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 2ja7_1_M 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 0.000 176.096 176.094 0.003 0.000 1.182 2 V CA 0.000 62.299 62.300 -0.001 0.000 1.235 2 V CB 0.000 31.823 31.823 -0.001 0.000 1.184 3 G N 3.609 112.409 108.800 0.000 0.000 2.399 3 G HA2 -0.148 3.815 3.960 0.005 0.000 0.216 3 G HA3 -0.148 3.815 3.960 0.005 0.000 0.216 3 G C 0.221 175.122 174.900 0.002 0.000 1.096 3 G CA 0.954 46.055 45.100 0.002 0.000 0.650 3 G HN 1.933 nan 8.290 nan 0.000 0.512 4 Q N -0.740 119.064 119.800 0.006 0.000 3.117 4 Q HA -0.048 4.295 4.340 0.005 0.000 0.025 4 Q C -0.200 175.814 176.000 0.024 0.000 1.677 4 Q CA 0.770 56.578 55.803 0.008 0.000 0.231 4 Q CB -0.832 27.902 28.738 -0.007 0.000 1.698 4 Q HN 1.463 nan 8.270 nan 0.000 0.319 5 Q N -0.215 119.608 119.800 0.039 0.000 2.698 5 Q HA -0.179 4.164 4.340 0.005 0.000 0.196 5 Q C -1.343 174.721 176.000 0.106 0.000 1.408 5 Q CA 0.374 56.213 55.803 0.060 0.000 0.519 5 Q CB -0.430 28.326 28.738 0.030 0.000 0.672 5 Q HN 0.521 nan 8.270 nan 0.000 0.319 6 Y N 2.714 123.007 120.300 -0.010 0.000 2.597 6 Y HA 0.228 4.781 4.550 0.005 0.000 0.336 6 Y C 0.082 175.979 175.900 -0.004 0.000 1.216 6 Y CA 0.748 58.844 58.100 -0.007 0.000 1.463 6 Y CB 0.762 39.218 38.460 -0.006 0.000 1.303 6 Y HN 0.406 nan 8.280 nan 0.000 0.576 7 S N 2.765 118.163 115.700 -0.503 0.000 2.605 7 S HA 0.301 4.774 4.470 0.005 0.000 0.308 7 S C 0.151 174.282 174.600 -0.782 0.000 1.113 7 S CA -0.261 57.611 58.200 -0.546 0.000 1.049 7 S CB 0.945 64.020 63.200 -0.208 0.000 1.001 7 S HN 0.846 nan 8.310 nan 0.000 0.480 8 S N 1.973 117.242 115.700 -0.718 0.000 2.894 8 S HA 0.275 4.748 4.470 0.005 0.000 0.231 8 S C 0.712 175.199 174.600 -0.188 0.000 0.971 8 S CA -0.125 57.819 58.200 -0.426 0.000 1.005 8 S CB -0.856 62.201 63.200 -0.238 0.000 0.799 8 S HN 1.214 nan 8.310 nan 0.000 0.527 9 A N 3.231 125.946 122.820 -0.176 0.000 2.274 9 A HA 0.641 4.964 4.320 0.005 0.000 0.309 9 A C -1.580 175.980 177.584 -0.040 0.000 1.226 9 A CA -1.864 50.123 52.037 -0.083 0.000 0.853 9 A CB 0.175 19.131 19.000 -0.074 0.000 1.146 9 A HN 0.439 nan 8.150 nan 0.000 0.518 10 P HA 0.249 nan 4.420 nan 0.000 0.269 10 P C -0.751 176.551 177.300 0.004 0.000 1.217 10 P CA -0.032 63.072 63.100 0.007 0.000 0.783 10 P CB 0.704 32.407 31.700 0.005 0.000 0.898 11 L N 1.452 122.683 121.223 0.014 0.000 2.362 11 L HA 0.632 4.976 4.340 0.005 0.000 0.275 11 L C -0.340 176.532 176.870 0.004 0.000 0.998 11 L CA -0.594 54.251 54.840 0.008 0.000 0.820 11 L CB 1.795 43.865 42.059 0.017 0.000 1.270 11 L HN 0.325 nan 8.230 nan 0.000 0.415 12 R N 1.512 122.009 120.500 -0.005 0.000 2.922 12 R HA 0.656 4.999 4.340 0.005 0.000 0.256 12 R C -0.912 175.380 176.300 -0.014 0.000 1.138 12 R CA -0.555 55.540 56.100 -0.008 0.000 0.995 12 R CB 2.115 32.408 30.300 -0.011 0.000 1.226 12 R HN 0.781 nan 8.270 nan 0.000 0.481 13 T N -1.884 112.660 114.554 -0.017 0.000 2.929 13 T HA 0.409 4.762 4.350 0.005 0.000 0.284 13 T C 0.221 174.902 174.700 -0.031 0.000 1.014 13 T CA -0.750 61.336 62.100 -0.023 0.000 1.051 13 T CB 1.491 70.346 68.868 -0.022 0.000 1.028 13 T HN 0.137 nan 8.240 nan 0.000 0.485 14 V N 3.568 123.458 119.914 -0.039 0.000 2.572 14 V HA 0.174 4.297 4.120 0.005 0.000 0.291 14 V C 1.109 177.172 176.094 -0.051 0.000 1.039 14 V CA -0.036 62.233 62.300 -0.053 0.000 1.055 14 V CB 0.704 32.490 31.823 -0.063 0.000 0.969 14 V HN 0.903 nan 8.190 nan 0.000 0.482 15 K N 2.924 123.291 120.400 -0.055 0.000 2.387 15 K HA 0.310 4.633 4.320 0.005 0.000 0.197 15 K C 0.232 176.794 176.600 -0.062 0.000 1.127 15 K CA 0.362 56.620 56.287 -0.048 0.000 0.950 15 K CB 0.959 33.438 32.500 -0.036 0.000 1.017 15 K HN 0.728 nan 8.250 nan 0.000 0.519 16 E N 0.660 120.809 120.200 -0.085 0.000 2.369 16 E HA 0.413 4.766 4.350 0.005 0.000 0.270 16 E C -1.250 175.240 176.600 -0.184 0.000 0.909 16 E CA -0.832 55.499 56.400 -0.114 0.000 0.775 16 E CB 3.072 32.717 29.700 -0.092 0.000 1.270 16 E HN -0.284 nan 8.360 nan 0.000 0.445 17 V N 2.382 122.136 119.914 -0.267 0.000 2.380 17 V HA 0.156 4.279 4.120 0.005 0.000 0.286 17 V C -0.613 175.121 176.094 -0.600 0.000 1.015 17 V CA -0.793 61.233 62.300 -0.457 0.000 0.834 17 V CB 1.354 32.835 31.823 -0.570 0.000 1.009 17 V HN 0.549 nan 8.190 nan 0.000 0.428 18 Q N 3.929 123.422 119.800 -0.513 0.000 2.337 18 Q HA 0.441 4.784 4.340 0.005 0.000 0.255 18 Q C -0.809 174.883 176.000 -0.513 0.000 0.997 18 Q CA 0.007 55.522 55.803 -0.480 0.000 0.925 18 Q CB 1.146 29.547 28.738 -0.561 0.000 1.212 18 Q HN 0.623 nan 8.270 nan 0.000 0.436 19 F N 0.965 120.802 119.950 -0.189 0.000 2.410 19 F HA 0.535 5.065 4.527 0.005 0.000 0.348 19 F C 1.177 176.871 175.800 -0.177 0.000 1.106 19 F CA -0.235 57.665 58.000 -0.167 0.000 1.163 19 F CB 1.482 40.435 39.000 -0.079 0.000 1.129 19 F HN 0.522 nan 8.300 nan 0.000 0.516 20 G N 3.137 111.932 108.800 -0.008 0.000 3.021 20 G HA2 0.786 4.749 3.960 0.005 0.000 0.290 20 G HA3 0.786 4.749 3.960 0.005 0.000 0.290 20 G C -1.831 173.009 174.900 -0.101 0.000 1.291 20 G CA -0.849 44.206 45.100 -0.076 0.000 0.834 20 G HN 0.468 nan 8.290 nan 0.000 0.564 21 L N -0.104 121.009 121.223 -0.183 0.000 2.464 21 L HA 0.427 4.770 4.340 0.005 0.000 0.266 21 L C -1.017 175.577 176.870 -0.459 0.000 0.965 21 L CA -0.588 54.153 54.840 -0.165 0.000 0.833 21 L CB 2.729 44.843 42.059 0.093 0.000 1.296 21 L HN 0.453 nan 8.230 nan 0.000 0.405 22 F N 1.609 121.353 119.950 -0.343 0.000 2.578 22 F HA 0.049 4.579 4.527 0.005 0.000 0.381 22 F C 1.090 176.491 175.800 -0.665 0.000 1.069 22 F CA -0.007 57.734 58.000 -0.431 0.000 1.231 22 F CB 1.051 39.908 39.000 -0.237 0.000 1.086 22 F HN 0.485 nan 8.300 nan 0.000 0.564 23 S N 6.040 121.417 115.700 -0.538 0.000 2.465 23 S HA 0.212 4.686 4.470 0.005 0.000 0.279 23 S C -1.565 173.078 174.600 0.071 0.000 1.201 23 S CA -1.431 56.505 58.200 -0.440 0.000 1.053 23 S CB 1.313 64.457 63.200 -0.094 0.000 0.953 23 S HN 0.434 nan 8.310 nan 0.000 0.488 24 P HA -0.258 nan 4.420 nan 0.000 0.220 24 P C 0.912 178.281 177.300 0.115 0.000 1.155 24 P CA 1.675 64.864 63.100 0.148 0.000 0.880 24 P CB 0.118 31.931 31.700 0.188 0.000 0.790 25 E N -0.014 120.283 120.200 0.161 0.000 2.058 25 E HA -0.205 4.149 4.350 0.005 0.000 0.194 25 E C 2.254 178.895 176.600 0.069 0.000 0.997 25 E CA 1.511 57.982 56.400 0.119 0.000 0.801 25 E CB -0.740 29.052 29.700 0.153 0.000 0.746 25 E HN 0.504 nan 8.360 nan 0.000 0.450 26 E N 0.452 120.699 120.200 0.078 0.000 2.007 26 E HA -0.197 4.156 4.350 0.005 0.000 0.194 26 E C 2.046 178.628 176.600 -0.031 0.000 0.999 26 E CA 1.618 58.055 56.400 0.062 0.000 0.811 26 E CB -0.067 29.718 29.700 0.142 0.000 0.762 26 E HN 0.056 nan 8.360 nan 0.000 0.450 27 V N 1.497 121.335 119.914 -0.126 0.000 2.280 27 V HA -0.403 3.720 4.120 0.005 0.000 0.258 27 V C 2.552 178.523 176.094 -0.205 0.000 1.081 27 V CA 2.598 64.704 62.300 -0.325 0.000 1.070 27 V CB -0.755 30.904 31.823 -0.272 0.000 0.666 27 V HN 0.332 nan 8.190 nan 0.000 0.450 28 R N -0.250 120.171 120.500 -0.132 0.000 2.070 28 R HA -0.126 4.217 4.340 0.005 0.000 0.232 28 R C 2.521 178.687 176.300 -0.223 0.000 1.138 28 R CA 1.498 57.454 56.100 -0.241 0.000 0.936 28 R CB -0.826 29.418 30.300 -0.093 0.000 0.839 28 R HN 0.548 nan 8.270 nan 0.000 0.429 29 A N 1.847 124.605 122.820 -0.104 0.000 1.870 29 A HA -0.251 4.072 4.320 0.005 0.000 0.219 29 A C 2.230 179.769 177.584 -0.075 0.000 1.224 29 A CA 1.843 53.841 52.037 -0.065 0.000 0.650 29 A CB -0.900 18.091 19.000 -0.015 0.000 0.836 29 A HN 0.252 nan 8.150 nan 0.000 0.454 30 I N -0.288 120.239 120.570 -0.071 0.000 2.113 30 I HA -0.209 3.964 4.170 0.005 0.000 0.242 30 I C 1.729 177.823 176.117 -0.039 0.000 1.064 30 I CA 1.149 62.420 61.300 -0.048 0.000 1.320 30 I CB -0.562 37.391 38.000 -0.078 0.000 1.028 30 I HN 0.393 nan 8.210 nan 0.000 0.406 31 S N 0.135 115.777 115.700 -0.096 0.000 2.554 31 S HA 0.013 4.486 4.470 0.005 0.000 0.290 31 S C 0.560 175.129 174.600 -0.052 0.000 1.309 31 S CA 0.216 58.376 58.200 -0.066 0.000 1.047 31 S CB 0.923 63.999 63.200 -0.206 0.000 0.828 31 S HN 0.264 nan 8.310 nan 0.000 0.509 32 V N 1.404 121.330 119.914 0.020 0.000 3.166 32 V HA 0.794 4.917 4.120 0.005 0.000 0.332 32 V C -0.075 176.043 176.094 0.040 0.000 1.434 32 V CA 0.239 62.547 62.300 0.012 0.000 1.121 32 V CB -0.258 31.567 31.823 0.004 0.000 1.062 32 V HN 0.978 nan 8.190 nan 0.000 0.489 33 A N 0.239 123.113 122.820 0.090 0.000 2.437 33 A HA 0.808 5.131 4.320 0.005 0.000 0.293 33 A C 0.309 178.040 177.584 0.244 0.000 1.038 33 A CA -0.504 51.608 52.037 0.125 0.000 0.708 33 A CB 1.899 20.955 19.000 0.093 0.000 1.251 33 A HN 0.048 nan 8.150 nan 0.000 0.409 34 K N 1.234 121.748 120.400 0.189 0.000 2.057 34 K HA 0.153 4.476 4.320 0.005 0.000 0.206 34 K C 0.492 177.113 176.600 0.035 0.000 1.050 34 K CA 1.129 57.524 56.287 0.180 0.000 0.935 34 K CB -0.449 32.132 32.500 0.136 0.000 0.715 34 K HN 0.856 nan 8.250 nan 0.000 0.439 35 I N 1.101 121.716 120.570 0.075 0.000 7.533 35 I HA -0.384 3.789 4.170 0.005 0.000 0.126 35 I C 0.562 176.704 176.117 0.042 0.000 1.830 35 I CA 0.170 61.502 61.300 0.054 0.000 2.068 35 I CB -0.545 37.457 38.000 0.004 0.000 3.648 35 I HN 0.243 nan 8.210 nan 0.000 0.179 36 R N 2.143 122.738 120.500 0.159 0.000 2.142 36 R HA 0.242 4.585 4.340 0.005 0.000 0.204 36 R C 0.333 176.629 176.300 -0.007 0.000 1.059 36 R CA 0.626 56.755 56.100 0.048 0.000 1.055 36 R CB 0.236 30.541 30.300 0.009 0.000 0.976 36 R HN 0.232 nan 8.270 nan 0.000 0.483 37 F N 1.719 121.652 119.950 -0.028 0.000 2.371 37 F HA 0.247 4.777 4.527 0.006 0.000 0.329 37 F C -1.288 174.497 175.800 -0.025 0.000 1.107 37 F CA -2.689 55.297 58.000 -0.023 0.000 1.137 37 F CB 0.547 39.537 39.000 -0.017 0.000 1.214 37 F HN -0.113 nan 8.300 nan 0.000 0.536 38 P HA 0.055 nan 4.420 nan 0.000 0.252 38 P C -0.321 177.025 177.300 0.076 0.000 1.211 38 P CA 0.395 63.538 63.100 0.072 0.000 0.824 38 P CB 0.485 32.199 31.700 0.024 0.000 1.077 39 E N -0.147 120.117 120.200 0.105 0.000 2.435 39 E HA 0.072 4.425 4.350 0.005 0.000 0.256 39 E C 0.763 177.396 176.600 0.054 0.000 1.245 39 E CA 0.340 56.783 56.400 0.072 0.000 0.989 39 E CB 0.228 29.978 29.700 0.082 0.000 0.983 39 E HN -0.049 nan 8.360 nan 0.000 0.480 40 T N -0.193 114.384 114.554 0.039 0.000 2.990 40 T HA 0.087 4.441 4.350 0.005 0.000 0.237 40 T C 1.180 175.876 174.700 -0.006 0.000 1.009 40 T CA 0.820 62.936 62.100 0.026 0.000 1.195 40 T CB 0.165 69.059 68.868 0.043 0.000 0.885 40 T HN 0.374 nan 8.240 nan 0.000 0.424 41 M N -0.375 119.218 119.600 -0.010 0.000 2.036 41 M HA 0.332 4.815 4.480 0.005 0.000 0.402 41 M C -1.157 175.124 176.300 -0.031 0.000 2.195 41 M CA -0.649 54.633 55.300 -0.031 0.000 1.457 41 M CB 0.295 32.880 32.600 -0.026 0.000 2.935 41 M HN -0.228 nan 8.290 nan 0.000 0.901 42 D N 3.631 124.018 120.400 -0.022 0.000 3.651 42 D HA -0.134 4.509 4.640 0.005 0.000 0.191 42 D C -0.690 175.595 176.300 -0.025 0.000 1.196 42 D CA 0.838 54.828 54.000 -0.018 0.000 0.897 42 D CB -0.426 40.371 40.800 -0.005 0.000 0.872 42 D HN 0.474 nan 8.370 nan 0.000 0.441 43 E N 0.614 120.793 120.200 -0.036 0.000 3.079 43 E HA 0.043 4.396 4.350 0.005 0.000 0.267 43 E C 0.104 176.690 176.600 -0.023 0.000 1.509 43 E CA 0.027 56.401 56.400 -0.043 0.000 1.630 43 E CB -0.250 29.420 29.700 -0.050 0.000 1.373 43 E HN 0.318 nan 8.360 nan 0.000 0.439 44 T N 0.606 115.153 114.554 -0.012 0.000 4.274 44 T HA -0.172 4.181 4.350 0.005 0.000 0.351 44 T C 0.497 175.195 174.700 -0.003 0.000 0.755 44 T CA 0.483 62.581 62.100 -0.003 0.000 2.004 44 T CB -1.559 67.308 68.868 -0.002 0.000 1.858 44 T HN 0.636 nan 8.240 nan 0.000 0.939 45 Q N -2.262 117.536 119.800 -0.003 0.000 2.608 45 Q HA -0.190 4.153 4.340 0.005 0.000 0.154 45 Q C 0.307 176.303 176.000 -0.006 0.000 1.090 45 Q CA 1.943 57.745 55.803 -0.002 0.000 1.183 45 Q CB -1.815 26.924 28.738 0.001 0.000 1.087 45 Q HN 0.743 nan 8.270 nan 0.000 1.015 46 T N 2.784 117.333 114.554 -0.010 0.000 2.831 46 T HA 0.092 4.445 4.350 0.005 0.000 0.291 46 T C 0.251 174.941 174.700 -0.017 0.000 0.981 46 T CA 0.317 62.409 62.100 -0.013 0.000 1.174 46 T CB 0.197 69.056 68.868 -0.016 0.000 0.929 46 T HN 0.108 nan 8.240 nan 0.000 0.532 47 R N 2.266 122.756 120.500 -0.015 0.000 2.442 47 R HA 0.540 4.883 4.340 0.005 0.000 0.291 47 R C 0.513 176.799 176.300 -0.024 0.000 1.069 47 R CA -0.142 55.947 56.100 -0.018 0.000 1.022 47 R CB 0.518 30.809 30.300 -0.015 0.000 0.976 47 R HN 0.828 nan 8.270 nan 0.000 0.443 48 A N 2.601 125.403 122.820 -0.029 0.000 5.135 48 A HA 0.268 4.591 4.320 0.005 0.000 0.139 48 A C -1.524 176.036 177.584 -0.040 0.000 1.111 48 A CA -0.808 51.208 52.037 -0.034 0.000 1.215 48 A CB 0.672 19.650 19.000 -0.037 0.000 1.926 48 A HN 0.525 nan 8.150 nan 0.000 0.927 49 K N 0.130 120.500 120.400 -0.051 0.000 2.535 49 K HA 0.643 4.966 4.320 0.005 0.000 0.251 49 K C -1.425 175.121 176.600 -0.090 0.000 0.942 49 K CA -0.381 55.870 56.287 -0.060 0.000 0.798 49 K CB 2.282 34.752 32.500 -0.050 0.000 1.267 49 K HN 0.543 nan 8.250 nan 0.000 0.434 50 I N 1.073 121.569 120.570 -0.123 0.000 2.581 50 I HA 0.092 4.266 4.170 0.005 0.000 0.288 50 I C 1.469 177.447 176.117 -0.232 0.000 1.047 50 I CA -0.103 61.068 61.300 -0.215 0.000 1.374 50 I CB 1.113 38.922 38.000 -0.317 0.000 1.423 50 I HN 0.896 nan 8.210 nan 0.000 0.549 51 G N 4.032 112.670 108.800 -0.269 0.000 3.327 51 G HA2 0.108 4.071 3.960 0.005 0.000 0.218 51 G HA3 0.108 4.071 3.960 0.005 0.000 0.218 51 G C 0.817 175.589 174.900 -0.213 0.000 1.261 51 G CA 0.479 45.465 45.100 -0.191 0.000 1.438 51 G HN 0.948 nan 8.290 nan 0.000 0.530 52 G N -0.330 108.326 108.800 -0.241 0.000 2.598 52 G HA2 0.408 4.371 3.960 0.005 0.000 0.225 52 G HA3 0.408 4.371 3.960 0.005 0.000 0.225 52 G C 0.406 175.342 174.900 0.059 0.000 1.631 52 G CA -0.184 44.896 45.100 -0.034 0.000 0.821 52 G HN 0.394 nan 8.290 nan 0.000 0.610 53 L N 0.364 121.604 121.223 0.028 0.000 2.421 53 L HA 0.385 4.728 4.340 0.005 0.000 0.267 53 L C -0.247 176.620 176.870 -0.004 0.000 1.036 53 L CA -0.761 54.093 54.840 0.023 0.000 0.829 53 L CB 1.168 43.245 42.059 0.032 0.000 1.437 53 L HN 0.682 nan 8.230 nan 0.000 0.488 54 N N 0.992 119.687 118.700 -0.009 0.000 1.982 54 N HA -0.250 4.493 4.740 0.005 0.000 0.354 54 N C -0.515 174.981 175.510 -0.023 0.000 1.170 54 N CA 1.172 54.211 53.050 -0.020 0.000 0.800 54 N CB -0.579 37.892 38.487 -0.027 0.000 1.027 54 N HN 0.750 nan 8.380 nan 0.000 0.549 55 D N -0.253 120.137 120.400 -0.016 0.000 2.865 55 D HA -0.073 4.570 4.640 0.005 0.000 0.231 55 D C -2.225 174.060 176.300 -0.024 0.000 1.069 55 D CA 0.351 54.341 54.000 -0.015 0.000 0.761 55 D CB -0.783 40.005 40.800 -0.022 0.000 1.081 55 D HN 0.578 nan 8.370 nan 0.000 0.440 56 P HA 0.268 nan 4.420 nan 0.000 0.255 56 P C 0.391 177.685 177.300 -0.010 0.000 1.301 56 P CA 0.385 63.473 63.100 -0.019 0.000 0.817 56 P CB 0.397 32.103 31.700 0.010 0.000 1.259 57 R N -4.809 115.684 120.500 -0.011 0.000 2.109 57 R HA -0.000 4.343 4.340 0.005 0.000 0.065 57 R C 0.359 176.649 176.300 -0.016 0.000 0.638 57 R CA -0.129 55.959 56.100 -0.021 0.000 2.173 57 R CB -1.092 29.197 30.300 -0.020 0.000 0.848 57 R HN 0.053 nan 8.270 nan 0.000 0.562 58 L N 1.307 122.539 121.223 0.016 0.000 2.367 58 L HA 0.422 4.766 4.340 0.005 0.000 0.215 58 L C 1.379 178.295 176.870 0.077 0.000 1.197 58 L CA 1.242 56.121 54.840 0.064 0.000 0.836 58 L CB -0.342 41.747 42.059 0.050 0.000 1.242 58 L HN 0.210 nan 8.230 nan 0.000 0.553 59 G N 0.082 108.966 108.800 0.139 0.000 2.347 59 G HA2 0.298 4.261 3.960 0.005 0.000 0.426 59 G HA3 0.298 4.261 3.960 0.005 0.000 0.426 59 G C -0.251 174.671 174.900 0.037 0.000 1.302 59 G CA 0.501 45.666 45.100 0.109 0.000 1.226 59 G HN 1.213 nan 8.290 nan 0.000 0.684 60 S N -2.358 113.352 115.700 0.017 0.000 2.973 60 S HA 0.777 5.250 4.470 0.005 0.000 0.317 60 S C -0.201 174.389 174.600 -0.016 0.000 1.196 60 S CA -0.454 57.744 58.200 -0.003 0.000 0.894 60 S CB 1.242 64.441 63.200 -0.002 0.000 1.292 60 S HN 0.673 nan 8.310 nan 0.000 0.614 61 I N -1.222 119.335 120.570 -0.022 0.000 4.236 61 I HA 0.416 4.589 4.170 0.005 0.000 0.242 61 I C -0.447 175.655 176.117 -0.026 0.000 0.967 61 I CA -0.832 60.451 61.300 -0.030 0.000 1.546 61 I CB 0.088 38.064 38.000 -0.040 0.000 1.156 61 I HN 0.732 nan 8.210 nan 0.000 0.379 62 D N 2.095 122.477 120.400 -0.030 0.000 2.859 62 D HA -0.221 4.422 4.640 0.005 0.000 0.225 62 D C -0.177 176.111 176.300 -0.019 0.000 1.168 62 D CA 1.054 55.039 54.000 -0.026 0.000 0.665 62 D CB -0.333 40.453 40.800 -0.025 0.000 1.059 62 D HN 0.466 nan 8.370 nan 0.000 0.418 63 R N -0.779 119.711 120.500 -0.017 0.000 3.188 63 R HA -0.192 4.151 4.340 0.005 0.000 0.247 63 R C -0.764 175.530 176.300 -0.011 0.000 0.918 63 R CA 0.636 56.728 56.100 -0.013 0.000 0.629 63 R CB -1.553 28.740 30.300 -0.011 0.000 1.087 63 R HN 0.244 nan 8.270 nan 0.000 0.462 64 N N 1.230 119.924 118.700 -0.010 0.000 2.519 64 N HA 0.191 4.934 4.740 0.005 0.000 0.286 64 N C 1.324 176.829 175.510 -0.007 0.000 1.079 64 N CA -0.603 52.441 53.050 -0.010 0.000 0.878 64 N CB 1.247 39.726 38.487 -0.012 0.000 1.375 64 N HN 0.015 nan 8.380 nan 0.000 0.514 65 L N 1.468 122.688 121.223 -0.005 0.000 2.229 65 L HA -0.337 4.006 4.340 0.005 0.000 0.250 65 L C 0.540 177.408 176.870 -0.002 0.000 1.110 65 L CA 1.626 56.464 54.840 -0.003 0.000 0.838 65 L CB -0.744 41.312 42.059 -0.005 0.000 0.962 65 L HN 0.542 nan 8.230 nan 0.000 0.437 66 K N -0.386 120.009 120.400 -0.008 0.000 2.371 66 K HA -0.244 4.079 4.320 0.005 0.000 0.242 66 K C -0.228 176.367 176.600 -0.008 0.000 1.060 66 K CA 0.542 56.821 56.287 -0.013 0.000 1.136 66 K CB -0.500 31.990 32.500 -0.017 0.000 0.721 66 K HN 0.465 nan 8.250 nan 0.000 0.481 67 c N 3.561 122.151 118.600 -0.016 0.000 3.208 67 c HA 0.111 4.684 4.570 0.005 0.000 0.250 67 c C -0.595 173.434 174.090 -0.101 0.000 2.195 67 c CA -0.268 56.054 56.329 -0.013 0.000 1.303 67 c CB -0.865 41.679 42.510 0.057 0.000 2.376 67 c HN 1.034 nan 8.230 nan 0.000 0.545 68 Q N 0.094 119.843 119.800 -0.085 0.000 2.441 68 Q HA -0.160 4.183 4.340 0.005 0.000 0.300 68 Q C 0.878 176.828 176.000 -0.082 0.000 1.419 68 Q CA 0.786 56.528 55.803 -0.102 0.000 0.751 68 Q CB -1.871 26.762 28.738 -0.175 0.000 1.107 68 Q HN 0.727 nan 8.270 nan 0.000 0.385 69 T N -3.132 111.391 114.554 -0.052 0.000 10.123 69 T HA -0.430 3.924 4.350 0.005 0.000 0.405 69 T C 1.438 176.118 174.700 -0.034 0.000 1.550 69 T CA 1.802 63.880 62.100 -0.037 0.000 2.509 69 T CB -1.791 67.056 68.868 -0.035 0.000 2.883 69 T HN 0.941 nan 8.240 nan 0.000 1.132 70 C N 3.026 122.295 119.300 -0.051 0.000 2.380 70 C HA -0.162 4.301 4.460 0.005 0.000 0.302 70 C C 2.062 177.050 174.990 -0.002 0.000 1.361 70 C CA 1.904 60.903 59.018 -0.032 0.000 1.819 70 C CB -2.094 25.613 27.740 -0.054 0.000 1.868 70 C HN 0.924 nan 8.230 nan 0.000 0.547 71 Q N -0.569 119.228 119.800 -0.006 0.000 1.890 71 Q HA -0.425 3.918 4.340 0.005 0.000 0.435 71 Q C 0.831 176.839 176.000 0.013 0.000 0.839 71 Q CA 2.144 57.948 55.803 0.001 0.000 0.778 71 Q CB -1.304 27.432 28.738 -0.003 0.000 3.954 71 Q HN 0.515 nan 8.270 nan 0.000 0.790 72 E N -1.416 118.790 120.200 0.009 0.000 5.003 72 E HA -0.294 4.059 4.350 0.005 0.000 0.166 72 E C 0.869 177.476 176.600 0.011 0.000 1.244 72 E CA 2.796 59.203 56.400 0.011 0.000 2.281 72 E CB -2.084 27.628 29.700 0.020 0.000 1.825 72 E HN 1.846 nan 8.360 nan 0.000 0.420 73 G N 1.053 109.863 108.800 0.016 0.000 2.825 73 G HA2 -0.221 3.742 3.960 0.005 0.000 0.686 73 G HA3 -0.221 3.742 3.960 0.005 0.000 0.686 73 G C 0.829 175.735 174.900 0.009 0.000 1.362 73 G CA 1.297 46.405 45.100 0.012 0.000 0.975 73 G HN 0.297 nan 8.290 nan 0.000 0.594 74 M N 0.053 119.657 119.600 0.007 0.000 3.112 74 M HA -0.376 4.107 4.480 0.005 0.000 0.287 74 M C 1.435 177.734 176.300 -0.002 0.000 0.417 74 M CA 2.603 57.902 55.300 -0.001 0.000 0.788 74 M CB -1.009 31.587 32.600 -0.007 0.000 1.779 74 M HN 0.885 nan 8.290 nan 0.000 0.505 75 N N 1.122 119.820 118.700 -0.003 0.000 2.415 75 N HA 0.131 4.874 4.740 0.005 0.000 0.250 75 N C 0.121 175.631 175.510 0.000 0.000 1.127 75 N CA 1.243 54.291 53.050 -0.004 0.000 0.945 75 N CB 1.213 39.697 38.487 -0.005 0.000 1.196 75 N HN 0.548 nan 8.380 nan 0.000 0.499 76 E N 1.783 121.983 120.200 0.001 0.000 2.926 76 E HA -0.153 4.200 4.350 0.005 0.000 0.177 76 E C -1.001 175.606 176.600 0.012 0.000 0.574 76 E CA 0.079 56.482 56.400 0.005 0.000 2.516 76 E CB -1.410 28.295 29.700 0.009 0.000 2.782 76 E HN 0.426 nan 8.360 nan 0.000 0.716 77 c N 5.295 123.908 118.600 0.022 0.000 2.252 77 c HA 0.623 5.196 4.570 0.005 0.000 0.342 77 c C -1.611 172.461 174.090 -0.030 0.000 1.110 77 c CA -1.451 54.907 56.329 0.048 0.000 1.581 77 c CB -0.667 41.908 42.510 0.109 0.000 2.087 77 c HN 0.339 nan 8.230 nan 0.000 0.500 78 P HA 0.246 nan 4.420 nan 0.000 0.280 78 P C 0.382 177.508 177.300 -0.291 0.000 1.278 78 P CA 0.287 63.304 63.100 -0.138 0.000 0.787 78 P CB 0.516 32.147 31.700 -0.115 0.000 1.163 79 G N -0.897 107.766 108.800 -0.228 0.000 2.539 79 G HA2 0.239 4.202 3.960 0.005 0.000 0.258 79 G HA3 0.239 4.202 3.960 0.005 0.000 0.258 79 G C -0.511 174.141 174.900 -0.414 0.000 1.202 79 G CA -0.318 44.626 45.100 -0.261 0.000 0.851 79 G HN 0.576 nan 8.290 nan 0.000 0.556 80 H N 1.094 120.194 119.070 0.049 0.000 2.786 80 H HA 0.202 4.761 4.556 0.005 0.000 0.284 80 H C -0.335 175.067 175.328 0.123 0.000 1.104 80 H CA -0.712 55.403 56.048 0.111 0.000 1.339 80 H CB 0.565 30.361 29.762 0.057 0.000 1.427 80 H HN 0.252 nan 8.280 nan 0.000 0.497 81 F N 1.499 121.480 119.950 0.052 0.000 2.647 81 F HA 0.085 4.615 4.527 0.005 0.000 0.363 81 F C 1.573 177.393 175.800 0.032 0.000 1.130 81 F CA 1.215 59.229 58.000 0.024 0.000 1.351 81 F CB 0.539 39.523 39.000 -0.025 0.000 1.026 81 F HN 0.529 nan 8.300 nan 0.000 0.607 82 G N 0.981 109.868 108.800 0.145 0.000 2.788 82 G HA2 0.642 4.605 3.960 0.005 0.000 0.293 82 G HA3 0.642 4.605 3.960 0.005 0.000 0.293 82 G C -1.514 173.516 174.900 0.216 0.000 1.305 82 G CA -0.687 44.505 45.100 0.153 0.000 1.005 82 G HN 0.877 nan 8.290 nan 0.000 0.496 83 H N -2.485 116.598 119.070 0.021 0.000 2.960 83 H HA 0.812 5.371 4.556 0.005 0.000 0.303 83 H C -1.455 173.874 175.328 0.001 0.000 1.412 83 H CA -1.230 54.821 56.048 0.005 0.000 1.227 83 H CB 2.527 32.282 29.762 -0.011 0.000 1.912 83 H HN 0.567 nan 8.280 nan 0.000 0.583 84 I N 1.934 122.332 120.570 -0.288 0.000 2.651 84 I HA 0.056 4.229 4.170 0.005 0.000 0.277 84 I C -1.500 174.481 176.117 -0.228 0.000 1.290 84 I CA -0.566 60.541 61.300 -0.323 0.000 1.120 84 I CB 1.328 39.237 38.000 -0.152 0.000 1.373 84 I HN 0.707 nan 8.210 nan 0.000 0.452 85 D N 8.551 128.786 120.400 -0.274 0.000 2.412 85 D HA 0.187 4.830 4.640 0.005 0.000 0.257 85 D C 0.508 176.771 176.300 -0.062 0.000 1.217 85 D CA 0.265 54.202 54.000 -0.104 0.000 0.897 85 D CB 1.206 41.965 40.800 -0.069 0.000 1.132 85 D HN 0.407 nan 8.370 nan 0.000 0.493 86 L N 1.136 122.343 121.223 -0.026 0.000 2.456 86 L HA 0.105 4.448 4.340 0.005 0.000 0.246 86 L C 1.753 178.618 176.870 -0.008 0.000 1.238 86 L CA -0.347 54.484 54.840 -0.015 0.000 0.826 86 L CB 0.204 42.263 42.059 0.001 0.000 1.150 86 L HN 0.412 nan 8.230 nan 0.000 0.514 87 A N -0.050 122.767 122.820 -0.005 0.000 1.909 87 A HA 0.184 4.507 4.320 0.005 0.000 0.209 87 A C 0.679 178.263 177.584 -0.001 0.000 1.247 87 A CA 0.726 52.763 52.037 -0.000 0.000 0.660 87 A CB 0.266 19.264 19.000 -0.004 0.000 0.910 87 A HN 0.650 nan 8.150 nan 0.000 0.465 88 K N 0.231 120.627 120.400 -0.007 0.000 2.498 88 K HA 0.390 4.713 4.320 0.005 0.000 0.254 88 K C -3.027 173.560 176.600 -0.022 0.000 0.933 88 K CA -2.343 53.936 56.287 -0.014 0.000 0.806 88 K CB 2.276 34.763 32.500 -0.022 0.000 1.301 88 K HN 0.039 nan 8.250 nan 0.000 0.432 89 P HA -0.088 nan 4.420 nan 0.000 0.263 89 P C -0.656 176.597 177.300 -0.078 0.000 1.168 89 P CA 0.089 63.172 63.100 -0.028 0.000 0.759 89 P CB 0.448 32.132 31.700 -0.027 0.000 0.782 90 V N 3.441 123.329 119.914 -0.042 0.000 2.962 90 V HA 0.361 4.484 4.120 0.005 0.000 0.313 90 V C 0.436 176.571 176.094 0.069 0.000 1.099 90 V CA -0.717 61.545 62.300 -0.063 0.000 0.971 90 V CB 1.551 33.381 31.823 0.012 0.000 1.028 90 V HN 0.296 nan 8.190 nan 0.000 0.430 91 F N 1.056 121.034 119.950 0.047 0.000 2.408 91 F HA 0.309 4.839 4.527 0.005 0.000 0.303 91 F C 0.877 176.733 175.800 0.095 0.000 1.268 91 F CA -0.455 57.581 58.000 0.060 0.000 1.218 91 F CB 0.066 39.094 39.000 0.047 0.000 1.283 91 F HN 0.545 nan 8.300 nan 0.000 0.545 92 H N 0.958 120.126 119.070 0.163 0.000 2.632 92 H HA 0.321 4.880 4.556 0.005 0.000 0.258 92 H C 0.772 175.992 175.328 -0.181 0.000 1.278 92 H CA -0.483 55.505 56.048 -0.100 0.000 1.352 92 H CB 0.658 30.228 29.762 -0.319 0.000 1.418 92 H HN 0.444 nan 8.280 nan 0.000 0.513 93 V N 3.019 122.837 119.914 -0.159 0.000 2.346 93 V HA -0.407 3.717 4.120 0.005 0.000 0.264 93 V C 2.189 178.099 176.094 -0.308 0.000 1.132 93 V CA 2.332 64.517 62.300 -0.192 0.000 1.114 93 V CB -1.257 30.468 31.823 -0.164 0.000 0.780 93 V HN 0.796 nan 8.190 nan 0.000 0.456 94 G N -2.163 106.204 108.800 -0.721 0.000 2.603 94 G HA2 0.090 4.053 3.960 0.005 0.000 0.214 94 G HA3 0.090 4.053 3.960 0.005 0.000 0.214 94 G C 1.329 176.097 174.900 -0.220 0.000 1.140 94 G CA 0.392 45.163 45.100 -0.548 0.000 0.800 94 G HN 0.560 nan 8.290 nan 0.000 0.533 95 F N 0.367 120.090 119.950 -0.378 0.000 2.512 95 F HA 0.185 4.715 4.527 0.005 0.000 0.296 95 F C 2.435 178.128 175.800 -0.179 0.000 1.110 95 F CA -0.473 57.420 58.000 -0.177 0.000 1.446 95 F CB 0.023 39.000 39.000 -0.038 0.000 1.092 95 F HN 0.017 nan 8.300 nan 0.000 0.554 96 I N 0.950 121.487 120.570 -0.056 0.000 2.130 96 I HA -0.501 3.672 4.170 0.005 0.000 0.241 96 I C 2.783 178.821 176.117 -0.131 0.000 1.023 96 I CA 1.561 62.718 61.300 -0.238 0.000 1.293 96 I CB -0.811 37.086 38.000 -0.173 0.000 1.001 96 I HN 0.164 nan 8.210 nan 0.000 0.407 97 A N 0.245 123.038 122.820 -0.046 0.000 1.894 97 A HA -0.345 3.978 4.320 0.005 0.000 0.220 97 A C 2.337 179.915 177.584 -0.009 0.000 1.237 97 A CA 2.585 54.608 52.037 -0.022 0.000 0.660 97 A CB -0.718 18.276 19.000 -0.010 0.000 0.835 97 A HN 0.437 nan 8.150 nan 0.000 0.461 98 K N -1.009 119.393 