0.000 0.939 1329 T HN 0.738 nan 8.240 nan 0.000 0.439 1330 N N 1.657 120.031 118.700 -0.544 0.000 2.364 1330 N HA -0.089 4.651 4.740 -0.000 0.000 0.183 1330 N C 1.036 176.549 175.510 0.005 0.000 1.022 1330 N CA 0.364 53.184 53.050 -0.383 0.000 0.883 1330 N CB 0.006 38.363 38.487 -0.217 0.000 0.965 1330 N HN 0.376 nan 8.380 nan 0.000 0.438 1331 S N 0.544 116.283 115.700 0.065 0.000 3.829 1331 S HA 0.072 4.542 4.470 -0.000 0.000 0.250 1331 S C 0.822 175.615 174.600 0.321 0.000 1.263 1331 S CA -0.859 57.481 58.200 0.234 0.000 0.955 1331 S CB -1.457 61.796 63.200 0.088 0.000 1.611 1331 S HN 0.404 nan 8.310 nan 0.000 0.483 1332 F N 2.259 122.246 119.950 0.061 0.000 2.184 1332 F HA -0.150 4.377 4.527 -0.000 0.000 0.301 1332 F C 1.842 177.688 175.800 0.078 0.000 1.076 1332 F CA 0.401 58.464 58.000 0.105 0.000 1.295 1332 F CB -0.547 38.527 39.000 0.123 0.000 1.026 1332 F HN 0.411 nan 8.300 nan 0.000 0.494 1333 I N 1.779 122.092 120.570 -0.429 0.000 2.145 1333 I HA -0.314 3.856 4.170 -0.000 0.000 0.244 1333 I C 2.198 178.254 176.117 -0.103 0.000 1.075 1333 I CA 1.929 63.014 61.300 -0.358 0.000 1.332 1333 I CB -0.895 36.901 38.000 -0.341 0.000 1.033 1333 I HN 0.311 nan 8.210 nan 0.000 0.410 1334 D N 0.540 120.923 120.400 -0.029 0.000 2.081 1334 D HA -0.143 4.497 4.640 -0.000 0.000 0.194 1334 D C 2.202 178.536 176.300 0.057 0.000 0.986 1334 D CA 1.145 55.155 54.000 0.016 0.000 0.837 1334 D CB -0.280 40.538 40.800 0.030 0.000 0.985 1334 D HN 0.284 nan 8.370 nan 0.000 0.448 1335 I N 1.229 121.867 120.570 0.114 0.000 2.576 1335 I HA -0.272 3.897 4.170 -0.000 0.000 0.263 1335 I C 2.334 178.525 176.117 0.125 0.000 1.183 1335 I CA 0.672 62.063 61.300 0.153 0.000 1.432 1335 I CB -0.137 38.016 38.000 0.255 0.000 1.100 1335 I HN 0.137 nan 8.210 nan 0.000 0.452 1336 M N 0.268 119.924 119.600 0.093 0.000 2.357 1336 M HA -0.097 4.383 4.480 -0.000 0.000 0.266 1336 M C 1.811 178.137 176.300 0.044 0.000 1.095 1336 M CA 1.650 56.992 55.300 0.071 0.000 1.156 1336 M CB -0.129 32.496 32.600 0.043 0.000 1.365 1336 M HN 0.191 nan 8.290 nan 0.000 0.447 1337 E N -0.596 119.621 120.200 0.027 0.000 2.285 1337 E HA -0.061 4.288 4.350 -0.000 0.000 0.194 1337 E C 1.899 178.515 176.600 0.028 0.000 0.997 1337 E CA 0.710 57.121 56.400 0.018 0.000 0.845 1337 E CB 0.338 30.040 29.700 0.004 0.000 0.782 1337 E HN 0.342 nan 8.360 nan 0.000 0.491 1338 V N 0.750 120.688 119.914 0.040 0.000 2.484 1338 V HA -0.076 4.044 4.120 -0.000 0.000 0.236 1338 V C 2.036 178.159 176.094 0.048 0.000 1.062 1338 V CA 0.789 63.115 62.300 0.043 0.000 1.081 1338 V CB -0.218 31.636 31.823 0.052 0.000 0.751 1338 V HN 0.179 nan 8.190 nan 0.000 0.484 1339 L N 0.463 121.724 121.223 0.062 0.000 2.341 1339 L HA 0.403 4.743 4.340 -0.000 0.000 0.214 1339 L C 1.012 177.914 176.870 0.053 0.000 1.115 1339 L CA 0.951 55.828 54.840 0.061 0.000 0.820 1339 L CB -0.399 41.707 42.059 0.078 0.000 0.944 1339 L HN 0.600 nan 8.230 nan 0.000 0.452 1340 G N 0.209 109.042 108.800 0.055 0.000 3.444 1340 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.685 1340 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.685 1340 G C 0.374 175.309 174.900 0.058 0.000 1.145 1340 G CA -0.186 44.944 45.100 0.049 0.000 0.973 1340 G HN 0.096 nan 8.290 nan 0.000 0.525 1341 I N 0.483 121.088 120.570 0.058 0.000 2.850 1341 I HA -0.400 3.770 4.170 -0.000 0.000 0.221 1341 I C 2.537 178.699 176.117 0.075 0.000 0.864 1341 I CA 2.747 64.088 61.300 0.068 0.000 1.196 1341 I CB 0.101 38.136 38.000 0.058 0.000 0.926 1341 I HN 0.774 nan 8.210 nan 0.000 0.373 1342 E N 0.423 120.659 120.200 0.060 0.000 2.114 1342 E HA -0.279 4.071 4.350 -0.000 0.000 0.199 1342 E C 2.077 178.710 176.600 0.056 0.000 1.008 1342 E CA 1.736 58.167 56.400 0.053 0.000 0.810 1342 E CB -0.386 29.337 29.700 0.037 0.000 0.739 1342 E HN 0.761 nan 8.360 nan 0.000 0.456 1343 A N 0.576 123.431 122.820 0.059 0.000 1.968 1343 A HA 0.008 4.328 4.320 -0.000 0.000 0.217 1343 A C 2.451 180.100 177.584 0.109 0.000 1.169 1343 A CA 1.600 53.676 52.037 0.065 0.000 0.638 1343 A CB -0.793 18.246 19.000 0.065 0.000 0.812 1343 A HN 0.330 nan 8.150 nan 0.000 0.446 1344 G N -0.358 108.518 108.800 0.126 0.000 2.446 1344 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.217 1344 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.217 1344 G C 1.749 176.771 174.900 0.202 0.000 1.168 1344 G CA 0.997 46.206 45.100 0.182 0.000 0.771 1344 G HN 0.505 nan 8.290 nan 0.000 0.551 1345 R N 0.619 121.209 120.500 0.150 0.000 2.094 1345 R HA -0.126 4.214 4.340 -0.000 0.000 0.239 1345 R C 2.911 179.303 176.300 