120.400 0.003 0.000 1.991 98 K HA 0.032 4.355 4.320 0.005 0.000 0.207 98 K C 1.962 178.632 176.600 0.116 0.000 1.045 98 K CA 1.231 57.548 56.287 0.050 0.000 0.937 98 K CB -0.399 32.066 32.500 -0.059 0.000 0.720 98 K HN 0.540 nan 8.250 nan 0.000 0.438 99 I N 1.784 122.381 120.570 0.045 0.000 2.182 99 I HA -0.427 3.746 4.170 0.005 0.000 0.248 99 I C 2.666 178.880 176.117 0.162 0.000 1.073 99 I CA 1.511 62.845 61.300 0.057 0.000 1.335 99 I CB -0.428 37.388 38.000 -0.306 0.000 1.031 99 I HN 0.273 nan 8.210 nan 0.000 0.420 100 K N 1.741 122.174 120.400 0.054 0.000 1.980 100 K HA -0.166 4.158 4.320 0.005 0.000 0.208 100 K C 1.965 178.698 176.600 0.222 0.000 1.043 100 K CA 1.492 57.848 56.287 0.114 0.000 0.938 100 K CB -0.194 32.340 32.500 0.058 0.000 0.724 100 K HN 0.224 nan 8.250 nan 0.000 0.438 101 K N 0.729 121.264 120.400 0.225 0.000 2.442 101 K HA -0.100 4.223 4.320 0.005 0.000 0.200 101 K C 1.895 178.756 176.600 0.435 0.000 1.045 101 K CA 0.826 57.313 56.287 0.332 0.000 0.937 101 K CB 0.072 32.532 32.500 -0.067 0.000 0.757 101 K HN 0.032 nan 8.250 nan 0.000 0.474 102 V N -0.073 120.064 119.914 0.372 0.000 2.379 102 V HA -0.220 3.903 4.120 0.005 0.000 0.243 102 V C 2.304 178.489 176.094 0.151 0.000 1.035 102 V CA 1.151 63.629 62.300 0.298 0.000 1.035 102 V CB -0.211 31.730 31.823 0.197 0.000 0.673 102 V HN 0.398 nan 8.190 nan 0.000 0.457 103 C N 0.453 119.871 119.300 0.197 0.000 2.398 103 C HA -0.194 4.269 4.460 0.005 0.000 0.276 103 C C 2.554 177.598 174.990 0.091 0.000 1.222 103 C CA 1.226 60.325 59.018 0.134 0.000 1.746 103 C CB -1.090 26.772 27.740 0.204 0.000 2.039 103 C HN 0.606 nan 8.230 nan 0.000 0.470 104 E N -1.128 119.153 120.200 0.135 0.000 2.463 104 E HA -0.164 4.190 4.350 0.005 0.000 0.201 104 E C 1.707 178.321 176.600 0.024 0.000 1.045 104 E CA 0.675 57.112 56.400 0.062 0.000 0.872 104 E CB -0.109 29.650 29.700 0.099 0.000 0.797 104 E HN 0.697 nan 8.360 nan 0.000 0.538 105 C N 0.098 119.452 119.300 0.089 0.000 3.019 105 C HA 0.210 4.673 4.460 0.005 0.000 0.295 105 C C 0.613 175.612 174.990 0.015 0.000 1.256 105 C CA -0.343 58.715 59.018 0.066 0.000 1.706 105 C CB 0.401 28.242 27.740 0.168 0.000 2.153 105 C HN -0.004 nan 8.230 nan 0.000 0.618 106 V N -0.463 119.445 119.914 -0.010 0.000 2.925 106 V HA 0.385 4.508 4.120 0.005 0.000 0.311 106 V C -0.727 175.359 176.094 -0.013 0.000 1.104 106 V CA -0.727 61.552 62.300 -0.035 0.000 0.954 106 V CB 1.662 33.423 31.823 -0.104 0.000 1.022 106 V HN 0.281 nan 8.190 nan 0.000 0.427 107 C N 6.207 125.513 119.300 0.010 0.000 2.365 107 C HA 0.663 5.126 4.460 0.005 0.000 0.351 107 C C 0.699 175.717 174.990 0.047 0.000 1.240 107 C CA -0.778 58.269 59.018 0.048 0.000 2.062 107 C CB 0.507 28.296 27.740 0.083 0.000 2.387 107 C HN 0.830 nan 8.230 nan 0.000 0.537 108 M N 4.599 124.216 119.600 0.029 0.000 1.783 108 M HA 0.234 4.717 4.480 0.005 0.000 0.186 108 M C 1.474 177.740 176.300 -0.057 0.000 1.303 108 M CA 0.855 56.107 55.300 -0.081 0.000 0.833 108 M CB -0.895 31.564 32.600 -0.236 0.000 1.174 108 M HN 0.916 nan 8.290 nan 0.000 0.378 109 H N -1.213 117.916 119.070 0.099 0.000 4.905 109 H HA -0.223 4.336 4.556 0.005 0.000 0.065 109 H C 1.653 176.998 175.328 0.028 0.000 0.584 109 H CA 2.459 58.544 56.048 0.060 0.000 0.984 109 H CB -1.689 28.100 29.762 0.046 0.000 0.446 109 H HN 0.873 nan 8.280 nan 0.000 0.786 110 C N 1.199 120.583 119.300 0.140 0.000 2.609 110 C HA 0.650 5.113 4.460 0.005 0.000 0.305 110 C C 1.571 176.571 174.990 0.017 0.000 1.319 110 C CA 1.218 60.261 59.018 0.041 0.000 1.793 110 C CB 0.025 27.786 27.740 0.034 0.000 2.260 110 C HN 1.423 nan 8.230 nan 0.000 0.535 111 G N 1.836 110.658 108.800 0.036 0.000 2.460 111 G HA2 -0.089 3.874 3.960 0.005 0.000 0.259 111 G HA3 -0.089 3.874 3.960 0.005 0.000 0.259 111 G C -0.610 174.277 174.900 -0.022 0.000 0.959 111 G CA 0.723 45.831 45.100 0.013 0.000 1.330 111 G HN 1.082 nan 8.290 nan 0.000 0.451 112 K N 0.916 121.299 120.400 -0.028 0.000 2.607 112 K HA 0.566 4.889 4.320 0.005 0.000 0.287 112 K C 0.746 177.329 176.600 -0.028 0.000 0.996 112 K CA -1.260 55.005 56.287 -0.038 0.000 0.876 112 K CB 1.171 33.656 32.500 -0.026 0.000 1.496 112 K HN 0.271 nan 8.250 nan 0.000 0.415 113 L N 2.097 123.304 121.223 -0.027 0.000 2.473 113 L HA -0.049 4.294 4.340 0.005 0.000 0.280 113 L C 0.781 177.651 176.870 -0.001 0.000 1.266 113 L CA 0.471 55.304 54.840 -0.011 0.000 0.824 113 L CB 0.100 42.156 42.059 -0.006 0.000 1.091 113 L HN 0.569 nan 8.230 nan 0.000 0.534 114 L N 2.172 123.396 121.223 0.001 0.000 3.069 114 L HA 0.377 4.720 4.340 0.005 0.000 0.271 114 L C -0.632 176.241 176.870 0.004 0.000 1.201 114 L CA 0.027 54.868 54.840 0.002 0.000 1.015 114 L CB 0.147 42.200 42.059 -0.011 0.000 1.371 114 L HN 0.372 nan 8.230 nan 0.000 0.574 115 L N 0.149 121.378 121.223 0.010 0.000 2.752 115 L HA 0.336 4.679 4.340 0.005 0.000 0.257 115 L C -1.176 175.701 176.870 0.010 0.000 0.968 115 L CA -0.356 54.493 54.840 0.015 0.000 0.953 115 L CB 2.118 44.178 42.059 0.002 0.000 1.286 115 L HN -0.038 nan 8.230 nan 0.000 0.443 116 D N 1.225 121.639 120.400 0.024 0.000 2.451 116 D HA 0.134 4.777 4.640 0.005 0.000 0.259 116 D C 0.830 177.069 176.300 -0.102 0.000 1.201 116 D CA -0.365 53.605 54.000 -0.050 0.000 1.028 116 D CB 1.321 42.080 40.800 -0.069 0.000 1.095 116 D HN 0.467 nan 8.370 nan 0.000 0.539 117 E N -0.324 119.746 120.200 -0.216 0.000 2.284 117 E HA -0.215 4.138 4.350 0.005 0.000 0.200 117 E C 1.651 178.173 176.600 -0.129 0.000 1.008 117 E CA 1.156 57.451 56.400 -0.176 0.000 0.829 117 E CB -0.153 29.420 29.700 -0.213 0.000 0.744 117 E HN 0.378 nan 8.360 nan 0.000 0.491 118 H N 0.217 119.285 119.070 -0.003 0.000 2.319 118 H HA -0.077 4.483 4.556 0.005 0.000 0.297 118 H C 1.042 176.367 175.328 -0.004 0.000 1.097 118 H CA 1.081 57.126 56.048 -0.004 0.000 1.285 118 H CB -0.475 29.283 29.762 -0.006 0.000 1.368 118 H HN 0.115 nan 8.280 nan 0.000 0.495 119 N N 1.601 120.366 118.700 0.108 0.000 2.442 119 N HA -0.074 4.669 4.740 0.005 0.000 0.265 119 N C 1.159 176.686 175.510 0.029 0.000 1.138 119 N CA 0.172 53.255 53.050 0.055 0.000 0.956 119 N CB 1.410 39.919 38.487 0.036 0.000 1.067 119 N HN 0.389 nan 8.380 nan 0.000 0.474 120 E N 3.982 124.197 120.200 0.025 0.000 2.051 120 E HA -0.151 4.202 4.350 0.005 0.000 0.192 120 E C 1.591 178.196 176.600 0.009 0.000 0.991 120 E CA 0.945 57.355 56.400 0.015 0.000 0.799 120 E CB 0.058 29.767 29.700 0.015 0.000 0.748 120 E HN 0.679 nan 8.360 nan 0.000 0.449 121 L N 0.244 121.471 121.223 0.006 0.000 2.189 121 L HA -0.234 4.109 4.340 0.005 0.000 0.214 121 L C 2.611 179.484 176.870 0.003 0.000 1.097 121 L CA 0.987 55.829 54.840 0.003 0.000 0.764 121 L CB -0.270 41.787 42.059 -0.003 0.000 0.900 121 L HN 0.381 nan 8.230 nan 0.000 0.436 122 M N -0.304 119.298 119.600 0.004 0.000 2.123 122 M HA -0.144 4.339 4.480 0.005 0.000 0.263 122 M C 2.246 178.549 176.300 0.005 0.000 1.069 122 M CA 1.653 56.955 55.300 0.004 0.000 1.133 122 M CB -0.248 32.353 32.600 0.002 0.000 1.356 122 M HN -0.022 nan 8.290 nan 0.000 0.415 123 R N -0.223 120.278 120.500 0.002 0.000 2.143 123 R HA -0.270 4.073 4.340 0.005 0.000 0.239 123 R C 2.234 178.539 176.300 0.008 0.000 1.126 123 R CA 2.512 58.612 56.100 0.001 0.000 0.927 123 R CB -1.027 29.274 30.300 0.001 0.000 0.860 123 R HN 0.579 nan 8.270 nan 0.000 0.433 124 Q N -0.323 119.483 119.800 0.010 0.000 2.173 124 Q HA -0.179 4.164 4.340 0.005 0.000 0.208 124 Q C 1.909 177.921 176.000 0.020 0.000 0.989 124 Q CA 1.656 57.467 55.803 0.014 0.000 0.872 124 Q CB -0.180 28.566 28.738 0.013 0.000 0.909 124 Q HN 0.444 nan 8.270 nan 0.000 0.420 125 A N -0.135 122.697 122.820 0.020 0.000 2.238 125 A HA 0.077 4.400 4.320 0.005 0.000 0.208 125 A C 1.485 179.090 177.584 0.036 0.000 1.177 125 A CA 0.345 52.400 52.037 0.029 0.000 0.804 125 A CB 0.056 19.072 19.000 0.026 0.000 0.823 125 A HN 0.257 nan 8.150 nan 0.000 0.482 126 L N -2.122 119.118 121.223 0.028 0.000 2.766 126 L HA 0.241 4.585 4.340 0.005 0.000 0.242 126 L C 2.200 179.088 176.870 0.029 0.000 1.136 126 L CA 0.622 55.481 54.840 0.031 0.000 0.933 126 L CB 0.302 42.371 42.059 0.018 0.000 1.241 126 L HN 0.347 nan 8.230 nan 0.000 0.522 127 A N 0.019 122.855 122.820 0.027 0.000 2.014 127 A HA 0.229 4.552 4.320 0.005 0.000 0.210 127 A C 1.140 178.743 177.584 0.032 0.000 1.188 127 A CA -0.111 51.941 52.037 0.025 0.000 0.731 127 A CB 0.000 19.013 19.000 0.021 0.000 0.858 127 A HN 0.192 nan 8.150 nan 0.000 0.464 128 I N 1.896 122.488 120.570 0.036 0.000 2.872 128 I HA -0.099 4.074 4.170 0.005 0.000 0.287 128 I C -0.163 175.981 176.117 0.046 0.000 1.197 128 I CA 0.626 61.950 61.300 0.041 0.000 1.390 128 I CB 0.281 38.308 38.000 0.045 0.000 1.400 128 I HN 0.218 nan 8.210 nan 0.000 0.544 129 K N 6.439 126.864 120.400 0.042 0.000 2.184 129 K HA 0.265 4.589 4.320 0.005 0.000 0.259 129 K C -0.761 175.866 176.600 0.045 0.000 1.119 129 K CA -0.193 56.120 56.287 0.043 0.000 0.991 129 K CB 0.350 32.872 32.500 0.036 0.000 1.522 129 K HN 0.439 nan 8.250 nan 0.000 0.405 130 D N 0.989 121.421 120.400 0.053 0.000 2.349 130 D HA -0.050 4.593 4.640 0.005 0.000 0.224 130 D C 0.923 177.260 176.300 0.062 0.000 1.323 130 D CA 0.054 54.085 54.000 0.051 0.000 0.917 130 D CB 0.891 41.721 40.800 0.050 0.000 1.524 130 D HN 0.376 nan 8.370 nan 0.000 0.505 131 S N 2.182 117.914 115.700 0.052 0.000 2.406 131 S HA -0.339 4.134 4.470 0.005 0.000 0.242 131 S C 1.670 176.316 174.600 0.076 0.000 1.079 131 S CA 1.139 59.369 58.200 0.050 0.000 1.133 131 S CB -0.157 63.037 63.200 -0.010 0.000 1.005 131 S HN 0.469 nan 8.310 nan 0.000 0.443 132 K N 1.171 121.601 120.400 0.050 0.000 2.211 132 K HA -0.030 4.293 4.320 0.005 0.000 0.204 132 K C 2.359 179.023 176.600 0.107 0.000 1.047 132 K CA 1.520 57.849 56.287 0.069 0.000 0.935 132 K CB -0.136 32.385 32.500 0.036 0.000 0.728 132 K HN 0.525 nan 8.250 nan 0.000 0.452 133 K N -0.092 120.363 120.400 0.092 0.000 2.168 133 K HA 0.052 4.376 4.320 0.005 0.000 0.201 133 K C 2.091 178.750 176.600 0.099 0.000 1.049 133 K CA 0.211 56.548 56.287 0.084 0.000 0.974 133 K CB 0.140 32.677 32.500 0.061 0.000 0.792 133 K HN 0.013 nan 8.250 nan 0.000 0.463 134 R N 0.691 121.261 120.500 0.117 0.000 2.113 134 R HA -0.154 4.189 4.340 0.005 0.000 0.231 134 R C 2.125 178.517 176.300 0.152 0.000 1.129 134 R CA 1.919 58.093 56.100 0.124 0.000 0.915 134 R CB -0.713 29.672 30.300 0.141 0.000 0.837 134 R HN 0.117 nan 8.270 nan 0.000 0.430 135 F N 1.276 121.268 119.950 0.070 0.000 2.411 135 F HA -0.198 4.333 4.527 0.005 0.000 0.299 135 F C 1.836 177.688 175.800 0.086 0.000 1.077 135 F CA 1.163 59.214 58.000 0.085 0.000 1.439 135 F CB -0.023 39.010 39.000 0.056 0.000 1.085 135 F HN 0.061 nan 8.300 nan 0.000 0.564 136 A N -1.082 121.735 122.820 -0.003 0.000 2.169 136 A HA 0.495 4.818 4.320 0.005 0.000 0.210 136 A C 2.048 179.650 177.584 0.029 0.000 1.168 136 A CA 0.679 52.685 52.037 -0.052 0.000 0.813 136 A CB -0.696 18.317 19.000 0.021 0.000 0.861 136 A HN 0.366 nan 8.150 nan 0.000 0.481 137 A N -0.105 122.735 122.820 0.035 0.000 1.963 137 A HA 0.283 4.606 4.320 0.005 0.000 0.207 137 A C 1.882 179.485 177.584 0.033 0.000 1.243 137 A CA 0.628 52.692 52.037 0.045 0.000 0.728 137 A CB -0.393 18.631 19.000 0.040 0.000 0.895 137 A HN 0.316 nan 8.150 nan 0.000 0.467 138 I N -1.661 118.925 120.570 0.027 0.000 2.091 138 I HA -0.331 3.842 4.170 0.005 0.000 0.239 138 I C 2.448 178.570 176.117 0.008 0.000 1.061 138 I CA 2.094 63.407 61.300 0.022 0.000 1.317 138 I CB -0.433 37.601 38.000 0.056 0.000 1.031 138 I HN 0.699 nan 8.210 nan 0.000 0.401 139 W N 1.938 123.068 121.300 -0.283 0.000 2.302 139 W HA -0.293 4.371 4.660 0.006 0.000 0.320 139 W C 2.676 179.089 176.519 -0.176 0.000 1.241 139 W CA 2.601 59.766 57.345 -0.300 0.000 1.264 139 W CB -0.725 28.424 29.460 -0.518 0.000 1.154 139 W HN 0.009 nan 8.180 nan 0.000 0.483 140 T N 1.290 115.864 114.554 0.034 0.000 2.849 140 T HA -0.216 4.137 4.350 0.005 0.000 0.270 140 T C 1.846 176.427 174.700 -0.198 0.000 1.066 140 T CA 1.628 63.644 62.100 -0.141 0.000 1.130 140 T CB -0.393 68.496 68.868 0.035 0.000 0.864 140 T HN 0.190 nan 8.240 nan 0.000 0.481 141 L N 0.617 121.762 121.223 -0.129 0.000 2.162 141 L HA 0.024 4.367 4.340 0.005 0.000 0.205 141 L C 2.209 178.996 176.870 -0.138 0.000 1.086 141 L CA 0.896 55.672 54.840 -0.108 0.000 0.778 141 L CB -0.217 41.809 42.059 -0.053 0.000 0.928 141 L HN 0.456 nan 8.230 nan 0.000 0.446 142 C N -2.542 116.658 119.300 -0.167 0.000 3.000 142 C HA 0.177 4.641 4.460 0.005 0.000 0.286 142 C C 2.122 176.968 174.990 -0.239 0.000 1.343 142 C CA -0.784 58.140 59.018 -0.157 0.000 1.742 142 C CB -1.149 26.538 27.740 -0.089 0.000 2.200 142 C HN 0.434 nan 8.230 nan 0.000 0.621 143 K N 1.368 121.519 120.400 -0.414 0.000 2.228 143 K HA -0.014 4.309 4.320 0.005 0.000 0.202 143 K C 1.498 177.900 176.600 -0.330 0.000 1.051 143 K CA 1.644 57.618 56.287 -0.522 0.000 0.960 143 K CB -0.530 31.353 32.500 -1.028 0.000 0.743 143 K HN 0.328 nan 8.250 nan 0.000 0.458 144 T N 1.274 115.667 114.554 -0.268 0.000 2.706 144 T HA -0.021 4.332 4.350 0.005 0.000 0.255 144 T C 0.302 174.925 174.700 -0.129 0.000 1.048 144 T CA 0.647 62.638 62.100 -0.181 0.000 1.153 144 T CB -0.037 68.742 68.868 -0.150 0.000 0.865 144 T HN 0.191 nan 8.240 nan 0.000 0.414 145 K N 1.784 122.118 120.400 -0.109 0.000 2.472 145 K HA 0.092 4.416 4.320 0.005 0.000 0.280 145 K C -0.149 176.410 176.600 -0.068 0.000 1.028 145 K CA 0.561 56.804 56.287 -0.073 0.000 1.045 145 K CB 0.195 32.661 32.500 -0.056 0.000 0.902 145 K HN 0.354 nan 8.250 nan 0.000 0.478 146 M N 2.973 122.544 119.600 -0.049 0.000 3.004 146 M HA 0.166 4.649 4.480 0.005 0.000 0.365 146 M C -1.136 175.164 176.300 -0.001 0.000 1.317 146 M CA -0.306 54.971 55.300 -0.038 0.000 0.821 146 M CB 0.935 33.501 32.600 -0.056 0.000 1.387 146 M HN 0.091 nan 8.290 nan 0.000 0.501 147 V N 0.206 120.123 119.914 0.006 0.000 2.559 147 V HA 0.089 4.212 4.120 0.005 0.000 0.289 147 V C -0.286 175.822 176.094 0.023 0.000 1.036 147 V CA -1.130 61.184 62.300 0.024 0.000 0.887 147 V CB 1.920 33.752 31.823 0.016 0.000 1.022 147 V HN 0.539 nan 8.190 nan 0.000 0.442 148 C N 5.961 125.285 119.300 0.041 0.000 3.260 148 C HA 0.118 4.581 4.460 0.005 0.000 0.459 148 C C 1.147 176.152 174.990 0.025 0.000 1.044 148 C CA -0.253 58.787 59.018 0.037 0.000 1.091 148 C CB -2.009 25.766 27.740 0.058 0.000 1.536 148 C HN 0.870 nan 8.230 nan 0.000 0.590 149 E N 2.407 122.616 120.200 0.015 0.000 2.760 149 E HA -0.088 4.265 4.350 0.005 0.000 0.268 149 E C 1.052 177.655 176.600 0.005 0.000 0.935 149 E CA 0.651 57.055 56.400 0.006 0.000 0.960 149 E CB 0.550 30.251 29.700 0.003 0.000 0.931 149 E HN 0.666 nan 8.360 nan 0.000 0.483 150 T N 1.529 116.080 114.554 -0.005 0.000 2.990 150 T HA 0.037 4.390 4.350 0.005 0.000 0.249 150 T C -0.389 174.295 174.700 -0.028 0.000 1.039 150 T CA 0.115 62.209 62.100 -0.011 0.000 1.036 150 T CB 0.419 69.281 68.868 -0.011 0.000 0.994 150 T HN 0.359 nan 8.240 nan 0.000 0.489 151 D N 1.089 121.468 120.400 -0.036 0.000 2.936 151 D HA 0.517 5.160 4.640 0.005 0.000 0.238 151 D C -1.134 175.127 176.300 -0.064 0.000 1.248 151 D CA -0.185 53.780 54.000 -0.058 0.000 0.903 151 D CB 2.868 43.640 40.800 -0.047 0.000 1.544 151 D HN -0.022 nan 8.370 nan 0.000 0.543 152 V N 1.851 121.702 119.914 -0.104 0.000 2.876 152 V HA 0.468 4.592 4.120 0.005 0.000 0.312 152 V C -2.377 173.654 176.094 -0.105 0.000 1.085 152 V CA -1.868 60.378 62.300 -0.090 0.000 0.945 152 V CB 2.504 34.281 31.823 -0.078 0.000 1.017 152 V HN 0.355 nan 8.190 nan 0.000 0.428 153 P HA 0.119 nan 4.420 nan 0.000 0.269 153 P C 0.336 177.610 177.300 -0.043 0.000 1.263 153 P CA 0.239 63.310 63.100 -0.048 0.000 0.813 153 P CB 0.610 32.295 31.700 -0.026 0.000 0.868 154 S N 3.371 119.037 115.700 -0.057 0.000 2.700 154 S HA -0.058 4.415 4.470 0.005 0.000 0.250 154 S C 1.086 175.694 174.600 0.013 0.000 1.355 154 S CA -0.188 57.998 58.200 -0.022 0.000 0.970 154 S CB -0.281 62.903 63.200 -0.026 0.000 0.975 154 S HN 0.461 nan 8.310 nan 0.000 0.563 155 E N 1.097 121.316 120.200 0.032 0.000 2.505 155 E HA 0.052 4.405 4.350 0.005 0.000 0.197 155 E C -0.078 176.531 176.600 0.014 0.000 1.111 155 E CA 0.342 56.758 56.400 0.027 0.000 0.887 155 E CB -0.253 29.467 29.700 0.034 0.000 0.913 155 E HN 0.457 nan 8.360 nan 0.000 0.517 156 D N 0.322 120.726 120.400 0.007 0.000 3.107 156 D HA 0.100 4.743 4.640 0.005 0.000 0.197 156 D C 0.056 176.355 176.300 -0.002 0.000 1.221 156 D CA -0.467 53.534 54.000 0.002 0.000 1.209 156 D CB -0.019 40.780 40.800 -0.000 0.000 1.096 156 D HN -0.133 nan 8.370 nan 0.000 0.456 157 D N 1.517 121.914 120.400 -0.005 0.000 2.345 157 D HA 0.113 4.756 4.640 0.005 0.000 0.247 157 D C -1.394 174.899 176.300 -0.010 0.000 1.108 157 D CA -1.027 52.969 54.000 -0.007 0.000 0.894 157 D CB 1.687 42.483 40.800 -0.007 0.000 1.203 157 D HN 0.054 nan 8.370 nan 0.000 0.430 158 P HA -0.033 nan 4.420 nan 0.000 0.241 158 P C 0.951 178.243 177.300 -0.014 0.000 1.191 158 P CA 0.499 63.592 63.100 -0.012 0.000 0.771 158 P CB 0.465 32.160 31.700 -0.009 0.000 0.929 159 T N -0.398 114.148 114.554 -0.012 0.000 2.770 159 T HA -0.052 4.302 4.350 0.005 0.000 0.258 159 T C 1.026 175.717 174.700 -0.016 0.000 1.039 159 T CA 0.862 62.955 62.100 -0.013 0.000 1.143 159 T CB -0.399 68.463 68.868 -0.010 0.000 0.866 159 T HN 0.287 nan 8.240 nan 0.000 0.428 160 Q N 1.216 121.005 119.800 -0.017 0.000 2.304 160 Q HA 0.444 4.787 4.340 0.005 0.000 0.260 160 Q C -0.983 174.998 176.000 -0.031 0.000 0.965 160 Q CA -0.013 55.776 55.803 -0.022 0.000 0.898 160 Q CB 0.767 29.493 28.738 -0.020 0.000 1.196 160 Q HN 0.411 nan 8.270 nan 0.000 0.402 161 L N 2.893 124.094 121.223 -0.036 0.000 2.313 161 L HA 0.488 4.832 4.340 0.005 0.000 0.283 161 L C -0.437 176.396 176.870 -0.063 0.000 1.013 161 L CA -0.950 53.861 54.840 -0.049 0.000 0.816 161 L CB 1.390 43.425 42.059 -0.041 0.000 1.236 161 L HN 0.327 nan 8.230 nan 0.000 0.419 162 V N 1.386 121.241 119.914 -0.097 0.000 2.716 162 V HA 0.482 4.605 4.120 0.005 0.000 0.304 162 V C 0.396 176.410 176.094 -0.134 0.000 1.053 162 V CA -0.525 61.703 62.300 -0.120 0.000 0.984 162 V CB 1.829 33.547 31.823 -0.176 0.000 1.021 162 V HN 0.917 nan 8.190 nan 0.000 0.467 163 S N 3.901 119.541 115.700 -0.099 0.000 2.638 163 S HA 0.874 5.347 4.470 0.005 0.000 0.298 163 S C -0.260 174.306 174.600 -0.058 0.000 1.111 163 S CA -0.810 57.346 58.200 -0.073 0.000 1.027 163 S CB 2.435 65.611 63.200 -0.041 0.000 1.064 163 S HN 0.940 nan 8.310 nan 0.000 0.525 164 R N 0.752 121.238 120.500 -0.024 0.000 2.936 164 R HA 0.633 4.976 4.340 0.005 0.000 0.095 164 R C 0.514 176.824 176.300 0.016 0.000 0.565 164 R CA -0.617 55.499 56.100 0.026 0.000 0.363 164 R CB -0.381 29.966 30.300 0.078 0.000 0.398 164 R HN 0.737 nan 8.270 nan 0.000 0.321 165 G N -0.234 108.580 108.800 0.023 0.000 2.569 165 G HA2 0.462 4.425 3.960 0.005 0.000 0.249 165 G HA3 0.462 4.425 3.960 0.005 0.000 0.249 165 G C -0.432 174.471 174.900 0.004 0.000 1.216 165 G CA -0.078 45.028 45.100 0.009 0.000 0.845 165 G HN 0.624 nan 8.290 nan 0.000 0.568 166 G N -1.968 106.831 108.800 -0.001 0.000 2.481 166 G HA2 0.642 4.606 3.960 0.005 0.000 0.315 166 G HA3 0.642 4.606 3.960 0.005 0.000 0.315 166 G C -0.271 174.629 174.900 0.001 0.000 1.231 166 G CA 0.010 45.108 45.100 -0.003 0.000 0.968 166 G HN 2.106 nan 8.290 nan 0.000 0.482 167 C N -0.104 119.196 119.300 -0.000 0.000 3.315 167 C HA 0.106 4.569 4.460 0.005 0.000 0.367 167 C C 1.107 176.106 174.990 0.015 0.000 0.907 167 C CA -0.801 58.215 59.018 -0.003 0.000 3.899 167 C CB -1.228 26.518 27.740 0.010 0.000 1.160 167 C HN 1.734 nan 8.230 nan 0.000 0.600 168 G N 1.905 110.707 108.800 0.005 0.000 2.708 168 G HA2 0.028 3.991 3.960 0.005 0.000 0.210 168 G HA3 0.028 3.991 3.960 0.005 0.000 0.210 168 G C 0.554 175.477 174.900 0.040 0.000 1.141 168 G CA 0.289 45.401 45.100 0.020 0.000 0.788 168 G HN 0.968 nan 8.290 nan 0.000 0.531 169 N N 2.286 121.002 118.700 0.027 0.000 2.202 169 N HA -0.071 4.672 4.740 0.005 0.000 0.283 169 N C 0.526 176.138 175.510 0.170 0.000 1.391 169 N CA 0.794 53.875 53.050 0.052 0.000 0.910 169 N CB 0.162 38.628 38.487 -0.034 0.000 1.267 169 N HN 0.080 nan 8.380 nan 0.000 0.493 170 T N 2.731 117.387 114.554 0.169 0.000 2.897 170 T HA -0.125 4.229 4.350 0.005 0.000 0.304 170 T C 0.770 175.642 174.700 0.287 0.000 1.051 170 T CA 0.362 62.584 62.100 0.204 0.000 1.132 170 T CB 0.469 69.468 68.868 0.217 0.000 1.066 170 T HN 0.326 nan 8.240 nan 0.000 0.518 171 Q N 3.754 123.635 119.800 0.136 0.000 2.278 171 Q HA 0.288 4.631 4.340 0.005 0.000 0.257 171 Q C -2.179 173.722 176.000 -0.165 0.000 0.928 171 Q CA -1.953 53.875 55.803 0.041 0.000 0.932 171 Q CB 1.191 29.930 28.738 0.001 0.000 1.221 171 Q HN 0.439 nan 8.270 nan 0.000 0.434 172 P HA 0.072 nan 4.420 nan 0.000 0.286 172 P C -0.547 176.481 177.300 -0.454 0.000 1.269 172 P CA -0.278 62.325 63.100 -0.828 0.000 0.787 172 P CB 1.133 31.623 31.700 -2.018 0.000 0.920 173 T N 3.886 118.252 114.554 -0.314 0.000 2.856 173 T HA 0.318 4.671 4.350 0.005 0.000 0.306 173 T C 0.682 175.265 174.700 -0.195 0.000 1.062 173 T CA 0.276 62.258 62.100 -0.196 0.000 1.083 173 T CB 0.069 68.854 68.868 -0.137 0.000 0.984 173 T HN 0.284 nan 8.240 nan 0.000 0.542 174 I N 1.288 121.794 120.570 -0.107 0.000 2.769 174 I HA 0.584 4.757 4.170 0.005 0.000 0.298 174 I C -0.102 176.010 176.117 -0.007 0.000 1.128 174 I CA -1.232 60.029 61.300 -0.064 0.000 1.031 174 I CB 2.283 40.268 38.000 -0.025 0.000 1.235 174 I HN 0.633 nan 8.210 nan 0.000 0.423 175 R N 2.703 123.207 120.500 0.007 0.000 2.867 175 R HA 0.630 4.973 4.340 0.005 0.000 0.268 175 R C -1.269 175.059 176.300 0.048 0.000 1.014 175 R CA -1.153 54.965 56.100 0.029 0.000 0.946 175 R CB 2.182 32.493 30.300 0.019 0.000 1.208 175 R HN 0.461 nan 8.270 nan 0.000 0.477 176 K N 1.415 121.847 120.400 0.053 0.000 2.293 176 K HA 0.133 4.456 4.320 0.005 0.000 0.267 176 K C -1.318 175.319 176.600 0.062 0.000 1.010 176 K CA -0.484 55.840 56.287 0.063 0.000 0.875 176 K CB 1.212 33.746 32.500 0.056 0.000 1.106 176 K HN 0.660 nan 8.250 nan 0.000 0.450 177 D N 4.026 124.470 120.400 0.073 0.000 2.453 177 D HA 0.272 4.915 4.640 0.005 0.000 0.238 177 D C 0.601 176.950 176.300 0.082 0.000 1.088 177 D CA 0.595 54.636 54.000 0.067 0.000 0.854 177 D CB 1.245 42.081 40.800 0.059 0.000 1.076 177 D HN 0.894 nan 8.370 nan 0.000 0.533 178 G N 3.703 112.551 108.800 0.079 0.000 2.622 178 G HA2 -0.297 3.666 3.960 0.005 0.000 0.307 178 G HA3 -0.297 3.666 3.960 0.005 0.000 0.307 178 G C 0.664 175.636 174.900 0.119 0.000 1.226 178 G CA 0.483 45.640 45.100 0.095 0.000 0.997 178 G HN 0.571 nan 8.290 nan 0.000 0.551 179 L N 0.917 122.227 121.223 0.146 0.000 2.848 179 L HA 0.395 4.739 4.340 0.005 0.000 0.240 179 L C 0.707 177.737 176.870 0.266 0.000 1.232 179 L CA 0.107 55.068 54.840 0.201 0.000 1.031 179 L CB -0.200 41.972 42.059 0.188 0.000 1.338 179 L HN 0.258 nan 8.230 nan 0.000 0.509 180 K N 0.935 121.466 120.400 0.219 0.000 2.443 180 K HA 0.658 4.981 4.320 0.005 0.000 0.251 180 K C -1.107 175.632 176.600 0.231 0.000 0.972 180 K CA -0.807 55.621 56.287 0.234 0.000 0.833 180 K CB 3.164 35.733 32.500 0.115 0.000 1.317 180 K HN -0.036 nan 8.250 nan 0.000 0.441 181 L N 2.068 123.451 121.223 0.266 0.000 2.296 181 L HA 0.541 4.884 4.340 0.005 0.000 0.286 181 L C -0.738 176.212 176.870 0.134 0.000 1.023 181 L CA -1.038 53.917 54.840 0.192 0.000 0.812 181 L CB 1.641 43.838 42.059 0.231 0.000 1.223 181 L HN 0.243 nan 8.230 nan 0.000 0.421 182 V N 1.728 121.693 119.914 0.085 0.000 2.823 182 V HA 0.894 5.018 4.120 0.005 0.000 0.312 182 V C 0.096 176.185 176.094 -0.008 0.000 1.072 182 V CA -0.447 61.890 62.300 0.061 0.000 0.937 182 V CB 2.198 34.059 31.823 0.063 0.000 1.013 182 V HN 0.872 nan 8.190 nan 0.000 0.430 183 G N 1.366 110.124 108.800 -0.070 0.000 2.696 183 G HA2 0.643 4.606 3.960 0.005 0.000 0.295 183 G HA3 0.643 4.606 3.960 0.005 0.000 0.295 183 G C -0.908 173.818 174.900 -0.290 0.000 1.398 183 G CA -0.241 44.713 45.100 -0.244 0.000 0.920 183 G HN 0.910 nan 8.290 nan 0.000 0.492 184 S N 0.202 115.748 115.700 -0.255 0.000 2.525 184 S HA 0.703 5.177 4.470 0.005 0.000 0.290 184 S C -0.870 173.636 174.600 -0.157 0.000 1.152 184 S CA -0.770 57.386 58.200 -0.073 0.000 1.072 184 S CB 1.459 64.656 63.200 -0.004 0.000 1.027 184 S HN 0.546 nan 8.310 nan 0.000 0.500 185 W N 2.134 123.449 121.300 0.025 0.000 2.417 185 W HA 0.364 5.027 4.660 0.005 0.000 0.315 185 W C -0.210 176.319 176.519 0.017 0.000 1.045 185 W CA -0.852 56.509 57.345 0.026 0.000 1.221 185 W CB 1.738 31.219 29.460 0.035 0.000 1.309 185 W HN 0.597 nan 8.180 nan 0.000 0.453 186 K N 3.378 123.885 120.400 0.179 0.000 2.297 186 K HA 0.222 4.545 4.320 0.005 0.000 0.286 186 K C -0.052 176.614 176.600 0.110 0.000 1.053 186 K CA -0.106 56.248 56.287 0.111 0.000 0.940 186 K CB 1.172 33.706 32.500 0.057 0.000 1.019 186 K HN 0.205 nan 8.250 nan 0.000 0.475 187 K N 2.681 123.132 120.400 0.084 0.000 2.339 187 K HA 0.162 4.485 4.320 0.005 0.000 0.264 187 K C -0.768 175.855 176.600 0.039 0.000 0.986 187 K CA -0.663 55.661 56.287 0.060 0.000 0.866 187 K CB 1.241 33.772 32.500 0.051 0.000 1.103 187 K HN 0.495 nan 8.250 nan 0.000 0.441 188 D N 2.065 122.484 120.400 0.031 0.000 2.332 188 D HA 0.450 5.093 4.640 0.005 0.000 0.252 188 D C -0.398 175.911 176.300 0.014 0.000 1.050 188 D CA -0.191 53.821 54.000 0.021 0.000 0.970 188 D CB 1.239 42.050 40.800 0.018 0.000 1.141 188 D HN 0.428 nan 8.370 nan 0.000 0.485 196 E N 0.266 120.484 120.200 0.029 0.000 7.835 196 E HA -0.107 4.246 4.350 0.005 0.000 0.463 196 E C -2.698 173.931 176.600 0.049 0.000 0.612 196 E CA -0.598 55.822 56.400 0.033 0.000 1.100 196 E CB -0.053 29.664 29.700 0.028 0.000 0.976 196 E HN 0.180 nan 8.360 nan 0.000 0.262 197 P HA 0.122 nan 4.420 nan 0.000 0.282 197 P C -0.780 176.583 177.300 0.106 0.000 1.286 197 P CA 0.197 63.347 63.100 0.084 0.000 0.777 197 P CB 0.448 32.189 31.700 0.069 0.000 1.184 198 E N 0.029 120.329 120.200 0.167 0.000 2.768 198 E HA 0.271 4.624 4.350 0.005 0.000 0.290 198 E C -0.937 175.830 176.600 0.278 0.000 1.100 198 E CA -0.296 56.217 56.400 0.188 0.000 0.768 198 E CB 0.429 30.245 29.700 0.195 0.000 1.501 198 E HN 0.342 nan 8.360 nan 0.000 0.384 199 L N 4.041 125.373 121.223 0.181 0.000 2.278 199 L HA 0.479 4.822 4.340 0.005 0.000 0.287 199 L C 0.266 177.245 176.870 0.182 0.000 1.072 199 L CA -0.202 54.748 54.840 0.184 0.000 0.819 199 L CB 0.289 42.410 42.059 0.103 0.000 1.176 199 L HN 0.320 nan 8.230 nan 0.000 0.435 200 R N 2.150 122.816 120.500 0.277 0.000 2.698 200 R HA 0.648 4.991 4.340 0.005 0.000 0.275 200 R C -1.591 174.835 176.300 0.210 0.000 1.001 200 R CA -0.857 55.367 56.100 0.206 0.000 0.896 200 R CB 1.624 32.023 30.300 0.166 0.000 1.218 200 R HN 0.200 nan 8.270 nan 0.000 0.462 201 V N 4.056 124.041 119.914 0.118 0.000 2.508 201 V HA 0.149 4.272 4.120 0.005 0.000 0.281 201 V C 0.462 176.630 176.094 0.124 0.000 1.041 201 V CA -0.399 61.961 62.300 0.100 0.000 1.016 201 V CB 0.882 32.731 31.823 0.044 0.000 0.984 201 V HN 0.594 nan 8.190 nan 0.000 0.478 202 L N 5.726 127.037 121.223 0.147 0.000 2.363 202 L HA 0.198 4.541 4.340 0.005 0.000 0.286 202 L C 0.953 177.882 176.870 0.099 0.000 1.106 202 L CA 0.017 54.954 54.840 0.161 0.000 0.859 202 L CB 0.592 42.768 42.059 0.195 0.000 1.223 202 L HN 0.883 nan 8.230 nan 0.000 0.446 203 S N 0.883 116.620 115.700 0.063 0.000 2.549 203 S HA 0.025 4.498 4.470 0.005 0.000 0.286 203 S C 1.269 175.856 174.600 -0.022 0.000 1.314 203 S CA -0.490 57.712 58.200 0.003 0.000 1.062 203 S CB 1.182 64.389 63.200 0.012 0.000 0.865 203 S HN 0.628 nan 8.310 nan 0.000 0.498 204 T N 3.242 117.715 114.554 -0.136 0.000 2.635 204 T HA -0.196 4.157 4.350 0.005 0.000 0.267 204 T C 1.570 176.236 174.700 -0.057 0.000 1.040 204 T CA 2.142 64.129 62.100 -0.187 0.000 1.156 204 T CB -0.743 67.929 68.868 -0.327 0.000 0.863 204 T HN 0.863 nan 8.240 nan 0.000 0.430 205 E N 0.732 120.905 120.200 -0.044 0.000 2.164 205 E HA -0.272 4.081 4.350 0.005 0.000 0.206 205 E C 2.229 178.841 176.600 0.021 0.000 1.032 205 E CA 1.581 57.976 56.400 -0.008 0.000 0.832 205 E CB -0.178 29.522 29.700 0.000 0.000 0.742 205 E HN 0.616 nan 8.360 nan 0.000 0.460 206 E N 0.203 120.425 120.200 0.037 0.000 2.028 206 E HA -0.167 4.186 4.350 0.005 0.000 0.190 206 E C 2.133 178.797 176.600 0.107 0.000 0.984 206 E CA 0.655 57.097 56.400 0.070 0.000 0.800 206 E CB 0.128 29.876 29.700 0.080 0.000 0.758 206 E HN 0.117 nan 8.360 nan 0.000 0.448 207 I N 1.719 122.360 120.570 0.120 0.000 2.069 207 I HA -0.328 3.845 4.170 0.005 0.000 0.237 207 I C 2.723 178.909 176.117 0.116 0.000 1.053 207 I CA 1.191 62.595 61.300 0.173 0.000 1.311 207 I CB -1.321 36.764 38.000 0.143 0.000 1.030 207 I HN 0.361 nan 8.210 nan 0.000 0.398 208 L N 0.754 121.964 121.223 -0.023 0.000 2.011 208 L HA -0.368 3.975 4.340 0.005 0.000 0.225 208 L C 2.610 179.521 176.870 0.068 0.000 1.084 208 L CA 2.149 56.959 54.840 -0.050 0.000 0.791 208 L CB -0.505 41.540 42.059 -0.024 0.000 0.898 208 L HN 0.427 nan 8.230 nan 0.000 0.440 209 N N 0.400 119.140 118.700 0.067 0.000 2.007 209 N HA -0.252 4.491 4.740 0.005 0.000 0.197 209 N C 1.856 177.435 175.510 0.115 0.000 1.050 209 N CA 2.395 55.470 53.050 0.041 0.000 0.856 209 N CB -0.339 38.180 38.487 0.053 0.000 1.050 209 N HN 0.424 nan 8.380 nan 0.000 0.423 210 I N 0.311 121.010 120.570 0.216 0.000 2.290 210 I HA -0.309 3.864 4.170 0.005 0.000 0.253 210 I C 1.861 178.111 176.117 0.222 0.000 1.112 210 I CA 1.167 62.605 61.300 0.230 0.000 1.377 210 I CB -0.405 37.733 38.000 0.229 0.000 1.060 210 I HN 0.067 nan 8.210 nan 0.000 0.428 211 F N 1.002 120.963 119.950 0.019 0.000 2.128 211 F HA -0.100 4.430 4.527 0.005 0.000 0.295 211 F C 2.481 178.279 175.800 -0.003 0.000 1.100 211 F CA 1.170 59.172 58.000 0.003 0.000 1.260 211 F CB -0.777 38.207 39.000 -0.027 0.000 1.009 211 F HN -0.146 nan 8.300 nan 0.000 0.476 212 K N -0.628 119.848 120.400 0.128 0.000 2.127 212 K HA -0.225 4.098 4.320 0.005 0.000 0.208 212 K C 1.727 178.296 176.600 -0.052 0.000 1.047 212 K CA 1.643 57.910 56.287 -0.033 0.000 0.927 212 K CB -0.356 32.033 32.500 -0.184 0.000 0.716 212 K HN 0.317 nan 8.250 nan 0.000 0.450 213 H N -0.045 119.048 119.070 0.039 0.000 2.551 213 H HA 0.127 4.686 4.556 0.005 0.000 0.266 213 H C 0.557 175.835 175.328 -0.082 0.000 0.977 213 H CA 0.226 56.263 56.048 -0.019 0.000 1.163 213 H CB -0.165 29.596 29.762 -0.002 0.000 1.381 213 H HN 0.109 nan 8.280 nan 0.000 0.581 214 I N 1.725 122.303 120.570 0.013 0.000 2.710 214 I HA -0.114 4.059 4.170 0.005 0.000 0.286 214 I C 1.215 177.127 176.117 -0.342 0.000 1.181 214 I CA 0.107 61.335 61.300 -0.119 0.000 1.430 214 I CB 0.533 38.475 38.000 -0.097 0.000 1.367 214 I HN 0.107 nan 8.210 nan 0.000 0.577 215 S N 4.809 120.316 115.700 -0.322 0.000 2.569 215 S HA 0.055 4.528 4.470 0.005 0.000 0.274 215 S C 1.179 175.348 174.600 -0.718 0.000 1.353 215 S CA -0.729 57.233 58.200 -0.397 0.000 1.023 215 S CB 1.174 64.240 63.200 -0.223 0.000 0.876 215 S HN 0.382 nan 8.310 nan 0.000 0.540 216 V N 3.756 123.333 119.914 -0.562 0.000 2.295 216 V HA -0.107 4.017 4.120 0.005 0.000 0.246 216 V C 2.458 178.395 176.094 -0.261 0.000 1.049 216 V CA 1.952 63.941 62.300 -0.519 0.000 1.024 216 V CB -0.813 30.870 31.823 -0.234 0.000 0.648 216 V HN 0.870 nan 8.190 nan 0.000 0.447 217 K N -0.426 119.875 120.400 -0.165 0.000 2.418 217 K HA -0.055 4.268 4.320 0.005 0.000 0.195 217 K C 1.558 178.133 176.600 -0.043 0.000 1.035 217 K CA 0.635 56.885 56.287 -0.063 0.000 1.003 217 K CB -0.066 32.403 32.500 -0.051 0.000 0.793 217 K HN 0.453 nan 8.250 nan 0.000 0.494 218 D N 0.555 120.886 120.400 -0.114 0.000 2.162 218 D HA -0.031 4.612 4.640 0.005 0.000 0.205 218 D C 1.601 177.936 176.300 0.058 0.000 0.964 218 D CA 0.714 54.679 54.000 -0.058 0.000 0.847 218 D CB -0.094 40.631 40.800 -0.125 0.000 0.988 218 D HN 0.076 nan 8.370 nan 0.000 0.480 219 F N 1.445 121.346 119.950 -0.082 0.000 2.007 219 F HA -0.315 4.215 4.527 0.005 0.000 0.298 219 F C 2.705 178.531 175.800 0.043 0.000 1.197 219 F CA 1.216 59.154 58.000 -0.102 0.000 1.195 219 F CB -0.812 38.152 39.000 -0.060 0.000 0.951 219 F HN -0.058 nan 8.300 nan 0.000 0.512 220 T N 0.404 115.166 114.554 0.346 0.000 2.602 220 T HA -0.345 4.008 4.350 0.005 0.000 0.264 220 T C 1.946 176.755 174.700 0.182 0.000 1.085 220 T CA 2.515 64.750 62.100 0.225 0.000 1.164 220 T CB -0.928 68.030 68.868 0.151 0.000 0.860 220 T HN 0.452 nan 8.240 nan 0.000 0.442 221 S N 1.513 117.295 115.700 0.137 0.000 2.389 221 S HA -0.123 4.350 4.470 0.005 0.000 0.231 221 S C 0.954 175.663 174.600 0.182 0.000 1.052 221 S CA 0.921 59.194 58.200 0.121 0.000 1.053 221 S CB -0.872 62.376 63.200 0.080 0.000 0.886 221 S HN 0.455 nan 8.310 nan 0.000 0.456 222 L N 1.725 123.091 121.223 0.238 0.000 2.350 222 L HA 0.465 4.808 4.340 0.005 0.000 0.275 222 L C 1.182 178.274 176.870 0.370 0.000 1.099 222 L CA -0.465 54.594 54.840 0.366 0.000 0.808 222 L CB 0.454 42.733 42.059 0.368 0.000 1.149 222 L HN 0.322 nan 8.230 nan 0.000 0.442 223 G N 2.804 111.760 108.800 0.260 0.000 2.529 223 G HA2 0.039 4.002 3.960 0.005 0.000 0.285 223 G HA3 0.039 4.002 3.960 0.005 0.000 0.285 223 G C -0.453 174.335 174.900 -0.186 0.000 0.632 223 G CA 0.297 45.403 45.100 0.010 0.000 2.116 223 G HN 0.263 nan 8.290 nan 0.000 0.538 224 F N -0.659 119.257 119.950 -0.057 0.000 2.849 224 F HA 0.579 5.109 4.527 0.005 0.000 0.341 224 F C 0.020 175.810 175.800 -0.017 0.000 1.185 224 F CA -1.493 56.461 58.000 -0.076 0.000 1.007 224 F CB 2.111 41.024 39.000 -0.144 0.000 1.454 224 F HN 0.181 nan 8.300 nan 0.000 0.518 225 N N -0.023 118.796 118.700 0.198 0.000 2.572 225 N HA 0.121 4.864 4.740 0.005 0.000 0.287 225 N C 0.073 175.649 175.510 0.110 0.000 1.136 225 N CA -0.164 52.956 53.050 0.116 0.000 0.900 225 N CB 1.199 39.728 38.487 0.070 0.000 1.484 225 N HN 0.665 nan 8.380 nan 0.000 0.526 226 E N 1.894 122.177 120.200 0.138 0.000 2.253 226 E HA -0.222 4.131 4.350 0.005 0.000 0.202 226 E C 0.418 177.104 176.600 0.143 0.000 1.014 226 E CA 1.771 58.283 56.400 0.188 0.000 0.823 226 E CB 0.270 30.076 29.700 0.175 0.000 0.736 226 E HN 0.512 nan 8.360 nan 0.000 0.478 227 V N -1.195 118.723 119.914 0.008 0.000 3.048 227 V HA 0.011 4.134 4.120 0.005 0.000 0.241 227 V C 1.632 177.836 176.094 0.184 0.000 1.129 227 V CA 0.777 63.056 62.300 -0.036 0.000 1.128 227 V CB -0.249 31.277 31.823 -0.494 0.000 0.849 227 V HN 0.233 nan 8.190 nan 0.000 0.475 228 F N 0.997 121.044 119.950 0.161 0.000 2.678 228 F HA 0.242 4.773 4.527 0.006 0.000 0.291 228 F C 0.957 176.815 175.800 0.097 0.000 1.123 228 F CA 0.437 58.465 58.000 0.046 0.000 1.395 228 F CB 0.643 39.642 39.000 -0.001 0.000 1.121 228 F HN 0.262 nan 8.300 nan 0.000 0.592 229 S N 0.482 116.468 115.700 0.477 0.000 2.397 229 S HA 0.371 4.844 4.470 0.005 0.000 0.190 229 S C -0.827 174.072 174.600 0.499 0.000 1.100 229 S CA -0.853 57.655 58.200 0.513 0.000 1.150 229 S CB 0.424 63.741 63.200 0.196 0.000 1.302 229 S HN 0.087 nan 8.310 nan 0.000 0.417 230 R N 2.563 123.301 120.500 0.396 0.000 2.265 230 R HA 0.322 4.665 4.340 0.005 0.000 0.314 230 R C -1.926 174.167 176.300 -0.346 0.000 1.053 230 R CA -2.108 53.590 56.100 -0.670 0.000 0.931 230 R CB 0.520 29.926 30.300 -1.490 0.000 1.024 230 R HN 0.301 nan 8.270 nan 0.000 0.457 231 P HA -0.312 nan 4.420 nan 0.000 0.218 231 P C 0.816 178.137 177.300 0.035 0.000 1.154 231 P CA 1.532 64.448 63.100 -0.307 0.000 0.872 231 P CB 0.069 31.345 31.700 -0.706 0.000 0.790 232 E N -1.720 118.420 120.200 -0.100 0.000 2.393 232 E HA -0.219 4.134 4.350 0.005 0.000 0.201 232 E C 1.075 177.636 176.600 -0.065 0.000 1.025 232 E CA 0.899 57.243 56.400 -0.094 0.000 0.856 232 E CB -0.903 28.671 29.700 -0.210 0.000 0.771 232 E HN 0.369 nan 8.360 nan 0.000 0.526 233 W N 0.242 121.573 121.300 0.051 0.000 3.197 233 W HA 0.297 4.961 4.660 0.006 0.000 0.274 233 W C 1.642 178.237 176.519 0.127 0.000 1.297 233 W CA -0.132 57.262 57.345 0.082 0.000 1.662 233 W CB -0.158 29.358 29.460 0.093 0.000 1.106 233 W HN 0.142 nan 8.180 nan 0.000 0.663 234 M N -0.202 119.604 119.600 0.343 0.000 2.557 234 M HA -0.009 4.475 4.480 0.005 0.000 0.259 234 M C 0.374 176.866 176.300 0.319 0.000 1.086 234 M CA 1.194 56.754 55.300 0.433 0.000 1.096 234 M CB -0.119 32.646 32.600 0.274 0.000 1.424 234 M HN -0.327 nan 8.290 nan 0.000 0.488 235 I N 1.454 122.144 120.570 0.200 0.000 2.339 235 I HA 0.223 4.396 4.170 0.005 0.000 0.290 235 I C -0.463 175.750 176.117 0.159 0.000 0.994 235 I CA -0.619 60.789 61.300 0.181 0.000 1.191 235 I CB 1.396 39.446 38.000 0.082 0.000 1.343 235 I HN 0.027 nan 8.210 nan 0.000 0.458 236 L N 6.616 127.921 121.223 0.138 0.000 2.315 236 L HA 0.275 4.618 4.340 0.005 0.000 0.283 236 L C 0.748 177.667 176.870 0.082 0.000 1.089 236 L CA -0.033 54.867 54.840 0.100 0.000 0.833 236 L CB 0.437 42.543 42.059 0.079 0.000 1.170 236 L HN 0.680 nan 8.230 nan 0.000 0.442 237 T N 0.315 114.925 114.554 0.093 0.000 3.056 237 T HA 0.028 4.381 4.350 0.005 0.000 0.241 237 T C 0.323 175.062 174.700 0.065 0.000 1.006 237 T CA 0.187 62.332 62.100 0.076 0.000 1.115 237 T CB 0.361 69.287 68.868 0.096 0.000 0.939 237 T HN 0.611 nan 8.240 nan 0.000 0.462 238 C N 2.540 121.886 119.300 0.076 0.000 2.379 238 C HA 0.791 5.254 4.460 0.005 0.000 0.323 238 C C -1.004 174.012 174.990 0.044 0.000 1.262 238 C CA -1.175 57.884 59.018 0.067 0.000 1.581 238 C CB -0.196 27.604 27.740 0.100 0.000 2.221 238 C HN 0.404 nan 8.230 nan 0.000 0.497 239 L N 9.328 130.570 121.223 0.031 0.000 2.280 239 L HA 0.564 4.907 4.340 0.005 0.000 0.287 239 L C -1.951 174.952 176.870 0.054 0.000 1.023 239 L CA -1.939 52.922 54.840 0.034 0.000 0.819 239 L CB 1.423 43.486 42.059 0.008 0.000 1.212 239 L HN 0.542 nan 8.230 nan 0.000 0.420 240 P HA 0.018 nan 4.420 nan 0.000 0.268 240 P C -0.866 176.548 177.300 0.191 0.000 1.205 240 P CA -0.036 63.147 63.100 0.138 0.000 0.771 240 P CB 1.042 32.798 31.700 0.094 0.000 0.858 241 V N 5.662 125.664 119.914 0.146 0.000 2.257 241 V HA 0.196 4.319 4.120 0.005 0.000 0.269 241 V C -1.791 174.143 176.094 -0.267 0.000 1.040 241 V CA -2.024 60.270 62.300 -0.010 0.000 0.813 241 V CB 0.852 32.667 31.823 -0.014 0.000 1.065 241 V HN 0.568 nan 8.190 nan 0.000 0.457 242 P HA 0.085 nan 4.420 nan 0.000 0.263 242 P C -2.567 174.475 177.300 -0.429 0.000 1.175 242 P CA -0.679 61.988 63.100 -0.722 0.000 0.761 242 P CB 0.205 31.716 31.700 -0.316 0.000 0.794 243 P HA 0.131 nan 4.420 nan 0.000 0.278 243 P C -1.744 175.462 177.300 -0.157 0.000 1.238 243 P CA -1.735 61.223 63.100 -0.236 0.000 0.794 243 P CB -0.105 31.467 31.700 -0.213 0.000 0.955 244 P HA -0.234 nan 4.420 nan 0.000 0.216 244 P C -1.185 176.068 177.300 -0.079 0.000 1.062 244 P CA 2.901 65.955 63.100 -0.078 0.000 0.995 244 P CB -2.515 29.152 31.700 -0.056 0.000 0.762 245 P HA -0.135 nan 4.420 nan 0.000 0.220 245 P C 1.646 178.909 177.300 -0.061 0.000 1.144 245 P CA 1.207 64.270 63.100 -0.061 0.000 0.808 245 P CB -0.455 31.211 31.700 -0.057 0.000 0.763 246 V N -0.637 119.229 119.914 -0.080 0.000 2.599 246 V HA -0.058 4.065 4.120 0.005 0.000 0.245 246 V C 1.509 177.565 176.094 -0.063 0.000 1.046 246 V CA 1.336 63.594 62.300 -0.069 0.000 1.065 246 V CB -0.688 31.078 31.823 -0.095 0.000 0.703 246 V HN 0.213 nan 8.190 nan 0.000 0.464 247 R N 1.301 121.757 120.500 -0.073 0.000 2.835 247 R HA 0.345 4.688 4.340 0.005 0.000 0.290 247 R C -2.926 173.325 176.300 -0.082 0.000 1.410 247 R CA -1.449 54.607 56.100 -0.073 0.000 1.590 247 R CB 0.108 30.371 30.300 -0.063 0.000 1.288 247 R HN 0.261 nan 8.270 nan 0.000 0.637 248 P HA -0.039 nan 4.420 nan 0.000 0.271 248 P C 0.037 177.280 177.300 -0.095 0.000 1.233 248 P CA 0.146 63.200 63.100 -0.077 0.000 0.789 248 P CB 1.268 32.930 31.700 -0.064 0.000 0.951 249 S N 0.903 116.542 115.700 -0.101 0.000 2.414 249 S HA 0.624 5.097 4.470 0.005 0.000 0.267 249 S C 0.216 174.731 174.600 -0.142 0.000 1.165 249 S CA -0.630 57.492 58.200 -0.130 0.000 1.028 249 S CB 0.286 63.407 63.200 -0.131 0.000 1.154 249 S HN 0.482 nan 8.310 nan 0.000 0.472 250 I N 1.315 121.758 120.570 -0.211 0.000 2.651 250 I HA 0.147 4.320 4.170 0.005 0.000 0.277 250 I C -1.136 174.647 176.117 -0.557 0.000 1.290 250 I CA -0.255 60.887 61.300 -0.264 0.000 1.120 250 I CB 1.864 39.763 38.000 -0.169 0.000 1.373 250 I HN 0.771 nan 8.210 nan 0.000 0.452 251 S N 4.665 120.110 115.700 -0.424 0.000 2.480 251 S HA 0.598 5.071 4.470 0.005 0.000 0.286 251 S C -0.364 174.016 174.600 -0.366 0.000 1.180 251 S CA -0.563 57.349 58.200 -0.480 0.000 1.075 251 S CB 0.674 63.741 63.200 -0.221 0.000 0.996 251 S HN 0.418 nan 8.310 nan 0.000 0.487 252 F N 3.089 123.039 119.950 -0.001 0.000 2.759 252 F HA 0.379 4.908 4.527 0.005 0.000 0.322 252 F C 1.245 177.046 175.800 0.001 0.000 1.199 252 F CA -0.840 57.160 58.000 0.000 0.000 1.272 252 F CB -0.900 38.102 39.000 0.003 0.000 1.467 252 F HN 0.691 nan 8.300 nan 0.000 0.561 253 N N 0.307 119.056 118.700 0.082 0.000 3.926 253 N HA -0.234 4.510 4.740 0.005 0.000 0.236 253 N C 0.664 176.182 175.510 0.014 0.000 0.251 253 N CA 1.717 54.795 53.050 0.046 0.000 3.141 253 N CB -0.519 38.007 38.487 0.065 0.000 1.392 253 N HN 0.468 nan 8.380 nan 0.000 0.281 254 E N 0.053 120.271 120.200 0.029 0.000 4.452 254 E HA 0.225 4.578 4.350 0.005 0.000 0.189 254 E C -0.280 176.335 176.600 0.025 0.000 1.163 254 E CA 0.297 56.704 56.400 0.012 0.000 0.841 254 E CB -0.003 29.704 29.700 0.012 0.000 2.367 254 E HN 0.376 nan 8.360 nan 0.000 0.483 255 S N 1.524 117.242 115.700 0.029 0.000 3.182 255 S HA -0.210 4.263 4.470 0.005 0.000 0.180 255 S C 0.018 174.656 174.600 0.063 0.000 0.496 255 S CA 0.830 59.052 58.200 0.037 0.000 1.761 255 S CB -0.875 62.345 63.200 0.033 0.000 0.992 255 S HN 0.298 nan 8.310 nan 0.000 0.464 256 Q N -0.019 119.819 119.800 0.064 0.000 2.781 256 Q HA 0.547 4.890 4.340 0.005 0.000 0.364 256 Q C 0.045 176.074 176.000 0.049 0.000 0.717 256 Q CA -1.270 54.600 55.803 0.113 0.000 0.884 256 Q CB 1.129 30.024 28.738 0.263 0.000 1.208 256 Q HN 0.419 nan 8.270 nan 0.000 0.502 257 R N -1.258 119.272 120.500 0.050 0.000 3.096 257 R HA 0.737 5.080 4.340 0.005 0.000 0.138 257 R C -0.166 176.010 176.300 -0.206 0.000 1.088 257 R CA -0.084 56.005 56.100 -0.018 0.000 0.652 257 R CB 0.559 30.908 30.300 0.081 0.000 1.179 257 R HN 0.794 nan 8.270 nan 0.000 0.404 258 G N 0.647 109.366 108.800 -0.136 0.000 2.407 258 G HA2 -0.108 3.855 3.960 0.005 0.000 0.210 258 G HA3 -0.108 3.855 3.960 0.005 0.000 0.210 258 G C -0.552 174.248 174.900 -0.166 0.000 1.015 258 G CA -0.585 44.368 45.100 -0.244 0.000 0.807 258 G HN 0.173 nan 8.290 nan 0.000 0.539 259 E N 1.260 121.384 120.200 -0.127 0.000 2.398 259 E HA 0.221 4.574 4.350 0.005 0.000 0.263 259 E C -0.199 176.151 176.600 -0.415 0.000 1.046 259 E CA -0.170 56.092 56.400 -0.230 0.000 0.908 259 E CB 1.151 30.756 29.700 -0.158 0.000 0.963 259 E HN 0.374 nan 8.360 nan 0.000 0.431 260 D N 1.507 121.685 120.400 -0.369 0.000 2.264 260 D HA 0.000 4.643 4.640 0.005 0.000 0.249 260 D C 0.319 176.344 176.300 -0.459 0.000 1.070 260 D CA -0.320 53.479 54.000 -0.334 0.000 0.912 260 D CB 0.950 41.637 40.800 -0.187 0.000 1.193 260 D HN 0.204 nan 8.370 nan 0.000 0.427 261 D N 2.094 122.297 120.400 -0.327 0.000 2.303 261 D HA -0.248 4.395 4.640 0.005 0.000 0.190 261 D C 1.991 178.222 176.300 -0.115 0.000 1.011 261 D CA 1.798 55.666 54.000 -0.220 0.000 0.860 261 D CB -0.038 40.714 40.800 -0.079 0.000 0.961 261 D HN 0.410 nan 8.370 nan 0.000 0.453 262 L N 0.072 121.267 121.223 -0.047 0.000 1.997 262 L HA -0.244 4.099 4.340 0.005 0.000 0.216 262 L C 2.406 179.306 176.870 0.050 0.000 1.074 262 L CA 1.651 56.531 54.840 0.066 0.000 0.763 262 L CB -0.897 41.211 42.059 0.081 0.000 0.890 262 L HN 0.139 nan 8.230 nan 0.000 0.434 263 T N -0.512 114.017 114.554 -0.042 0.000 3.003 263 T HA -0.198 4.155 4.350 0.005 0.000 0.270 263 T C 1.415 176.221 174.700 0.176 0.000 1.153 263 T CA 1.244 63.342 62.100 -0.004 0.000 1.089 263 T CB -0.306 68.516 68.868 -0.077 0.000 0.838 263 T HN 0.274 nan 8.240 nan 0.000 0.562 264 F N 0.360 120.300 119.950 -0.018 0.000 2.315 264 F HA 0.112 4.642 4.527 0.006 0.000 0.284 264 F C 2.266 178.019 175.800 -0.079 0.000 1.049 264 F CA -0.110 57.868 58.000 -0.038 0.000 1.323 264 F CB 0.093 39.080 39.000 -0.022 0.000 1.113 264 F HN -0.085 nan 8.300 nan 0.000 0.544 265 K N 1.126 121.612 120.400 0.144 0.000 2.160 265 K HA -0.172 4.151 4.320 0.005 0.000 0.206 265 K C 1.745 178.264 176.600 -0.135 0.000 1.047 265 K CA 1.107 57.379 56.287 -0.025 0.000 0.930 265 K CB -0.663 31.887 32.500 0.083 0.000 0.720 265 K HN 0.262 nan 8.250 nan 0.000 0.450 266 L N -0.339 120.816 121.223 -0.113 0.000 1.988 266 L HA -0.166 4.178 4.340 0.005 0.000 0.207 266 L C 2.393 179.207 176.870 -0.094 0.000 1.071 266 L CA 1.331 56.059 54.840 -0.188 0.000 0.744 266 L CB -0.875 41.101 42.059 -0.138 0.000 0.893 266 L HN 0.213 nan 8.230 nan 0.000 0.433 267 A N 0.236 123.048 122.820 -0.013 0.000 1.929 267 A HA -0.339 3.984 4.320 0.005 0.000 0.221 267 A C 1.961 179.513 177.584 -0.054 0.000 1.211 267 A CA 2.552 54.585 52.037 -0.007 0.000 0.657 267 A CB -0.818 18.202 19.000 0.033 0.000 0.827 267 A HN 0.455 nan 8.150 nan 0.000 0.462 268 D N -0.376 119.958 120.400 -0.111 0.000 2.077 268 D HA -0.109 4.535 4.640 0.005 0.000 0.193 268 D C 1.995 178.277 176.300 -0.030 0.000 0.989 268 D CA 1.390 55.294 54.000 -0.161 0.000 0.831 268 D CB -0.460 39.977 40.800 -0.606 0.000 0.979 268 D HN 0.505 nan 8.370 nan 0.000 0.449 269 I N 0.767 121.290 120.570 -0.078 0.000 2.143 269 I HA -0.298 3.875 4.170 0.005 0.000 0.245 269 I C 2.398 178.521 176.117 0.009 0.000 1.068 269 I CA 0.656 61.968 61.300 0.020 0.000 1.326 269 I CB -0.207 37.727 38.000 -0.109 0.000 1.028 269 I HN 0.076 nan 8.210 nan 0.000 0.412 270 L N 1.018 122.221 121.223 -0.034 0.000 1.943 270 L HA -0.235 4.109 4.340 0.005 0.000 0.215 270 L C 2.428 179.293 176.870 -0.008 0.000 1.074 270 L CA 1.945 56.767 54.840 -0.030 0.000 0.759 270 L CB -1.048 40.992 42.059 -0.032 0.000 0.888 270 L HN 0.123 nan 8.230 nan 0.000 0.433 271 K N -0.533 119.867 120.400 0.000 0.000 2.013 271 K HA -0.300 4.023 4.320 0.005 0.000 0.225 271 K C 1.935 178.549 176.600 0.024 0.000 1.056 271 K CA 2.225 58.516 56.287 0.008 0.000 0.971 271 K CB -0.829 31.681 32.500 0.018 0.000 0.731 271 K HN 0.511 nan 8.250 nan 0.000 0.450 272 A N 1.309 124.174 122.820 0.075 0.000 2.042 272 A HA -0.300 4.024 4.320 0.005 0.000 0.222 272 A C 1.874 179.478 177.584 0.032 0.000 1.167 272 A CA 2.291 54.371 52.037 0.071 0.000 0.649 272 A CB -0.793 18.298 19.000 0.152 0.000 0.809 272 A HN 0.457 nan 8.150 nan 0.000 0.457 273 N N -0.195 118.518 118.700 0.022 0.000 2.124 273 N HA -0.033 4.711 4.740 0.005 0.000 0.189 273 N C 1.557 177.060 175.510 -0.012 0.000 1.050 273 N CA 1.617 54.667 53.050 0.000 0.000 0.848 273 N CB -0.323 38.155 38.487 -0.015 0.000 1.027 273 N HN 0.427 nan 8.380 nan 0.000 0.435 274 I N 0.595 121.150 120.570 -0.025 0.000 2.074 274 I HA -0.401 3.772 4.170 0.005 0.000 0.238 274 I C 2.484 178.587 176.117 -0.023 0.000 1.037 274 I CA 1.832 63.110 61.300 -0.035 0.000 1.301 274 I CB -0.928 37.037 38.000 -0.058 0.000 1.016 274 I HN 0.376 nan 8.210 nan 0.000 0.400 275 S N 1.292 116.981 115.700 -0.019 0.000 2.399 275 S HA -0.299 4.174 4.470 0.005 0.000 0.235 275 S C 1.990 176.581 174.600 -0.015 0.000 1.063 275 S CA 1.966 60.156 58.200 -0.017 0.000 1.070 275 S CB -1.025 62.166 63.200 -0.014 0.000 0.904 275 S HN 0.386 nan 8.310 nan 0.000 0.456 276 L N 1.975 123.190 121.223 -0.012 0.000 1.943 276 L HA -0.075 4.269 4.340 0.005 0.000 0.215 276 L C 2.708 179.573 176.870 -0.009 0.000 1.074 276 L CA 2.683 57.515 54.840 -0.014 0.000 0.759 276 L CB -1.205 40.847 42.059 -0.012 0.000 0.888 276 L HN 0.577 nan 8.230 nan 0.000 0.433 277 E N -1.101 119.101 120.200 0.003 0.000 2.113 277 E HA -0.328 4.025 4.350 0.005 0.000 0.210 277 E C 1.509 178.147 176.600 0.062 0.000 1.040 277 E CA 2.320 58.743 56.400 0.038 0.000 0.847 277 E CB -0.339 29.385 29.700 0.039 0.000 0.755 277 E HN 0.600 nan 8.360 nan 0.000 0.459 278 T N 0.871 115.443 114.554 0.030 0.000 3.320 278 T HA -0.006 4.347 4.350 0.005 0.000 0.262 278 T C 1.313 176.021 174.700 0.012 0.000 1.187 278 T CA 0.345 62.462 62.100 0.028 0.000 1.038 278 T CB -0.032 68.835 68.868 -0.003 0.000 0.939 278 T HN 0.197 nan 8.240 nan 0.000 0.550 279 L N -0.400 120.820 121.223 -0.006 0.000 2.547 279 L HA 0.247 4.590 4.340 0.005 0.000 0.218 279 L C 2.045 178.871 176.870 -0.074 0.000 1.048 279 L CA 0.453 55.271 54.840 -0.037 0.000 0.859 279 L CB 0.117 42.151 42.059 -0.042 0.000 1.128 279 L HN 0.190 nan 8.230 nan 0.000 0.483 280 E N -0.387 119.745 120.200 -0.112 0.000 2.511 280 E HA -0.049 4.304 4.350 0.005 0.000 0.196 280 E C 0.368 176.729 176.600 -0.398 0.000 1.066 280 E CA 0.335 56.591 56.400 -0.239 0.000 0.871 280 E CB 0.254 29.790 29.700 -0.275 0.000 0.863 280 E HN 0.438 nan 8.360 nan 0.000 0.520 281 H N -0.596 118.449 119.070 -0.041 0.000 2.750 281 H HA 0.334 4.893 4.556 0.005 0.000 0.252 281 H C -0.037 175.265 175.328 -0.042 0.000 1.176 281 H CA -0.125 55.901 56.048 -0.037 0.000 0.987 281 H CB 0.479 30.222 29.762 -0.032 0.000 1.810 281 H HN 0.035 nan 8.280 nan 0.000 0.630 282 N N -0.746 117.965 118.700 0.019 0.000 3.522 282 N HA 0.118 4.861 4.740 0.005 0.000 0.328 282 N C 0.267 175.747 175.510 -0.051 0.000 1.623 282 N CA -0.439 52.606 53.050 -0.008 0.000 0.812 282 N CB 0.555 39.040 38.487 -0.004 0.000 2.008 282 N HN 0.165 nan 8.380 nan 0.000 0.601 283 G N 0.433 109.203 108.800 -0.051 0.000 2.515 283 G HA2 0.316 4.279 3.960 0.005 0.000 0.290 283 G HA3 0.316 4.279 3.960 0.005 0.000 0.290 283 G C -0.050 174.790 174.900 -0.099 0.000 0.795 283 G CA 0.181 45.238 45.100 -0.072 0.000 1.866 283 G HN 0.529 nan 8.290 nan 0.000 0.476 284 A N 5.590 128.319 122.820 -0.152 0.000 2.910 284 A HA 0.537 4.861 4.320 0.005 0.000 0.316 284 A C -1.378 176.038 177.584 -0.281 0.000 1.493 284 A CA -1.430 50.488 52.037 -0.199 0.000 1.150 284 A CB 0.461 19.321 19.000 -0.233 0.000 1.159 284 A HN 0.486 nan 8.150 nan 0.000 0.526 285 P HA -0.021 nan 4.420 nan 0.000 0.231 285 P C 0.667 177.892 177.300 -0.125 0.000 1.756 285 P CA 0.121 63.132 63.100 -0.148 0.000 0.990 285 P CB -0.444 31.217 31.700 -0.066 0.000 1.973 286 H N 1.043 120.003 119.070 -0.183 0.000 1.453 286 H HA -0.246 4.313 4.556 0.005 0.000 0.090 286 H C 0.558 175.669 175.328 -0.361 0.000 1.310 286 H CA 2.259 58.091 56.048 -0.360 0.000 1.901 286 H CB -1.340 28.074 29.762 -0.580 0.000 2.257 286 H HN 0.608 nan 8.280 nan 0.000 0.961 287 H N -0.336 118.811 119.070 0.128 0.000 2.524 287 H HA 0.588 5.147 4.556 0.005 0.000 0.297 287 H C 0.874 176.217 175.328 0.025 0.000 1.115 287 H CA 0.655 56.737 56.048 0.056 0.000 1.027 287 H CB 0.178 29.966 29.762 0.043 0.000 1.591 287 H HN 0.473 nan 8.280 nan 0.000 0.543 288 A N 0.012 122.880 122.820 0.079 0.000 2.508 288 A HA 0.270 4.593 4.320 0.005 0.000 0.257 288 A C 1.612 179.207 177.584 0.017 0.000 1.226 288 A CA -0.133 51.927 52.037 0.037 0.000 0.947 288 A CB 0.190 19.196 19.000 0.009 0.000 1.079 288 A HN 0.280 nan 8.150 nan 0.000 0.531 289 I N -0.015 120.574 120.570 0.030 0.000 2.729 289 I HA -0.063 4.110 4.170 0.005 0.000 0.256 289 I C 1.911 178.042 176.117 0.024 0.000 1.115 289 I CA 0.761 62.069 61.300 0.013 0.000 1.446 289 I CB 0.024 38.026 38.000 0.004 0.000 1.176 289 I HN 0.498 nan 8.210 nan 0.000 0.446 290 E N 1.336 121.573 120.200 0.061 0.000 2.527 290 E HA -0.171 4.182 4.350 0.005 0.000 0.204 290 E C 0.824 177.433 176.600 0.015 0.000 1.132 290 E CA 0.605 57.030 56.400 0.042 0.000 0.905 290 E CB -0.251 29.489 29.700 0.067 0.000 0.875 290 E HN 0.585 nan 8.360 nan 0.000 0.548 291 E N -0.061 120.143 120.200 0.007 0.000 2.473 291 E HA 0.170 4.524 4.350 0.005 0.000 0.204 291 E C 1.239 177.819 176.600 -0.034 0.000 0.994 291 E CA 0.408 56.800 56.400 -0.013 0.000 0.945 291 E CB 0.751 30.446 29.700 -0.007 0.000 0.990 291 E HN 0.352 nan 8.360 nan 0.000 0.493 292 A N 0.535 123.339 122.820 -0.027 0.000 2.508 292 A HA 0.106 4.429 4.320 0.005 0.000 0.250 292 A C 1.531 179.096 177.584 -0.032 0.000 1.208 292 A CA -0.212 51.802 52.037 -0.039 0.000 0.960 292 A CB 0.335 19.317 19.000 -0.031 0.000 1.099 292 A HN 0.046 nan 8.150 nan 0.000 0.542 293 E N 0.542 120.728 120.200 -0.023 0.000 2.364 293 E HA -0.065 4.288 4.350 0.005 0.000 0.196 293 E C 