0.153 0.000 1.137 1345 R CA 1.702 57.889 56.100 0.144 0.000 0.943 1345 R CB -0.564 29.791 30.300 0.093 0.000 0.850 1345 R HN 0.294 nan 8.270 nan 0.000 0.433 1346 A N 0.416 123.302 122.820 0.110 0.000 1.948 1346 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 1346 A C 2.284 179.955 177.584 0.145 0.000 1.177 1346 A CA 2.106 54.198 52.037 0.092 0.000 0.636 1346 A CB -0.653 18.364 19.000 0.027 0.000 0.815 1346 A HN 0.593 nan 8.150 nan 0.000 0.449 1347 A N -0.633 122.289 122.820 0.169 0.000 1.843 1347 A HA 0.130 4.449 4.320 -0.000 0.000 0.213 1347 A C 2.053 179.730 177.584 0.155 0.000 1.202 1347 A CA 1.397 53.566 52.037 0.220 0.000 0.607 1347 A CB -0.820 18.412 19.000 0.387 0.000 0.847 1347 A HN 0.928 nan 8.150 nan 0.000 0.445 1348 L N -1.010 120.299 121.223 0.144 0.000 2.151 1348 L HA -0.253 4.087 4.340 -0.000 0.000 0.215 1348 L C 2.173 179.024 176.870 -0.031 0.000 1.084 1348 L CA 2.765 57.574 54.840 -0.052 0.000 0.764 1348 L CB -0.979 41.221 42.059 0.236 0.000 0.891 1348 L HN 0.574 nan 8.230 nan 0.000 0.435 1349 Y N 0.226 120.526 120.300 -0.001 0.000 2.138 1349 Y HA -0.190 4.360 4.550 -0.000 0.000 0.286 1349 Y C 2.744 178.680 175.900 0.059 0.000 1.115 1349 Y CA 2.157 60.262 58.100 0.009 0.000 1.105 1349 Y CB -0.461 38.000 38.460 0.002 0.000 1.004 1349 Y HN 0.197 nan 8.280 nan 0.000 0.494 1350 K N 0.026 120.560 120.400 0.223 0.000 2.107 1350 K HA -0.346 3.974 4.320 -0.000 0.000 0.211 1350 K C 2.052 178.689 176.600 0.061 0.000 1.049 1350 K CA 2.293 58.686 56.287 0.177 0.000 0.927 1350 K CB -0.259 32.354 32.500 0.188 0.000 0.714 1350 K HN 0.351 nan 8.250 nan 0.000 0.452 1351 E N -0.014 120.186 120.200 0.001 0.000 2.047 1351 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 1351 E C 1.821 178.333 176.600 -0.147 0.000 0.987 1351 E CA 1.171 57.528 56.400 -0.073 0.000 0.799 1351 E CB -0.009 29.564 29.700 -0.211 0.000 0.752 1351 E HN 0.158 nan 8.360 nan 0.000 0.449 1352 V N 0.681 120.470 119.914 -0.207 0.000 2.407 1352 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 1352 V C 2.087 178.068 176.094 -0.189 0.000 1.055 1352 V CA 1.936 64.120 62.300 -0.193 0.000 1.049 1352 V CB -0.736 30.974 31.823 -0.188 0.000 0.662 1352 V HN 0.391 nan 8.190 nan 0.000 0.455 1353 Y N 1.903 121.955 120.300 -0.414 0.000 2.145 1353 Y HA -0.225 4.325 4.550 -0.000 0.000 0.286 1353 Y C 2.467 178.285 175.900 -0.136 0.000 1.145 1353 Y CA 1.852 59.752 58.100 -0.334 0.000 1.148 1353 Y CB -0.623 37.567 38.460 -0.450 0.000 0.981 1353 Y HN 0.265 nan 8.280 nan 0.000 0.507 1354 N N 0.116 118.618 118.700 -0.329 0.000 2.149 1354 N HA -0.174 4.566 4.740 -0.000 0.000 0.188 1354 N C 1.927 177.277 175.510 -0.267 0.000 1.019 1354 N CA 1.820 54.661 53.050 -0.349 0.000 0.857 1354 N CB -0.319 38.096 38.487 -0.119 0.000 0.997 1354 N HN 0.341 nan 8.380 nan 0.000 0.426 1355 V N 1.785 121.585 119.914 -0.189 0.000 2.490 1355 V HA -0.163 3.956 4.120 -0.000 0.000 0.250 1355 V C 2.065 178.075 176.094 -0.140 0.000 1.061 1355 V CA 1.232 63.451 62.300 -0.135 0.000 1.064 1355 V CB -0.328 31.433 31.823 -0.104 0.000 0.670 1355 V HN 0.275 nan 8.190 nan 0.000 0.461 1356 I N -0.161 120.304 120.570 -0.175 0.000 3.419 1356 I HA 0.050 4.220 4.170 -0.000 0.000 0.286 1356 I C 2.318 178.337 176.117 -0.163 0.000 1.268 1356 I CA 0.822 62.046 61.300 -0.126 0.000 1.414 1356 I CB -0.290 37.675 38.000 -0.059 0.000 1.074 1356 I HN 0.245 nan 8.210 nan 0.000 0.457 1357 A N 0.914 123.546 122.820 -0.314 0.000 1.956 1357 A HA -0.081 4.239 4.320 -0.000 0.000 0.212 1357 A C 2.450 179.929 177.584 -0.174 0.000 1.188 1357 A CA 1.079 52.931 52.037 -0.308 0.000 0.675 1357 A CB -0.512 18.132 19.000 -0.593 0.000 0.845 1357 A HN 0.417 nan 8.150 nan 0.000 0.455 1358 S N 0.186 115.787 115.700 -0.164 0.000 2.402 1358 S HA -0.224 4.246 4.470 -0.000 0.000 0.233 1358 S C 1.397 175.956 174.600 -0.068 0.000 1.030 1358 S CA 1.594 59.733 58.200 -0.101 0.000 1.003 1358 S CB -0.483 62.663 63.200 -0.089 0.000 0.813 1358 S HN 0.547 nan 8.310 nan 0.000 0.477 1359 D N 1.178 121.538 120.400 -0.066 0.000 2.355 1359 D HA 0.142 4.782 4.640 -0.000 0.000 0.218 1359 D C 1.351 177.636 176.300 -0.024 0.000 1.004 1359 D CA 0.817 54.793 54.000 -0.040 0.000 0.880 1359 D CB -0.043 40.734 40.800 -0.037 0.000 0.911 1359 D HN 0.646 nan 8.370 nan 0.000 0.528 1360 G N 0.787 109.569 108.800 -0.029 0.000 2.137 1360 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.237 1360 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.237 1360 G C 0.375 175.287 174.900 0.021 0.000 1.002 1360 G CA 0.512 45.608 45.100 -0.007 0.000 0.702 1360 G HN 0.315 nan 8.290 nan 