1.720 178.307 176.600 -0.023 0.000 0.990 293 E CA 1.043 57.430 56.400 -0.021 0.000 0.886 293 E CB 0.212 29.902 29.700 -0.017 0.000 0.866 293 E HN 0.635 nan 8.360 nan 0.000 0.493 294 S N 0.460 116.145 115.700 -0.025 0.000 2.461 294 S HA -0.101 4.372 4.470 0.005 0.000 0.228 294 S C 1.969 176.568 174.600 -0.002 0.000 1.005 294 S CA 0.257 58.450 58.200 -0.011 0.000 0.942 294 S CB -0.128 63.062 63.200 -0.016 0.000 0.776 294 S HN 0.230 nan 8.310 nan 0.000 0.514 295 L N 0.652 121.840 121.223 -0.059 0.000 2.093 295 L HA 0.238 4.581 4.340 0.005 0.000 0.208 295 L C 2.117 178.954 176.870 -0.055 0.000 1.085 295 L CA 1.225 55.986 54.840 -0.132 0.000 0.755 295 L CB -0.664 41.290 42.059 -0.174 0.000 0.904 295 L HN 0.370 nan 8.230 nan 0.000 0.435 296 L N -0.611 120.614 121.223 0.003 0.000 2.044 296 L HA -0.135 4.208 4.340 0.005 0.000 0.205 296 L C 2.536 179.459 176.870 0.088 0.000 1.075 296 L CA 1.880 56.752 54.840 0.054 0.000 0.747 296 L CB -0.821 41.255 42.059 0.028 0.000 0.903 296 L HN 0.463 nan 8.230 nan 0.000 0.435 297 Q N -0.932 118.906 119.800 0.062 0.000 2.135 297 Q HA -0.277 4.066 4.340 0.005 0.000 0.204 297 Q C 2.017 178.102 176.000 0.140 0.000 0.981 297 Q CA 2.245 58.090 55.803 0.070 0.000 0.856 297 Q CB -0.652 28.100 28.738 0.023 0.000 0.902 297 Q HN 0.530 nan 8.270 nan 0.000 0.425 298 F N -0.132 119.812 119.950 -0.009 0.000 2.009 298 F HA -0.164 4.367 4.527 0.005 0.000 0.293 298 F C 2.070 177.931 175.800 0.101 0.000 1.156 298 F CA 2.343 60.346 58.000 0.006 0.000 1.168 298 F CB -0.781 38.161 39.000 -0.096 0.000 0.981 298 F HN 0.237 nan 8.300 nan 0.000 0.475 299 H N -0.690 118.550 119.070 0.283 0.000 2.252 299 H HA -0.222 4.337 4.556 0.005 0.000 0.292 299 H C 2.110 177.454 175.328 0.028 0.000 1.082 299 H CA 1.788 57.903 56.048 0.111 0.000 1.229 299 H CB -0.644 29.219 29.762 0.169 0.000 1.353 299 H HN 0.175 nan 8.280 nan 0.000 0.488 300 V N 0.735 120.764 119.914 0.191 0.000 3.244 300 V HA -0.255 3.868 4.120 0.005 0.000 0.273 300 V C 2.032 178.226 176.094 0.167 0.000 1.180 300 V CA 1.265 63.652 62.300 0.145 0.000 1.182 300 V CB -0.909 30.975 31.823 0.103 0.000 0.796 300 V HN 0.528 nan 8.190 nan 0.000 0.543 301 A N -1.044 121.824 122.820 0.081 0.000 1.938 301 A HA -0.040 4.283 4.320 0.005 0.000 0.207 301 A C 2.307 179.865 177.584 -0.044 0.000 1.292 301 A CA 1.301 53.347 52.037 0.015 0.000 0.700 301 A CB -0.665 18.318 19.000 -0.028 0.000 0.947 301 A HN 0.337 nan 8.150 nan 0.000 0.476 302 T N -1.199 113.253 114.554 -0.170 0.000 2.833 302 T HA -0.181 4.172 4.350 0.005 0.000 0.269 302 T C 1.690 176.393 174.700 0.004 0.000 1.054 302 T CA 1.852 63.844 62.100 -0.180 0.000 1.135 302 T CB -0.486 68.149 68.868 -0.388 0.000 0.869 302 T HN 0.524 nan 8.240 nan 0.000 0.466 303 Y N 1.163 121.428 120.300 -0.059 0.000 2.151 303 Y HA -0.162 4.391 4.550 0.005 0.000 0.284 303 Y C 1.999 177.899 175.900 0.000 0.000 1.166 303 Y CA 1.659 59.749 58.100 -0.017 0.000 1.163 303 Y CB -0.343 38.121 38.460 0.007 0.000 0.974 303 Y HN 0.255 nan 8.280 nan 0.000 0.511 304 M N -1.019 118.536 119.600 -0.075 0.000 2.299 304 M HA 0.025 4.508 4.480 0.005 0.000 0.264 304 M C 0.000 176.255 176.300 -0.075 0.000 1.095 304 M CA 0.977 56.175 55.300 -0.170 0.000 1.165 304 M CB 0.147 32.716 32.600 -0.052 0.000 1.349 304 M HN 0.022 nan 8.290 nan 0.000 0.446 305 D N -0.140 120.231 120.400 -0.049 0.000 2.646 305 D HA 0.224 4.867 4.640 0.005 0.000 0.245 305 D C -1.049 175.216 176.300 -0.058 0.000 1.099 305 D CA -0.058 53.917 54.000 -0.042 0.000 0.849 305 D CB 1.427 42.213 40.800 -0.024 0.000 1.448 305 D HN -0.068 nan 8.370 nan 0.000 0.489 306 N N 2.107 120.779 118.700 -0.048 0.000 2.240 306 N HA 0.087 4.830 4.740 0.005 0.000 0.240 306 N C -1.206 174.290 175.510 -0.024 0.000 1.277 306 N CA -0.065 52.958 53.050 -0.044 0.000 0.873 306 N CB 0.680 39.150 38.487 -0.028 0.000 1.222 306 N HN 0.348 nan 8.380 nan 0.000 0.507 307 D N 1.064 121.450 120.400 -0.023 0.000 2.886 307 D HA 0.257 4.901 4.640 0.005 0.000 0.355 307 D C 0.432 176.727 176.300 -0.009 0.000 1.274 307 D CA -0.101 53.892 54.000 -0.013 0.000 0.836 307 D CB 1.102 41.890 40.800 -0.020 0.000 1.109 307 D HN 0.268 nan 8.370 nan 0.000 0.488 308 I N -0.211 120.358 120.570 -0.002 0.000 3.562 308 I HA 0.329 4.502 4.170 0.005 0.000 0.285 308 I C 1.836 177.963 176.117 0.018 0.000 1.211 308 I CA -0.668 60.635 61.300 0.006 0.000 0.887 308 I CB 0.695 38.699 38.000 0.007 0.000 1.581 308 I HN -0.049 nan 8.210 nan 0.000 0.735 309 A N 0.976 123.810 122.820 0.023 0.000 1.911 309 A HA 0.161 4.484 4.320 0.005 0.000 0.212 309 A C 1.674 179.282 177.584 0.039 0.000 1.189 309 A CA 0.857 52.910 52.037 0.027 0.000 0.639 309 A CB -1.031 17.984 19.000 0.026 0.000 0.839 309 A HN 0.850 nan 8.150 nan 0.000 0.449 310 G N 0.163 108.994 108.800 0.052 0.000 2.789 310 G HA2 0.295 4.258 3.960 0.005 0.000 0.281 310 G HA3 0.295 4.258 3.960 0.005 0.000 0.281 310 G C 0.549 175.499 174.900 0.082 0.000 0.708 310 G CA 0.256 45.397 45.100 0.068 0.000 2.067 310 G HN 0.599 nan 8.290 nan 0.000 0.554 311 Q N 0.733 120.572 119.800 0.065 0.000 2.463 311 Q HA -0.259 4.085 4.340 0.005 0.000 0.231 311 Q C -1.007 175.049 176.000 0.094 0.000 1.097 311 Q CA 2.022 57.865 55.803 0.066 0.000 0.992 311 Q CB -1.742 27.028 28.738 0.054 0.000 0.999 311 Q HN 0.467 nan 8.270 nan 0.000 0.536 312 P HA -0.196 nan 4.420 nan 0.000 0.224 312 P C -0.336 177.086 177.300 0.203 0.000 1.015 312 P CA 1.047 64.251 63.100 0.173 0.000 0.910 312 P CB -0.007 31.835 31.700 0.236 0.000 0.849 313 Q N 2.865 122.754 119.800 0.148 0.000 2.472 313 Q HA 0.031 4.375 4.340 0.005 0.000 0.208 313 Q C 1.054 177.150 176.000 0.160 0.000 0.958 313 Q CA 0.790 56.665 55.803 0.120 0.000 0.932 313 Q CB -0.019 28.768 28.738 0.081 0.000 1.007 313 Q HN 0.620 nan 8.270 nan 0.000 0.508 314 A N 0.670 123.657 122.820 0.278 0.000 2.800 314 A HA -0.186 4.137 4.320 0.005 0.000 0.292 314 A C 0.022 177.732 177.584 0.210 0.000 1.474 314 A CA 0.142 52.395 52.037 0.359 0.000 0.744 314 A CB -2.291 16.893 19.000 0.307 0.000 1.044 314 A HN 0.383 nan 8.150 nan 0.000 0.489 315 L N 0.041 121.359 121.223 0.158 0.000 2.490 315 L HA 0.134 4.477 4.340 0.005 0.000 0.274 315 L C 1.161 178.100 176.870 0.115 0.000 1.201 315 L CA 0.431 55.338 54.840 0.113 0.000 0.869 315 L CB 0.534 42.645 42.059 0.086 0.000 1.123 315 L HN 0.703 nan 8.230 nan 0.000 0.484 316 Q N 4.445 124.309 119.800 0.106 0.000 2.303 316 Q HA 0.130 4.473 4.340 0.005 0.000 0.257 316 Q C -0.575 175.478 176.000 0.087 0.000 0.941 316 Q CA -0.758 55.111 55.803 0.110 0.000 0.931 316 Q CB 0.957 29.780 28.738 0.142 0.000 1.215 316 Q HN 0.407 nan 8.270 nan 0.000 0.437 317 K N 2.280 122.720 120.400 0.067 0.000 2.378 317 K HA -0.233 4.090 4.320 0.005 0.000 0.250 317 K C 0.089 176.724 176.600 0.057 0.000 1.125 317 K CA 1.554 57.871 56.287 0.050 0.000 1.192 317 K CB -0.283 32.235 32.500 0.030 0.000 0.751 317 K HN 0.975 nan 8.250 nan 0.000 0.502 318 S N 0.165 115.893 115.700 0.048 0.000 1.875 318 S HA -0.090 4.384 4.470 0.005 0.000 0.246 318 S C 0.864 175.490 174.600 0.043 0.000 1.388 318 S CA 0.612 58.839 58.200 0.044 0.000 1.075 318 S CB -1.807 61.424 63.200 0.052 0.000 1.379 318 S HN 1.411 nan 8.310 nan 0.000 0.641 319 G N 1.599 110.427 108.800 0.047 0.000 2.162 319 G HA2 -0.357 3.606 3.960 0.005 0.000 0.260 319 G HA3 -0.357 3.606 3.960 0.005 0.000 0.260 319 G C -0.090 174.839 174.900 0.048 0.000 0.976 319 G CA 0.564 45.691 45.100 0.045 0.000 0.655 319 G HN 0.945 nan 8.290 nan 0.000 0.533 320 R N 0.881 121.413 120.500 0.053 0.000 2.296 320 R HA 0.286 4.629 4.340 0.005 0.000 0.323 320 R C -0.689 175.646 176.300 0.057 0.000 1.067 320 R CA -1.162 54.968 56.100 0.050 0.000 0.946 320 R CB 0.550 30.882 30.300 0.054 0.000 0.991 320 R HN 0.061 nan 8.270 nan 0.000 0.448 321 P HA -0.247 nan 4.420 nan 0.000 0.221 321 P C -0.557 176.776 177.300 0.055 0.000 1.160 321 P CA 1.205 64.333 63.100 0.048 0.000 0.933 321 P CB 0.154 31.873 31.700 0.031 0.000 0.793 322 V N -2.960 116.982 119.914 0.048 0.000 3.006 322 V HA -0.097 4.026 4.120 0.005 0.000 0.437 322 V C -0.367 175.742 176.094 0.024 0.000 0.682 322 V CA -0.393 61.937 62.300 0.050 0.000 1.970 322 V CB -0.789 31.075 31.823 0.068 0.000 2.459 322 V HN 0.102 nan 8.190 nan 0.000 0.488 323 K N 3.900 124.306 120.400 0.011 0.000 2.262 323 K HA 0.487 4.810 4.320 0.005 0.000 0.288 323 K C 0.633 177.220 176.600 -0.020 0.000 1.090 323 K CA 0.341 56.622 56.287 -0.011 0.000 0.918 323 K CB 0.822 33.309 32.500 -0.021 0.000 1.139 323 K HN 0.854 nan 8.250 nan 0.000 0.462 324 S N 2.161 117.842 115.700 -0.031 0.000 2.593 324 S HA 0.179 4.652 4.470 0.005 0.000 0.269 324 S C 1.512 176.051 174.600 -0.101 0.000 1.334 324 S CA -0.757 57.406 58.200 -0.060 0.000 1.015 324 S CB 0.709 63.875 63.200 -0.057 0.000 0.912 324 S HN 0.480 nan 8.310 nan 0.000 0.541 325 I N 1.229 121.694 120.570 -0.176 0.000 2.118 325 I HA -0.284 3.890 4.170 0.005 0.000 0.241 325 I C 2.974 179.015 176.117 -0.127 0.000 1.070 325 I CA 2.150 63.345 61.300 -0.174 0.000 1.327 325 I CB -0.512 37.332 38.000 -0.260 0.000 1.034 325 I HN 0.858 nan 8.210 nan 0.000 0.405 326 R N 1.812 122.242 120.500 -0.118 0.000 2.112 326 R HA -0.269 4.075 4.340 0.005 0.000 0.242 326 R C 2.339 178.565 176.300 -0.123 0.000 1.137 326 R CA 2.259 58.275 56.100 -0.140 0.000 0.944 326 R CB -0.610 29.621 30.300 -0.115 0.000 0.857 326 R HN 0.338 nan 8.270 nan 0.000 0.435 327 A N 1.150 123.916 122.820 -0.091 0.000 1.997 327 A HA -0.207 4.116 4.320 0.005 0.000 0.221 327 A C 2.214 179.757 177.584 -0.069 0.000 1.172 327 A CA 1.846 53.840 52.037 -0.072 0.000 0.645 327 A CB -0.602 18.366 19.000 -0.053 0.000 0.813 327 A HN 0.507 nan 8.150 nan 0.000 0.454 328 R N -0.877 119.579 120.500 -0.074 0.000 2.148 328 R HA 0.043 4.386 4.340 0.005 0.000 0.227 328 R C 1.658 177.919 176.300 -0.065 0.000 1.103 328 R CA 1.221 57.283 56.100 -0.063 0.000 0.983 328 R CB -0.283 29.980 30.300 -0.061 0.000 0.874 328 R HN 0.573 nan 8.270 nan 0.000 0.451 329 L N 0.091 121.261 121.223 -0.089 0.000 2.357 329 L HA 0.111 4.454 4.340 0.005 0.000 0.211 329 L C 0.915 177.730 176.870 -0.091 0.000 1.075 329 L CA -0.089 54.695 54.840 -0.093 0.000 0.830 329 L CB -0.230 41.750 42.059 -0.132 0.000 0.996 329 L HN -0.026 nan 8.230 nan 0.000 0.467 330 K N 2.158 122.498 120.400 -0.100 0.000 2.548 330 K HA -0.034 4.289 4.320 0.005 0.000 0.277 330 K C 0.674 177.237 176.600 -0.060 0.000 1.001 330 K CA 0.300 56.532 56.287 -0.090 0.000 1.102 330 K CB 0.303 32.755 32.500 -0.081 0.000 0.848 330 K HN 0.180 nan 8.250 nan 0.000 0.487 331 G N 3.581 112.348 108.800 -0.055 0.000 2.497 331 G HA2 -0.098 3.865 3.960 0.005 0.000 0.228 331 G HA3 -0.098 3.865 3.960 0.005 0.000 0.228 331 G C -0.510 174.387 174.900 -0.005 0.000 1.190 331 G CA 0.499 45.586 45.100 -0.022 0.000 0.857 331 G HN 0.934 nan 8.290 nan 0.000 0.526 332 K N 0.733 121.141 120.400 0.013 0.000 7.484 332 K HA -0.234 4.089 4.320 0.005 0.000 0.590 332 K C 0.882 177.483 176.600 0.003 0.000 2.588 332 K CA 1.360 57.657 56.287 0.017 0.000 2.018 332 K CB -0.311 32.204 32.500 0.025 0.000 2.133 332 K HN 0.940 nan 8.250 nan 0.000 0.239 333 E N -1.647 118.556 120.200 0.004 0.000 3.562 333 E HA -0.236 4.118 4.350 0.005 0.000 0.298 333 E C 0.288 176.883 176.600 -0.008 0.000 0.830 333 E CA 2.034 58.433 56.400 -0.001 0.000 1.013 333 E CB -1.551 28.148 29.700 -0.003 0.000 1.510 333 E HN 0.839 nan 8.360 nan 0.000 0.463 334 G N -0.411 108.382 108.800 -0.011 0.000 2.707 334 G HA2 0.473 4.437 3.960 0.005 0.000 0.299 334 G HA3 0.473 4.437 3.960 0.005 0.000 0.299 334 G C 0.344 175.231 174.900 -0.021 0.000 1.442 334 G CA 0.124 45.212 45.100 -0.021 0.000 1.009 334 G HN 0.012 nan 8.290 nan 0.000 0.515 335 R N 1.032 121.519 120.500 -0.021 0.000 3.462 335 R HA -0.349 3.994 4.340 0.005 0.000 0.574 335 R C 2.311 178.602 176.300 -0.014 0.000 0.274 335 R CA 2.342 58.430 56.100 -0.019 0.000 0.685 335 R CB -1.211 29.073 30.300 -0.028 0.000 0.616 335 R HN 0.505 nan 8.270 nan 0.000 0.317 336 I N 0.102 120.660 120.570 -0.020 0.000 2.109 336 I HA -0.376 3.797 4.170 0.005 0.000 0.233 336 I C 2.518 178.634 176.117 -0.001 0.000 1.005 336 I CA 2.412 63.705 61.300 -0.012 0.000 1.294 336 I CB -1.156 36.831 38.000 -0.022 0.000 1.005 336 I HN 0.478 nan 8.210 nan 0.000 0.392 337 R N 0.159 120.660 120.500 0.001 0.000 2.115 337 R HA -0.073 4.270 4.340 0.005 0.000 0.226 337 R C 1.859 178.164 176.300 0.008 0.000 1.100 337 R CA 1.332 57.439 56.100 0.013 0.000 0.980 337 R CB -0.197 30.119 30.300 0.026 0.000 0.875 337 R HN 0.524 nan 8.270 nan 0.000 0.445 338 G N -1.233 107.568 108.800 0.003 0.000 3.277 338 G HA2 0.019 3.982 3.960 0.005 0.000 0.243 338 G HA3 0.019 3.982 3.960 0.005 0.000 0.243 338 G C 0.583 175.484 174.900 0.002 0.000 1.107 338 G CA -0.263 44.839 45.100 0.003 0.000 0.771 338 G HN 0.198 nan 8.290 nan 0.000 0.544 339 N N -0.593 118.107 118.700 -0.001 0.000 2.272 339 N HA 0.207 4.950 4.740 0.005 0.000 0.228 339 N C 1.627 177.136 175.510 -0.001 0.000 1.206 339 N CA 0.029 53.078 53.050 -0.001 0.000 0.855 339 N CB 0.740 39.224 38.487 -0.004 0.000 1.248 339 N HN 0.206 nan 8.380 nan 0.000 0.476 340 L N 0.163 121.385 121.223 -0.002 0.000 2.435 340 L HA 0.251 4.594 4.340 0.005 0.000 0.195 340 L C 1.827 178.694 176.870 -0.005 0.000 1.072 340 L CA 0.278 55.116 54.840 -0.003 0.000 0.833 340 L CB -0.125 41.933 42.059 -0.001 0.000 1.081 340 L HN -0.044 nan 8.230 nan 0.000 0.485 341 M N 0.076 119.675 119.600 -0.003 0.000 2.460 341 M HA 0.126 4.610 4.480 0.005 0.000 0.263 341 M C 0.740 177.034 176.300 -0.011 0.000 1.071 341 M CA 0.536 55.833 55.300 -0.006 0.000 1.096 341 M CB -0.828 31.773 32.600 0.002 0.000 1.408 341 M HN 0.222 nan 8.290 nan 0.000 0.463 342 G N 0.579 109.375 108.800 -0.007 0.000 2.760 342 G HA2 0.555 4.519 3.960 0.005 0.000 0.296 342 G HA3 0.555 4.519 3.960 0.005 0.000 0.296 342 G C -1.095 173.804 174.900 -0.001 0.000 1.427 342 G CA -0.725 44.371 45.100 -0.007 0.000 1.109 342 G HN 0.158 nan 8.290 nan 0.000 0.553 343 K N 0.973 121.372 120.400 -0.002 0.000 2.409 343 K HA 0.633 4.956 4.320 0.005 0.000 0.252 343 K C -0.173 176.438 176.600 0.019 0.000 1.036 343 K CA -1.061 55.230 56.287 0.007 0.000 0.871 343 K CB 2.589 35.093 32.500 0.006 0.000 1.374 343 K HN 0.381 nan 8.250 nan 0.000 0.459 344 R N 0.539 121.057 120.500 0.029 0.000 2.560 344 R HA 0.491 4.834 4.340 0.005 0.000 0.270 344 R C -0.368 175.965 176.300 0.056 0.000 1.074 344 R CA -0.581 55.547 56.100 0.047 0.000 1.140 344 R CB 1.223 31.548 30.300 0.042 0.000 1.073 344 R HN 0.516 nan 8.270 nan 0.000 0.527 345 V N -1.965 118.001 119.914 0.086 0.000 3.206 345 V HA 0.508 4.631 4.120 0.005 0.000 0.305 345 V C -1.251 174.932 176.094 0.148 0.000 1.257 345 V CA -1.064 61.299 62.300 0.106 0.000 1.057 345 V CB 2.396 34.272 31.823 0.088 0.000 1.075 345 V HN 0.591 nan 8.190 nan 0.000 0.443 346 D N 0.192 120.716 120.400 0.207 0.000 2.478 346 D HA 0.578 5.221 4.640 0.005 0.000 0.263 346 D C -0.262 176.275 176.300 0.395 0.000 1.153 346 D CA 0.064 54.191 54.000 0.211 0.000 1.038 346 D CB 0.577 41.502 40.800 0.209 0.000 1.120 346 D HN 0.769 nan 8.370 nan 0.000 0.564 347 F N -0.406 119.611 119.950 0.111 0.000 2.891 347 F HA -0.231 4.299 4.527 0.005 0.000 0.272 347 F C 0.194 176.094 175.800 0.167 0.000 1.004 347 F CA 0.138 58.216 58.000 0.131 0.000 0.938 347 F CB -2.069 37.010 39.000 0.132 0.000 0.939 347 F HN 0.168 nan 8.300 nan 0.000 0.833 348 S N -0.935 114.905 115.700 0.233 0.000 2.564 348 S HA 1.007 5.480 4.470 0.005 0.000 0.274 348 S C -0.559 174.110 174.600 0.116 0.000 1.124 348 S CA -0.348 57.966 58.200 0.191 0.000 0.869 348 S CB 2.627 65.979 63.200 0.254 0.000 1.105 348 S HN 1.388 nan 8.310 nan 0.000 0.472 349 A N 1.279 124.160 122.820 0.102 0.000 2.606 349 A HA 0.940 5.263 4.320 0.005 0.000 0.293 349 A C -0.919 176.815 177.584 0.250 0.000 1.082 349 A CA -0.887 51.255 52.037 0.175 0.000 0.685 349 A CB 1.846 20.993 19.000 0.244 0.000 1.284 349 A HN 1.078 nan 8.150 nan 0.000 0.408 350 R N 0.138 120.809 120.500 0.284 0.000 2.604 350 R HA 0.720 5.063 4.340 0.005 0.000 0.270 350 R C -0.888 175.570 176.300 0.264 0.000 1.052 350 R CA 0.466 56.787 56.100 0.368 0.000 0.902 350 R CB 2.002 32.385 30.300 0.139 0.000 1.233 350 R HN 1.445 nan 8.270 nan 0.000 0.455 351 T N -1.492 113.254 114.554 0.321 0.000 2.630 351 T HA 0.363 4.716 4.350 0.005 0.000 0.300 351 T C -1.055 173.724 174.700 0.131 0.000 1.261 351 T CA -0.572 61.554 62.100 0.044 0.000 1.060 351 T CB 0.826 69.526 68.868 -0.279 0.000 1.670 351 T HN 0.198 nan 8.240 nan 0.000 0.473 352 V N 2.248 122.189 119.914 0.044 0.000 2.509 352 V HA 0.547 4.670 4.120 0.005 0.000 0.284 352 V C 0.487 176.656 176.094 0.125 0.000 1.047 352 V CA -0.777 61.574 62.300 0.084 0.000 0.952 352 V CB 0.755 32.601 31.823 0.038 0.000 0.988 352 V HN 0.852 nan 8.190 nan 0.000 0.469 353 I N 2.526 123.210 120.570 0.190 0.000 2.488 353 I HA 0.895 5.068 4.170 0.005 0.000 0.299 353 I C -0.036 176.111 176.117 0.051 0.000 0.984 353 I CA -0.044 61.386 61.300 0.217 0.000 1.250 353 I CB 2.024 40.225 38.000 0.334 0.000 1.389 353 I HN 0.657 nan 8.210 nan 0.000 0.488 354 S N 2.818 118.285 115.700 -0.390 0.000 2.536 354 S HA 0.702 5.175 4.470 0.005 0.000 0.271 354 S C -0.160 173.616 174.600 -1.372 0.000 1.134 354 S CA -0.665 56.837 58.200 -1.164 0.000 0.897 354 S CB 1.093 63.985 63.200 -0.513 0.000 1.094 354 S HN 1.151 nan 8.310 nan 0.000 0.473 355 G N 0.339 107.901 108.800 -2.063 0.000 2.594 355 G HA2 0.458 4.422 3.960 0.005 0.000 0.243 355 G HA3 0.458 4.422 3.960 0.005 0.000 0.243 355 G C -0.848 173.885 174.900 -0.278 0.000 1.229 355 G CA -0.075 44.657 45.100 -0.614 0.000 0.843 355 G HN 0.764 nan 8.290 nan 0.000 0.578 356 D N 1.061 121.406 120.400 -0.091 0.000 2.337 356 D HA 0.178 4.821 4.640 0.005 0.000 0.238 356 D C -1.931 174.379 176.300 0.016 0.000 1.331 356 D CA -1.182 52.785 54.000 -0.054 0.000 0.967 356 D CB 1.840 42.594 40.800 -0.078 0.000 1.382 356 D HN 0.149 nan 8.370 nan 0.000 0.549 357 P HA -0.017 nan 4.420 nan 0.000 0.261 357 P C 0.236 177.600 177.300 0.106 0.000 1.288 357 P CA 0.327 63.482 63.100 0.091 0.000 0.751 357 P CB 0.252 32.014 31.700 0.103 0.000 1.103 358 N N -0.887 117.853 118.700 0.067 0.000 2.159 358 N HA 0.188 4.931 4.740 0.005 0.000 0.217 358 N C 0.414 175.935 175.510 0.017 0.000 1.223 358 N CA -0.026 53.059 53.050 0.058 0.000 0.896 358 N CB 0.784 39.298 38.487 0.045 0.000 1.064 358 N HN 0.244 nan 8.380 nan 0.000 0.518 359 L N 1.040 122.272 121.223 0.015 0.000 2.375 359 L HA 0.357 4.700 4.340 0.005 0.000 0.268 359 L C 0.654 177.536 176.870 0.020 0.000 1.058 359 L CA -0.809 54.029 54.840 -0.003 0.000 0.803 359 L CB 1.018 43.061 42.059 -0.027 0.000 1.212 359 L HN -0.135 nan 8.230 nan 0.000 0.451 360 E N 0.698 120.906 120.200 0.013 0.000 2.369 360 E HA 0.040 4.393 4.350 0.005 0.000 0.255 360 E C 0.704 177.324 176.600 0.034 0.000 1.172 360 E CA -0.444 55.976 56.400 0.033 0.000 0.932 360 E CB 0.970 30.685 29.700 0.025 0.000 1.040 360 E HN 0.405 nan 8.360 nan 0.000 0.454 361 L N 1.852 123.094 121.223 0.031 0.000 1.990 361 L HA -0.247 4.096 4.340 0.005 0.000 0.213 361 L C 1.411 178.316 176.870 0.057 0.000 1.072 361 L CA 2.542 57.374 54.840 -0.013 0.000 0.755 361 L CB -0.676 41.298 42.059 -0.143 0.000 0.889 361 L HN 0.574 nan 8.230 nan 0.000 0.432 362 D N -1.491 118.942 120.400 0.055 0.000 2.371 362 D HA -0.087 4.556 4.640 0.005 0.000 0.234 362 D C 0.717 177.124 176.300 0.178 0.000 1.049 362 D CA 0.277 54.342 54.000 0.109 0.000 0.907 362 D CB -0.312 40.498 40.800 0.017 0.000 0.891 362 D HN 0.548 nan 8.370 nan 0.000 0.531 363 Q N -0.684 119.174 119.800 0.097 0.000 2.162 363 Q HA 0.587 4.930 4.340 0.005 0.000 0.197 363 Q C -1.013 174.889 176.000 -0.163 0.000 1.013 363 Q CA -1.077 54.728 55.803 0.003 0.000 1.040 363 Q CB 2.426 31.142 28.738 -0.036 0.000 1.114 363 Q HN 0.032 nan 8.270 nan 0.000 0.547 364 V N 0.017 119.776 119.914 -0.258 0.000 2.719 364 V HA 0.387 4.510 4.120 0.005 0.000 0.289 364 V C -0.954 174.970 176.094 -0.283 0.000 1.167 364 V CA -0.413 61.587 62.300 -0.500 0.000 0.929 364 V CB 1.529 32.781 31.823 -0.952 0.000 1.050 364 V HN 0.817 nan 8.190 nan 0.000 0.448 365 G N 5.831 114.512 108.800 -0.198 0.000 2.346 365 G HA2 0.460 4.423 3.960 0.005 0.000 0.275 365 G HA3 0.460 4.423 3.960 0.005 0.000 0.275 365 G C -0.397 174.493 174.900 -0.017 0.000 1.190 365 G CA -0.006 45.038 45.100 -0.095 0.000 1.015 365 G HN 0.901 nan 8.290 nan 0.000 0.441 366 V N 6.269 126.174 119.914 -0.016 0.000 2.427 366 V HA 0.339 4.462 4.120 0.005 0.000 0.286 366 V C -1.757 174.289 176.094 -0.080 0.000 1.034 366 V CA -1.811 60.510 62.300 0.034 0.000 0.893 366 V CB 2.018 33.885 31.823 0.072 0.000 0.982 366 V HN 0.638 nan 8.190 nan 0.000 0.452 367 P HA 0.123 nan 4.420 nan 0.000 0.276 367 P C 0.549 177.746 177.300 -0.171 0.000 1.235 367 P CA -0.260 62.737 63.100 -0.171 0.000 0.772 367 P CB 1.055 32.625 31.700 -0.217 0.000 0.871 368 K N 3.320 123.594 120.400 -0.209 0.000 2.097 368 K HA -0.296 4.028 4.320 0.005 0.000 0.214 368 K C 1.991 178.488 176.600 -0.173 0.000 1.052 368 K CA 2.549 58.676 56.287 -0.266 0.000 0.932 368 K CB -0.625 31.712 32.500 -0.272 0.000 0.716 368 K HN 0.403 nan 8.250 nan 0.000 0.455 369 S N 0.458 116.071 115.700 -0.144 0.000 2.393 369 S HA -0.239 4.234 4.470 0.005 0.000 0.235 369 S C 1.944 176.500 174.600 -0.073 0.000 1.061 369 S CA 2.069 60.206 58.200 -0.106 0.000 1.129 369 S CB -0.435 62.699 63.200 -0.110 0.000 1.011 369 S HN 0.433 nan 8.310 nan 0.000 0.436 370 I N 1.687 122.211 120.570 -0.077 0.000 2.163 370 I HA -0.095 4.078 4.170 0.005 0.000 0.240 370 I C 2.975 179.115 176.117 0.037 0.000 1.081 370 I CA 1.054 62.342 61.300 -0.019 0.000 1.353 370 I CB -0.844 37.142 38.000 -0.024 0.000 1.054 370 I HN 0.477 nan 8.210 nan 0.000 0.407 371 A N 0.635 123.466 122.820 0.019 0.000 2.093 371 A HA -0.243 4.080 4.320 0.005 0.000 0.222 371 A C 2.181 179.870 177.584 0.175 0.000 1.162 371 A CA 1.707 53.804 52.037 0.100 0.000 0.655 371 A CB -0.520 18.500 19.000 0.034 0.000 0.805 371 A HN 0.399 nan 8.150 nan 0.000 0.461 372 K N -1.594 118.845 120.400 0.064 0.000 2.400 372 K HA 0.043 4.366 4.320 0.005 0.000 0.194 372 K C 1.427 178.178 176.600 0.252 0.000 1.033 372 K CA 1.004 57.311 56.287 0.034 0.000 1.021 372 K CB 0.110 32.531 32.500 -0.132 0.000 0.808 372 K HN 0.452 nan 8.250 nan 0.000 0.505 373 T N 1.123 115.760 114.554 0.138 0.000 2.988 373 T HA 0.152 4.505 4.350 0.005 0.000 0.240 373 T C 0.727 175.466 174.700 0.064 0.000 1.014 373 T CA 0.117 62.258 62.100 0.067 0.000 1.155 373 T CB 0.188 69.070 68.868 0.023 0.000 0.872 373 T HN -0.008 nan 8.240 nan 0.000 0.440 374 L N 1.991 123.282 121.223 0.113 0.000 2.456 374 L HA 0.367 4.710 4.340 0.005 0.000 0.272 374 L C 0.402 177.399 176.870 0.211 0.000 1.189 374 L CA 0.049 54.979 54.840 0.150 0.000 0.846 374 L CB 0.599 42.777 42.059 0.198 0.000 1.111 374 L HN 0.165 nan 8.230 nan 0.000 0.475 375 T N 1.584 116.309 114.554 0.285 0.000 2.903 375 T HA 0.458 4.811 4.350 0.005 0.000 0.299 375 T C -1.551 173.421 174.700 0.453 0.000 1.093 375 T CA -0.413 61.865 62.100 0.297 0.000 1.002 375 T CB 1.230 70.204 68.868 0.176 0.000 1.127 375 T HN 0.362 nan 8.240 nan 0.000 0.488 376 Y N 5.627 126.027 120.300 0.168 0.000 2.331 376 Y HA 0.579 5.132 4.550 0.004 0.000 0.334 376 Y C -2.554 173.386 175.900 0.067 0.000 0.960 376 Y CA -2.643 55.517 58.100 0.101 0.000 1.130 376 Y CB 2.069 40.570 38.460 0.069 0.000 1.164 376 Y HN 0.362 nan 8.280 nan 0.000 0.458 377 P HA 0.103 nan 4.420 nan 0.000 0.279 377 P C -0.911 175.984 177.300 -0.676 0.000 1.318 377 P CA 0.189 63.016 63.100 -0.455 0.000 0.819 377 P CB 0.989 32.493 31.700 -0.326 0.000 0.927 378 E N 2.767 122.775 120.200 -0.321 0.000 2.202 378 E HA 0.379 4.732 4.350 0.005 0.000 0.272 378 E C -0.866 175.684 176.600 -0.084 0.000 0.951 378 E CA -1.045 55.257 56.400 -0.164 0.000 0.813 378 E CB 1.458 31.169 29.700 0.019 0.000 1.151 378 E HN 0.120 nan 8.360 nan 0.000 0.398 379 V N 3.828 123.713 119.914 -0.048 0.000 2.407 379 V HA 0.164 4.287 4.120 0.005 0.000 0.278 379 V C 0.015 176.092 176.094 -0.029 0.000 1.037 379 V CA -0.969 61.318 62.300 -0.022 0.000 0.900 379 V CB 1.282 33.096 31.823 -0.015 0.000 0.983 379 V HN 0.528 nan 8.190 nan 0.000 0.459 380 V N 4.790 124.690 119.914 -0.024 0.000 2.475 380 V HA 0.090 4.214 4.120 0.005 0.000 0.292 380 V C 0.704 176.661 176.094 -0.227 0.000 1.003 380 V CA 1.094 63.324 62.300 -0.117 0.000 1.120 380 V CB 0.248 32.004 31.823 -0.112 0.000 0.937 380 V HN 1.032 nan 8.190 nan 0.000 0.476 381 T N 7.870 122.246 114.554 -0.297 0.000 2.912 381 T HA 0.416 4.769 4.350 0.005 0.000 0.299 381 T C -1.549 172.857 174.700 -0.490 0.000 1.052 381 T CA -1.165 60.696 62.100 -0.399 0.000 0.996 381 T CB 2.238 70.884 68.868 -0.371 0.000 1.070 381 T HN 0.436 nan 8.240 nan 0.000 0.465 382 P HA -0.221 nan 4.420 nan 0.000 0.218 382 P C 1.028 178.314 177.300 -0.023 0.000 1.152 382 P CA 1.735 64.743 63.100 -0.154 0.000 0.857 382 P CB -0.059 31.764 31.700 0.206 0.000 0.787 383 Y N 1.067 121.364 120.300 -0.006 0.000 2.207 383 Y HA -0.201 4.352 4.550 0.005 0.000 0.287 383 Y C 2.332 178.216 175.900 -0.027 0.000 1.156 383 Y CA 1.049 59.146 58.100 -0.005 0.000 1.182 383 Y CB -0.971 37.493 38.460 0.007 0.000 0.979 383 Y HN 0.233 nan 8.280 nan 0.000 0.521 384 N N -1.462 117.269 118.700 0.051 0.000 2.257 384 N HA -0.028 4.715 4.740 0.005 0.000 0.200 384 N C 1.241 176.713 175.510 -0.065 0.000 1.163 384 N CA -0.006 53.048 53.050 0.007 0.000 0.891 384 N CB -0.544 37.957 38.487 0.023 0.000 1.067 384 N HN 0.056 nan 8.380 nan 0.000 0.497 385 I N 2.363 122.833 120.570 -0.166 0.000 2.661 385 I HA -0.461 3.712 4.170 0.005 0.000 0.221 385 I C 1.209 177.262 176.117 -0.106 0.000 0.909 385 I CA 2.163 63.337 61.300 -0.210 0.000 1.212 385 I CB -0.892 36.931 38.000 -0.295 0.000 0.929 385 I HN 0.325 nan 8.210 nan 0.000 0.375 386 D N -0.250 120.109 120.400 -0.068 0.000 2.242 386 D HA -0.284 4.359 4.640 0.005 0.000 0.193 386 D C 2.102 178.388 176.300 -0.022 0.000 1.005 386 D CA 2.075 56.054 54.000 -0.034 0.000 0.856 386 D CB -0.606 40.187 40.800 -0.013 0.000 1.001 386 D HN 0.392 nan 8.370 nan 0.000 0.452 387 R N 0.643 121.136 120.500 -0.011 0.000 2.119 387 R HA -0.160 4.183 4.340 0.005 0.000 0.246 387 R C 2.692 178.990 176.300 -0.004 0.000 1.146 387 R CA 1.024 57.123 56.100 -0.002 0.000 0.962 387 R CB -0.478 29.829 30.300 0.010 0.000 0.863 387 R HN 0.189 nan 8.270 nan 0.000 0.442 388 L N -0.293 120.922 121.223 -0.014 0.000 2.017 388 L HA -0.171 4.173 4.340 0.005 0.000 0.208 388 L C 2.271 179.136 176.870 -0.008 0.000 1.073 388 L CA 1.901 56.735 54.840 -0.011 0.000 0.745 388 L CB -0.336 41.707 42.059 -0.026 0.000 0.894 388 L HN 0.315 nan 8.230 nan 0.000 0.432 389 T N -1.486 113.056 114.554 -0.020 0.000 2.833 389 T HA -0.255 4.098 4.350 0.005 0.000 0.269 389 T C 1.670 176.369 174.700 -0.001 0.000 1.054 389 T CA 1.234 63.328 62.100 -0.010 0.000 1.135 389 T CB -0.115 68.739 68.868 -0.023 0.000 0.869 389 T HN 0.213 nan 8.240 nan 0.000 0.466 390 Q N 1.135 120.932 119.800 -0.004 0.000 2.016 390 Q HA 0.025 4.368 4.340 0.005 0.000 0.200 390 Q C 2.144 178.146 176.000 0.002 0.000 0.978 390 Q CA 1.473 57.276 55.803 -0.000 0.000 0.833 390 Q CB -0.827 27.910 28.738 -0.002 0.000 0.895 390 Q HN 0.500 nan 8.270 nan 0.000 0.427 391 L N -0.601 120.623 121.223 0.002 0.000 1.978 391 L HA -0.283 4.060 4.340 0.005 0.000 0.218 391 L C 2.342 179.215 176.870 0.005 0.000 1.075 391 L CA 1.653 56.495 54.840 0.003 0.000 0.767 391 L CB -1.006 41.054 42.059 0.002 0.000 0.890 391 L HN 0.139 nan 8.230 nan 0.000 0.434 392 V N -0.402 119.515 119.914 0.006 0.000 2.222 392 V HA -0.407 3.716 4.120 0.005 0.000 0.252 392 V C 2.597 178.700 176.094 0.015 0.000 1.060 392 V CA 2.200 64.507 62.300 0.012 0.000 1.027 392 V CB -0.794 31.046 31.823 0.030 0.000 0.644 392 V HN 0.420 nan 8.190 nan 0.000 0.448 393 R N -0.145 120.365 120.500 0.016 0.000 2.154 393 R HA -0.255 4.089 4.340 0.005 0.000 0.236 393 R C 2.323 178.632 176.300 0.016 0.000 1.121 393 R CA 2.144 58.255 56.100 0.017 0.000 0.915 393 R CB -0.810 29.497 30.300 0.013 0.000 0.856 393 R HN 0.566 nan 8.270 nan 0.000 0.431 394 N N -0.026 118.681 118.700 0.013 0.000 2.200 394 N HA -0.196 4.547 4.740 0.005 0.000 0.199 394 N C 1.032 176.556 175.510 0.022 0.000 0.987 394 N CA 1.752 54.810 53.050 0.014 0.000 0.908 394 N CB -0.271 38.223 38.487 0.011 0.000 1.035 394 N HN 0.519 nan 8.380 nan 0.000 0.481 395 G N -1.194 107.621 108.800 0.025 0.000 2.592 395 G HA2 -0.132 3.831 3.960 0.005 0.000 0.684 395 G HA3 -0.132 3.831 3.960 0.005 0.000 0.684 395 G C -2.552 172.386 174.900 0.063 0.000 1.291 395 G CA -0.093 45.023 45.100 0.028 0.000 0.891 395 G HN 0.126 nan 8.290 nan 0.000 0.544 396 P HA 0.212 nan 4.420 nan 0.000 0.269 396 P C 0.463 177.845 177.300 0.138 0.000 1.478 396 P CA 0.153 63.323 63.100 0.118 0.000 1.045 396 P CB 0.308 31.974 31.700 -0.057 0.000 1.512 397 N N -0.340 118.404 118.700 0.074 0.000 2.564 397 N HA 0.055 4.799 4.740 0.005 0.000 0.202 397 N C 0.712 176.218 175.510 -0.007 0.000 1.052 397 N CA 0.284 53.348 53.050 0.023 0.000 0.872 397 N CB -0.039 38.456 38.487 0.014 0.000 1.303 397 N HN 0.154 nan 8.380 nan 0.000 0.440 398 E N -0.025 120.176 120.200 0.002 0.000 2.410 398 E HA -0.044 4.309 4.350 0.005 0.000 0.255 398 E C 0.371 176.935 176.600 -0.060 0.000 1.194 398 E CA -0.005 56.387 56.400 -0.014 0.000 0.955 398 E CB 0.803 30.501 29.700 -0.003 0.000 0.988 398 E HN 0.294 nan 8.360 nan 0.000 0.461 399 H N 1.697 120.692 119.070 -0.124 0.000 2.435 399 H HA 0.043 4.601 4.556 0.004 0.000 0.309 399 H C -1.694 173.545 175.328 -0.149 0.000 1.041 399 H CA 0.516 56.439 56.048 -0.208 0.000 1.277 399 H CB -1.080 28.592 29.762 -0.151 0.000 1.455 399 H HN 0.260 nan 8.280 nan 0.000 0.581 400 P HA 0.135 nan 4.420 nan 0.000 0.250 400 P C -0.517 176.683 177.300 -0.166 0.000 1.198 400 P CA 1.124 63.916 63.100 -0.514 0.000 1.118 400 P CB 0.006 31.589 31.700 -0.194 0.000 1.208 401 G N 1.306 110.135 108.800 0.049 0.000 2.753 401 G HA2 0.800 4.763 3.960 0.005 0.000 0.303 401 G HA3 0.800 4.763 3.960 0.005 0.000 0.303 401 G C -1.848 173.129 174.900 0.128 0.000 1.242 401 G CA -0.174 45.033 45.100 0.179 0.000 0.810 401 G HN 0.465 nan 8.290 nan 0.000 0.515 402 A N -1.065 121.682 122.820 -0.120 0.000 2.602 402 A HA 0.796 5.120 4.320 0.005 0.000 0.290 402 A C -0.659 176.720 177.584 -0.341 0.000 1.114 402 A CA -0.033 51.784 52.037 -0.366 0.000 0.683 402 A CB 1.511 20.426 19.000 -0.141 0.000 1.281 402 A HN 1.295 nan 8.150 nan 0.000 0.416 403 K N -0.351 119.833 120.400 -0.360 0.000 2.860 403 K HA 0.578 4.901 4.320 0.005 0.000 0.204 403 K C -1.246 175.142 176.600 -0.354 0.000 1.127 403 K CA -0.137 55.931 56.287 -0.365 0.000 1.050 403 K CB 0.352 32.558 32.500 -0.489 0.000 0.745 403 K HN 0.560 nan 8.250 nan 0.000 0.459 404 Y N 0.015 120.247 120.300 -0.114 0.000 2.273 404 Y HA 0.150 4.704 4.550 0.007 0.000 0.316 404 Y C -1.482 174.371 175.900 -0.080 0.000 1.294 404 Y CA -1.353 56.689 58.100 -0.097 0.000 1.198 404 Y CB 1.931 40.337 38.460 -0.090 0.000 1.299 404 Y HN -0.184 nan 8.280 nan 0.000 0.413 405 V N 6.074 126.041 119.914 0.088 0.000 2.448 405 V HA 0.541 4.664 4.120 0.005 0.000 0.295 405 V C -0.268 175.734 176.094 -0.153 0.000 1.025 405 V CA -0.582 61.717 62.300 -0.002 0.000 0.859 405 V CB 1.752 33.602 31.823 0.045 0.000 0.988 405 V HN 0.482 nan 8.190 nan 0.000 0.431 406 I N 3.179 123.622 120.570 -0.212 0.000 2.436 406 I HA 0.743 4.916 4.170 0.005 0.000 0.289 406 I C -0.335 175.439 176.117 -0.572 0.000 1.010 406 I CA -0.935 60.156 61.300 -0.347 0.000 1.098 406 I CB 1.813 39.664 38.000 -0.248 0.000 1.266 406 I HN 0.467 nan 8.210 nan 0.000 0.434 407 R N 2.331 122.309 120.500 -0.870 0.000 2.643 407 R HA 0.344 4.687 4.340 0.005 0.000 0.272 407 R C 0.609 176.581 176.300 -0.547 0.000 0.995 407 R CA -0.605 54.681 56.100 -1.357 0.000 1.032 407 R CB 0.597 29.821 30.300 -1.793 0.000 1.126 407 R HN 0.754 nan 8.270 nan 0.000 0.505 408 D N 0.391 120.634 120.400 -0.261 0.000 2.248 408 D HA -0.306 4.337 4.640 0.005 0.000 0.191 408 D C 0.826 177.076 176.300 -0.083 0.000 1.013 408 D CA 2.054 56.032 54.000 -0.037 0.000 0.883 408 D CB -0.599 40.274 40.800 0.121 0.000 0.915 408 D HN 0.494 nan 8.370 nan 0.000 0.448 409 S N -0.459 115.178 115.700 -0.105 0.000 3.054 409 S HA 0.236 4.709 4.470 0.005 0.000 0.243 409 S C 1.464 175.995 174.600 -0.115 0.000 1.013 409 S CA -0.017 58.130 58.200 -0.088 0.000 1.119 409 S CB -1.376 61.781 63.200 -0.072 0.000 0.838 409 S HN 0.680 nan 8.310 nan 0.000 0.505 410 G N 1.003 109.726 108.800 -0.128 0.000 2.293 410 G HA2 -0.207 3.756 3.960 0.005 0.000 0.271 410 G HA3 -0.207 3.756 3.960 0.005 0.000 0.271 410 G C -0.402 174.417 174.900 -0.136 0.000 0.857 410 G CA 0.599 45.624 45.100 -0.124 0.000 1.221 410 G HN 0.759 nan 8.290 nan 0.000 0.445 411 D N -0.714 119.573 120.400 -0.188 0.000 2.964 411 D HA 0.437 5.080 4.640 0.005 0.000 0.234 411 D C 0.349 176.509 176.300 -0.234 0.000 1.223 411 D CA -0.817 53.074 54.000 -0.181 0.000 0.889 411 D CB 0.977 41.683 40.800 -0.156 0.000 1.609 411 D HN 0.422 nan 8.370 nan 0.000 0.523 412 R N 3.234 123.597 120.500 -0.228 0.000 2.308 412 R HA 0.543 4.886 4.340 0.005 0.000 0.305 412 R C -0.075 176.096 176.300 -0.215 0.000 1.053 412 R CA -0.570 55.354 56.100 -0.294 0.000 0.957 412 R CB 1.113 31.159 30.300 -0.423 0.000 1.022 412 R HN 0.397 nan 8.270 nan 0.000 0.461 413 I N 2.489 122.953 120.570 -0.177 0.000 2.307 413 I HA 0.042 4.215 4.170 0.005 0.000 0.289 413 I C -0.044 176.104 176.117 0.052 0.000 1.021 413 I CA -0.576 60.685 61.300 -0.064 0.000 1.224 413 I CB 1.280 39.248 38.000 -0.055 0.000 1.376 413 I HN 0.514 nan 8.210 nan 0.000 0.470 414 D N 7.306 127.761 120.400 0.091 0.000 2.359 414 D HA 0.093 4.736 4.640 0.005 0.000 0.250 414 D C 1.133 177.465 176.300 0.053 0.000 1.264 414 D CA 0.068 54.190 54.000 0.204 0.000 0.911 414 D CB 1.044 41.894 40.800 0.083 0.000 1.056 414 D HN 0.502 nan 8.370 nan 0.000 0.499 415 L N 3.819 125.067 121.223 0.042 0.000 2.263 415 L HA -0.206 4.138 4.340 0.005 0.000 0.216 415 L C 2.362 179.201 176.870 -0.051 0.000 1.111 415 L CA 1.060 55.889 54.840 -0.017 0.000 0.773 415 L CB -0.166 41.866 42.059 -0.045 0.000 0.906 415 L HN 0.448 nan 8.230 nan 0.000 0.439 416 R N -1.835 118.567 120.500 -0.163 0.000 2.276 416 R HA -0.041 4.303 4.340 0.005 0.000 0.196 416 R C 1.229 177.634 176.300 0.176 0.000 0.961 416 R CA 0.663 56.702 56.100 -0.101 0.000 1.024 416 R CB -0.117 30.034 30.300 -0.248 0.000 0.940 416 R HN 0.387 nan 8.270 nan 0.000 0.480 417 Y N 0.834 121.146 120.300 0.019 0.000 2.740 417 Y HA 0.128 4.678 4.550 -0.001 0.000 0.257 417 Y C 0.960 176.873 175.900 0.022 0.000 1.064 417 Y CA -0.523 57.589 58.100 0.020 0.000 1.351 417 Y CB 0.007 38.482 38.460 0.025 0.000 1.439 417 Y HN -0.004 nan 8.280 nan 0.000 0.488 418 S N 3.046 118.870 115.700 0.207 0.000 4.273 418 S HA -0.219 4.255 4.470 0.005 0.000 0.512 418 S C 0.980 175.634 174.600 0.089 0.000 1.063 418 S CA 0.554 58.824 58.200 0.118 0.000 0.904 418 S CB -0.004 63.245 63.200 0.082 0.000 0.778 418 S HN 0.567 nan 8.310 nan 0.000 0.467 419 K N 4.310 124.751 120.400 0.069 0.000 2.589 419 K HA -0.095 4.229 4.320 0.005 0.000 0.195 419 K C 1.244 177.873 176.600 0.048 0.000 1.040 419 K CA 1.399 57.716 56.287 0.051 0.000 0.950 419 K CB -0.122 32.400 32.500 0.037 0.000 0.781 419 K HN 0.702 nan 8.250 nan 0.000 0.486 420 R N -0.180 120.352 120.500 0.054 0.000 2.509 420 R HA 0.257 4.600 4.340 0.005 0.000 0.300 420 R C 1.673 178.005 176.300 0.055 0.000 0.985 420 R CA 0.332 56.463 56.100 0.052 0.000 1.092 420 R CB 0.464 30.798 30.300 0.057 0.000 1.237 420 R HN 0.223 nan 8.270 nan 0.000 0.546 421 A N 1.427 124.280 122.820 0.056 0.000 1.882 421 A HA -0.231 4.092 4.320 0.005 0.000 0.220 421 A C 2.261 179.872 177.584 0.045 0.000 1.253 421 A CA 2.306 54.374 52.037 0.051 0.000 0.664 421 A CB -1.376 17.654 19.000 0.051 0.000 0.838 421 A HN 0.449 nan 8.150 nan 0.000 0.460 422 G N -0.888 107.936 108.800 0.039 0.000 2.462 422 G HA2 -0.186 3.777 3.960 0.005 0.000 0.220 422 G HA3 -0.186 3.777 3.960 0.005 0.000 0.220 422 G C 1.073 175.994 174.900 0.034 0.000 1.121 422 G CA 1.232 46.352 45.100 0.033 0.000 0.758 422 G HN 0.606 nan 8.290 nan 0.000 0.559 423 D N 0.021 120.445 120.400 0.039 0.000 1.889 423 D HA 0.095 4.738 4.640 0.005 0.000 0.278 423 D C 1.050 177.381 176.300 0.051 0.000 1.077 423 D CA -0.096 53.928 54.000 0.041 0.000 0.968 423 D CB -0.064 40.763 40.800 0.046 0.000 1.201 423 D HN 0.176 nan 8.370 nan 0.000 0.448 424 I N -0.331 120.280 120.570 0.069 0.000 8.587 424 I HA -0.252 3.921 4.170 0.005 0.000 0.126 424 I C -0.722 175.433 176.117 0.063 0.000 1.857 424 I CA 0.022 61.381 61.300 0.098 0.000 2.041 424 I CB -0.554 37.519 38.000 0.122 0.000 3.855 424 I HN 0.365 nan 8.210 nan 0.000 0.170 425 Q N 6.861 126.685 119.800 0.039 0.000 2.330 425 Q HA 0.698 5.041 4.340 0.005 0.000 0.269 425 Q C -0.547 175.371 176.000 -0.136 0.000 1.022 425 Q CA -0.991 54.788 55.803 -0.041 0.000 0.796 425 Q CB 2.497 31.197 28.738 -0.062 0.000 1.271 425 Q HN 0.569 nan 8.270 nan 0.000 0.450 426 L N 1.403 122.534 121.223 -0.153 0.000 2.476 426 L HA 0.185 4.528 4.340 0.005 0.000 0.264 426 L C 0.490 176.990 176.870 -0.616 0.000 1.224 426 L CA -0.154 54.513 54.840 -0.288 0.000 0.821 426 L CB 0.239 42.220 42.059 -0.130 0.000 1.101 426 L HN 0.460 nan 8.230 nan 0.000 0.488 427 Q N 1.009 120.192 119.800 -1.029 0.000 2.309 427 Q HA 0.295 4.638 4.340 0.005 0.000 0.270 427 Q C -1.360 174.357 176.000 -0.471 0.000 1.023 427 Q CA -0.813 54.413 55.803 -0.961 0.000 0.758 427 Q CB 1.838 29.484 28.738 -1.819 0.000 1.247 427 Q HN 0.306 nan 8.270 nan 0.000 0.455 428 Y N 0.807 120.910 120.300 -0.328 0.000 2.944 428 Y HA 0.015 4.568 4.550 0.006 0.000 0.340 428 Y C 1.656 177.485 175.900 -0.117 0.000 1.275 428 Y CA 2.297 60.286 58.100 -0.185 0.000 1.590 428 Y CB -0.017 38.347 38.460 -0.159 0.000 1.218 428 Y HN 0.996 nan 8.280 nan 0.000 0.576 429 G N 0.566 109.423 108.800 0.096 0.000 2.278 429 G HA2 -0.232 3.731 3.960 0.005 0.000 0.210 429 G HA3 -0.232 3.731 3.960 0.005 0.000 0.210 429 G C -0.148 174.922 174.900 0.282 0.000 1.000 429 G CA -0.557 44.635 45.100 0.154 0.000 0.635 429 G HN 0.472 nan 8.290 nan 0.000 0.495 430 W N 1.446 122.729 121.300 -0.029 0.000 2.161 430 W HA 0.743 5.405 4.660 0.002 0.000 0.344 430 W C 0.696 177.178 176.519 -0.060 0.000 1.262 430 W CA -0.670 56.649 57.345 -0.042 0.000 1.270 430 W CB 0.494 29.931 29.460 -0.039 0.000 1.126 430 W HN 0.002 nan 8.180 nan 0.000 0.598 431 K N 0.755 121.226 120.400 0.118 0.000 2.221 431 K HA 0.526 4.849 4.320 0.005 0.000 0.258 431 K C -1.116 175.497 176.600 0.022 0.000 0.944 431 K CA -0.682 55.617 56.287 0.020 0.000 0.823 431 K CB 1.736 34.205 32.500 -0.051 0.000 1.113 431 K HN 0.124 nan 8.250 nan 0.000 0.431 432 V N 3.443 123.365 119.914 0.013 0.000 2.313 432 V HA 0.110 4.234 4.120 0.005 0.000 0.262 432 V C -0.339 175.758 176.094 0.005 0.000 1.011 432 V CA -0.823 61.492 62.300 0.025 0.000 0.858 432 V CB 0.581 32.427 31.823 0.038 0.000 1.104 432 V HN 0.767 nan 8.190 nan 0.000 0.456 433 E N 4.214 124.426 120.200 0.019 0.000 2.905 433 E HA -0.055 4.298 4.350 0.005 0.000 0.240 433 E C 0.431 177.028 176.600 -0.005 0.000 0.990 433 E CA 0.444 56.866 56.400 0.038 0.000 0.954 433 E CB 0.478 30.267 29.700 0.147 0.000 0.908 433 E HN 0.765 nan 8.360 nan 0.000 0.532 434 R N 2.617 123.120 120.500 0.005 0.000 2.943 434 R HA 0.436 4.780 4.340 0.005 0.000 0.246 434 R C 0.070 176.344 176.300 -0.042 0.000 1.201 434 R CA -0.886 55.180 56.100 -0.057 0.000 1.056 434 R CB 0.763 31.079 30.300 0.026 0.000 1.243 434 R HN 0.351 nan 8.270 nan 0.000 0.498 435 H N 0.236 119.333 119.070 0.044 0.000 2.690 435 H HA 0.148 4.705 4.556 0.003 0.000 0.365 435 H C 0.393 175.789 175.328 0.113 0.000 1.142 435 H CA -0.247 55.839 56.048 0.063 0.000 1.417 435 H CB 0.657 30.409 29.762 -0.017 0.000 1.446 435 H HN 0.283 nan 8.280 nan 0.000 0.599 436 I N 2.816 123.563 120.570 0.295 0.000 2.710 436 I HA -0.053 4.120 4.170 0.005 0.000 0.286 436 I C 0.910 177.153 176.117 0.210 0.000 1.181 436 I CA 0.770 62.197 61.300 0.212 0.000 1.430 436 I CB -0.485 37.627 38.000 0.186 0.000 1.367 436 I HN 0.373 nan 8.210 nan 0.000 0.577 437 M N 3.339 123.020 119.600 0.135 0.000 2.690 437 M HA 0.314 4.797 4.480 0.005 0.000 0.302 437 M C -0.492 175.858 176.300 0.082 0.000 1.234 437 M CA -1.097 54.287 55.300 0.139 0.000 0.853 437 M CB 1.582 34.240 32.600 0.096 0.000 1.748 437 M HN 0.331 nan 8.290 nan 0.000 0.469 438 D N 2.546 122.996 120.400 0.083 0.000 2.554 438 D HA -0.002 4.641 4.640 0.005 0.000 0.251 438 D C -0.318 175.990 176.300 0.014 0.000 1.213 438 D CA 1.372 55.394 54.000 0.036 0.000 0.900 438 D CB -0.192 40.626 40.800 0.030 0.000 1.135 438 D HN 0.578 nan 8.370 nan 0.000 0.522 439 N N 1.649 120.348 118.700 -0.002 0.000 3.087 439 N HA -0.140 4.603 4.740 0.005 0.000 0.246 439 N C -1.492 173.997 175.510 -0.035 0.000 1.135 439 N CA 0.258 53.298 53.050 -0.015 0.000 0.733 439 N CB -0.711 37.768 38.487 -0.012 0.000 1.096 439 N HN 0.354 nan 8.380 nan 0.000 0.552 440 D N 1.097 121.473 120.400 -0.040 0.000 2.412 440 D HA 0.230 4.874 4.640 0.005 0.000 0.224 440 D C -2.153 174.104 176.300 -0.073 0.000 1.093 440 D CA -1.256 52.689 54.000 -0.092 0.000 0.850 440 D CB 1.039 41.780 40.800 -0.099 0.000 1.046 440 D HN 0.120 nan 8.370 nan 0.000 0.507 441 P HA -0.066 nan 4.420 nan 0.000 0.263 441 P C -0.391 176.891 177.300 -0.031 0.000 1.175 441 P CA -0.021 63.050 63.100 -0.048 0.000 0.761 441 P CB 0.751 32.417 31.700 -0.057 0.000 0.794 442 V N 1.083 121.002 119.914 0.009 0.000 3.114 442 V HA 0.458 4.581 4.120 0.005 0.000 0.308 442 V C -0.588 175.560 176.094 0.090 0.000 1.168 442 V CA -1.241 61.087 62.300 0.047 0.000 1.015 442 V CB 2.539 34.389 31.823 0.044 0.000 1.050 442 V HN 0.402 nan 8.190 nan 0.000 0.433 443 L N 2.874 124.178 121.223 0.135 0.000 2.264 443 L HA 0.581 4.924 4.340 0.005 0.000 0.289 443 L C -1.284 175.741 176.870 0.258 0.000 1.044 443 L CA -0.142 54.805 54.840 0.180 0.000 0.807 443 L CB 1.166 43.336 42.059 0.185 0.000 1.192 443 L HN 0.834 nan 8.230 nan 0.000 0.425 444 F N 6.400 126.410 119.950 0.101 0.000 2.507 444 F HA 0.563 5.093 4.527 0.005 0.000 0.327 444 F C -0.073 175.792 175.800 0.108 0.000 1.068 444 F CA -0.836 57.173 58.000 0.015 0.000 0.965 444 F CB 1.506 40.600 39.000 0.156 0.000 1.192 444 F HN 0.616 nan 8.300 nan 0.000 0.476 445 N N 3.336 121.784 118.700 -0.420 0.000 3.171 445 N HA 0.222 4.965 4.740 0.005 0.000 0.239 445 N C -2.249 173.052 175.510 -0.349 0.000 1.275 445 N CA -0.693 52.253 53.050 -0.172 0.000 0.920 445 N CB 1.977 40.493 38.487 0.049 0.000 1.554 445 N HN 0.848 nan 8.380 nan 0.000 0.504 446 R N 2.291 122.737 120.500 -0.090 0.000 2.473 446 R HA 0.299 4.642 4.340 0.005 0.000 0.303 446 R C -0.847 175.448 176.300 -0.008 0.000 1.002 446 R CA -0.345 55.695 56.100 -0.100 0.000 0.884 446 R CB 1.166 31.419 30.300 -0.077 0.000 1.173 446 R HN 0.587 nan 8.270 nan 0.000 0.464 447 Q N 4.130 123.914 119.800 -0.026 0.000 2.354 447 Q HA 0.291 4.635 4.340 0.005 0.000 0.244 447 Q C -1.953 174.040 176.000 -0.011 0.000 0.969 447 Q CA -1.792 54.006 55.803 -0.008 0.000 0.885 447 Q CB 0.643 29.378 28.738 -0.005 0.000 1.241 447 Q HN 0.478 nan 8.270 nan 0.000 0.461 448 P HA 0.023 nan 4.420 nan 0.000 0.271 448 P C -1.060 176.231 177.300 -0.016 0.000 1.226 448 P CA -0.131 62.959 63.100 -0.015 0.000 0.765 448 P CB 0.775 32.460 31.700 -0.024 0.000 0.835 449 S N 3.827 119.521 115.700 -0.009 0.000 2.411 449 S HA 0.224 4.697 4.470 0.005 0.000 0.304 449 S C 0.572 175.154 174.600 -0.031 0.000 1.098 449 S CA -0.492 57.706 58.200 -0.004 0.000 1.068 449 S CB -0.304 62.903 63.200 0.010 0.000 1.032 449 S HN 0.327 nan 8.310 nan 0.000 0.511 450 L N 1.473 122.662 121.223 -0.058 0.000 3.288 450 L HA 0.553 4.896 4.340 0.005 0.000 0.293 450 L C -0.087 176.706 176.870 -0.129 0.000 1.294 450 L CA -0.159 54.614 54.840 -0.111 0.000 1.006 450 L CB -1.108 40.854 42.059 -0.162 0.000 1.407 450 L HN 0.611 nan 8.230 nan 0.000 0.592 451 H N -1.239 117.775 119.070 -0.093 0.000 3.016 451 H HA 0.379 4.938 4.556 0.005 0.000 0.362 451 H C 0.228 175.488 175.328 -0.113 0.000 1.233 451 H CA -0.782 55.197 56.048 -0.113 0.000 1.124 451 H CB 2.544 32.230 29.762 -0.126 0.000 1.850 451 H HN -0.071 nan 8.280 nan 0.000 0.549 452 K N 1.212 121.614 120.400 0.004 0.000 2.026 452 K HA -0.121 4.202 4.320 0.005 0.000 0.208 452 K C 1.562 178.096 176.600 -0.111 0.000 1.048 452 K CA 1.781 58.024 56.287 -0.073 0.000 0.929 452 K CB -0.001 32.432 32.500 -0.112 0.000 0.713 452 K HN 0.474 nan 8.250 nan 0.000 0.439 453 M N 0.513 119.984 119.600 -0.216 0.000 2.346 453 M HA -0.124 4.359 4.480 0.005 0.000 0.263 453 M C 1.892 178.003 176.300 -0.315 0.000 1.064 453 M CA 1.182 56.286 55.300 -0.327 0.000 1.083 453 M CB -0.186 32.103 32.600 -0.519 0.000 1.399 453 M HN -0.104 nan 8.290 nan 0.000 0.435 454 S N -0.098 115.538 115.700 -0.106 0.000 2.528 454 S HA 0.053 4.526 4.470 0.005 0.000 0.244 454 S C 0.602 175.229 174.600 0.046 0.000 0.982 454 S CA 0.834 59.017 58.200 -0.028 0.000 0.953 454 S CB -0.263 62.967 63.200 0.050 0.000 0.754 454 S HN 0.422 nan 8.310 nan 0.000 0.529 455 M N 1.011 120.608 119.600 -0.006 0.000 2.124 455 M HA 0.435 4.918 4.480 0.005 0.000 0.280 455 M C -1.217 175.100 176.300 0.029 0.000 0.954 455 M CA 0.191 55.547 55.300 0.094 0.000 0.958 455 M CB 1.916 34.556 32.600 0.068 0.000 1.611 455 M HN 0.043 nan 8.290 nan 0.000 0.449 456 M N 1.707 121.375 119.600 0.113 0.000 2.572 456 M HA 0.746 5.230 4.480 0.005 0.000 0.299 456 M C -0.402 175.853 176.300 -0.075 0.000 1.205 456 M CA -0.806 54.462 55.300 -0.053 0.000 0.876 456 M CB 2.630 35.115 32.600 -0.192 0.000 1.728 456 M HN 0.720 nan 8.290 nan 0.000 0.458 457 A N 1.796 124.523 122.820 -0.155 0.000 2.320 457 A HA 0.577 4.900 4.320 0.005 0.000 0.287 457 A C -0.837 176.592 177.584 -0.259 0.000 1.181 457 A CA -0.315 51.653 52.037 -0.115 0.000 0.831 457 A CB 0.104 19.061 19.000 -0.071 0.000 1.102 457 A HN 0.831 nan 8.150 nan 0.000 0.513 458 H N 1.218 120.289 119.070 0.001 0.000 2.771 458 H HA 0.463 5.022 4.556 0.005 0.000 0.344 458 H C -0.395 174.892 175.328 -0.068 0.000 1.260 458 H CA -0.632 55.387 56.048 -0.049 0.000 1.276 458 H CB 1.321 31.002 29.762 -0.136 0.000 1.881 458 H HN 0.683 nan 8.280 nan 0.000 0.615 459 R N 0.499 121.047 120.500 0.080 0.000 2.312 459 R HA 0.336 4.679 4.340 0.005 0.000 0.311 459 R C -0.566 175.722 176.300 -0.019 0.000 1.004 459 R CA -0.723 55.384 56.100 0.011 0.000 0.902 459 R CB 1.566 31.868 30.300 0.003 0.000 1.073 459 R HN 0.158 nan 8.270 nan 0.000 0.457 460 V N 4.014 123.913 119.914 -0.024 0.000 2.555 460 V HA 0.085 4.208 4.120 0.005 0.000 0.286 460 V C 0.164 176.241 176.094 -0.029 0.000 1.044 460 V CA 0.362 62.642 62.300 -0.032 0.000 1.026 460 V CB 0.996 32.816 31.823 -0.004 0.000 0.981 460 V HN 0.497 nan 8.190 nan 0.000 0.480 461 K N 4.949 125.321 120.400 -0.047 0.000 2.604 461 K HA 0.360 4.683 4.320 0.005 0.000 0.247 461 K C -1.075 175.491 176.600 -0.057 0.000 0.956 461 K CA -0.503 55.757 56.287 -0.044 0.000 0.896 461 K CB 1.694 34.161 32.500 -0.055 0.000 1.131 461 K HN 0.456 nan 8.250 nan 0.000 0.440 462 V N 5.791 125.668 119.914 -0.063 0.000 2.521 462 V HA 0.333 4.456 4.120 0.005 0.000 0.286 462 V C 0.895 176.910 176.094 -0.133 0.000 1.034 462 V CA -0.428 61.792 62.300 -0.132 0.000 1.045 462 V CB -0.376 31.295 31.823 -0.253 0.000 0.974 462 V HN 0.614 nan 8.190 nan 0.000 0.480 463 I N 2.737 123.231 120.570 -0.127 0.000 3.239 463 I HA 0.808 4.982 4.170 0.005 0.000 0.314 463 I C -2.598 173.458 176.117 -0.102 0.000 1.126 463 I CA -2.608 58.639 61.300 -0.088 0.000 0.973 463 I CB 2.465 40.438 38.000 -0.045 0.000 1.252 463 I HN 0.380 nan 8.210 nan 0.000 0.463 464 P HA 0.308 nan 4.420 nan 0.000 0.312 464 P C -1.199 176.090 177.300 -0.018 0.000 1.308 464 P CA -0.006 63.016 63.100 -0.130 0.000 0.743 464 P CB 0.354 31.941 31.700 -0.189 0.000 1.364 465 Y N -2.854 117.385 120.300 -0.102 0.000 2.505 465 Y HA -0.216 4.339 4.550 0.008 0.000 0.077 465 Y C 1.367 177.189 175.900 -0.131 0.000 1.700 465 Y CA 0.763 58.801 58.100 -0.103 0.000 1.420 465 Y CB -2.054 36.351 38.460 -0.092 0.000 2.065 465 Y HN 0.216 nan 8.280 nan 0.000 0.254 466 S N 0.118 115.839 115.700 0.036 0.000 2.859 466 S HA 0.211 4.684 4.470 0.005 0.000 0.245 466 S C 0.099 174.609 174.600 -0.150 0.000 1.008 466 S CA 0.367 58.517 58.200 -0.083 0.000 1.089 466 S CB -0.612 62.544 63.200 -0.073 0.000 0.798 466 S HN 0.654 nan 8.310 nan 0.000 0.477 467 T N -1.240 113.232 114.554 -0.138 0.000 2.900 467 T HA 0.614 4.967 4.350 0.005 0.000 0.295 467 T C -0.423 174.180 174.700 -0.161 0.000 1.044 467 T CA -0.812 61.182 62.100 -0.176 0.000 0.995 467 T CB 0.633 69.442 68.868 -0.099 0.000 1.072 467 T HN 0.099 nan 8.240 nan 0.000 0.473 468 F N 2.153 122.095 119.950 -0.013 0.000 2.533 468 F HA 0.264 4.795 4.527 0.006 0.000 0.378 468 F C 1.530 177.287 175.800 -0.072 0.000 1.070 468 F CA -0.523 57.462 58.000 -0.025 0.000 1.172 468 F CB 0.491 39.596 39.000 0.174 0.000 1.085 468 F HN 0.239 nan 8.300 nan 0.000 0.552 469 R N 6.061 126.578 120.500 0.028 0.000 2.215 469 R HA 0.430 4.773 4.340 0.005 0.000 0.337 469 R C -0.725 175.510 176.300 -0.108 0.000 1.010 469 R CA -0.768 55.287 56.100 -0.075 0.000 0.871 469 R CB 0.915 31.155 30.300 -0.100 0.000 1.134 469 R HN 0.603 nan 8.270 nan 0.000 0.477 470 L N -0.193 120.996 121.223 -0.058 0.000 2.352 470 L HA 0.558 4.901 4.340 0.005 0.000 0.269 470 L C 0.178 177.063 176.870 0.024 0.000 1.034 470 L CA -1.115 53.690 54.840 -0.058 0.000 0.806 470 L CB 1.022 43.131 42.059 0.084 0.000 1.244 470 L HN 0.331 nan 8.230 nan 0.000 0.447 471 N N 1.275 119.989 118.700 0.024 0.000 2.482 471 N HA 0.128 4.871 4.740 0.005 0.000 0.260 471 N C 0.576 176.173 175.510 0.146 0.000 1.236 471 N CA -0.016 53.076 53.050 0.071 0.000 0.938 471 N CB 1.285 39.803 38.487 0.051 0.000 1.128 471 N HN 0.931 nan 8.380 nan 0.000 0.448 472 L N 1.705 123.023 121.223 0.158 0.000 2.005 472 L HA -0.143 4.200 4.340 0.005 0.000 0.207 472 L C 2.263 179.217 176.870 0.139 0.000 1.072 472 L CA 1.022 55.977 54.840 0.191 0.000 0.744 472 L CB -0.413 41.754 42.059 0.180 0.000 0.895 472 L HN 0.568 nan 8.230 nan 0.000 0.433 473 S N -1.054 114.708 115.700 0.103 0.000 2.440 473 S HA -0.156 4.317 4.470 0.005 0.000 0.238 473 S C 1.378 175.969 174.600 -0.015 0.000 1.010 473 S CA 0.913 59.145 58.200 0.053 0.000 0.972 473 S CB -0.135 63.083 63.200 0.030 0.000 0.774 473 S HN 0.281 nan 8.310 nan 0.000 0.501 474 V N 1.510 121.448 119.914 0.040 0.000 3.337 474 V HA 0.124 4.247 4.120 0.005 0.000 0.343 474 V C 1.599 177.854 176.094 0.268 0.000 1.302 474 V CA 0.637 63.008 62.300 0.118 0.000 1.268 474 V CB -0.416 31.564 31.823 0.261 0.000 1.185 474 V HN 0.456 nan 8.190 nan 0.000 0.447 475 T N 0.127 114.784 114.554 0.172 0.000 2.781 475 T HA -0.108 4.245 4.350 0.005 0.000 0.252 475 T C 2.101 176.870 174.700 0.114 0.000 1.039 475 T CA 1.852 64.048 62.100 0.159 0.000 1.147 475 T CB -0.103 68.796 68.868 0.053 0.000 0.865 475 T HN 0.768 nan 8.240 nan 0.000 0.423 476 S N 1.734 117.465 115.700 0.051 0.000 2.465 476 S HA -0.023 4.450 4.470 0.005 0.000 0.241 476 S C -0.907 173.698 174.600 0.009 0.000 1.000 476 S CA 0.743 58.959 58.200 0.025 0.000 0.964 476 S CB -1.481 61.730 63.200 0.018 0.000 0.763 476 S HN 0.482 nan 8.310 nan 0.000 0.512 477 P HA 0.073 nan 4.420 nan 0.000 0.217 477 P C 0.841 178.054 177.300 -0.146 0.000 1.154 477 P CA 0.772 63.770 63.100 -0.170 0.000 0.841 477 P CB -0.133 31.363 31.700 -0.338 0.000 0.790 478 Y N -1.307 119.001 120.300 0.014 0.000 2.314 478 Y HA -0.014 4.540 4.550 0.006 0.000 0.293 478 Y C 0.867 176.762 175.900 -0.008 0.000 1.129 478 Y CA 0.829 58.929 58.100 0.000 0.000 1.201 478 Y CB -0.423 38.019 38.460 -0.030 0.000 0.999 478 Y HN -0.022 nan 8.280 nan 0.000 0.541 479 N N 0.138 118.915 118.700 0.127 0.000 2.744 479 N HA -0.140 4.603 4.740 0.005 0.000 0.263 479 N C -1.315 174.206 175.510 0.019 0.000 1.150 479 N CA 0.580 53.659 53.050 0.047 0.000 0.668 479 N CB -1.071 37.432 38.487 0.027 0.000 0.908 479 N HN 0.337 nan 8.380 nan 0.000 0.562 480 A N 1.749 124.558 122.820 -0.017 0.000 2.498 480 A HA 0.745 5.069 4.320 0.005 0.000 0.298 480 A C -0.740 176.672 177.584 -0.287 0.000 1.075 480 A CA -0.157 51.816 52.037 -0.107 0.000 0.714 480 A CB 1.398 20.353 19.000 -0.075 0.000 1.299 480 A HN 0.597 nan 8.150 nan 0.000 0.407 481 D N -1.079 119.120 120.400 -0.335 0.000 2.533 481 D HA 0.602 5.245 4.640 0.005 0.000 0.247 481 D