0.000 0.515 1361 S N -1.121 114.594 115.700 0.026 0.000 2.758 1361 S HA 0.843 5.313 4.470 -0.000 0.000 0.292 1361 S C -0.822 173.880 174.600 0.170 0.000 1.131 1361 S CA -0.443 57.800 58.200 0.071 0.000 0.997 1361 S CB 1.886 65.107 63.200 0.036 0.000 1.111 1361 S HN 1.010 nan 8.310 nan 0.000 0.552 1362 Y N 0.286 120.607 120.300 0.036 0.000 2.479 1362 Y HA 0.625 5.175 4.550 -0.000 0.000 0.338 1362 Y C -1.869 174.100 175.900 0.115 0.000 1.055 1362 Y CA -1.327 56.826 58.100 0.088 0.000 1.023 1362 Y CB 0.644 39.156 38.460 0.087 0.000 1.287 1362 Y HN 0.355 nan 8.280 nan 0.000 0.447 1363 V N 6.311 126.411 119.914 0.309 0.000 2.577 1363 V HA 0.299 4.419 4.120 -0.000 0.000 0.303 1363 V C -0.299 175.905 176.094 0.183 0.000 1.042 1363 V CA -1.235 61.108 62.300 0.073 0.000 0.872 1363 V CB 1.821 33.761 31.823 0.195 0.000 0.998 1363 V HN 0.849 nan 8.190 nan 0.000 0.423 1364 N N 3.208 121.895 118.700 -0.023 0.000 2.434 1364 N HA -0.011 4.729 4.740 -0.000 0.000 0.268 1364 N C 1.132 176.740 175.510 0.163 0.000 1.256 1364 N CA -0.014 53.111 53.050 0.124 0.000 0.914 1364 N CB 0.309 38.752 38.487 -0.072 0.000 1.088 1364 N HN 0.748 nan 8.380 nan 0.000 0.478 1365 Y N 5.430 125.852 120.300 0.204 0.000 2.120 1365 Y HA -0.520 4.030 4.550 -0.000 0.000 0.200 1365 Y C 2.089 178.018 175.900 0.049 0.000 1.255 1365 Y CA 3.051 61.252 58.100 0.169 0.000 0.923 1365 Y CB -0.467 38.026 38.460 0.055 0.000 0.722 1365 Y HN 0.715 nan 8.280 nan 0.000 0.561 1366 R N -1.432 119.060 120.500 -0.013 0.000 2.227 1366 R HA -0.329 4.011 4.340 -0.000 0.000 0.259 1366 R C 1.843 178.023 176.300 -0.201 0.000 1.139 1366 R CA 2.116 58.060 56.100 -0.261 0.000 0.969 1366 R CB -1.502 28.525 30.300 -0.456 0.000 0.903 1366 R HN 0.569 nan 8.270 nan 0.000 0.452 1367 H N 0.858 119.933 119.070 0.009 0.000 2.261 1367 H HA 0.011 4.567 4.556 -0.000 0.000 0.301 1367 H C 2.386 177.708 175.328 -0.010 0.000 1.067 1367 H CA 1.909 57.971 56.048 0.022 0.000 1.297 1367 H CB -0.511 29.271 29.762 0.032 0.000 1.377 1367 H HN 0.250 nan 8.280 nan 0.000 0.492 1368 M N 0.377 120.066 119.600 0.149 0.000 2.149 1368 M HA -0.127 4.353 4.480 -0.000 0.000 0.261 1368 M C 2.662 178.996 176.300 0.056 0.000 1.064 1368 M CA 1.350 56.702 55.300 0.087 0.000 1.102 1368 M CB -0.354 32.300 32.600 0.091 0.000 1.369 1368 M HN 0.246 nan 8.290 nan 0.000 0.408 1369 A N 1.056 123.812 122.820 -0.107 0.000 1.834 1369 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 1369 A C 2.074 179.587 177.584 -0.118 0.000 1.203 1369 A CA 1.632 53.485 52.037 -0.307 0.000 0.621 1369 A CB -1.133 17.366 19.000 -0.835 0.000 0.841 1369 A HN 0.394 nan 8.150 nan 0.000 0.446 1370 L N -0.371 120.802 121.223 -0.082 0.000 2.017 1370 L HA -0.274 4.066 4.340 -0.000 0.000 0.234 1370 L C 2.444 179.308 176.870 -0.011 0.000 1.097 1370 L CA 2.800 57.633 54.840 -0.012 0.000 0.816 1370 L CB -0.992 41.105 42.059 0.062 0.000 0.914 1370 L HN 0.536 nan 8.230 nan 0.000 0.444 1371 L N -1.250 119.972 121.223 -0.002 0.000 1.997 1371 L HA -0.220 4.120 4.340 -0.000 0.000 0.216 1371 L C 2.449 179.323 176.870 0.008 0.000 1.074 1371 L CA 2.251 57.083 54.840 -0.014 0.000 0.763 1371 L CB -0.959 41.091 42.059 -0.015 0.000 0.890 1371 L HN 0.176 nan 8.230 nan 0.000 0.434 1372 V N 0.159 120.091 119.914 0.030 0.000 2.469 1372 V HA -0.295 3.825 4.120 -0.000 0.000 0.251 1372 V C 2.115 178.242 176.094 0.055 0.000 1.064 1372 V CA 2.315 64.655 62.300 0.066 0.000 1.066 1372 V CB -0.684 31.213 31.823 0.124 0.000 0.667 1372 V HN 0.641 nan 8.190 nan 0.000 0.461 1373 D N -0.476 119.935 120.400 0.018 0.000 2.120 1373 D HA -0.090 4.550 4.640 -0.000 0.000 0.202 1373 D C 2.138 178.444 176.300 0.010 0.000 0.972 1373 D CA 1.561 55.567 54.000 0.009 0.000 0.837 1373 D CB -0.187 40.603 40.800 -0.017 0.000 0.989 1373 D HN 0.431 nan 8.370 nan 0.000 0.469 1374 V N 1.544 121.455 119.914 -0.004 0.000 2.392 1374 V HA -0.241 3.878 4.120 -0.000 0.000 0.249 1374 V C 2.552 178.657 176.094 0.018 0.000 1.059 1374 V CA 1.303 63.596 62.300 -0.013 0.000 1.051 1374 V CB -0.572 31.221 31.823 -0.051 0.000 0.658 1374 V HN 0.178 nan 8.190 nan 0.000 0.455 1375 M N -0.139 119.482 119.600 0.037 0.000 2.296 1375 M HA -0.131 4.349 4.480 -0.000 0.000 0.265 1375 M C 2.293 178.644 176.300 0.084 0.000 1.064 1375 M CA 2.126 57.472 55.300 0.076 0.000 1.109 1375 M CB -0.450 32.212 32.600 0.102 0.000 1.396 1375 M HN 0.579 nan 8.290 nan 0.000 0.430 1376 T N -0.514 114.083 114.554 0.072 0.000 2.990 1376 T HA -0.071 4.279 4.350 -0.000 0.000 0.237 1376 T C 1.830 176.563 174.700 0.055 0.000 1.009 1376 T CA 1.868 64.011 62.100 0.072 0.000 1.195 1376 T CB -0.626 68.288 68.868 0.077 0.000 0.885 1376 T HN 0.516 nan 8.240 nan 0.000 0.424 1377 T N 1.484 116.062 114.554 0.040 0.000 2.314 1377 T HA -0.454 3.896 4.350 -0.000 0.000 0.215 1377 T C 1.852 176.576 174.700 0.039 0.000 1.534 1377 T CA 2.427 64.546 62.100 0.031 0.000 1.080 1377 T CB -1.633 67.238 68.868 0.004 0.000 0.833 1377 T HN 0.558 nan 8.240 nan 0.000 0.429 1378 Q N 1.372 121.196 119.800 0.039 0.000 2.226 1378 Q HA -0.300 4.040 4.340 -0.000 0.000 0.220 1378 Q C 2.180 178.208 176.000 0.046 0.000 1.037 1378 Q CA 2.714 58.544 55.803 0.045 0.000 0.940 1378 Q CB -0.925 27.846 28.738 0.056 0.000 1.037 1378 Q HN 0.974 nan 8.270 nan 0.000 0.420 1379 G N -3.213 105.616 108.800 0.049 0.000 4.081 1379 G HA2 0.135 4.095 3.960 -0.000 0.000 0.192 1379 G HA3 0.135 4.095 3.960 -0.000 0.000 0.192 1379 G C 0.263 175.191 174.900 0.045 0.000 0.917 1379 G CA 0.431 45.558 45.100 0.045 0.000 0.915 1379 G HN 0.641 nan 8.290 nan 0.000 0.330 1380 G N -0.275 108.553 108.800 0.048 0.000 3.420 1380 G HA2 0.488 4.448 3.960 -0.000 0.000 0.183 1380 G HA3 0.488 4.448 3.960 -0.000 0.000 0.183 1380 G C -1.032 173.900 174.900 0.054 0.000 1.315 1380 G CA -0.384 44.742 45.100 0.044 0.000 0.958 1380 G HN 0.410 nan 8.290 nan 0.000 0.745 1381 L N 2.767 124.013 121.223 0.039 0.000 2.360 1381 L HA 0.363 4.703 4.340 -0.000 0.000 0.265 1381 L C -0.319 176.590 176.870 0.065 0.000 1.066 1381 L CA -0.280 54.589 54.840 0.048 0.000 0.929 1381 L CB 0.926 42.973 42.059 -0.021 0.000 1.306 1381 L HN 0.269 nan 8.230 nan 0.000 0.434 1382 T N 0.704 115.312 114.554 0.091 0.000 2.761 1382 T HA 0.151 4.501 4.350 -0.000 0.000 0.296 1382 T C 0.617 175.405 174.700 0.147 0.000 0.934 1382 T CA -0.403 61.765 62.100 0.113 0.000 1.091 1382 T CB 0.853 69.794 68.868 0.122 0.000 0.896 1382 T HN 0.603 nan 8.240 nan 0.000 0.515 1383 S N 2.101 117.895 115.700 0.158 0.000 2.592 1383 S HA 0.231 4.701 4.470 -0.000 0.000 0.271 1383 S C 0.491 175.256 174.600 0.275 0.000 1.326 1383 S CA -0.966 57.347 58.200 0.188 0.000 1.024 1383 S CB 0.652 63.956 63.200 0.173 0.000 0.921 1383 S HN 0.427 nan 8.310 nan 0.000 0.527 1384 V N 3.133 123.210 119.914 0.273 0.000 1.984 1384 V HA 0.285 4.405 4.120 -0.000 0.000 0.272 1384 V C 0.000 176.340 176.094 0.410 0.000 1.706 1384 V CA 0.005 62.543 62.300 0.395 0.000 1.644 1384 V CB -1.704 30.219 31.823 0.167 0.000 1.509 1384 V HN 1.044 nan 8.190 nan 0.000 0.511 1385 T N -0.112 114.605 114.554 0.273 0.000 2.885 1385 T HA 0.268 4.618 4.350 -0.000 0.000 0.322 1385 T C 0.901 175.405 174.700 -0.328 0.000 1.387 1385 T CA -0.831 61.275 62.100 0.009 0.000 1.041 1385 T CB 2.004 70.870 68.868 -0.003 0.000 1.287 1385 T HN 0.358 nan 8.240 nan 0.000 0.491 1386 R N 0.670 120.917 120.500 -0.422 0.000 2.257 1386 R HA -0.293 4.047 4.340 -0.000 0.000 0.265 1386 R C 1.175 177.235 176.300 -0.401 0.000 1.191 1386 R CA 2.161 57.921 56.100 -0.566 0.000 1.010 1386 R CB -0.511 29.418 30.300 -0.619 0.000 0.883 1386 R HN 0.696 nan 8.270 nan 0.000 0.473 1387 H N -0.882 118.104 119.070 -0.140 0.000 2.326 1387 H HA 0.045 4.601 4.556 -0.000 0.000 0.301 1387 H C 1.764 177.051 175.328 -0.069 0.000 1.081 1387 H CA 1.481 57.480 56.048 -0.081 0.000 1.334 1387 H CB -0.525 29.219 29.762 -0.029 0.000 1.385 1387 H HN 0.460 nan 8.280 nan 0.000 0.504 1388 G N 0.314 109.141 108.800 0.045 0.000 3.226 1388 G HA2 0.042 4.002 3.960 -0.000 0.000 0.190 1388 G HA3 0.042 4.002 3.960 -0.000 0.000 0.190 1388 G C 1.280 176.199 174.900 0.033 0.000 1.988 1388 G CA 0.324 45.465 45.100 0.068 0.000 0.859 1388 G HN 0.324 nan 8.290 nan 0.000 0.631 1389 F N 1.951 121.946 119.950 0.075 0.000 2.076 1389 F HA -0.287 4.240 4.527 -0.000 0.000 0.294 1389 F C 1.414 177.259 175.800 0.076 0.000 1.078 1389 F CA 1.886 59.925 58.000 0.065 0.000 1.247 1389 F CB -1.077 37.954 39.000 0.051 0.000 0.984 1389 F HN 0.220 nan 8.300 nan 0.000 0.491 1390 N N 0.415 118.779 118.700 -0.559 0.000 2.530 1390 N HA -0.025 4.715 4.740 -0.000 0.000 0.216 1390 N C 1.298 176.749 175.510 -0.097 0.000 1.315 1390 N CA 0.532 53.423 53.050 -0.265 0.000 0.858 1390 N CB -0.369 37.834 38.487 -0.474 0.000 1.138 1390 N HN 0.763 nan 8.380 nan 0.000 0.473 1391 R N -1.871 118.620 120.500 -0.015 0.000 2.568 1391 R HA 0.182 4.522 4.340 -0.000 0.000 0.254 1391 R C 0.349 176.676 176.300 0.045 0.000 0.925 1391 R CA -0.138 55.963 56.100 0.003 0.000 1.025 1391 R CB -0.287 30.012 30.300 -0.002 0.000 1.428 1391 R HN 0.145 nan 8.270 nan 0.000 0.573 1392 S N 1.146 116.896 115.700 0.084 0.000 2.589 1392 S HA -0.036 4.434 4.470 -0.000 0.000 0.256 1392 S C 0.583 175.225 174.600 0.070 0.000 1.383 