C -0.531 175.481 176.300 -0.480 0.000 1.056 481 D CA -0.543 53.161 54.000 -0.492 0.000 1.054 481 D CB 0.660 41.331 40.800 -0.214 0.000 1.400 481 D HN 0.270 nan 8.370 nan 0.000 0.533 482 F N -0.701 119.258 119.950 0.016 0.000 2.639 482 F HA 0.134 4.664 4.527 0.006 0.000 0.302 482 F C 0.890 176.694 175.800 0.007 0.000 1.097 482 F CA -0.747 57.261 58.000 0.013 0.000 1.294 482 F CB 0.283 39.292 39.000 0.014 0.000 1.027 482 F HN 0.255 nan 8.300 nan 0.000 0.550 483 D N 0.375 120.837 120.400 0.104 0.000 2.423 483 D HA 0.039 4.683 4.640 0.005 0.000 0.263 483 D C 1.529 177.866 176.300 0.061 0.000 1.255 483 D CA 0.830 54.870 54.000 0.067 0.000 0.965 483 D CB -0.556 40.259 40.800 0.024 0.000 0.933 483 D HN 0.391 nan 8.370 nan 0.000 0.507 484 G N -0.275 108.579 108.800 0.090 0.000 2.141 484 G HA2 -0.200 3.763 3.960 0.005 0.000 0.164 484 G HA3 -0.200 3.763 3.960 0.005 0.000 0.164 484 G C -0.655 174.281 174.900 0.061 0.000 1.009 484 G CA -0.416 44.723 45.100 0.065 0.000 0.677 484 G HN 0.356 nan 8.290 nan 0.000 0.508 485 D N 1.022 121.471 120.400 0.082 0.000 2.345 485 D HA 0.491 5.134 4.640 0.005 0.000 0.247 485 D C 0.681 177.026 176.300 0.075 0.000 1.108 485 D CA 0.403 54.438 54.000 0.058 0.000 0.894 485 D CB 0.952 41.776 40.800 0.039 0.000 1.203 485 D HN 0.496 nan 8.370 nan 0.000 0.430 486 E N 1.178 121.402 120.200 0.041 0.000 2.222 486 E HA 0.587 4.940 4.350 0.005 0.000 0.267 486 E C -0.254 176.338 176.600 -0.013 0.000 0.963 486 E CA -0.746 55.685 56.400 0.051 0.000 0.837 486 E CB 1.923 31.649 29.700 0.044 0.000 1.183 486 E HN 0.266 nan 8.360 nan 0.000 0.403 487 M N 1.570 121.164 119.600 -0.010 0.000 2.484 487 M HA 0.347 4.830 4.480 0.005 0.000 0.289 487 M C -1.239 174.905 176.300 -0.260 0.000 1.206 487 M CA -0.979 54.159 55.300 -0.269 0.000 0.892 487 M CB 2.220 34.432 32.600 -0.646 0.000 1.712 487 M HN 0.376 nan 8.290 nan 0.000 0.462 488 N N 1.761 120.233 118.700 -0.380 0.000 2.487 488 N HA 0.694 5.437 4.740 0.005 0.000 0.292 488 N C -1.485 173.764 175.510 -0.435 0.000 1.108 488 N CA -0.475 52.380 53.050 -0.325 0.000 0.956 488 N CB 1.768 40.096 38.487 -0.265 0.000 1.176 488 N HN 0.448 nan 8.380 nan 0.000 0.484 489 L N 2.014 123.011 121.223 -0.376 0.000 2.385 489 L HA 0.413 4.756 4.340 0.005 0.000 0.273 489 L C -1.234 175.453 176.870 -0.305 0.000 0.990 489 L CA -0.469 54.225 54.840 -0.244 0.000 0.821 489 L CB 1.095 43.044 42.059 -0.182 0.000 1.279 489 L HN 0.506 nan 8.230 nan 0.000 0.412 490 H N 4.021 123.152 119.070 0.102 0.000 2.538 490 H HA 0.578 5.137 4.556 0.005 0.000 0.353 490 H C -1.061 174.337 175.328 0.117 0.000 1.109 490 H CA -0.610 55.507 56.048 0.115 0.000 1.192 490 H CB 2.371 32.184 29.762 0.086 0.000 1.555 490 H HN 0.354 nan 8.280 nan 0.000 0.518 491 V N 6.256 126.335 119.914 0.276 0.000 2.370 491 V HA 0.178 4.301 4.120 0.005 0.000 0.283 491 V C -1.653 174.516 176.094 0.125 0.000 1.023 491 V CA -1.492 60.927 62.300 0.198 0.000 0.857 491 V CB 1.596 33.579 31.823 0.267 0.000 0.985 491 V HN 0.660 nan 8.190 nan 0.000 0.443 492 P HA 0.018 nan 4.420 nan 0.000 0.273 492 P C -0.460 176.882 177.300 0.069 0.000 1.252 492 P CA 0.255 63.377 63.100 0.036 0.000 0.809 492 P CB 1.327 33.031 31.700 0.006 0.000 1.017 493 Q N -1.706 118.142 119.800 0.079 0.000 2.181 493 Q HA 0.172 4.515 4.340 0.005 0.000 0.244 493 Q C 0.278 176.333 176.000 0.091 0.000 0.745 493 Q CA 0.216 56.047 55.803 0.046 0.000 0.934 493 Q CB 0.343 28.942 28.738 -0.231 0.000 1.220 493 Q HN 0.454 nan 8.270 nan 0.000 0.478 494 S N -0.222 115.538 115.700 0.099 0.000 2.472 494 S HA 0.286 4.760 4.470 0.005 0.000 0.303 494 S C 0.607 175.289 174.600 0.138 0.000 1.099 494 S CA -0.348 57.895 58.200 0.072 0.000 1.077 494 S CB 1.380 64.588 63.200 0.013 0.000 1.031 494 S HN 0.220 nan 8.310 nan 0.000 0.487 495 E N 2.801 123.090 120.200 0.148 0.000 2.197 495 E HA -0.257 4.096 4.350 0.005 0.000 0.205 495 E C 1.565 178.213 176.600 0.079 0.000 1.029 495 E CA 2.570 59.054 56.400 0.140 0.000 0.828 495 E CB -0.075 29.691 29.700 0.110 0.000 0.737 495 E HN 0.877 nan 8.360 nan 0.000 0.464 496 E N -2.078 118.156 120.200 0.058 0.000 2.371 496 E HA -0.034 4.319 4.350 0.005 0.000 0.194 496 E C 1.848 178.463 176.600 0.025 0.000 1.012 496 E CA 1.141 57.564 56.400 0.038 0.000 0.860 496 E CB -0.199 29.519 29.700 0.031 0.000 0.811 496 E HN 0.027 nan 8.360 nan 0.000 0.502 497 T N 1.175 115.746 114.554 0.029 0.000 2.770 497 T HA -0.069 4.285 4.350 0.005 0.000 0.263 497 T C 1.728 176.432 174.700 0.006 0.000 1.039 497 T CA 1.396 63.504 62.100 0.013 0.000 1.142 497 T CB -0.101 68.776 68.868 0.014 0.000 0.868 497 T HN 0.239 nan 8.240 nan 0.000 0.435 498 R N 1.773 122.279 120.500 0.009 0.000 2.115 498 R HA -0.131 4.212 4.340 0.005 0.000 0.239 498 R C 2.728 179.018 176.300 -0.016 0.000 1.133 498 R CA 1.584 57.672 56.100 -0.021 0.000 0.935 498 R CB -1.042 29.228 30.300 -0.050 0.000 0.853 498 R HN 0.351 nan 8.270 nan 0.000 0.433 499 A N 1.703 124.522 122.820 -0.002 0.000 1.896 499 A HA -0.300 4.023 4.320 0.005 0.000 0.220 499 A C 2.128 179.709 177.584 -0.006 0.000 1.206 499 A CA 2.065 54.102 52.037 -0.001 0.000 0.647 499 A CB -0.717 18.291 19.000 0.014 0.000 0.828 499 A HN 0.513 nan 8.150 nan 0.000 0.455 500 E N -0.837 119.360 120.200 -0.005 0.000 2.209 500 E HA -0.168 4.186 4.350 0.005 0.000 0.196 500 E C 1.914 178.500 176.600 -0.023 0.000 0.993 500 E CA 1.089 57.481 56.400 -0.013 0.000 0.819 500 E CB -0.182 29.508 29.700 -0.016 0.000 0.745 500 E HN 0.707 nan 8.360 nan 0.000 0.477 501 L N -0.047 121.163 121.223 -0.022 0.000 2.062 501 L HA -0.124 4.219 4.340 0.005 0.000 0.202 501 L C 2.694 179.541 176.870 -0.037 0.000 1.079 501 L CA 1.149 55.973 54.840 -0.027 0.000 0.755 501 L CB -0.538 41.510 42.059 -0.019 0.000 0.913 501 L HN 0.133 nan 8.230 nan 0.000 0.445 502 S N -0.791 114.888 115.700 -0.034 0.000 2.419 502 S HA -0.206 4.268 4.470 0.005 0.000 0.235 502 S C 1.752 176.330 174.600 -0.036 0.000 1.019 502 S CA 0.996 59.174 58.200 -0.037 0.000 0.982 502 S CB -0.280 62.901 63.200 -0.031 0.000 0.789 502 S HN 0.412 nan 8.310 nan 0.000 0.490 503 Q N -0.097 119.685 119.800 -0.031 0.000 2.356 503 Q HA 0.405 4.748 4.340 0.005 0.000 0.205 503 Q C 1.014 176.987 176.000 -0.044 0.000 0.901 503 Q CA 0.374 56.158 55.803 -0.032 0.000 0.938 503 Q CB 0.265 28.991 28.738 -0.019 0.000 1.081 503 Q HN 0.561 nan 8.270 nan 0.000 0.517 504 L N -2.453 118.740 121.223 -0.050 0.000 3.066 504 L HA 0.138 4.481 4.340 0.005 0.000 0.272 504 L C 1.376 178.203 176.870 -0.071 0.000 1.101 504 L CA 0.415 55.218 54.840 -0.062 0.000 1.022 504 L CB 0.298 42.322 42.059 -0.058 0.000 1.600 504 L HN -0.019 nan 8.230 nan 0.000 0.559 505 C N 0.424 119.683 119.300 -0.067 0.000 2.926 505 C HA 0.604 5.068 4.460 0.005 0.000 0.272 505 C C 1.474 176.400 174.990 -0.106 0.000 1.249 505 C CA -0.806 58.164 59.018 -0.080 0.000 1.691 505 C CB -0.698 27.007 27.740 -0.059 0.000 1.983 505 C HN 0.355 nan 8.230 nan 0.000 0.615 506 A N 1.330 124.092 122.820 -0.098 0.000 2.566 506 A HA 0.296 4.619 4.320 0.005 0.000 0.245 506 A C 1.455 178.953 177.584 -0.143 0.000 1.056 506 A CA 0.337 52.303 52.037 -0.118 0.000 0.757 506 A CB 0.243 19.195 19.000 -0.080 0.000 0.979 506 A HN 0.292 nan 8.150 nan 0.000 0.508 507 V N 4.342 124.133 119.914 -0.205 0.000 2.313 507 V HA -0.247 3.876 4.120 0.005 0.000 0.253 507 V C -0.249 175.763 176.094 -0.136 0.000 1.070 507 V CA 2.823 65.005 62.300 -0.197 0.000 1.057 507 V CB -1.569 30.132 31.823 -0.203 0.000 0.653 507 V HN 0.825 nan 8.190 nan 0.000 0.450 508 P HA -0.153 nan 4.420 nan 0.000 0.217 508 P C 1.857 179.123 177.300 -0.056 0.000 1.148 508 P CA 1.406 64.471 63.100 -0.058 0.000 0.828 508 P CB -0.048 31.634 31.700 -0.031 0.000 0.783 509 L N -1.214 119.966 121.223 -0.073 0.000 2.109 509 L HA -0.150 4.193 4.340 0.005 0.000 0.207 509 L C 2.254 179.071 176.870 -0.089 0.000 1.086 509 L CA 1.174 55.971 54.840 -0.072 0.000 0.760 509 L CB -0.792 41.222 42.059 -0.076 0.000 0.910 509 L HN -0.089 nan 8.230 nan 0.000 0.437 510 Q N -0.129 119.601 119.800 -0.117 0.000 2.488 510 Q HA -0.048 4.295 4.340 0.005 0.000 0.211 510 Q C 2.130 178.051 176.000 -0.130 0.000 0.967 510 Q CA 0.820 56.537 55.803 -0.142 0.000 0.926 510 Q CB -0.256 28.367 28.738 -0.192 0.000 0.992 510 Q HN 0.562 nan 8.270 nan 0.000 0.506 511 I N -0.395 120.119 120.570 -0.092 0.000 2.143 511 I HA -0.243 3.930 4.170 0.005 0.000 0.245 511 I C 0.728 176.823 176.117 -0.037 0.000 1.068 511 I CA 1.045 62.318 61.300 -0.045 0.000 1.326 511 I CB -0.120 37.899 38.000 0.032 0.000 1.028 511 I HN -0.078 nan 8.210 nan 0.000 0.412 512 V N 1.060 120.946 119.914 -0.047 0.000 2.370 512 V HA 0.183 4.306 4.120 0.005 0.000 0.279 512 V C 0.072 176.111 176.094 -0.091 0.000 1.029 512 V CA -0.237 62.026 62.300 -0.060 0.000 0.870 512 V CB 1.498 33.308 31.823 -0.022 0.000 0.984 512 V HN 0.245 nan 8.190 nan 0.000 0.451 513 S N 7.639 123.275 115.700 -0.107 0.000 2.462 513 S HA 0.503 4.977 4.470 0.005 0.000 0.294 513 S C -1.252 173.313 174.600 -0.057 0.000 1.144 513 S CA -1.482 56.656 58.200 -0.103 0.000 1.088 513 S CB 1.825 64.939 63.200 -0.143 0.000 1.009 513 S HN 0.626 nan 8.310 nan 0.000 0.484 514 P HA -0.120 nan 4.420 nan 0.000 0.225 514 P C 1.077 178.489 177.300 0.186 0.000 1.156 514 P CA 0.777 63.929 63.100 0.088 0.000 0.787 514 P CB -0.023 31.750 31.700 0.122 0.000 0.802 515 Q N 1.438 121.274 119.800 0.061 0.000 2.439 515 Q HA -0.071 4.272 4.340 0.005 0.000 0.211 515 Q C 0.701 176.707 176.000 0.009 0.000 0.978 515 Q CA 1.764 57.576 55.803 0.014 0.000 0.897 515 Q CB -0.565 28.130 28.738 -0.071 0.000 0.956 515 Q HN 0.230 nan 8.270 nan 0.000 0.483 516 S N -0.709 114.946 115.700 -0.075 0.000 2.779 516 S HA 0.108 4.582 4.470 0.005 0.000 0.235 516 S C -0.458 174.012 174.600 -0.217 0.000 0.764 516 S CA -0.360 57.667 58.200 -0.288 0.000 1.050 516 S CB -1.288 61.749 63.200 -0.272 0.000 1.485 516 S HN 0.601 nan 8.310 nan 0.000 0.485 517 N N 1.822 120.465 118.700 -0.095 0.000 2.691 517 N HA -0.313 4.431 4.740 0.005 0.000 0.257 517 N C -0.395 175.065 175.510 -0.085 0.000 0.966 517 N CA 1.884 54.920 53.050 -0.023 0.000 0.810 517 N CB -1.551 36.973 38.487 0.062 0.000 0.932 517 N HN 0.988 nan 8.380 nan 0.000 0.546 518 K N -2.288 117.998 120.400 -0.190 0.000 2.527 518 K HA 0.519 4.842 4.320 0.005 0.000 0.260 518 K C -3.205 173.216 176.600 -0.298 0.000 0.937 518 K CA -2.093 53.956 56.287 -0.396 0.000 0.826 518 K CB 2.612 34.977 32.500 -0.224 0.000 1.359 518 K HN -0.128 nan 8.250 nan 0.000 0.434 519 P HA -0.100 nan 4.420 nan 0.000 0.269 519 P C 0.561 177.809 177.300 -0.087 0.000 1.205 519 P CA -0.156 62.869 63.100 -0.126 0.000 0.780 519 P CB 0.405 32.081 31.700 -0.040 0.000 0.858 520 C N 0.267 119.529 119.300 -0.064 0.000 3.255 520 C HA 0.569 5.032 4.460 0.005 0.000 0.282 520 C C 0.294 175.256 174.990 -0.046 0.000 1.441 520 C CA -0.521 58.453 59.018 -0.074 0.000 1.785 520 C CB -1.212 26.441 27.740 -0.146 0.000 2.583 520 C HN 0.386 nan 8.230 nan 0.000 0.615 521 M N 0.867 120.476 119.600 0.016 0.000 2.501 521 M HA 0.648 5.132 4.480 0.005 0.000 0.293 521 M C 0.319 176.759 176.300 0.235 0.000 1.192 521 M CA 0.234 55.564 55.300 0.049 0.000 0.886 521 M CB 2.340 34.885 32.600 -0.092 0.000 1.710 521 M HN 0.333 nan 8.290 nan 0.000 0.457 522 G N 2.026 110.986 108.800 0.267 0.000 3.366 522 G HA2 0.798 4.761 3.960 0.005 0.000 0.179 522 G HA3 0.798 4.761 3.960 0.005 0.000 0.179 522 G C -1.161 173.943 174.900 0.340 0.000 1.143 522 G CA -0.411 44.871 45.100 0.304 0.000 0.810 522 G HN 0.574 nan 8.290 nan 0.000 0.697 523 I N 0.820 121.485 120.570 0.159 0.000 2.607 523 I HA 0.493 4.666 4.170 0.005 0.000 0.290 523 I C -0.686 175.479 176.117 0.080 0.000 1.129 523 I CA -0.680 60.698 61.300 0.130 0.000 1.042 523 I CB 2.208 40.240 38.000 0.052 0.000 1.242 523 I HN 0.186 nan 8.210 nan 0.000 0.421 524 V N 4.052 124.015 119.914 0.082 0.000 3.145 524 V HA 0.538 4.661 4.120 0.005 0.000 0.311 524 V C 0.136 176.258 176.094 0.046 0.000 1.238 524 V CA -0.642 61.691 62.300 0.054 0.000 1.066 524 V CB 1.431 33.287 31.823 0.054 0.000 1.144 524 V HN 0.882 nan 8.190 nan 0.000 0.465 525 Q N -0.050 119.771 119.800 0.036 0.000 1.715 525 Q HA -0.337 4.006 4.340 0.005 0.000 0.433 525 Q C 1.086 177.091 176.000 0.008 0.000 0.895 525 Q CA 1.963 57.786 55.803 0.033 0.000 0.712 525 Q CB -1.550 27.225 28.738 0.061 0.000 4.301 525 Q HN 0.968 nan 8.270 nan 0.000 0.726 526 D N 0.481 120.894 120.400 0.022 0.000 2.421 526 D HA -0.192 4.452 4.640 0.005 0.000 0.195 526 D C 1.938 178.234 176.300 -0.006 0.000 1.022 526 D CA 2.904 56.905 54.000 0.003 0.000 0.871 526 D CB -0.912 39.913 40.800 0.040 0.000 1.026 526 D HN 0.671 nan 8.370 nan 0.000 0.462 527 T N 0.523 115.094 114.554 0.027 0.000 2.684 527 T HA -0.250 4.103 4.350 0.005 0.000 0.267 527 T C 1.758 176.452 174.700 -0.009 0.000 1.032 527 T CA 1.567 63.682 62.100 0.025 0.000 1.155 527 T CB -0.435 68.467 68.868 0.056 0.000 0.857 527 T HN 0.062 nan 8.240 nan 0.000 0.457 528 L N 0.824 122.039 121.223 -0.013 0.000 2.022 528 L HA 0.141 4.485 4.340 0.005 0.000 0.204 528 L C 2.759 179.585 176.870 -0.073 0.000 1.076 528 L CA 1.383 56.202 54.840 -0.035 0.000 0.749 528 L CB -1.562 40.486 42.059 -0.017 0.000 0.903 528 L HN 0.439 nan 8.230 nan 0.000 0.439 529 C N 0.554 119.793 119.300 -0.101 0.000 2.385 529 C HA -0.184 4.279 4.460 0.005 0.000 0.275 529 C C 2.819 177.695 174.990 -0.190 0.000 1.207 529 C CA 1.299 60.202 59.018 -0.192 0.000 1.760 529 C CB -1.707 25.837 27.740 -0.326 0.000 2.051 529 C HN 0.742 nan 8.230 nan 0.000 0.467 530 G N -0.339 108.386 108.800 -0.125 0.000 2.402 530 G HA2 -0.169 3.794 3.960 0.005 0.000 0.216 530 G HA3 -0.169 3.794 3.960 0.005 0.000 0.216 530 G C 1.598 176.442 174.900 -0.094 0.000 1.162 530 G CA 0.835 45.923 45.100 -0.019 0.000 0.777 530 G HN 0.652 nan 8.290 nan 0.000 0.539 531 I N 0.479 120.983 120.570 -0.111 0.000 2.657 531 I HA -0.128 4.045 4.170 0.005 0.000 0.261 531 I C 2.700 178.706 176.117 -0.185 0.000 1.212 531 I CA 1.187 62.389 61.300 -0.163 0.000 1.453 531 I CB -0.027 37.902 38.000 -0.118 0.000 1.092 531 I HN 0.231 nan 8.210 nan 0.000 0.452 532 R N 0.924 121.337 120.500 -0.146 0.000 2.052 532 R HA -0.115 4.228 4.340 0.005 0.000 0.224 532 R C 2.243 178.456 176.300 -0.144 0.000 1.149 532 R CA 0.990 57.014 56.100 -0.126 0.000 0.962 532 R CB -0.213 30.035 30.300 -0.086 0.000 0.856 532 R HN 0.179 nan 8.270 nan 0.000 0.433 533 K N 0.798 121.130 120.400 -0.114 0.000 2.001 533 K HA -0.206 4.117 4.320 0.005 0.000 0.214 533 K C 2.118 178.559 176.600 -0.265 0.000 1.050 533 K CA 1.797 58.051 56.287 -0.054 0.000 0.934 533 K CB -0.579 32.007 32.500 0.144 0.000 0.718 533 K HN 0.171 nan 8.250 nan 0.000 0.443 534 L N 1.603 122.400 121.223 -0.710 0.000 2.357 534 L HA -0.214 4.129 4.340 0.005 0.000 0.220 534 L C 1.903 178.410 176.870 -0.606 0.000 1.123 534 L CA 1.713 55.813 54.840 -1.232 0.000 0.782 534 L CB -0.427 40.768 42.059 -1.439 0.000 0.910 534 L HN 0.156 nan 8.230 nan 0.000 0.442 535 T N -0.527 113.807 114.554 -0.367 0.000 2.739 535 T HA 0.086 4.439 4.350 0.005 0.000 0.249 535 T C 0.682 175.272 174.700 -0.184 0.000 1.050 535 T CA 0.186 62.139 62.100 -0.245 0.000 1.165 535 T CB -0.255 68.506 68.868 -0.178 0.000 0.872 535 T HN 0.183 nan 8.240 nan 0.000 0.411 536 L N 2.455 123.605 121.223 -0.122 0.000 4.459 536 L HA -0.256 4.088 4.340 0.005 0.000 0.554 536 L C 1.729 178.555 176.870 -0.072 0.000 1.098 536 L CA 0.055 54.857 54.840 -0.064 0.000 0.521 536 L CB 0.118 42.168 42.059 -0.015 0.000 0.599 536 L HN 0.310 nan 8.230 nan 0.000 1.090 537 R N 2.009 122.486 120.500 -0.039 0.000 2.113 537 R HA -0.251 4.092 4.340 0.005 0.000 0.244 537 R C 1.574 177.895 176.300 0.035 0.000 1.142 537 R CA 2.102 58.182 56.100 -0.033 0.000 0.953 537 R CB -0.315 30.004 30.300 0.031 0.000 0.860 537 R HN 0.730 nan 8.270 nan 0.000 0.438 538 D N 0.159 120.626 120.400 0.110 0.000 2.265 538 D HA -0.081 4.562 4.640 0.005 0.000 0.208 538 D C -0.175 176.305 176.300 0.300 0.000 0.977 538 D CA 0.911 55.042 54.000 0.218 0.000 0.871 538 D CB 0.054 40.937 40.800 0.138 0.000 0.925 538 D HN 0.032 nan 8.370 nan 0.000 0.485 539 T N 0.599 115.227 114.554 0.123 0.000 2.728 539 T HA 0.329 4.683 4.350 0.005 0.000 0.296 539 T C -0.573 174.123 174.700 -0.008 0.000 0.940 539 T CA -0.313 61.870 62.100 0.138 0.000 1.013 539 T CB 0.198 69.102 68.868 0.059 0.000 0.912 539 T HN -0.151 nan 8.240 nan 0.000 0.484 540 F N 2.784 122.803 119.950 0.116 0.000 2.546 540 F HA 0.652 5.182 4.527 0.005 0.000 0.320 540 F C 0.170 176.086 175.800 0.193 0.000 1.076 540 F CA -1.340 56.739 58.000 0.132 0.000 0.928 540 F CB 1.348 40.407 39.000 0.098 0.000 1.189 540 F HN 0.322 nan 8.300 nan 0.000 0.465 541 I N 1.914 122.723 120.570 0.398 0.000 2.509 541 I HA 0.353 4.526 4.170 0.005 0.000 0.293 541 I C -0.712 175.675 176.117 0.449 0.000 1.020 541 I CA -0.843 60.675 61.300 0.364 0.000 1.088 541 I CB 2.116 40.289 38.000 0.289 0.000 1.267 541 I HN 0.618 nan 8.210 nan 0.000 0.430 542 E N 5.253 125.657 120.200 0.340 0.000 2.214 542 E HA 0.247 4.601 4.350 0.005 0.000 0.274 542 E C 0.617 177.367 176.600 0.249 0.000 0.977 542 E CA -0.792 55.836 56.400 0.379 0.000 0.827 542 E CB 2.111 31.959 29.700 0.247 0.000 1.130 542 E HN 0.422 nan 8.360 nan 0.000 0.394 543 L N 3.003 124.433 121.223 0.346 0.000 2.199 543 L HA -0.423 3.921 4.340 0.005 0.000 0.248 543 L C 2.012 178.843 176.870 -0.066 0.000 1.116 543 L CA 3.104 57.961 54.840 0.027 0.000 0.843 543 L CB -1.078 41.106 42.059 0.208 0.000 0.961 543 L HN 1.031 nan 8.230 nan 0.000 0.441 544 D N -1.316 119.102 120.400 0.029 0.000 2.345 544 D HA -0.355 4.288 4.640 0.005 0.000 0.190 544 D C 1.890 178.202 176.300 0.021 0.000 1.024 544 D CA 2.595 56.611 54.000 0.027 0.000 0.893 544 D CB -0.623 40.210 40.800 0.055 0.000 0.907 544 D HN 0.803 nan 8.370 nan 0.000 0.452 545 Q N -0.211 119.607 119.800 0.030 0.000 2.107 545 Q HA 0.023 4.366 4.340 0.005 0.000 0.195 545 Q C 2.572 178.561 176.000 -0.018 0.000 0.964 545 Q CA 0.518 56.363 55.803 0.070 0.000 0.833 545 Q CB 0.249 29.048 28.738 0.102 0.000 0.910 545 Q HN 0.172 nan 8.270 nan 0.000 0.465 546 V N 1.728 121.548 119.914 -0.158 0.000 2.636 546 V HA -0.295 3.828 4.120 0.005 0.000 0.258 546 V C 2.139 177.989 176.094 -0.406 0.000 1.092 546 V CA 1.401 63.477 62.300 -0.373 0.000 1.110 546 V CB -0.497 30.786 31.823 -0.899 0.000 0.685 546 V HN 0.380 nan 8.190 nan 0.000 0.481 547 L N -0.654 120.386 121.223 -0.306 0.000 2.068 547 L HA -0.071 4.272 4.340 0.005 0.000 0.204 547 L C 2.455 179.202 176.870 -0.204 0.000 1.076 547 L CA 1.271 55.943 54.840 -0.280 0.000 0.753 547 L CB -0.679 41.279 42.059 -0.168 0.000 0.910 547 L HN 0.352 nan 8.230 nan 0.000 0.439 548 N N 0.212 118.870 118.700 -0.069 0.000 2.084 548 N HA -0.157 4.586 4.740 0.005 0.000 0.190 548 N C 1.935 177.384 175.510 -0.102 0.000 1.030 548 N CA 1.385 54.428 53.050 -0.012 0.000 0.849 548 N CB -0.175 38.348 38.487 0.060 0.000 1.012 548 N HN 0.275 nan 8.380 nan 0.000 0.423 549 M N 0.663 120.218 119.600 -0.075 0.000 2.106 549 M HA -0.170 4.313 4.480 0.005 0.000 0.259 549 M C 2.080 178.278 176.300 -0.170 0.000 1.068 549 M CA 1.311 56.559 55.300 -0.086 0.000 1.100 549 M CB -0.339 32.272 32.600 0.019 0.000 1.351 549 M HN 0.119 nan 8.290 nan 0.000 0.404 550 L N -1.593 119.408 121.223 -0.370 0.000 1.994 550 L HA -0.261 4.082 4.340 0.005 0.000 0.208 550 L C 2.566 179.138 176.870 -0.497 0.000 1.071 550 L CA 1.374 55.770 54.840 -0.739 0.000 0.745 550 L CB -1.018 40.176 42.059 -1.442 0.000 0.892 550 L HN 0.236 nan 8.230 nan 0.000 0.431 551 Y N -0.276 119.748 120.300 -0.460 0.000 2.228 551 Y HA -0.302 4.251 4.550 0.005 0.000 0.285 551 Y C 2.104 177.986 175.900 -0.031 0.000 1.178 551 Y CA 1.136 59.152 58.100 -0.140 0.000 1.202 551 Y CB -0.575 37.846 38.460 -0.065 0.000 0.974 551 Y HN 0.126 nan 8.280 nan 0.000 0.527 552 W N -0.294 120.833 121.300 -0.289 0.000 2.381 552 W HA -0.007 4.656 4.660 0.006 0.000 0.301 552 W C 0.772 177.169 176.519 -0.203 0.000 1.205 552 W CA 1.345 58.491 57.345 -0.331 0.000 1.285 552 W CB -0.889 28.366 29.460 -0.343 0.000 1.133 552 W HN -0.381 nan 8.180 nan 0.000 0.521 553 V N 4.838 124.803 119.914 0.085 0.000 2.409 553 V HA -0.074 4.050 4.120 0.005 0.000 0.270 553 V C -0.723 175.415 176.094 0.074 0.000 1.019 553 V CA -0.572 61.776 62.300 0.081 0.000 1.066 553 V CB 0.088 31.968 31.823 0.095 0.000 1.021 553 V HN -0.020 nan 8.190 nan 0.000 0.476 554 P HA -0.175 nan 4.420 nan 0.000 0.217 554 P C 0.492 177.825 177.300 0.054 0.000 1.148 554 P CA 1.343 64.424 63.100 -0.033 0.000 0.834 554 P CB 0.335 31.992 31.700 -0.071 0.000 0.783 555 D N -1.721 118.732 120.400 0.088 0.000 2.491 555 D HA 0.023 4.666 4.640 0.005 0.000 0.228 555 D C 0.117 176.509 176.300 0.154 0.000 1.183 555 D CA -0.387 53.667 54.000 0.090 0.000 0.827 555 D CB -0.502 40.334 40.800 0.060 0.000 0.989 555 D HN 0.218 nan 8.370 nan 0.000 0.494 556 W N 3.921 125.229 121.300 0.014 0.000 2.303 556 W HA 0.030 4.693 4.660 0.005 0.000 0.318 556 W C 0.994 177.532 176.519 0.031 0.000 1.362 556 W CA -0.968 56.395 57.345 0.029 0.000 1.234 556 W CB 0.671 30.162 29.460 0.052 0.000 1.248 556 W HN -0.037 nan 8.180 nan 0.000 0.546 557 D N 3.756 123.937 120.400 -0.366 0.000 2.358 557 D HA -0.000 4.643 4.640 0.005 0.000 0.241 557 D C 1.421 177.208 176.300 -0.855 0.000 1.094 557 D CA 0.654 54.389 54.000 -0.443 0.000 0.907 557 D CB -0.698 39.970 40.800 -0.219 0.000 0.893 557 D HN 0.812 nan 8.370 nan 0.000 0.528 558 G N -0.051 107.558 108.800 -1.985 0.000 2.273 558 G HA2 -0.229 3.735 3.960 0.005 0.000 0.280 558 G HA3 -0.229 3.735 3.960 0.005 0.000 0.280 558 G C -0.021 174.173 174.900 -1.176 0.000 1.047 558 G CA 0.223 43.913 45.100 -2.350 0.000 0.869 558 G HN 0.390 nan 8.290 nan 0.000 0.502 559 V N 2.345 121.836 119.914 -0.704 0.000 2.320 559 V HA 0.297 4.420 4.120 0.005 0.000 0.268 559 V C 0.984 177.353 176.094 0.459 0.000 1.021 559 V CA -0.829 61.486 62.300 0.024 0.000 0.813 559 V CB 0.903 32.722 31.823 -0.007 0.000 1.054 559 V HN 0.488 nan 8.190 nan 0.000 0.444 560 I N 4.542 125.429 120.570 0.528 0.000 2.996 560 I HA 0.121 4.294 4.170 0.005 0.000 0.285 560 I C -1.401 174.912 176.117 0.328 0.000 1.173 560 I CA -1.004 60.532 61.300 0.394 0.000 1.396 560 I CB -0.480 37.685 38.000 0.275 0.000 1.470 560 I HN 0.350 nan 8.210 nan 0.000 0.586 561 P HA 0.005 nan 4.420 nan 0.000 0.266 561 P C -0.108 177.456 177.300 0.440 0.000 1.195 561 P CA -0.024 63.269 63.100 0.322 0.000 0.768 561 P CB 0.372 32.243 31.700 0.284 0.000 0.838 562 T N 3.691 118.408 114.554 0.271 0.000 2.829 562 T HA 0.145 4.498 4.350 0.005 0.000 0.293 562 T C -2.095 172.638 174.700 0.055 0.000 0.970 562 T CA -0.972 61.235 62.100 0.177 0.000 1.168 562 T CB -1.027 67.893 68.868 0.086 0.000 0.911 562 T HN 0.350 nan 8.240 nan 0.000 0.535 563 P HA 0.104 nan 4.420 nan 0.000 0.264 563 P C 0.592 177.645 177.300 -0.411 0.000 1.179 563 P CA -0.108 62.449 63.100 -0.906 0.000 0.763 563 P CB 0.345 31.349 31.700 -1.160 0.000 0.806 564 A N 3.948 126.566 122.820 -0.336 0.000 2.014 564 A HA 0.003 4.326 4.320 0.005 0.000 0.218 564 A C 0.946 178.477 177.584 -0.088 0.000 1.163 564 A CA 1.171 53.136 52.037 -0.121 0.000 0.652 564 A CB -0.458 18.512 19.000 -0.051 0.000 0.808 564 A HN 0.537 nan 8.150 nan 0.000 0.449 565 I N -0.017 120.463 120.570 -0.150 0.000 2.439 565 I HA 0.302 4.475 4.170 0.005 0.000 0.285 565 I C 0.111 176.118 176.117 -0.184 0.000 1.021 565 I CA -0.241 60.998 61.300 -0.101 0.000 1.091 565 I CB 1.928 39.920 38.000 -0.014 0.000 1.242 565 I HN 0.162 nan 8.210 nan 0.000 0.439 566 I N 5.126 125.618 120.570 -0.130 0.000 3.790 566 I HA -0.020 4.153 4.170 0.005 0.000 0.305 566 I C 1.863 177.934 176.117 -0.077 0.000 1.253 566 I CA -0.081 61.147 61.300 -0.120 0.000 1.355 566 I CB -0.165 37.782 38.000 -0.089 0.000 1.137 566 I HN 0.558 nan 8.210 nan 0.000 0.435 567 K N 3.165 123.527 120.400 -0.064 0.000 2.551 567 K HA -0.152 4.172 4.320 0.005 0.000 0.222 567 K C -0.815 175.759 176.600 -0.043 0.000 0.687 567 K CA 1.145 57.403 56.287 -0.048 0.000 0.875 567 K CB -2.428 30.043 32.500 -0.047 0.000 0.332 567 K HN 0.024 nan 8.250 nan 0.000 1.022 568 P HA -0.153 nan 4.420 nan 0.000 0.213 568 P C -0.065 177.218 177.300 -0.029 0.000 1.170 568 P CA 1.452 64.532 63.100 -0.033 0.000 0.893 568 P CB 0.087 31.767 31.700 -0.035 0.000 0.784 569 K N 1.106 121.483 120.400 -0.039 0.000 2.235 569 K HA 0.321 4.644 4.320 0.005 0.000 0.266 569 K C -2.453 174.114 176.600 -0.055 0.000 0.980 569 K CA -2.695 53.578 56.287 -0.024 0.000 0.849 569 K CB 1.631 34.124 32.500 -0.011 0.000 1.098 569 K HN -0.029 nan 8.250 nan 0.000 0.445 570 P HA 0.089 nan 4.420 nan 0.000 0.276 570 P C -1.161 175.977 177.300 -0.270 0.000 1.264 570 P CA -0.311 62.662 63.100 -0.212 0.000 0.769 570 P CB 0.665 32.272 31.700 -0.155 0.000 0.840 571 L N 4.543 125.562 121.223 -0.341 0.000 2.323 571 L HA 0.601 4.944 4.340 0.005 0.000 0.265 571 L C -0.133 176.581 176.870 -0.260 0.000 1.012 571 L CA -0.477 54.320 54.840 -0.073 0.000 0.820 571 L CB 1.599 43.771 42.059 0.189 0.000 1.334 571 L HN 0.412 nan 8.230 nan 0.000 0.427 572 W N 0.575 121.980 121.300 0.175 0.000 2.761 572 W HA 0.575 5.238 4.660 0.006 0.000 0.340 572 W C -0.155 176.347 176.519 -0.028 0.000 1.072 572 W CA -0.711 56.677 57.345 0.072 0.000 1.215 572 W CB 2.296 31.779 29.460 0.039 0.000 1.420 572 W HN 0.537 nan 8.180 nan 0.000 0.519 573 S N 0.110 115.810 115.700 0.001 0.000 2.693 573 S HA 0.517 4.990 4.470 0.005 0.000 0.276 573 S C 0.952 175.452 174.600 -0.167 0.000 1.192 573 S CA -0.088 57.923 58.200 -0.315 0.000 0.994 573 S CB 1.685 64.626 63.200 -0.431 0.000 1.012 573 S HN 0.609 nan 8.310 nan 0.000 0.550 574 G N 1.208 109.854 108.800 -0.256 0.000 2.552 574 G HA2 -0.192 3.771 3.960 0.005 0.000 0.216 574 G HA3 -0.192 3.771 3.960 0.005 0.000 0.216 574 G C 1.189 175.961 174.900 -0.213 0.000 1.240 574 G CA 0.759 45.694 45.100 -0.276 0.000 0.796 574 G HN 0.784 nan 8.290 nan 0.000 0.568 575 K N 0.121 120.403 120.400 -0.198 0.000 2.097 575 K HA -0.298 4.025 4.320 0.005 0.000 0.214 575 K C 2.556 179.099 176.600 -0.095 0.000 1.052 575 K CA 1.793 57.995 56.287 -0.143 0.000 0.932 575 K CB -0.385 32.043 32.500 -0.120 0.000 0.716 575 K HN 0.394 nan 8.250 nan 0.000 0.455 576 Q N 0.345 120.104 119.800 -0.069 0.000 2.062 576 Q HA -0.215 4.128 4.340 0.005 0.000 0.209 576 Q C 2.365 178.377 176.000 0.020 0.000 0.996 576 Q CA 2.242 58.050 55.803 0.009 0.000 0.859 576 Q CB -0.223 28.567 28.738 0.087 0.000 0.920 576 Q HN 0.614 nan 8.270 nan 0.000 0.415 577 I N -2.442 118.118 120.570 -0.017 0.000 2.731 577 I HA -0.070 4.103 4.170 0.005 0.000 0.260 577 I C 2.150 178.225 176.117 -0.070 0.000 1.138 577 I CA 0.409 61.683 61.300 -0.043 0.000 1.461 577 I CB -0.317 37.632 38.000 -0.085 0.000 1.128 577 I HN 0.097 nan 8.210 nan 0.000 0.438 578 L N 1.611 122.767 121.223 -0.112 0.000 2.197 578 L HA -0.186 4.157 4.340 0.005 0.000 0.215 578 L C 2.236 179.062 176.870 -0.073 0.000 1.095 578 L CA 2.016 56.786 54.840 -0.115 0.000 0.764 578 L CB -0.881 41.081 42.059 -0.162 0.000 0.897 578 L HN 0.314 nan 8.230 nan 0.000 0.436 579 S N -1.020 114.646 115.700 -0.056 0.000 2.402 579 S HA -0.105 4.368 4.470 0.005 0.000 0.229 579 S C 1.860 176.460 174.600 -0.000 0.000 1.021 579 S CA 1.187 59.368 58.200 -0.032 0.000 0.974 579 S CB -0.443 62.744 63.200 -0.021 0.000 0.800 579 S HN 0.416 nan 8.310 nan 0.000 0.484 580 V N 1.921 121.844 119.914 0.015 0.000 2.794 580 V HA -0.243 3.880 4.120 0.005 0.000 0.260 580 V C 2.353 178.482 176.094 0.059 0.000 1.103 580 V CA 1.571 63.907 62.300 0.060 0.000 1.125 580 V CB -1.403 30.451 31.823 0.051 0.000 0.702 580 V HN 0.546 nan 8.190 nan 0.000 0.494 581 A N -0.146 122.687 122.820 0.021 0.000 1.878 581 A HA 0.184 4.507 4.320 0.005 0.000 0.213 581 A C 1.177 178.766 177.584 0.009 0.000 1.192 581 A CA 0.254 52.303 52.037 0.019 0.000 0.619 581 A CB -0.232 18.766 19.000 -0.003 0.000 0.837 581 A HN 0.485 nan 8.150 nan 0.000 0.446 582 I N 3.124 123.688 120.570 -0.010 0.000 2.664 582 I HA 0.066 4.239 4.170 0.005 0.000 0.284 582 I C -1.910 174.209 176.117 0.004 0.000 1.154 582 I CA -1.388 59.902 61.300 -0.017 0.000 1.402 582 I CB 0.323 38.303 38.000 -0.034 0.000 1.395 582 I HN 0.240 nan 8.210 nan 0.000 0.545 583 P HA 0.023 nan 4.420 nan 0.000 0.270 583 P C -0.821 176.490 177.300 0.018 0.000 1.223 583 P CA -0.302 62.810 63.100 0.020 0.000 0.785 583 P CB 0.511 32.223 31.700 0.020 0.000 0.923 584 N N 0.106 118.820 118.700 0.023 0.000 2.453 584 N HA 0.203 4.947 4.740 0.005 0.000 0.253 584 N C 1.554 177.082 175.510 0.030 0.000 1.252 584 N CA 0.890 53.953 53.050 0.023 0.000 0.917 584 N CB 0.054 38.554 38.487 0.022 0.000 1.117 584 N HN 0.814 nan 8.380 nan 0.000 0.442 585 G N -0.112 108.711 108.800 0.038 0.000 2.284 585 G HA2 -0.250 3.713 3.960 0.005 0.000 0.230 585 G HA3 -0.250 3.713 3.960 0.005 0.000 0.230 585 G C 0.259 175.214 174.900 0.090 0.000 1.021 585 G CA -0.362 44.777 45.100 0.065 0.000 0.619 585 G HN 0.499 nan 8.290 nan 0.000 0.510 586 I N 1.994 122.598 120.570 0.056 0.000 2.872 586 I HA 0.231 4.405 4.170 0.005 0.000 0.291 586 I C 0.539 176.706 176.117 0.083 0.000 1.216 586 I CA 0.649 61.983 61.300 0.056 0.000 1.424 586 I CB 0.367 38.375 38.000 0.012 0.000 1.351 586 I HN 0.288 nan 8.210 nan 0.000 0.592 587 H N 5.803 124.877 119.070 0.007 0.000 2.856 587 H HA 0.569 5.128 4.556 0.005 0.000 0.355 587 H C -1.679 173.650 175.328 0.002 0.000 1.079 587 H CA -0.668 55.388 56.048 0.013 0.000 1.240 587 H CB 2.190 31.969 29.762 0.029 0.000 1.701 587 H HN 0.406 nan 8.280 nan 0.000 0.527 588 L N 3.769 125.050 121.223 0.098 0.000 2.543 588 L HA 0.307 4.650 4.340 0.005 0.000 0.265 588 L C -1.387 175.515 176.870 0.053 0.000 0.945 588 L CA -0.157 54.725 54.840 0.071 0.000 0.869 588 L CB 2.028 44.084 42.059 -0.006 0.000 1.294 588 L HN 0.613 nan 8.230 nan 0.000 0.405 589 Q N 3.578 123.442 119.800 0.106 0.000 2.353 589 Q HA 0.536 4.879 4.340 0.005 0.000 0.268 589 Q C -0.384 175.716 176.000 0.166 0.000 1.045 589 Q CA -0.561 55.336 55.803 0.157 0.000 0.811 589 Q CB 3.210 32.086 28.738 0.230 0.000 1.305 589 Q HN 0.724 nan 8.270 nan 0.000 0.447 590 R N 1.653 122.289 120.500 0.227 0.000 1.850 590 R HA 0.300 4.643 4.340 0.005 0.000 0.152 590 R C -0.860 175.706 176.300 0.444 0.000 2.001 590 R CA 0.181 56.407 56.100 0.210 0.000 1.578 590 R CB 0.693 31.012 30.300 0.032 0.000 1.261 590 R HN 0.582 nan 8.270 nan 0.000 0.478 591 F N 1.816 121.792 119.950 0.044 0.000 2.228 591 F HA -0.206 4.324 4.527 0.005 0.000 0.484 591 F C 0.070 175.895 175.800 0.042 0.000 1.239 591 F CA 0.300 58.341 58.000 0.069 0.000 1.558 591 F CB -1.098 37.942 39.000 0.066 0.000 2.443 591 F HN 0.410 nan 8.300 nan 0.000 0.741 592 D N 1.784 122.255 120.400 0.117 0.000 2.130 592 D HA 0.065 4.708 4.640 0.005 0.000 0.292 592 D C 1.524 177.875 176.300 0.085 0.000 1.146 592 D CA 0.709 54.757 54.000 0.080 0.000 0.883 592 D CB 0.177 40.998 40.800 0.036 0.000 0.936 592 D HN 0.642 nan 8.370 nan 0.000 0.298 593 E N 0.194 120.425 120.200 0.052 0.000 2.156 593 E HA 0.198 4.551 4.350 0.005 0.000 0.225 593 E C 0.917 177.547 176.600 0.049 0.000 0.906 593 E CA -0.167 56.261 56.400 0.048 0.000 0.988 593 E CB -0.373 29.343 29.700 0.026 0.000 1.151 593 E HN 0.200 nan 8.360 nan 0.000 0.504 594 G N 1.637 110.452 108.800 0.025 0.000 2.494 594 G HA2 0.180 4.143 3.960 0.005 0.000 0.297 594 G HA3 0.180 4.143 3.960 0.005 0.000 0.297 594 G C -0.703 174.191 174.900 -0.009 0.000 0.971 594 G CA 0.164 45.272 45.100 0.013 0.000 1.378 594 G HN -0.005 nan 8.290 nan 0.000 0.456 595 T N 0.840 115.391 114.554 -0.005 0.000 2.886 595 T HA 0.636 4.989 4.350 0.005 0.000 0.292 595 T C 0.254 174.888 174.700 -0.110 0.000 1.012 595 T CA -0.511 61.514 62.100 -0.124 0.000 0.982 595 T CB 1.901 70.628 68.868 -0.235 0.000 1.018 595 T HN 0.537 nan 8.240 nan 0.000 0.451 596 T N 0.265 114.687 114.554 -0.220 0.000 4.487 596 T HA 0.271 4.624 4.350 0.005 0.000 0.232 596 T C 0.505 175.082 174.700 -0.206 0.000 0.941 596 T CA -0.688 61.344 62.100 -0.114 0.000 1.315 596 T CB -0.841 67.987 68.868 -0.066 0.000 0.851 596 T HN 0.443 nan 8.240 nan 0.000 0.559 597 L N -0.329 120.708 121.223 -0.310 0.000 4.552 597 L HA -0.200 4.143 4.340 0.005 0.000 0.443 597 L C 0.910 177.440 176.870 -0.568 0.000 1.104 597 L CA 1.507 56.127 54.840 -0.367 0.000 0.959 597 L CB -1.230 40.800 42.059 -0.049 0.000 1.818 597 L HN 0.722 nan 8.230 nan 0.000 1.030 598 L N -0.777 120.113 121.223 -0.556 0.000 3.693 598 L HA 0.182 4.525 4.340 0.005 0.000 0.357 598 L C 0.751 177.402 176.870 -0.364 0.000 1.330 598 L CA 0.301 54.886 54.840 -0.426 0.000 1.046 598 L CB 0.446 42.371 42.059 -0.223 0.000 1.407 598 L HN 0.265 nan 8.230 nan 0.000 0.614 599 S N 0.789 116.214 115.700 -0.458 0.000 4.176 599 S HA -0.072 4.401 4.470 0.005 0.000 0.501 599 S C -1.115 173.401 174.600 -0.139 0.000 0.996 599 S CA -0.358 57.700 58.200 -0.236 0.000 1.361 599 S CB -0.422 62.706 63.200 -0.119 0.000 0.860 599 S HN 0.385 nan 8.310 nan 0.000 0.534 600 P HA -0.155 nan 4.420 nan 0.000 0.213 600 P C 0.921 178.202 177.300 -0.031 0.000 1.170 600 P CA 1.296 64.362 63.100 -0.058 0.000 0.898 600 P CB 0.048 31.722 31.700 -0.044 0.000 0.787 601 K N -0.689 119.698 120.400 -0.022 0.000 2.574 601 K HA -0.082 4.241 4.320 0.005 0.000 0.193 601 K C 0.082 176.685 176.600 0.005 0.000 1.035 601 K CA 0.491 56.775 56.287 -0.005 0.000 0.982 601 K CB -0.783 31.715 32.500 -0.003 0.000 0.795 601 K HN 0.058 nan 8.250 nan 0.000 0.491 602 D N 0.812 121.217 120.400 0.009 0.000 2.746 602 D HA -0.146 4.497 4.640 0.005 0.000 0.241 602 D C -0.449 175.883 176.300 0.054 0.000 1.140 602 D CA 0.394 54.424 54.000 0.049 0.000 0.707 602 D CB -0.933 39.887 40.800 0.034 0.000 1.034 602 D HN 0.224 nan 8.370 nan 0.000 0.423 603 N N -0.103 118.632 118.700 0.058 0.000 2.849 603 N HA 0.614 5.358 4.740 0.005 0.000 0.307 603 N C 1.611 177.142 175.510 0.035 0.000 1.370 603 N CA 0.113 53.181 53.050 0.030 0.000 0.790 603 N CB -0.790 37.703 38.487 0.010 0.000 1.117 603 N HN 0.416 nan 8.380 nan 0.000 0.495 604 G N 0.841 109.638 108.800 -0.006 0.000 2.582 604 G HA2 -0.219 3.744 3.960 0.005 0.000 0.369 604 G HA3 -0.219 3.744 3.960 0.005 0.000 0.369 604 G C -0.144 174.656 174.900 -0.166 0.000 1.370 604 G CA 1.388 46.450 45.100 -0.063 0.000 0.955 604 G HN 0.706 nan 8.290 nan 0.000 0.525 605 M N -2.201 117.164 119.600 -0.391 0.000 2.462 605 M HA 0.573 5.056 4.480 0.005 0.000 0.275 605 M C -2.310 173.610 176.300 -0.634 0.000 0.978 605 M CA -0.536 54.452 55.300 -0.521 0.000 0.852 605 M CB 1.311 33.768 32.600 -0.238 0.000 1.925 605 M HN 1.697 nan 8.290 nan 0.000 0.545 606 L N 6.515 127.228 121.223 -0.849 0.000 2.541 606 L HA 0.797 5.141 4.340 0.005 0.000 0.266 606 L C -2.120 174.558 176.870 -0.320 0.000 0.966 606 L CA -0.175 54.349 54.840 -0.528 0.000 0.871 606 L CB 1.569 43.292 42.059 -0.561 0.000 1.232 606 L HN 0.788 nan 8.230 nan 0.000 0.408 607 I N 5.703 126.150 120.570 -0.205 0.000 2.493 607 I HA 0.554 4.727 4.170 0.005 0.000 0.298 607 I C -0.543 175.432 176.117 -0.238 0.000 0.998 607 I CA -0.631 60.567 61.300 -0.170 0.000 1.137 607 I CB 2.003 39.925 38.000 -0.129 0.000 1.310 607 I HN 0.491 nan 8.210 nan 0.000 0.445 608 I N 3.948 124.384 120.570 -0.224 0.000 2.686 608 I HA 0.195 4.368 4.170 0.005 0.000 0.295 608 I C -0.042 175.976 176.117 -0.164 0.000 1.114 608 I CA -0.399 60.697 61.300 -0.340 0.000 1.038 608 I CB 1.986 39.833 38.000 -0.254 0.000 1.238 608 I HN 0.653 nan 8.210 nan 0.000 0.420 609 D N 4.135 124.458 120.400 -0.129 0.000 2.913 609 D HA -0.226 4.417 4.640 0.005 0.000 0.228 609 D C 0.971 177.261 176.300 -0.017 0.000 1.180 609 D CA 1.956 55.945 54.000 -0.018 0.000 0.761 609 D CB -0.556 40.252 40.800 0.014 0.000 1.085 609 D HN 1.147 nan 8.370 nan 0.000 0.420 610 G N -1.586 107.188 108.800 -0.044 0.000 2.131 610 G HA2 -0.267 3.696 3.960 0.005 0.000 0.223 610 G HA3 -0.267 3.696 3.960 0.005 0.000 0.223 610 G C -0.232 174.649 174.900 -0.031 0.000 0.990 610 G CA 0.291 45.373 45.100 -0.029 0.000 0.671 610 G HN 0.443 nan 8.290 nan 0.000 0.521 611 Q N -0.075 119.699 119.800 -0.043 0.000 2.331 611 Q HA 0.516 4.859 4.340 0.005 0.000 0.267 611 Q C 0.550 176.517 176.000 -0.055 0.000 1.006 611 Q CA -0.810 54.974 55.803 -0.031 0.000 0.818 611 Q CB 1.723 30.457 28.738 -0.006 0.000 1.276 611 Q HN 0.457 nan 8.270 nan 0.000 0.450 612 I N 3.809 124.342 120.570 -0.061 0.000 2.671 612 I HA -0.123 4.050 4.170 0.005 0.000 0.285 612 I C 1.372 177.457 176.117 -0.054 0.000 1.148 612 I CA 0.433 61.682 61.300 -0.085 0.000 1.386 612 I CB 0.278 38.222 38.000 -0.093 0.000 1.406 612 I HN 0.606 nan 8.210 nan 0.000 0.540 613 I N 7.217 127.753 120.570 -0.056 0.000 2.585 613 I HA 0.038 4.211 4.170 0.005 0.000 0.254 613 I C 0.159 176.387 176.117 0.185 0.000 1.129 613 I CA 0.615 61.950 61.300 0.058 0.000 1.455 613 I CB 0.154 38.223 38.000 0.116 0.000 1.111 613 I HN 0.571 nan 8.210 nan 0.000 0.433 614 F N -0.393 119.519 119.950 -0.064 0.000 2.740 614 F HA 0.605 5.135 4.527 0.005 0.000 0.312 614 F C -0.730 175.021 175.800 -0.082 0.000 1.121 614 F CA -0.778 57.177 58.000 -0.074 0.000 0.977 614 F CB 0.241 39.196 39.000 -0.076 0.000 1.265 614 F HN -0.038 nan 8.300 nan 0.000 0.443 615 G N 1.694 110.543 108.800 0.082 0.000 3.233 615 G HA2 0.332 4.295 3.960 0.005 0.000 0.686 615 G HA3 0.332 4.295 3.960 0.005 0.000 0.686 615 G C -1.275 173.579 174.900 -0.076 0.000 1.153 615 G CA -0.661 44.419 45.100 -0.034 0.000 0.853 615 G HN 1.448 nan 8.290 nan 0.000 0.582 616 V N 1.810 121.696 119.914 -0.048 0.000 2.763 616 V HA 0.265 4.388 4.120 0.005 0.000 0.306 616 V C 1.289 177.332 176.094 -0.084 0.000 1.059 616 V CA -0.282 61.978 62.300 -0.065 0.000 1.138 616 V CB 1.433 33.229 31.823 -0.045 0.000 0.940 616 V HN 0.866 nan 8.190 nan 0.000 0.489 617 V N 5.515 125.369 119.914 -0.100 0.000 2.348 617 V HA 0.514 4.637 4.120 0.005 0.000 0.270 617 V C -0.001 176.042 176.094 -0.085 0.000 1.037 617 V CA -0.161 62.080 62.300 -0.100 0.000 0.872 617 V CB 0.762 32.514 31.823 -0.117 0.000 1.002 617 V HN 1.183 nan 8.190 nan 0.000 0.464 618 E N 2.817 122.977 120.200 -0.066 0.000 2.458 618 E HA 0.420 4.773 4.350 0.005 0.000 0.278 618 E C 0.617 177.195 176.600 -0.037 0.000 1.004 618 E CA -0.991 55.378 56.400 -0.051 0.000 0.823 618 E CB 0.853 30.528 29.700 -0.041 0.000 1.396 618 E HN 0.120 nan 8.360 nan 0.000 0.463 619 K N 0.460 120.845 120.400 -0.024 0.000 2.250 619 K HA -0.421 3.902 4.320 0.005 0.000 0.217 619 K C 1.255 177.850 176.600 -0.008 0.000 1.010 619 K CA 2.887 59.168 56.287 -0.010 0.000 0.937 619 K CB -0.294 32.206 32.500 0.000 0.000 0.892 619 K HN 0.521 nan 8.250 nan 0.000 0.481 620 K N -1.051 119.344 120.400 -0.009 0.000 2.280 620 K HA -0.073 4.250 4.320 0.005 0.000 0.202 620 K C 1.838 178.431 176.600 -0.010 0.000 1.047 620 K CA 1.685 57.970 56.287 -0.003 0.000 0.942 620 K CB 0.090 32.589 32.500 -0.002 0.000 0.739 620 K HN 0.277 nan 8.250 nan 0.000 0.457 621 T N -0.693 113.844 114.554 -0.028 0.000 3.034 621 T HA 0.041 4.394 4.350 0.005 0.000 0.248 621 T C 1.173 175.843 174.700 -0.050 0.000 1.040 621 T CA 0.308 62.383 62.100 -0.041 0.000 1.107 621 T CB 0.641 69.470 68.868 -0.065 0.000 0.932 621 T HN 0.000 nan 8.240 nan 0.000 0.474 622 V N 1.469 121.351 119.914 -0.054 0.000 3.111 622 V HA 0.586 4.709 4.120 0.005 0.000 0.343 622 V C 0.577 176.640 176.094 -0.053 0.000 1.417 622 V CA -0.103 62.151 62.300 -0.076 0.000 1.142 622 V CB -0.059 31.704 31.823 -0.098 0.000 1.114 622 V HN 0.428 nan 8.190 nan 0.000 0.520 623 G N 0.278 109.067 108.800 -0.018 0.000 2.702 623 G HA2 0.367 4.331 3.960 0.005 0.000 0.254 623 G HA3 0.367 4.331 3.960 0.005 0.000 0.254 623 G C 0.580 175.497 174.900 0.027 0.000 1.380 623 G CA 0.361 45.469 45.100 0.013 0.000 1.042 623 G HN 0.614 nan 8.290 nan 0.000 0.557 624 S N -0.249 115.474 115.700 0.039 0.000 2.767 624 S HA 0.267 4.740 4.470 0.005 0.000 0.253 624 S C 0.963 175.566 174.600 0.004 0.000 1.082 624 S CA 0.092 58.311 58.200 0.031 0.000 1.148 624 S CB -0.892 62.326 63.200 0.030 0.000 0.808 624 S HN 0.843 nan 8.310 nan 0.000 0.466 625 S N 1.007 116.713 115.700 0.011 0.000 2.617 625 S HA 0.262 4.735 4.470 0.005 0.000 0.259 625 S C 1.049 175.652 174.600 0.005 0.000 1.301 625 S CA -0.676 57.532 58.200 0.014 0.000 0.984 625 S CB 0.426 63.640 63.200 0.023 0.000 0.954 625 S HN 0.371 nan 8.310 nan 0.000 0.572 626 N N 1.336 120.053 118.700 0.030 0.000 2.046 626 N HA -0.056 4.687 4.740 0.005 0.000 0.190 626 N C 1.543 177.182 175.510 0.214 0.000 1.085 626 N CA 1.573 54.660 53.050 0.060 0.000 0.876 626 N CB -1.152 37.390 38.487 0.092 0.000 1.052 626 N HN 0.869 nan 8.380 nan 0.000 0.432 627 G N 0.584 109.496 108.800 0.187 0.000 3.352 627 G HA2 0.243 4.206 3.960 0.005 0.000 0.236 627 G HA3 0.243 4.206 3.960 0.005 0.000 0.236 627 G C 0.538 175.512 174.900 0.122 0.000 1.324 627 G CA 0.089 45.295 45.100 0.177 0.000 1.404 627 G HN 0.458 nan 8.290 nan 0.000 0.542 628 G N -0.816 108.068 108.800 0.140 0.000 2.667 628 G HA2 0.237 4.200 3.960 0.005 0.000 0.250 628 G HA3 0.237 4.200 3.960 0.005 0.000 0.250 628 G C 1.105 176.038 174.900 0.055 0.000 1.212 628 G CA -0.688 44.457 45.100 0.075 0.000 0.874 628 G HN 0.236 nan 8.290 nan 0.000 0.561 629 L N 0.483 121.705 121.223 -0.001 0.000 2.012 629 L HA -0.130 4.214 4.340 0.005 0.000 0.210 629 L C 2.805 179.661 176.870 -0.024 0.000 1.073 629 L CA 1.363 56.185 54.840 -0.030 0.000 0.748 629 L CB -0.278 41.737 42.059 -0.074 0.000 0.891 629 L HN 0.609 nan 8.230 nan 0.000 0.431 630 I N -1.046 119.501 120.570 -0.038 0.000 2.099 630 I HA -0.388 3.785 4.170 0.005 0.000 0.239 630 I C 2.562 178.734 176.117 0.092 0.000 1.066 630 I CA 1.493 62.778 61.300 -0.025 0.000 1.324 630 I CB -0.726 37.255 38.000 -0.032 0.000 1.037 630 I HN 0.397 nan 8.210 nan 0.000 0.401 631 H N 0.989 120.058 119.070 -0.002 0.000 2.362 631 H HA -0.188 4.371 4.556 0.005 0.000 0.294 631 H C 1.982 177.313 175.328 0.004 0.000 1.113 631 H CA 2.172 58.225 56.048 0.008 0.000 1.253 631 H CB -0.488 29.282 29.762 0.012 0.000 1.363 631 H HN 0.111 nan 8.280 nan 0.000 0.494 632 V N -0.639 119.293 119.914 0.030 0.000 2.232 632 V HA -0.217 3.906 4.120 0.005 0.000 0.239 632 V C 2.811 178.896 176.094 -0.014 0.000 1.040 632 V CA 1.476 63.745 62.300 -0.050 0.000 0.996 632 V CB -1.026 30.784 31.823 -0.021 0.000 0.638 632 V HN 0.297 nan 8.190 nan 0.000 0.453 633 V N 0.399 120.315 119.914 0.003 0.000 2.252 633 V HA -0.404 3.720 4.120 0.005 0.000 0.255 633 V C 2.560 178.668 176.094 0.023 0.000 1.071 633 V CA 2.924 65.229 62.300 0.008 0.000 1.050 633 V CB -1.460 30.358 31.823 -0.007 0.000 0.654 633 V HN 0.686 nan 8.190 nan 0.000 0.448 634 T N -0.548 114.032 114.554 0.042 0.000 2.607 634 T HA -0.235 4.118 4.350 0.005 0.000 0.267 634 T C 2.107 176.821 174.700 0.023 0.000 1.049 634 T CA 1.646 63.777 62.100 0.053 0.000 1.162 634 T CB -0.309 68.610 68.868 0.086 0.000 0.863 634 T HN 0.272 nan 8.240 nan 0.000 0.424 635 R N 0.606 121.108 120.500 0.002 0.000 2.073 635 R HA -0.012 4.332 4.340 0.005 0.000 0.234 635 R C 2.431 178.726 176.300 -0.008 0.000 1.134 635 R CA 1.377 57.462 56.100 -0.025 0.000 0.952 635 R CB -0.585 29.664 30.300 -0.085 0.000 0.850 635 R HN 0.439 nan 8.270 nan 0.000 0.433 636 E N 0.714 120.910 120.200 -0.007 0.000 1.998 636 E HA -0.121 4.232 4.350 0.005 0.000 0.195 636 E C 1.850 178.464 176.600 0.023 0.000 0.994 636 E CA 1.398 57.804 56.400 0.010 0.000 0.835 636 E CB 0.033 29.743 29.700 0.017 0.000 0.786 636 E HN -0.091 nan 8.360 nan 0.000 0.467 637 K N -0.478 119.938 120.400 0.026 0.000 2.057 637 K HA 0.119 4.442 4.320 0.005 0.000 0.206 637 K C 0.810 177.427 176.600 0.029 0.000 1.050 637 K CA 1.200 57.505 56.287 0.030 0.000 0.935 637 K CB -0.250 32.267 32.500 0.030 0.000 0.715 637 K HN 0.341 nan 8.250 nan 0.000 0.439 638 G N -0.639 108.178 108.800 0.029 0.000 2.361 638 G HA2 0.001 3.964 3.960 0.005 0.000 0.305 638 G HA3 0.001 3.964 3.960 0.005 0.000 0.305 638 G C -2.603 172.316 174.900 0.032 0.000 1.367 638 G CA -0.371 44.746 45.100 0.028 0.000 0.951 638 G HN -0.191 nan 8.290 nan 0.000 0.615 639 P HA -0.067 nan 4.420 nan 0.000 0.215 639 P C 1.336 178.659 177.300 0.037 0.000 1.157 639 P CA 1.179 64.294 63.100 0.026 0.000 0.856 639 P CB 0.221 31.922 31.700 0.003 0.000 0.786 640 Q N -0.010 119.807 119.800 0.027 0.000 2.050 640 Q HA -0.078 4.265 4.340 0.005 0.000 0.202 640 Q C 2.417 178.446 176.000 0.047 0.000 0.980 640 Q CA 1.298 57.120 55.803 0.030 0.000 0.840 640 Q CB -1.158 27.591 28.738 0.019 0.000 0.898 640 Q HN 0.140 nan 8.270 nan 0.000 0.424 641 V N 0.414 120.354 119.914 0.044 0.000 2.343 641 V HA -0.280 3.843 4.120 0.005 0.000 0.247 641 V C 2.536 178.671 176.094 0.068 0.000 1.051 641 V CA 1.749 64.078 62.300 0.048 0.000 1.036 641 V CB -0.795 31.050 31.823 0.037 0.000 0.654 641 V HN 0.495 nan 8.190 nan 0.000 0.451 642 C N 0.339 119.690 119.300 0.085 0.000 2.440 642 C HA 0.004 4.467 4.460 0.005 0.000 0.278 642 C C 3.081 178.219 174.990 0.248 0.000 1.295 642 C CA 0.594 59.687 59.018 0.125 0.000 1.738 642 C CB -1.211 26.611 27.740 0.137 0.000 1.987 642 C HN 0.573 nan 8.230 nan 0.000 0.492 643 A N 0.395 123.341 122.820 0.209 0.000 1.865 643 A HA -0.240 4.083 4.320 0.005 0.000 0.217 643 A C 2.288 180.022 177.584 0.250 0.000 1.191 643 A CA 2.149 54.320 52.037 0.224 0.000 0.623 643 A CB -0.863 18.185 19.000 0.081 0.000 0.826 643 A HN 0.730 nan 8.150 nan 0.000 0.444 644 K N -0.971 119.518 120.400 0.148 0.000 2.160 644 K HA -0.182 4.142 4.320 0.005 0.000 0.206 644 K C 1.863 178.543 176.600 0.133 0.000 1.047 644 K CA 1.436 57.794 56.287 0.117 0.000 0.930 644 K CB -0.317 32.226 32.500 0.071 0.000 0.720 644 K HN 0.394 nan 8.250 nan 0.000 0.450 645 L N 0.557 121.854 121.223 0.124 0.000 2.012 645 L HA -0.175 4.169 4.340 0.005 0.000 0.210 645 L C 1.687 178.576 176.870 0.030 0.000 1.073 645 L CA 1.767 56.627 54.840 0.033 0.000 0.748 645 L CB -0.713 41.305 42.059 -0.068 0.000 0.891 645 L HN 0.093 nan 8.230 nan 0.000 0.431 646 F N 0.335 120.302 119.950 0.030 0.000 2.065 646 F HA -0.155 4.375 4.527 0.005 0.000 0.298 646 F C 2.515 178.341 175.800 0.044 0.000 1.112 646 F CA 1.730 59.751 58.000 0.035 0.000 1.212 646 F CB -1.602 37.423 39.000 0.041 0.000 0.975 646 F HN 0.229 nan 8.300 nan 0.000 0.476 647 G N 0.431 109.388 108.800 0.261 0.000 2.721 647 G HA2 -0.372 3.591 3.960 0.005 0.000 0.218 647 G HA3 -0.372 3.591 3.960 0.005 0.000 0.218 647 G C 1.610 176.589 174.900 0.131 0.000 1.265 647 G CA 1.467 46.664 45.100 0.162 0.000 0.796 647 G HN 0.295 nan 8.290 nan 0.000 0.620 648 N N 1.034 119.795 118.700 0.101 0.000 2.002 648 N HA -0.166 4.577 4.740 0.005 0.000 0.199 648 N C 2.280 177.839 175.510 0.081 0.000 1.060 648 N CA 1.576 54.679 53.050 0.088 0.000 0.867 648 N CB -0.864 37.660 38.487 0.063 0.000 1.069 648 N HN 0.436 nan 8.380 nan 0.000 0.430 649 I N 1.773 122.365 120.570 0.037 0.000 2.130 649 I HA -0.433 3.741 4.170 0.005 0.000 0.241 649 I C 2.538 178.680 176.117 0.042 0.000 1.023 649 I CA 1.745 63.049 61.300 0.007 0.000 1.293 649 I CB -0.570 37.403 38.000 -0.045 0.000 1.001 649 I HN 0.312 nan 8.210 nan 0.000 0.407 650 Q N 0.666 120.516 119.800 0.083 0.000 1.985 650 Q HA -0.276 4.067 4.340 0.005 0.000 0.207 650 Q C 2.229 178.304 176.000 0.125 0.000 0.996 650 Q CA 1.942 57.809 55.803 0.107 0.000 0.851 650 Q CB -0.355 28.470 28.738 0.145 0.000 0.921 650 Q HN 0.543 nan 8.270 nan 0.000 0.418 651 K N 0.289 120.800 120.400 0.186 0.000 2.034 651 K HA -0.200 4.123 4.320 0.005 0.000 0.214 651 K C 2.212 178.906 176.600 0.156 0.000 1.051 651 K CA 1.910 58.380 56.287 0.305 0.000 0.931 651 K CB -0.531 32.244 32.500 0.458 0.000 0.715 651 K HN 0.025 nan 8.250 nan 0.000 0.446 652 V N 1.297 121.287 119.914 0.126 0.000 2.220 652 V HA -0.280 3.843 4.120 0.005 0.000 0.242 652 V C 2.372 178.503 176.094 0.063 0.000 1.041 652 V CA 1.891 64.231 62.300 0.066 0.000 0.990 652 V CB -0.667 31.172 31.823 0.026 0.000 0.634 652 V HN 0.115 nan 8.190 nan 0.000 0.452 653 V N 0.853 120.783 119.914 0.027 0.000 2.223 653 V HA -0.404 3.719 4.120 0.005 0.000 0.253 653 V C 2.355 178.505 176.094 0.093 0.000 1.061 653 V CA 2.635 64.957 62.300 0.036 0.000 1.035 653 V CB -1.151 30.669 31.823 -0.005 0.000 0.653 653 V HN 0.625 nan 8.190 nan 0.000 0.454 654 N N -0.330 118.402 118.700 0.054 0.000 2.058 654 N HA -0.278 4.465 4.740 0.005 0.000 0.200 654 N C 1.718 177.184 175.510 -0.073 0.000 1.033 654 N CA 2.399 55.463 53.050 0.022 0.000 0.880 654 N CB -0.779 37.737 38.487 0.048 0.000 1.069 654 N HN 0.558 nan 8.380 nan 0.000 0.461 655 F N 0.387 120.138 119.950 -0.332 0.000 2.154 655 F HA -0.213 4.317 4.527 0.005 0.000 0.301 655 F C 2.380 177.888 175.800 -0.487 0.000 1.087 655 F CA 1.602 59.239 58.000 -0.606 0.000 1.274 655 F CB -0.583 37.760 39.000 -1.095 0.000 1.009 655 F HN 0.240 nan 8.300 nan 0.000 0.485 656 W N 0.697 121.644 121.300 -0.588 0.000 2.413 656 W HA -0.160 4.503 4.660 0.005 0.000 0.315 656 W C 2.199 178.455 176.519 -0.439 0.000 1.186 656 W CA 1.671 58.678 57.345 -0.562 0.000 1.326 656 W CB -0.832 28.471 29.460 -0.261 0.000 1.153 656 W HN 0.091 nan 8.180 nan 0.000 0.489 657 L N 1.315 122.575 121.223 0.062 0.000 2.263 657 L HA -0.172 4.171 4.340 0.005 0.000 0.216 657 L C 2.150 178.857 176.870 -0.271 0.000 1.111 657 L CA 1.989 56.767 54.840 -0.102 0.000 0.773 657 L CB -1.425 40.714 42.059 0.133 0.000 0.906 657 L HN 0.285 nan 8.230 nan 0.000 0.439 658 L N -0.981 120.043 121.223 -0.331 0.000 2.083 658 L HA -0.199 4.144 4.340 0.005 0.000 0.209 658 L C 2.273 179.062 176.870 -0.135 0.000 1.083 658 L CA 1.891 56.589 54.840 -0.237 0.000 0.752 658 L CB -0.807 41.083 42.059 -0.282 0.000 0.899 658 L HN 0.413 nan 8.230 nan 0.000 0.433 659 H N -1.862 116.908 119.070 -0.500 0.000 2.486 659 H HA 0.112 4.671 4.556 0.005 0.000 0.287 659 H C 1.963 177.019 175.328 -0.453 0.000 1.010 659 H CA 1.012 56.792 56.048 -0.447 0.000 1.324 659 H CB -0.503 28.953 29.762 -0.510 0.000 1.446 659 H HN 0.390 nan 8.280 nan 0.000 0.537 660 N N 0.774 119.134 118.700 -0.567 0.000 2.520 660 N HA -0.035 4.708 4.740 0.005 0.000 0.185 660 N C 0.588 175.936 175.510 -0.270 0.000 1.068 660 N CA 0.768 53.464 53.050 -0.591 0.000 0.911 660 N CB 0.219 37.962 38.487 -1.241 0.000 0.961 660 N HN 0.463 nan 8.380 nan 0.000 0.446 661 G N -0.610 108.081 108.800 -0.181 0.000 2.960 661 G HA2 -0.213 3.750 3.960 0.005 0.000 0.267 661 G HA3 -0.213 3.750 3.960 0.005 0.000 0.267 661 G C -0.614 174.359 174.900 0.122 0.000 1.492 661 G CA 0.171 45.249 45.100 -0.036 0.000 0.953 661 G HN 0.402 nan 8.290 nan 0.000 0.555 662 F N -0.118 119.801 119.950 -0.052 0.000 2.746 662 F HA 0.623 5.153 4.527 0.005 0.000 0.311 662 F C -0.101 175.693 175.800 -0.010 0.000 1.135 662 F CA 0.665 58.653 58.000 -0.020 0.000 0.954 662 F CB 1.227 40.229 39.000 0.003 0.000 1.276 662 F HN 1.736 nan 8.300 nan 0.000 0.440 663 S N 1.936 116.999 115.700 -1.061 0.000 2.680 663 S HA 0.851 5.324 4.470 0.005 0.000 0.276 663 S C -1.798 172.405 174.600 -0.661 0.000 1.189 663 S CA 0.007 57.846 58.200 -0.601 0.000 0.909 663 S CB 1.580 64.609 63.200 -0.285 0.000 1.227 663 S HN 1.000 nan 8.310 nan 0.000 0.501 664 T N 0.062 114.433 114.554 -0.306 0.000 3.047 664 T HA 0.717 5.070 4.350 0.005 0.000 0.340 664 T C -0.651 173.983 174.700 -0.110 0.000 1.421 664 T CA -0.042 61.941 62.100 -0.196 0.000 1.090 664 T CB 1.348 70.146 68.868 -0.117 0.000 1.292 664 T HN 1.428 nan 8.240 nan 0.000 0.480 665 G N 0.967 109.719 108.800 -0.080 0.000 2.673 665 G HA2 0.508 4.471 3.960 0.005 0.000 0.292 665 G HA3 0.508 4.471 3.960 0.005 0.000 0.292 665 G C 0.721 175.602 174.900 -0.032 0.000 1.450 665 G CA -0.682 44.387 45.100 -0.052 0.000 0.837 665 G HN 0.722 nan 8.290 nan 0.000 0.505 666 I N 0.232 120.790 120.570 -0.020 0.000 2.271 666 I HA -0.254 3.920 4.170 0.005 0.000 0.252 666 I C 2.485 178.599 176.117 -0.006 0.000 1.043 666 I CA 2.203 63.498 61.300 -0.008 0.000 1.337 666 I CB -1.347 36.649 38.000 -0.006 0.000 1.024 666 I HN 0.620 nan 8.210 nan 0.000 0.437 667 G N 0.021 108.813 108.800 -0.013 0.000 2.479 667 G HA2 -0.212 3.751 3.960 0.005 0.000 0.220 667 G HA3 -0.212 3.751 3.960 0.005 0.000 0.220 667 G C 1.299 176.197 174.900 -0.004 0.000 1.115 667 G CA 1.010 46.105 45.100 -0.009 0.000 0.757 667 G HN 0.536 nan 8.290 nan 0.000 0.560 668 D N -0.085 120.311 120.400 -0.008 0.000 2.355 668 D HA -0.039 4.604 4.640 0.005 0.000 0.218 668 D C 2.362 178.673 176.300 0.018 0.000 1.004 668 D CA 1.322 55.324 54.000 0.003 0.000 0.880 668 D CB 0.184 40.979 40.800 -0.007 0.000 0.911 668 D HN 0.506 nan 8.370 nan 0.000 0.528 669 T N -1.686 112.878 114.554 0.017 0.000 3.069 669 T HA 0.222 4.575 