1392 S CA 0.096 58.348 58.200 0.086 0.000 0.983 1392 S CB 0.215 63.483 63.200 0.114 0.000 0.908 1392 S HN 0.410 nan 8.310 nan 0.000 0.572 1393 N N 0.567 119.305 118.700 0.062 0.000 2.635 1393 N HA -0.036 4.704 4.740 -0.000 0.000 0.191 1393 N C 0.198 175.742 175.510 0.057 0.000 1.155 1393 N CA 0.664 53.746 53.050 0.053 0.000 0.927 1393 N CB -0.917 37.598 38.487 0.046 0.000 0.976 1393 N HN 0.619 nan 8.380 nan 0.000 0.448 1394 T N 0.588 115.182 114.554 0.068 0.000 2.856 1394 T HA 0.171 4.521 4.350 -0.000 0.000 0.329 1394 T C 1.410 176.152 174.700 0.070 0.000 1.094 1394 T CA -0.042 62.099 62.100 0.069 0.000 1.112 1394 T CB 0.632 69.553 68.868 0.088 0.000 1.009 1394 T HN 0.216 nan 8.240 nan 0.000 0.550 1395 G N -0.005 108.835 108.800 0.068 0.000 2.608 1395 G HA2 0.316 4.276 3.960 -0.000 0.000 0.291 1395 G HA3 0.316 4.276 3.960 -0.000 0.000 0.291 1395 G C 1.079 176.041 174.900 0.103 0.000 1.306 1395 G CA -0.107 45.043 45.100 0.084 0.000 1.085 1395 G HN 0.888 nan 8.290 nan 0.000 0.619 1396 A N -1.197 121.717 122.820 0.158 0.000 1.896 1396 A HA 0.235 4.555 4.320 -0.000 0.000 0.213 1396 A C 2.477 180.126 177.584 0.108 0.000 1.306 1396 A CA 0.848 52.964 52.037 0.131 0.000 0.626 1396 A CB -0.652 18.466 19.000 0.198 0.000 0.994 1396 A HN 0.536 nan 8.150 nan 0.000 0.475 1397 L N -0.496 120.837 121.223 0.183 0.000 2.171 1397 L HA -0.340 4.000 4.340 -0.000 0.000 0.216 1397 L C 2.811 179.728 176.870 0.077 0.000 1.084 1397 L CA 2.257 57.173 54.840 0.127 0.000 0.771 1397 L CB -0.459 41.680 42.059 0.134 0.000 0.890 1397 L HN 0.690 nan 8.230 nan 0.000 0.437 1398 M N -0.317 119.331 119.600 0.080 0.000 2.081 1398 M HA -0.206 4.274 4.480 -0.000 0.000 0.261 1398 M C 2.442 178.801 176.300 0.099 0.000 1.075 1398 M CA 1.748 57.094 55.300 0.076 0.000 1.133 1398 M CB -0.113 32.531 32.600 0.074 0.000 1.330 1398 M HN 0.011 nan 8.290 nan 0.000 0.414 1399 R N -0.254 120.307 120.500 0.101 0.000 2.120 1399 R HA -0.157 4.182 4.340 -0.000 0.000 0.234 1399 R C 2.522 178.863 176.300 0.068 0.000 1.123 1399 R CA 1.381 57.550 56.100 0.116 0.000 0.975 1399 R CB -1.237 29.104 30.300 0.069 0.000 0.866 1399 R HN 0.640 nan 8.270 nan 0.000 0.446 1400 C N 1.585 120.902 119.300 0.028 0.000 2.398 1400 C HA -0.113 4.347 4.460 -0.000 0.000 0.279 1400 C C 1.897 176.892 174.990 0.007 0.000 1.250 1400 C CA 1.427 60.435 59.018 -0.017 0.000 1.786 1400 C CB -0.931 26.796 27.740 -0.022 0.000 2.018 1400 C HN 0.503 nan 8.230 nan 0.000 0.494 1401 S N -0.843 114.896 115.700 0.065 0.000 3.149 1401 S HA 0.474 4.944 4.470 -0.000 0.000 0.228 1401 S C -0.488 174.240 174.600 0.213 0.000 1.393 1401 S CA -0.402 57.852 58.200 0.091 0.000 1.224 1401 S CB -0.640 62.603 63.200 0.072 0.000 1.112 1401 S HN 0.817 nan 8.310 nan 0.000 0.502 1402 F N 0.626 120.563 119.950 -0.021 0.000 3.024 1402 F HA 0.228 4.755 4.527 -0.000 0.000 0.313 1402 F C 0.133 175.904 175.800 -0.049 0.000 0.981 1402 F CA -0.873 57.117 58.000 -0.016 0.000 1.274 1402 F CB -0.431 38.580 39.000 0.019 0.000 1.542 1402 F HN 0.370 nan 8.300 nan 0.000 0.777 1403 E N 2.271 122.165 120.200 -0.510 0.000 4.584 1403 E HA -0.292 4.058 4.350 -0.000 0.000 0.282 1403 E C 0.571 176.935 176.600 -0.394 0.000 0.747 1403 E CA 1.998 58.023 56.400 -0.624 0.000 1.563 1403 E CB -0.501 28.453 29.700 -1.244 0.000 1.779 1403 E HN 0.875 nan 8.360 nan 0.000 0.408 1404 E N -0.973 119.034 120.200 -0.322 0.000 2.639 1404 E HA 0.069 4.419 4.350 -0.000 0.000 0.225 1404 E C 0.862 177.341 176.600 -0.201 0.000 0.921 1404 E CA 0.669 56.927 56.400 -0.237 0.000 1.184 1404 E CB 0.745 30.307 29.700 -0.230 0.000 1.160 1404 E HN 0.251 nan 8.360 nan 0.000 0.547 1405 T N 1.048 115.496 114.554 -0.177 0.000 2.034 1405 T HA -0.383 3.967 4.350 -0.000 0.000 0.116 1405 T C 1.813 176.362 174.700 -0.251 0.000 1.803 1405 T CA 2.404 64.399 62.100 -0.174 0.000 0.811 1405 T CB -1.286 67.490 68.868 -0.154 0.000 0.788 1405 T HN 0.048 nan 8.240 nan 0.000 0.415 1406 V N 2.327 122.045 119.914 -0.327 0.000 2.255 1406 V HA -0.215 3.905 4.120 -0.000 0.000 0.247 1406 V C 2.763 178.490 176.094 -0.612 0.000 1.051 1406 V CA 2.583 64.542 62.300 -0.568 0.000 1.018 1406 V CB -0.876 30.551 31.823 -0.661 0.000 0.641 1406 V HN 0.567 nan 8.190 nan 0.000 0.445 1407 E N -0.360 119.607 120.200 -0.388 0.000 2.136 1407 E HA -0.277 4.072 4.350 -0.000 0.000 0.202 1407 E C 2.160 178.674 176.600 -0.143 0.000 1.019 1407 E CA 1.947 58.219 56.400 -0.214 0.000 0.819 1407 E CB -0.227 29.386 29.700 -0.145 0.000 0.739 1407 E HN 0.573 nan 8.360 nan 0.000 0.458 1408 I N 0.614 121.078 120.570 -0.178 0.000 2.233 1408 I HA -0.253 3.917 4.170 -0.000 0.000 0.243 1408 I C 2.417 178.434 176.117 -0.167 0.000 1.093 1408 I CA 0.702 61.918 61.300 -0.141 0.000 1.380 1408 I CB -0.136 37.781 38.000 -0.138 0.000 1.067 1408 I HN 0.141 nan 8.210 nan 0.000 0.413 1409 L N -0.017 121.056 121.223 -0.249 0.000 2.012 1409 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 1409 L C 2.606 179.398 176.870 -0.130 0.000 1.073 1409 L CA 1.742 56.391 54.840 -0.318 0.000 0.748 1409 L CB -0.676 41.184 42.059 -0.330 0.000 0.891 1409 L HN 0.202 nan 8.230 nan 0.000 0.431 1410 F N 0.515 120.389 119.950 -0.126 0.000 2.043 1410 F HA -0.311 4.216 4.527 -0.000 0.000 0.297 1410 F C 2.433 178.321 175.800 0.146 0.000 1.118 1410 F CA 1.156 59.166 58.000 0.016 0.000 1.202 1410 F CB -0.207 38.792 39.000 -0.001 0.000 0.965 1410 F HN 0.171 nan 8.300 nan 0.000 0.482 1411 E N 0.007 120.354 120.200 0.244 0.000 2.516 1411 E HA -0.078 4.272 4.350 -0.000 0.000 0.199 1411 E C 1.764 178.332 176.600 -0.053 0.000 1.069 1411 E CA 0.278 56.711 56.400 0.056 0.000 0.876 1411 E CB -0.011 29.686 29.700 -0.005 0.000 0.843 1411 E HN 0.386 nan 8.360 nan 0.000 0.530 1412 A N 0.640 123.407 122.820 -0.088 0.000 1.861 1412 A HA 0.050 4.370 4.320 -0.000 0.000 0.212 1412 A C 2.326 179.877 177.584 -0.056 0.000 1.199 1412 A CA 1.108 53.046 52.037 -0.165 0.000 0.613 1412 A CB -0.598 18.077 19.000 -0.541 0.000 0.846 1412 A HN 0.333 nan 8.150 nan 0.000 0.446 1413 G N -0.896 107.874 108.800 -0.049 0.000 2.572 1413 G HA2 0.212 4.172 3.960 -0.000 0.000 0.216 1413 G HA3 0.212 4.172 3.960 -0.000 0.000 0.216 1413 G C 1.373 176.299 174.900 0.043 0.000 1.133 1413 G CA 1.004 46.156 45.100 0.086 0.000 0.791 1413 G HN 0.723 nan 8.290 nan 0.000 0.538 1414 A N 0.159 122.959 122.820 -0.034 0.000 2.169 1414 A HA 0.356 4.676 4.320 -0.000 0.000 0.212 1414 A C 1.913 179.185 177.584 -0.519 0.000 1.153 1414 A CA 1.365 53.217 52.037 -0.309 0.000 0.756 1414 A CB 0.179 18.809 19.000 -0.617 0.000 0.813 1414 A HN 0.198 nan 8.150 nan 0.000 0.471 1415 S N -0.908 114.598 115.700 -0.323 0.000 2.846 1415 S HA 0.489 4.959 4.470 -0.000 0.000 0.249 1415 S C 0.571 175.108 174.600 -0.105 0.000 1.028 1415 S CA 0.146 58.140 58.200 -0.344 0.000 1.043 1415 S CB 0.341 63.370 63.200 -0.285 0.000 0.990 1415 S HN 1.495 nan 8.310 nan 0.000 0.564 1416 A N 2.177 124.994 122.820 -0.005 0.000 2.103 1416 A HA -0.223 4.097 4.320 -0.000 0.000 0.269 1416 A C 0.311 177.986 177.584 0.152 0.000 1.346 1416 A CA 0.813 52.936 52.037 0.143 0.000 0.755 1416 A CB -1.381 17.777 19.000 0.263 0.000 1.146 1416 A HN 0.626 nan 8.150 nan 0.000 0.330 1417 E N -1.010 119.294 120.200 0.175 0.000 2.369 1417 E HA 0.565 4.915 4.350 -0.000 0.000 0.255 1417 E C -0.207 176.466 176.600 0.121 0.000 1.172 1417 E CA -0.716 55.783 56.400 0.165 0.000 0.932 1417 E CB 0.675 30.507 29.700 0.220 0.000 1.040 1417 E HN 0.612 nan 8.360 nan 0.000 0.454 1418 L N 1.600 122.862 121.223 0.064 0.000 2.409 1418 L HA 0.322 4.662 4.340 -0.000 0.000 0.272 1418 L C -1.387 175.468 176.870 -0.026 0.000 0.980 1418 L CA -0.453 54.369 54.840 -0.030 0.000 0.826 1418 L CB 1.761 43.822 42.059 0.003 0.000 1.268 1418 L HN 0.388 nan 8.230 nan 0.000 0.407 1419 D N 2.924 123.263 120.400 -0.103 0.000 2.256 1419 D HA 0.189 4.829 4.640 -0.000 0.000 0.240 1419 D C 0.248 176.515 176.300 -0.056 0.000 1.062 1419 D CA -0.118 53.852 54.000 -0.049 0.000 0.832 1419 D CB 1.701 42.475 40.800 -0.043 0.000 1.135 1419 D HN 0.605 nan 8.370 nan 0.000 0.484 1420 D N 1.768 122.155 120.400 -0.021 0.000 2.178 1420 D HA -0.115 4.524 4.640 -0.000 0.000 0.201 1420 D C 0.631 176.916 176.300 -0.026 0.000 0.980 1420 D CA 0.725 54.712 54.000 -0.021 0.000 0.842 1420 D CB 0.088 40.884 40.800 -0.007 0.000 0.948 1420 D HN 0.515 nan 8.370 nan 0.000 0.472 1421 C N 0.432 119.719 119.300 -0.021 0.000 4.388 1421 C HA -0.151 4.309 4.460 -0.000 0.000 0.310 1421 C C 1.305 176.286 174.990 -0.015 0.000 1.261 1421 C CA -0.049 58.956 59.018 -0.022 0.000 2.114 1421 C CB -2.300 25.418 27.740 -0.038 0.000 1.281 1421 C HN 0.419 nan 8.230 nan 0.000 0.706 1422 R N -0.226 120.270 120.500 -0.006 0.000 2.469 1422 R HA 0.227 4.567 4.340 -0.000 0.000 0.250 1422 R C 1.156 177.458 176.300 0.003 0.000 0.909 1422 R CA 0.551 56.650 56.100 -0.002 0.000 1.050 1422 R CB 0.543 30.843 30.300 0.000 0.000 1.256 1422 R HN 0.562 nan 8.270 nan 0.000 0.550 1423 G N 0.575 109.378 108.800 0.004 0.000 2.415 1423 G HA2 0.266 4.226 3.960 -0.000 0.000 0.269 1423 G HA3 0.266 4.226 3.960 -0.000 0.000 0.269 1423 G C 1.168 176.063 174.900 -0.008 0.000 1.209 1423 G CA -0.557 44.545 45.100 0.004 0.000 0.835 1423 G HN -0.131 nan 8.290 nan 0.000 0.534 1424 V N 2.471 122.374 119.914 -0.018 0.000 2.231 1424 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 1424 V C 3.029 179.109 176.094 -0.022 0.000 1.054 1424 V CA 2.643 64.925 62.300 -0.030 0.000 1.015 1424 V CB -1.020 30.777 31.823 -0.043 0.000 0.638 1424 V HN 0.732 nan 8.190 nan 0.000 0.444 1425 S N -0.338 115.354 115.700 -0.013 0.000 2.369 1425 S HA -0.280 4.190 4.470 -0.000 0.000 0.225 1425 S C 1.888 176.489 174.600 0.002 0.000 1.043 1425 S CA 1.730 59.928 58.200 -0.003 0.000 1.074 1425 S CB -0.564 62.645 63.200 0.014 0.000 0.962 1425 S HN 0.658 nan 8.310 nan 0.000 0.433 1426 E N 1.750 121.955 120.200 0.008 0.000 2.149 1426 E HA -0.231 4.119 4.350 -0.000 0.000 0.215 1426 E C 1.820 178.416 176.600 -0.005 0.000 1.055 1426 E CA 1.453 57.858 56.400 0.008 0.000 0.870 1426 E CB -0.843 28.859 29.700 0.003 0.000 0.764 1426 E HN 0.572 nan 8.360 nan 0.000 0.463 1427 N N 0.336 119.027 118.700 -0.014 0.000 2.135 1427 N HA -0.089 4.651 4.740 -0.000 0.000 0.186 1427 N C 2.160 177.657 175.510 -0.021 0.000 1.027 1427 N CA 0.992 54.029 53.050 -0.022 0.000 0.849 1427 N CB -0.288 38.181 38.487 -0.029 0.000 1.002 1427 N HN -0.003 nan 8.380 nan 0.000 0.425 1428 V N 2.509 122.410 119.914 -0.021 0.000 2.370 1428 V HA -0.218 3.902 4.120 -0.000 0.000 0.252 1428 V C 2.203 178.289 176.094 -0.014 0.000 1.068 1428 V CA 1.387 63.674 62.300 -0.021 0.000 1.061 1428 V CB -0.408 31.402 31.823 -0.022 0.000 0.656 1428 V HN 0.293 nan 8.190 nan 0.000 0.455 1429 I N -1.182 119.384 120.570 -0.007 0.000 2.761 1429 I HA -0.130 4.040 4.170 -0.000 0.000 0.261 1429 I C 1.914 178.029 176.117 -0.004 0.000 1.198 1429 I CA 1.182 62.482 61.300 -0.000 0.000 1.482 1429 I CB -0.047 37.960 38.000 0.012 0.000 1.100 1429 I HN 0.291 nan 8.210 nan 0.000 0.445 1430 L N -0.079 121.138 121.223 -0.011 0.000 2.513 1430 L HA 0.265 4.605 4.340 -0.000 0.000 0.222 1430 L C 1.352 178.211 176.870 -0.018 0.000 1.096 1430 L CA 0.481 55.311 54.840 -0.016 0.000 0.857 1430 L CB 0.095 42.140 42.059 -0.023 0.000 1.026 1430 L HN 0.379 nan 8.230 nan 0.000 0.469 1431 G N 0.597 109.386 108.800 -0.019 0.000 2.165 1431 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.226 1431 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.226 1431 G C -0.089 174.796 174.900 -0.025 0.000 1.035 1431 G CA -0.251 44.837 45.100 -0.021 0.000 0.744 1431 G HN 0.385 nan 8.290 nan 0.000 0.501 1432 Q N -0.754 119.029 119.800 -0.028 0.000 2.351 1432 Q HA 0.622 4.962 4.340 -0.000 0.000 0.273 1432 Q C 0.267 176.243 176.000 -0.040 0.000 1.077 1432 Q CA -1.164 54.620 55.803 -0.032 0.000 0.843 1432 Q CB 1.652 30.371 28.738 -0.031 0.000 1.367 1432 Q HN 0.328 nan 8.270 nan 0.000 0.449 1433 M N 1.920 121.492 119.600 -0.046 0.000 2.292 1433 M HA 0.232 4.712 4.480 -0.000 0.000 0.342 1433 M C -0.519 175.743 176.300 -0.064 0.000 1.538 1433 M CA -0.067 55.197 55.300 -0.060 0.000 1.163 1433 M CB 0.273 32.830 32.600 -0.071 0.000 1.823 1433 M HN 0.804 nan 8.290 nan 0.000 0.462 1434 A N 7.391 130.173 122.820 -0.063 0.000 2.445 1434 A HA 0.404 4.724 4.320 -0.000 0.000 0.242 1434 A C -2.416 175.121 177.584 -0.077 0.000 1.075 1434 A CA -1.174 50.827 52.037 -0.060 0.000 0.777 1434 A CB -0.455 18.512 19.000 -0.055 0.000 1.013 1434 A HN 0.614 nan 8.150 nan 0.000 0.493 1435 P HA 0.337 nan 4.420 nan 0.000 0.263 1435 P C -1.051 176.204 177.300 -0.074 0.000 1.601 1435 P CA 0.808 63.868 63.100 -0.066 0.000 1.161 1435 P CB -0.266 31.421 31.700 -0.022 0.000 1.730 1436 I N 1.264 121.767 120.570 -0.112 0.000 2.610 1436 I HA 0.312 4.482 4.170 -0.000 0.000 0.289 1436 I C 1.186 177.224 176.117 -0.133 0.000 1.163 1436 I CA -0.616 60.615 61.300 -0.114 0.000 1.044 1436 I CB 2.066 40.006 38.000 -0.099 0.000 1.251 1436 I HN 0.397 nan 8.210 nan 0.000 0.424 1437 G N 4.004 112.731 108.800 -0.123 0.000 2.685 1437 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.357 1437 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.357 1437 G C 0.987 175.816 174.900 -0.118 0.000 1.272 1437 G CA 1.309 46.357 45.100 -0.087 0.000 0.972 1437 G HN 0.593 nan 8.290 nan 0.000 0.550 1438 T N 0.882 115.373 114.554 -0.105 0.000 2.856 1438 T HA -0.188 4.162 4.350 -0.000 0.000 0.260 1438 T C 1.932 176.341 174.700 -0.484 0.000 1.043 1438 T CA 2.623 64.608 62.100 -0.192 0.000 1.155 1438 T CB -0.509 68.287 68.868 -0.119 0.000 0.825 1438 T HN 1.526 nan 8.240 nan 0.000 0.503 1439 G N -0.720 107.850 108.800 -0.384 0.000 3.575 1439 G HA2 0.475 4.435 3.960 -0.000 0.000 0.273 1439 G HA3 0.475 4.435 3.960 -0.000 0.000 0.273 1439 G C 0.820 175.509 174.900 -0.352 0.000 1.053 1439 G CA 0.330 45.189 45.100 -0.401 0.000 0.803 1439 G HN 0.515 nan 8.290 nan 0.000 0.528 1440 A N 0.431 123.039 122.820 -0.355 0.000 2.359 1440 A HA 0.649 4.969 4.320 -0.000 0.000 0.240 1440 A C 0.137 177.827 177.584 0.177 0.000 1.306 1440 A CA -0.155 51.838 52.037 -0.073 0.000 0.898 1440 A CB -0.818 18.148 19.000 -0.056 0.000 0.956 1440 A HN 0.810 nan 8.150 nan 0.000 0.497 1441 F N -4.309 115.702 119.950 0.102 0.000 2.900 1441 F HA 0.639 5.166 4.527 -0.000 0.000 0.321 1441 F C -1.639 174.212 175.800 0.085 0.000 1.160 1441 F CA -1.767 56.319 58.000 0.143 0.000 0.890 1441 F CB 0.355 39.500 39.000 0.242 0.000 1.334 1441 F HN -0.163 nan 8.300 nan 0.000 0.459 1442 D N 0.608 121.256 120.400 0.414 0.000 2.350 1442 D HA 0.711 5.351 4.640 -0.000 0.000 0.238 1442 D C -1.216 175.264 176.300 0.299 0.000 0.989 1442 D CA -0.252 53.901 54.000 0.255 0.000 0.921 1442 D CB 2.784 43.665 40.800 0.135 0.000 1.297 1442 D HN 0.578 nan 8.370 nan 0.000 0.490 1443 V N 0.436 120.469 119.914 0.199 0.000 2.604 1443 V HA 0.661 4.781 4.120 -0.000 0.000 0.305 1443 V C -0.143 176.009 176.094 0.095 0.000 1.043 1443 V CA -0.721 61.674 62.300 0.159 0.000 0.888 1443 V CB 1.627 33.549 31.823 0.165 0.000 0.995 1443 V HN 0.467 nan 8.190 nan 0.000 0.429 1444 M N 3.828 123.472 119.600 0.073 0.000 2.619 1444 M HA 0.653 5.133 4.480 -0.000 0.000 0.297 1444 M C -1.358 174.969 176.300 0.046 0.000 1.229 1444 M CA -0.547 54.784 55.300 0.052 0.000 0.860 1444 M CB 2.596 35.221 32.600 0.042 0.000 1.741 1444 M HN 0.552 nan 8.290 nan 0.000 0.462 1445 I N 0.970 121.564 120.570 0.039 0.000 2.291 1445 I HA 0.208 4.378 4.170 -0.000 0.000 0.292 1445 I C -0.189 175.942 176.117 0.023 0.000 1.064 1445 I CA -0.300 61.023 61.300 0.038 0.000 1.269 1445 I CB -0.248 37.774 38.000 0.036 0.000 1.418 1445 I HN 0.411 nan 8.210 nan 0.000 0.485 1446 D N 5.576 125.987 120.400 0.018 0.000 2.344 1446 D HA -0.029 4.611 4.640 -0.000 0.000 0.253 1446 D C 1.206 177.495 176.300 -0.019 0.000 1.255 1446 D CA 0.171 54.168 54.000 -0.006 0.000 0.894 1446 D CB 0.783 41.572 40.800 -0.018 0.000 1.067 1446 D HN 0.562 nan 8.370 nan 0.000 0.492 1447 E N 3.625 123.816 120.200 -0.015 0.000 2.160 1447 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 1447 E C 0.978 177.551 176.600 -0.046 0.000 0.991 1447 E CA 1.051 57.438 56.400 -0.020 0.000 0.810 1447 E CB 0.315 30.008 29.700 -0.012 0.000 0.742 1447 E HN 0.674 nan 8.360 nan 0.000 0.466 1448 E N 0.154 120.320 120.200 -0.057 0.000 2.005 1448 E HA -0.169 4.181 4.350 -0.000 0.000 0.198 1448 E C 2.090 178.602 176.600 -0.147 0.000 1.010 1448 E CA 1.853 58.204 56.400 -0.082 0.000 0.825 1448 E CB -0.124 29.532 29.700 -0.072 0.000 0.769 1448 E HN 0.308 nan 8.360 nan 0.000 0.456 1449 S N 0.958 116.542 115.700 -0.193 0.000 2.462 1449 S HA -0.187 4.283 4.470 -0.000 0.000 0.243 1449 S C 1.744 176.044 174.600 -0.501 0.000 1.003 1449 S CA 0.770 58.730 58.200 -0.400 0.000 0.970 1449 S CB -0.211 62.793 63.200 -0.327 0.000 0.762 1449 S HN 0.195 nan 8.310 nan 0.000 0.510 1450 L N 1.084 122.188 121.223 -0.198 0.000 2.675 1450 L HA 0.325 4.665 4.340 -0.000 0.000 0.239 1450 L C 1.285 178.127 176.870 -0.047 0.000 1.151 1450 L CA 0.394 55.196 54.840 -0.063 0.000 0.905 1450 L CB -0.108 41.954 42.059 0.006 0.000 1.057 1450 L HN 0.227 nan 8.230 nan 0.000 0.435 1451 V N -2.176 117.667 119.914 -0.118 0.000 3.137 1451 V HA 0.032 4.152 4.120 -0.000 0.000 0.236 1451 V C 2.053 178.112 176.094 -0.058 0.000 1.260 1451 V CA 0.244 62.510 62.300 -0.056 0.000 1.244 1451 V CB -0.109 31.683 31.823 -0.052 0.000 1.016 1451 V HN 0.206 nan 8.190 nan 0.000 0.477 1452 K N 0.082 120.387 120.400 -0.159 0.000 2.360 1452 K HA -0.104 4.216 4.320 -0.000 0.000 0.201 1452 K C 0.124 176.760 176.600 0.060 0.000 1.046 1452 K CA 1.189 57.411 56.287 -0.108 0.000 0.940 1452 K CB -0.187 32.189 32.500 -0.207 0.000 0.748 1452 K HN 0.520 nan 8.250 nan 0.000 0.465 1453 Y N 2.140 122.442 120.300 0.004 0.000 2.691 1453 Y HA 0.182 4.732 4.550 -0.000 0.000 0.338 1453 Y C 0.094 175.998 175.900 0.006 0.000 1.148 1453 Y CA -0.966 57.137 58.100 0.005 0.000 1.430 1453 Y CB -0.210 38.254 38.460 0.007 0.000 1.303 1453 Y HN 0.032 nan 8.280 nan 0.000 0.499 1454 M N 2.334 122.028 119.600 0.156 0.000 2.410 1454 M HA 0.308 4.788 4.480 -0.000 0.000 0.255 1454 M C -3.340 172.995 176.300 0.059 0.000 0.936 1454 M CA -1.238 54.113 55.300 0.086 0.000 0.828 1454 M CB 0.478 33.120 32.600 0.069 0.000 2.029 1454 M HN 0.179 nan 8.290 nan 0.000 0.537 1455 P HA 0.000 nan 4.420 nan 0.000 0.216 1455 P CA 0.000 63.118 63.100 0.030 0.000 0.800 1455 P CB 0.000 31.714 31.700 0.023 0.000 0.726