4.350 0.005 0.000 0.252 669 T C 0.966 175.683 174.700 0.028 0.000 1.053 669 T CA -0.261 61.855 62.100 0.027 0.000 0.964 669 T CB 0.066 68.952 68.868 0.029 0.000 1.005 669 T HN -0.020 nan 8.240 nan 0.000 0.532 670 I N 1.498 122.081 120.570 0.022 0.000 2.377 670 I HA 0.758 4.931 4.170 0.005 0.000 0.293 670 I C 0.083 176.214 176.117 0.023 0.000 0.987 670 I CA -1.542 59.770 61.300 0.021 0.000 1.185 670 I CB 1.587 39.595 38.000 0.015 0.000 1.341 670 I HN 0.052 nan 8.210 nan 0.000 0.455 671 A N 3.518 126.353 122.820 0.025 0.000 2.320 671 A HA 0.396 4.719 4.320 0.005 0.000 0.334 671 A C -0.457 177.141 177.584 0.024 0.000 1.147 671 A CA -0.569 51.485 52.037 0.028 0.000 0.820 671 A CB 0.832 19.854 19.000 0.035 0.000 1.218 671 A HN 0.794 nan 8.150 nan 0.000 0.482 672 D N 1.351 121.765 120.400 0.024 0.000 3.139 672 D HA 0.066 4.710 4.640 0.005 0.000 0.212 672 D C 1.701 178.013 176.300 0.019 0.000 1.084 672 D CA 1.776 55.788 54.000 0.020 0.000 0.777 672 D CB 0.416 41.229 40.800 0.022 0.000 1.156 672 D HN 0.698 nan 8.370 nan 0.000 0.537 673 G N 5.341 114.151 108.800 0.016 0.000 2.783 673 G HA2 -0.308 3.656 3.960 0.005 0.000 0.225 673 G HA3 -0.308 3.656 3.960 0.005 0.000 0.225 673 G C -0.556 174.354 174.900 0.016 0.000 1.191 673 G CA 1.140 46.248 45.100 0.014 0.000 0.774 673 G HN 0.622 nan 8.290 nan 0.000 0.632 674 P HA -0.054 nan 4.420 nan 0.000 0.216 674 P C 1.761 179.072 177.300 0.020 0.000 1.153 674 P CA 1.954 65.064 63.100 0.017 0.000 0.848 674 P CB -0.481 31.229 31.700 0.015 0.000 0.787 675 T N -0.179 114.388 114.554 0.022 0.000 2.869 675 T HA -0.135 4.218 4.350 0.005 0.000 0.270 675 T C 1.880 176.597 174.700 0.028 0.000 1.082 675 T CA 1.201 63.317 62.100 0.027 0.000 1.123 675 T CB -0.413 68.473 68.868 0.030 0.000 0.856 675 T HN 0.023 nan 8.240 nan 0.000 0.499 676 M N 0.403 120.018 119.600 0.024 0.000 2.102 676 M HA 0.064 4.547 4.480 0.005 0.000 0.259 676 M C 2.469 178.782 176.300 0.023 0.000 1.083 676 M CA 1.314 56.628 55.300 0.023 0.000 1.141 676 M CB -0.948 31.663 32.600 0.019 0.000 1.318 676 M HN 0.134 nan 8.290 nan 0.000 0.421 677 R N 0.643 121.155 120.500 0.020 0.000 2.112 677 R HA -0.241 4.102 4.340 0.005 0.000 0.242 677 R C 2.011 178.324 176.300 0.022 0.000 1.137 677 R CA 2.296 58.407 56.100 0.020 0.000 0.944 677 R CB -0.411 29.899 30.300 0.017 0.000 0.857 677 R HN 0.445 nan 8.270 nan 0.000 0.435 678 E N 0.023 120.236 120.200 0.022 0.000 2.219 678 E HA -0.216 4.137 4.350 0.005 0.000 0.198 678 E C 1.813 178.430 176.600 0.029 0.000 0.998 678 E CA 1.412 57.827 56.400 0.024 0.000 0.818 678 E CB -0.043 29.672 29.700 0.025 0.000 0.741 678 E HN 0.492 nan 8.360 nan 0.000 0.477 679 I N -0.157 120.433 120.570 0.032 0.000 2.296 679 I HA -0.173 4.000 4.170 0.005 0.000 0.242 679 I C 2.305 178.446 176.117 0.040 0.000 1.087 679 I CA 1.059 62.383 61.300 0.039 0.000 1.393 679 I CB -0.400 37.623 38.000 0.039 0.000 1.093 679 I HN 0.078 nan 8.210 nan 0.000 0.421 680 T N 1.193 115.768 114.554 0.035 0.000 2.760 680 T HA -0.247 4.106 4.350 0.005 0.000 0.269 680 T C 1.543 176.265 174.700 0.035 0.000 1.047 680 T CA 2.008 64.129 62.100 0.037 0.000 1.139 680 T CB -0.450 68.436 68.868 0.029 0.000 0.855 680 T HN 0.613 nan 8.240 nan 0.000 0.471 681 E N 0.272 120.489 120.200 0.028 0.000 2.318 681 E HA 0.006 4.360 4.350 0.005 0.000 0.193 681 E C 1.747 178.357 176.600 0.018 0.000 0.998 681 E CA 0.714 57.126 56.400 0.020 0.000 0.859 681 E CB -0.413 29.296 29.700 0.014 0.000 0.812 681 E HN 0.264 nan 8.360 nan 0.000 0.492 682 T N 1.249 115.819 114.554 0.026 0.000 3.035 682 T HA 0.060 4.414 4.350 0.005 0.000 0.268 682 T C 1.732 176.450 174.700 0.031 0.000 1.109 682 T CA 0.660 62.776 62.100 0.026 0.000 1.119 682 T CB -0.058 68.834 68.868 0.039 0.000 0.900 682 T HN 0.193 nan 8.240 nan 0.000 0.503 683 I N 0.956 121.554 120.570 0.047 0.000 2.364 683 I HA 0.033 4.206 4.170 0.005 0.000 0.241 683 I C 2.956 179.087 176.117 0.023 0.000 1.082 683 I CA 0.686 62.026 61.300 0.067 0.000 1.401 683 I CB -0.601 37.471 38.000 0.120 0.000 1.126 683 I HN 0.119 nan 8.210 nan 0.000 0.429 684 A N 1.782 124.616 122.820 0.024 0.000 1.903 684 A HA -0.309 4.014 4.320 0.005 0.000 0.219 684 A C 2.191 179.762 177.584 -0.022 0.000 1.191 684 A CA 2.532 54.572 52.037 0.006 0.000 0.638 684 A CB -1.020 17.987 19.000 0.012 0.000 0.823 684 A HN 0.684 nan 8.150 nan 0.000 0.451 685 E N -0.229 119.956 120.200 -0.026 0.000 2.204 685 E HA 0.024 4.377 4.350 0.005 0.000 0.195 685 E C 1.715 178.258 176.600 -0.096 0.000 0.990 685 E CA 1.213 57.581 56.400 -0.052 0.000 0.821 685 E CB -0.364 29.311 29.700 -0.042 0.000 0.750 685 E HN 0.495 nan 8.360 nan 0.000 0.477 686 A N 0.724 123.491 122.820 -0.088 0.000 2.123 686 A HA 0.033 4.357 4.320 0.005 0.000 0.214 686 A C 1.928 179.423 177.584 -0.149 0.000 1.152 686 A CA 0.634 52.589 52.037 -0.137 0.000 0.728 686 A CB -0.096 18.852 19.000 -0.087 0.000 0.814 686 A HN 0.117 nan 8.150 nan 0.000 0.464 687 K N -0.082 120.255 120.400 -0.105 0.000 2.067 687 K HA 0.008 4.331 4.320 0.005 0.000 0.203 687 K C 1.855 178.414 176.600 -0.068 0.000 1.048 687 K CA 1.115 57.349 56.287 -0.089 0.000 0.954 687 K CB -0.108 32.364 32.500 -0.047 0.000 0.737 687 K HN 0.292 nan 8.250 nan 0.000 0.444 688 K N 1.157 121.519 120.400 -0.065 0.000 2.147 688 K HA -0.134 4.189 4.320 0.005 0.000 0.205 688 K C 1.882 178.430 176.600 -0.087 0.000 1.049 688 K CA 1.017 57.272 56.287 -0.054 0.000 0.936 688 K CB 0.048 32.520 32.500 -0.046 0.000 0.722 688 K HN -0.011 nan 8.250 nan 0.000 0.446 689 K N 0.684 120.982 120.400 -0.171 0.000 2.574 689 K HA -0.066 4.257 4.320 0.005 0.000 0.193 689 K C 1.332 177.784 176.600 -0.247 0.000 1.035 689 K CA 0.393 56.493 56.287 -0.312 0.000 0.982 689 K CB 0.350 32.509 32.500 -0.568 0.000 0.795 689 K HN -0.050 nan 8.250 nan 0.000 0.491 690 V N 0.154 120.027 119.914 -0.069 0.000 2.721 690 V HA -0.128 3.995 4.120 0.005 0.000 0.236 690 V C 1.781 177.950 176.094 0.126 0.000 1.116 690 V CA 0.648 63.010 62.300 0.102 0.000 1.148 690 V CB -0.211 31.650 31.823 0.063 0.000 0.886 690 V HN 0.286 nan 8.190 nan 0.000 0.490 691 L N 1.171 122.433 121.223 0.066 0.000 2.034 691 L HA -0.292 4.051 4.340 0.005 0.000 0.217 691 L C 1.893 178.805 176.870 0.069 0.000 1.077 691 L CA 2.620 57.502 54.840 0.069 0.000 0.769 691 L CB -1.078 40.999 42.059 0.031 0.000 0.890 691 L HN 0.370 nan 8.230 nan 0.000 0.435 692 D N -0.474 119.954 120.400 0.047 0.000 2.103 692 D HA -0.199 4.444 4.640 0.005 0.000 0.190 692 D C 2.213 178.560 176.300 0.078 0.000 0.997 692 D CA 2.071 56.097 54.000 0.042 0.000 0.833 692 D CB -0.500 40.311 40.800 0.020 0.000 0.961 692 D HN 0.329 nan 8.370 nan 0.000 0.447 693 V N 0.545 120.548 119.914 0.148 0.000 2.759 693 V HA -0.173 3.950 4.120 0.005 0.000 0.256 693 V C 2.256 178.471 176.094 0.202 0.000 1.080 693 V CA 1.675 64.104 62.300 0.215 0.000 1.101 693 V CB -0.706 31.335 31.823 0.365 0.000 0.698 693 V HN 0.238 nan 8.190 nan 0.000 0.477 694 T N -0.364 114.314 114.554 0.206 0.000 2.737 694 T HA -0.152 4.201 4.350 0.005 0.000 0.265 694 T C 1.966 176.610 174.700 -0.094 0.000 1.038 694 T CA 1.283 63.440 62.100 0.096 0.000 1.144 694 T CB -0.125 68.855 68.868 0.186 0.000 0.866 694 T HN 0.444 nan 8.240 nan 0.000 0.434 695 K N 0.883 121.267 120.400 -0.026 0.000 2.062 695 K HA -0.012 4.311 4.320 0.005 0.000 0.205 695 K C 2.243 178.805 176.600 -0.063 0.000 1.051 695 K CA 0.807 57.064 56.287 -0.050 0.000 0.941 695 K CB -0.095 32.395 32.500 -0.018 0.000 0.719 695 K HN 0.384 nan 8.250 nan 0.000 0.440 696 E N 0.174 120.356 120.200 -0.031 0.000 2.510 696 E HA -0.138 4.215 4.350 0.005 0.000 0.202 696 E C 0.904 177.463 176.600 -0.068 0.000 1.072 696 E CA 0.437 56.822 56.400 -0.025 0.000 0.883 696 E CB 0.168 29.880 29.700 0.020 0.000 0.818 696 E HN 0.311 nan 8.360 nan 0.000 0.548 697 A N -0.246 122.483 122.820 -0.152 0.000 2.226 697 A HA 0.112 4.435 4.320 0.005 0.000 0.207 697 A C 1.474 178.908 177.584 -0.251 0.000 1.293 697 A CA -0.270 51.619 52.037 -0.248 0.000 0.968 697 A CB 0.349 19.042 19.000 -0.512 0.000 1.044 697 A HN 0.174 nan 8.150 nan 0.000 0.493 698 Q N -0.208 119.460 119.800 -0.220 0.000 2.329 698 Q HA 0.313 4.656 4.340 0.005 0.000 0.208 698 Q C 1.136 177.070 176.000 -0.111 0.000 0.934 698 Q CA 0.447 56.145 55.803 -0.176 0.000 0.951 698 Q CB 0.140 28.788 28.738 -0.150 0.000 1.017 698 Q HN 0.622 nan 8.270 nan 0.000 0.490 699 A N 0.366 123.126 122.820 -0.100 0.000 2.312 699 A HA 0.102 4.425 4.320 0.005 0.000 0.215 699 A C 0.846 178.395 177.584 -0.059 0.000 1.256 699 A CA 0.357 52.356 52.037 -0.065 0.000 0.966 699 A CB 0.334 19.304 19.000 -0.049 0.000 1.053 699 A HN 0.416 nan 8.150 nan 0.000 0.510 700 N N -1.583 117.071 118.700 -0.076 0.000 2.948 700 N HA -0.143 4.600 4.740 0.005 0.000 0.239 700 N C 0.045 175.530 175.510 -0.041 0.000 0.954 700 N CA 1.112 54.126 53.050 -0.061 0.000 0.941 700 N CB -2.097 36.362 38.487 -0.046 0.000 1.101 700 N HN 0.376 nan 8.380 nan 0.000 0.579 701 L N 0.186 121.385 121.223 -0.040 0.000 2.777 701 L HA 0.241 4.584 4.340 0.005 0.000 0.244 701 L C 0.277 177.141 176.870 -0.011 0.000 1.235 701 L CA 0.294 55.122 54.840 -0.021 0.000 1.062 701 L CB -0.259 41.790 42.059 -0.017 0.000 1.340 701 L HN 0.185 nan 8.230 nan 0.000 0.439 702 L N -0.202 121.012 121.223 -0.015 0.000 2.362 702 L HA 0.365 4.708 4.340 0.005 0.000 0.275 702 L C 0.128 177.004 176.870 0.010 0.000 0.998 702 L CA -0.385 54.457 54.840 0.003 0.000 0.820 702 L CB 2.368 44.429 42.059 0.003 0.000 1.270 702 L HN -0.025 nan 8.230 nan 0.000 0.415 703 T N 2.958 117.524 114.554 0.021 0.000 2.784 703 T HA 0.209 4.562 4.350 0.005 0.000 0.291 703 T C 0.445 175.164 174.700 0.032 0.000 0.942 703 T CA -0.369 61.745 62.100 0.024 0.000 1.161 703 T CB 0.740 69.624 68.868 0.028 0.000 0.885 703 T HN 0.613 nan 8.240 nan 0.000 0.534 704 A N 5.223 128.061 122.820 0.030 0.000 2.444 704 A HA 0.222 4.546 4.320 0.005 0.000 0.287 704 A C 0.622 178.237 177.584 0.052 0.000 1.195 704 A CA -0.439 51.620 52.037 0.036 0.000 0.858 704 A CB -0.182 18.835 19.000 0.028 0.000 1.117 704 A HN 0.797 nan 8.150 nan 0.000 0.521 705 K N 2.225 122.657 120.400 0.054 0.000 2.489 705 K HA -0.004 4.319 4.320 0.005 0.000 0.278 705 K C 0.085 176.742 176.600 0.096 0.000 1.000 705 K CA -0.032 56.299 56.287 0.073 0.000 1.012 705 K CB 0.246 32.780 32.500 0.057 0.000 0.903 705 K HN 0.811 nan 8.250 nan 0.000 0.485 706 H N 0.863 119.941 119.070 0.013 0.000 3.167 706 H HA -0.035 4.524 4.556 0.005 0.000 0.306 706 H C 1.317 176.652 175.328 0.011 0.000 0.965 706 H CA 1.983 58.037 56.048 0.010 0.000 1.408 706 H CB 0.087 29.854 29.762 0.009 0.000 1.406 706 H HN 0.827 nan 8.280 nan 0.000 0.576 707 G N 3.493 112.085 108.800 -0.346 0.000 2.176 707 G HA2 -0.247 3.716 3.960 0.005 0.000 0.253 707 G HA3 -0.247 3.716 3.960 0.005 0.000 0.253 707 G C 0.071 174.909 174.900 -0.103 0.000 0.979 707 G CA 0.314 45.266 45.100 -0.248 0.000 0.641 707 G HN 0.638 nan 8.290 nan 0.000 0.530 708 M N 0.867 120.433 119.600 -0.057 0.000 2.457 708 M HA 0.419 4.903 4.480 0.005 0.000 0.300 708 M C 0.334 176.631 176.300 -0.005 0.000 1.141 708 M CA -0.647 54.640 55.300 -0.022 0.000 0.901 708 M CB 2.154 34.753 32.600 -0.003 0.000 1.687 708 M HN 0.036 nan 8.290 nan 0.000 0.449 709 T N 1.756 116.312 114.554 0.003 0.000 2.855 709 T HA 0.070 4.424 4.350 0.005 0.000 0.322 709 T C 1.361 176.079 174.700 0.030 0.000 1.088 709 T CA -0.236 61.873 62.100 0.015 0.000 1.104 709 T CB 0.448 69.330 68.868 0.024 0.000 0.996 709 T HN 0.431 nan 8.240 nan 0.000 0.549 710 L N 1.347 122.586 121.223 0.027 0.000 2.127 710 L HA -0.037 4.307 4.340 0.005 0.000 0.211 710 L C 2.614 179.524 176.870 0.066 0.000 1.089 710 L CA 1.691 56.548 54.840 0.029 0.000 0.757 710 L CB -0.726 41.332 42.059 -0.001 0.000 0.899 710 L HN 0.493 nan 8.230 nan 0.000 0.434 711 R N -0.208 120.338 120.500 0.077 0.000 2.055 711 R HA -0.093 4.250 4.340 0.005 0.000 0.228 711 R C 2.274 178.673 176.300 0.165 0.000 1.143 711 R CA 1.225 57.416 56.100 0.151 0.000 0.945 711 R CB -0.259 30.118 30.300 0.128 0.000 0.841 711 R HN 0.360 nan 8.270 nan 0.000 0.429 712 E N -0.273 119.979 120.200 0.087 0.000 2.147 712 E HA -0.224 4.129 4.350 0.005 0.000 0.199 712 E C 1.902 178.526 176.600 0.040 0.000 1.005 712 E CA 1.691 58.118 56.400 0.046 0.000 0.810 712 E CB -0.066 29.645 29.700 0.018 0.000 0.736 712 E HN 0.248 nan 8.360 nan 0.000 0.460 713 S N 0.291 116.030 115.700 0.064 0.000 2.406 713 S HA -0.090 4.383 4.470 0.005 0.000 0.228 713 S C 1.462 176.123 174.600 0.100 0.000 1.020 713 S CA 0.419 58.653 58.200 0.056 0.000 0.965 713 S CB -0.207 63.027 63.200 0.057 0.000 0.798 713 S HN 0.279 nan 8.310 nan 0.000 0.488 714 F N 3.224 123.163 119.950 -0.018 0.000 2.051 714 F HA -0.105 4.425 4.527 0.005 0.000 0.296 714 F C 2.201 177.989 175.800 -0.019 0.000 1.122 714 F CA 1.506 59.499 58.000 -0.012 0.000 1.201 714 F CB -0.767 38.235 39.000 0.004 0.000 0.978 714 F HN 0.100 nan 8.300 nan 0.000 0.472 715 E N 0.114 120.162 120.200 -0.254 0.000 2.038 715 E HA -0.290 4.063 4.350 0.005 0.000 0.195 715 E C 2.100 178.533 176.600 -0.277 0.000 1.000 715 E CA 1.509 57.677 56.400 -0.388 0.000 0.803 715 E CB -0.989 28.593 29.700 -0.198 0.000 0.750 715 E HN 0.511 nan 8.360 nan 0.000 0.448 716 D N 0.883 121.184 120.400 -0.164 0.000 2.200 716 D HA -0.212 4.431 4.640 0.005 0.000 0.192 716 D C 1.488 177.647 176.300 -0.235 0.000 1.008 716 D CA 1.161 55.070 54.000 -0.152 0.000 0.872 716 D CB -0.023 40.721 40.800 -0.094 0.000 0.923 716 D HN 0.125 nan 8.370 nan 0.000 0.447 717 N N -0.148 118.376 118.700 -0.294 0.000 2.173 717 N HA -0.094 4.649 4.740 0.005 0.000 0.184 717 N C 2.210 177.332 175.510 -0.646 0.000 1.025 717 N CA 0.638 53.367 53.050 -0.536 0.000 0.852 717 N CB -0.445 37.771 38.487 -0.452 0.000 0.998 717 N HN 0.135 nan 8.380 nan 0.000 0.427 718 V N 1.858 121.525 119.914 -0.412 0.000 2.215 718 V HA -0.258 3.865 4.120 0.005 0.000 0.249 718 V C 2.604 178.590 176.094 -0.179 0.000 1.054 718 V CA 1.696 63.836 62.300 -0.266 0.000 1.012 718 V CB -0.954 30.597 31.823 -0.454 0.000 0.639 718 V HN 0.026 nan 8.190 nan 0.000 0.448 719 V N -0.207 119.585 119.914 -0.203 0.000 2.219 719 V HA -0.343 3.780 4.120 0.005 0.000 0.248 719 V C 2.538 178.583 176.094 -0.082 0.000 1.053 719 V CA 2.568 64.797 62.300 -0.119 0.000 1.009 719 V CB -0.851 30.905 31.823 -0.110 0.000 0.636 719 V HN 0.463 nan 8.190 nan 0.000 0.445 720 R N -1.354 119.057 120.500 -0.150 0.000 2.316 720 R HA -0.167 4.176 4.340 0.005 0.000 0.232 720 R C 2.074 178.363 176.300 -0.018 0.000 1.137 720 R CA 1.479 57.506 56.100 -0.122 0.000 1.012 720 R CB -0.229 29.942 30.300 -0.214 0.000 0.859 720 R HN 0.602 nan 8.270 nan 0.000 0.474 721 F N -0.875 119.041 119.950 -0.056 0.000 2.243 721 F HA -0.059 4.471 4.527 0.005 0.000 0.287 721 F C 2.038 177.793 175.800 -0.075 0.000 1.067 721 F CA -0.066 57.900 58.000 -0.058 0.000 1.304 721 F CB -0.042 38.912 39.000 -0.076 0.000 1.087 721 F HN -0.067 nan 8.300 nan 0.000 0.513 722 L N 0.373 121.641 121.223 0.076 0.000 1.989 722 L HA -0.302 4.041 4.340 0.005 0.000 0.211 722 L C 2.101 179.029 176.870 0.096 0.000 1.071 722 L CA 1.358 56.142 54.840 -0.095 0.000 0.749 722 L CB -0.881 40.990 42.059 -0.312 0.000 0.890 722 L HN 0.118 nan 8.230 nan 0.000 0.431 723 N N -0.075 118.696 118.700 0.118 0.000 2.043 723 N HA -0.255 4.488 4.740 0.005 0.000 0.193 723 N C 1.805 177.392 175.510 0.129 0.000 1.037 723 N CA 1.413 54.544 53.050 0.135 0.000 0.851 723 N CB -0.345 38.195 38.487 0.089 0.000 1.027 723 N HN 0.367 nan 8.380 nan 0.000 0.422 724 E N 0.022 120.296 120.200 0.124 0.000 2.333 724 E HA -0.149 4.204 4.350 0.005 0.000 0.200 724 E C 1.452 178.125 176.600 0.121 0.000 1.010 724 E CA 0.963 57.440 56.400 0.129 0.000 0.841 724 E CB 0.072 29.872 29.700 0.166 0.000 0.757 724 E HN 0.412 nan 8.360 nan 0.000 0.508 725 A N 0.535 123.427 122.820 0.120 0.000 1.887 725 A HA -0.010 4.313 4.320 0.005 0.000 0.210 725 A C 2.033 179.701 177.584 0.140 0.000 1.221 725 A CA 0.692 52.795 52.037 0.110 0.000 0.635 725 A CB -0.319 18.730 19.000 0.083 0.000 0.881 725 A HN 0.118 nan 8.150 nan 0.000 0.456 726 R N 0.195 120.805 120.500 0.183 0.000 2.119 726 R HA -0.243 4.100 4.340 0.005 0.000 0.246 726 R C 1.370 177.724 176.300 0.091 0.000 1.146 726 R CA 2.369 58.558 56.100 0.147 0.000 0.962 726 R CB -0.499 29.890 30.300 0.148 0.000 0.863 726 R HN 0.546 nan 8.270 nan 0.000 0.442 727 D N 0.048 120.520 120.400 0.120 0.000 2.075 727 D HA -0.192 4.451 4.640 0.005 0.000 0.196 727 D C 1.761 178.207 176.300 0.244 0.000 0.985 727 D CA 2.005 56.113 54.000 0.179 0.000 0.834 727 D CB -0.119 40.805 40.800 0.207 0.000 0.987 727 D HN 0.377 nan 8.370 nan 0.000 0.452 728 K N 0.764 121.270 120.400 0.177 0.000 2.442 728 K HA 0.031 4.354 4.320 0.005 0.000 0.198 728 K C 1.795 178.477 176.600 0.135 0.000 1.044 728 K CA 1.101 57.478 56.287 0.149 0.000 0.948 728 K CB 0.014 32.574 32.500 0.101 0.000 0.762 728 K HN 0.096 nan 8.250 nan 0.000 0.472 729 A N 1.683 124.579 122.820 0.127 0.000 1.873 729 A HA 0.020 4.343 4.320 0.005 0.000 0.215 729 A C 2.497 180.148 177.584 0.113 0.000 1.186 729 A CA 1.517 53.613 52.037 0.099 0.000 0.616 729 A CB -1.263 17.786 19.000 0.083 0.000 0.823 729 A HN 0.515 nan 8.150 nan 0.000 0.442 730 G N -0.899 107.985 108.800 0.141 0.000 2.404 730 G HA2 -0.218 3.745 3.960 0.005 0.000 0.215 730 G HA3 -0.218 3.745 3.960 0.005 0.000 0.215 730 G C 1.631 176.734 174.900 0.338 0.000 1.174 730 G CA 0.777 45.991 45.100 0.190 0.000 0.780 730 G HN 0.495 nan 8.290 nan 0.000 0.537 731 R N -0.289 120.453 120.500 0.403 0.000 2.388 731 R HA -0.025 4.318 4.340 0.005 0.000 0.233 731 R C 2.226 178.596 176.300 0.116 0.000 1.156 731 R CA 0.585 56.802 56.100 0.196 0.000 1.036 731 R CB -0.217 30.143 30.300 0.099 0.000 0.847 731 R HN 0.401 nan 8.270 nan 0.000 0.483 732 L N -1.735 119.564 121.223 0.126 0.000 2.130 732 L HA 0.046 4.389 4.340 0.005 0.000 0.200 732 L C 2.502 179.421 176.870 0.082 0.000 1.075 732 L CA 0.842 55.732 54.840 0.083 0.000 0.768 732 L CB -0.516 41.586 42.059 0.072 0.000 0.933 732 L HN 0.156 nan 8.230 nan 0.000 0.451 733 A N 0.160 123.039 122.820 0.098 0.000 1.898 733 A HA -0.240 4.083 4.320 0.005 0.000 0.216 733 A C 2.183 179.828 177.584 0.102 0.000 1.181 733 A CA 1.651 53.740 52.037 0.087 0.000 0.620 733 A CB -0.559 18.490 19.000 0.082 0.000 0.819 733 A HN 0.477 nan 8.150 nan 0.000 0.442 734 E N -0.149 120.142 120.200 0.152 0.000 2.219 734 E HA -0.156 4.197 4.350 0.005 0.000 0.198 734 E C 1.151 177.796 176.600 0.075 0.000 0.998 734 E CA 1.586 58.074 56.400 0.148 0.000 0.818 734 E CB -0.055 29.762 29.700 0.196 0.000 0.741 734 E HN 0.357 nan 8.360 nan 0.000 0.477 735 V N 1.205 121.154 119.914 0.058 0.000 3.660 735 V HA -0.006 4.117 4.120 0.005 0.000 0.276 735 V C 1.817 177.934 176.094 0.037 0.000 1.317 735 V CA 0.739 63.059 62.300 0.034 0.000 1.097 735 V CB 0.035 31.870 31.823 0.021 0.000 0.863 735 V HN 0.343 nan 8.190 nan 0.000 0.438 736 N N 0.488 119.216 118.700 0.046 0.000 2.373 736 N HA 0.090 4.833 4.740 0.005 0.000 0.181 736 N C 0.539 176.074 175.510 0.040 0.000 1.082 736 N CA 0.056 53.130 53.050 0.040 0.000 0.885 736 N CB 0.351 38.862 38.487 0.040 0.000 0.977 736 N HN 0.374 nan 8.380 nan 0.000 0.462 737 L N 3.277 124.529 121.223 0.048 0.000 2.325 737 L HA 0.172 4.515 4.340 0.005 0.000 0.284 737 L C 0.357 177.254 176.870 0.046 0.000 1.089 737 L CA -0.318 54.551 54.840 0.049 0.000 0.836 737 L CB 0.728 42.823 42.059 0.060 0.000 1.184 737 L HN -0.031 nan 8.230 nan 0.000 0.444 738 K N 1.995 122.419 120.400 0.040 0.000 2.344 738 K HA -0.036 4.288 4.320 0.005 0.000 0.260 738 K C 0.066 176.694 176.600 0.047 0.000 0.988 738 K CA -0.353 55.958 56.287 0.039 0.000 0.909 738 K CB 0.532 33.052 32.500 0.035 0.000 0.968 738 K HN 0.401 nan 8.250 nan 0.000 0.505 739 D N 0.876 121.304 120.400 0.047 0.000 2.348 739 D HA -0.015 4.628 4.640 0.005 0.000 0.248 739 D C 0.850 177.191 176.300 0.068 0.000 1.142 739 D CA 0.519 54.552 54.000 0.055 0.000 0.904 739 D CB -0.230 40.599 40.800 0.048 0.000 0.901 739 D HN 0.414 nan 8.370 nan 0.000 0.523 740 L N -2.878 118.383 121.223 0.064 0.000 2.717 740 L HA 0.301 4.644 4.340 0.005 0.000 0.239 740 L C 0.506 177.418 176.870 0.069 0.000 1.086 740 L CA -0.432 54.451 54.840 0.070 0.000 0.897 740 L CB -0.654 41.437 42.059 0.052 0.000 1.214 740 L HN -0.268 nan 8.230 nan 0.000 0.508 741 N N 1.597 120.333 118.700 0.060 0.000 2.411 741 N HA -0.052 4.691 4.740 0.005 0.000 0.261 741 N C 0.900 176.458 175.510 0.079 0.000 1.248 741 N CA 0.241 53.322 53.050 0.052 0.000 0.885 741 N CB 0.398 38.916 38.487 0.052 0.000 1.062 741 N HN 0.238 nan 8.380 nan 0.000 0.471 742 N N 2.852 121.581 118.700 0.048 0.000 2.025 742 N HA -0.171 4.572 4.740 0.005 0.000 0.194 742 N C 1.447 177.060 175.510 0.171 0.000 1.044 742 N CA 1.183 54.287 53.050 0.090 0.000 0.851 742 N CB -0.413 37.969 38.487 -0.174 0.000 1.036 742 N HN 0.329 nan 8.380 nan 0.000 0.422 743 V N 2.058 122.030 119.914 0.096 0.000 2.278 743 V HA -0.282 3.842 4.120 0.005 0.000 0.251 743 V C 2.585 178.750 176.094 0.118 0.000 1.062 743 V CA 1.791 64.155 62.300 0.106 0.000 1.038 743 V CB -0.537 31.328 31.823 0.070 0.000 0.646 743 V HN 0.389 nan 8.190 nan 0.000 0.447 744 K N -0.596 119.867 120.400 0.106 0.000 2.026 744 K HA -0.239 4.084 4.320 0.005 0.000 0.208 744 K C 2.292 178.955 176.600 0.105 0.000 1.048 744 K CA 1.771 58.117 56.287 0.099 0.000 0.929 744 K CB -0.198 32.352 32.500 0.085 0.000 0.713 744 K HN 0.520 nan 8.250 nan 0.000 0.439 745 Q N 0.083 119.963 119.800 0.133 0.000 2.062 745 Q HA -0.245 4.098 4.340 0.005 0.000 0.209 745 Q C 2.233 178.292 176.000 0.099 0.000 0.996 745 Q CA 2.476 58.359 55.803 0.133 0.000 0.859 745 Q CB -0.153 28.721 28.738 0.226 0.000 0.920 745 Q HN 0.427 nan 8.270 nan 0.000 0.415 746 M N -0.329 119.360 119.600 0.148 0.000 2.080 746 M HA -0.188 4.296 4.480 0.005 0.000 0.260 746 M C 2.269 178.609 176.300 0.067 0.000 1.068 746 M CA 1.247 56.604 55.300 0.096 0.000 1.109 746 M CB -0.374 32.317 32.600 0.152 0.000 1.342 746 M HN 0.113 nan 8.290 nan 0.000 0.405 747 V N 0.507 120.471 119.914 0.082 0.000 2.453 747 V HA -0.304 3.819 4.120 0.005 0.000 0.252 747 V C 2.309 178.434 176.094 0.052 0.000 1.068 747 V CA 1.803 64.146 62.300 0.072 0.000 1.070 747 V CB -0.747 31.129 31.823 0.089 0.000 0.664 747 V HN 0.531 nan 8.190 nan 0.000 0.461 748 M N -0.303 119.324 119.600 0.046 0.000 2.193 748 M HA -0.025 4.458 4.480 0.005 0.000 0.265 748 M C 2.431 178.737 176.300 0.010 0.000 1.071 748 M CA 1.769 57.085 55.300 0.027 0.000 1.140 748 M CB -0.527 32.090 32.600 0.028 0.000 1.369 748 M HN 0.379 nan 8.290 nan 0.000 0.423 749 A N 0.159 122.980 122.820 0.000 0.000 1.933 749 A HA 0.087 4.411 4.320 0.005 0.000 0.218 749 A C 1.890 179.468 177.584 -0.010 0.000 1.175 749 A CA 1.687 53.711 52.037 -0.022 0.000 0.628 749 A CB -1.008 17.961 19.000 -0.051 0.000 0.814 749 A HN 0.678 nan 8.150 nan 0.000 0.444 750 G N -1.399 107.405 108.800 0.007 0.000 2.141 750 G HA2 -0.262 3.701 3.960 0.005 0.000 0.231 750 G HA3 -0.262 3.701 3.960 0.005 0.000 0.231 750 G C 1.103 176.011 174.900 0.014 0.000 0.984 750 G CA 1.213 46.322 45.100 0.015 0.000 0.660 750 G HN 1.513 nan 8.290 nan 0.000 0.525 751 S N -1.464 114.241 115.700 0.008 0.000 2.436 751 S HA 0.424 4.897 4.470 0.005 0.000 0.228 751 S C 0.928 175.543 174.600 0.026 0.000 1.014 751 S CA 1.567 59.773 58.200 0.009 0.000 0.950 751 S CB 0.534 63.727 63.200 -0.012 0.000 0.784 751 S HN 0.446 nan 8.310 nan 0.000 0.504 752 K N -0.314 120.108 120.400 0.037 0.000 2.660 752 K HA 0.493 4.816 4.320 0.005 0.000 0.285 752 K C -0.221 176.411 176.600 0.053 0.000 0.997 752 K CA 0.327 56.640 56.287 0.044 0.000 0.861 752 K CB 1.107 33.638 32.500 0.052 0.000 1.469 752 K HN 0.582 nan 8.250 nan 0.000 0.395 753 G N 1.152 109.981 108.800 0.048 0.000 2.967 753 G HA2 -0.145 3.818 3.960 0.005 0.000 0.684 753 G HA3 -0.145 3.818 3.960 0.005 0.000 0.684 753 G C -0.320 174.621 174.900 0.069 0.000 1.596 753 G CA 0.237 45.370 45.100 0.054 0.000 1.102 753 G HN 1.116 nan 8.290 nan 0.000 0.596 754 S N 0.938 116.685 115.700 0.078 0.000 2.806 754 S HA 0.761 5.234 4.470 0.005 0.000 0.306 754 S C 0.965 175.666 174.600 0.167 0.000 1.167 754 S CA 0.309 58.579 58.200 0.117 0.000 0.847 754 S CB 1.414 64.679 63.200 0.110 0.000 1.216 754 S HN 1.794 nan 8.310 nan 0.000 0.532 755 F N 1.774 121.744 119.950 0.034 0.000 2.021 755 F HA -0.186 4.344 4.527 0.005 0.000 0.297 755 F C 2.027 177.852 175.800 0.041 0.000 1.152 755 F CA 1.907 59.929 58.000 0.036 0.000 1.201 755 F CB -0.904 38.115 39.000 0.032 0.000 0.951 755 F HN 0.503 nan 8.300 nan 0.000 0.504 756 I N 1.075 121.435 120.570 -0.351 0.000 2.147 756 I HA -0.455 3.718 4.170 0.005 0.000 0.245 756 I C 2.261 178.246 176.117 -0.221 0.000 1.059 756 I CA 1.975 63.011 61.300 -0.439 0.000 1.320 756 I CB -1.761 36.128 38.000 -0.184 0.000 1.021 756 I HN 0.362 nan 8.210 nan 0.000 0.415 757 N N 1.082 119.739 118.700 -0.072 0.000 2.021 757 N HA -0.215 4.528 4.740 0.005 0.000 0.198 757 N C 1.977 177.489 175.510 0.002 0.000 1.041 757 N CA 1.735 54.783 53.050 -0.005 0.000 0.862 757 N CB -0.500 38.001 38.487 0.024 0.000 1.048 757 N HN 0.403 nan 8.380 nan 0.000 0.427 758 I N 1.498 122.076 120.570 0.014 0.000 2.118 758 I HA -0.313 3.860 4.170 0.005 0.000 0.241 758 I C 2.473 178.590 176.117 -0.000 0.000 1.070 758 I CA 1.311 62.636 61.300 0.042 0.000 1.327 758 I CB -0.515 37.551 38.000 0.111 0.000 1.034 758 I HN 0.098 nan 8.210 nan 0.000 0.405 759 A N 0.486 123.240 122.820 -0.110 0.000 1.837 759 A HA -0.325 3.999 4.320 0.005 0.000 0.216 759 A C 2.227 179.754 177.584 -0.096 0.000 1.210 759 A CA 2.084 54.026 52.037 -0.157 0.000 0.632 759 A CB -1.089 17.659 19.000 -0.420 0.000 0.843 759 A HN 0.497 nan 8.150 nan 0.000 0.448 760 Q N -1.311 118.429 119.800 -0.101 0.000 2.325 760 Q HA -0.202 4.141 4.340 0.005 0.000 0.211 760 Q C 2.124 178.161 176.000 0.062 0.000 0.988 760 Q CA 1.759 57.523 55.803 -0.065 0.000 0.887 760 Q CB -0.287 28.480 28.738 0.049 0.000 0.915 760 Q HN 0.751 nan 8.270 nan 0.000 0.440 761 M N -1.453 118.231 119.600 0.140 0.000 2.429 761 M HA -0.031 4.453 4.480 0.005 0.000 0.265 761 M C 1.891 178.242 176.300 0.085 0.000 1.120 761 M CA 0.923 56.339 55.300 0.194 0.000 1.173 761 M CB 0.449 33.129 32.600 0.133 0.000 1.343 761 M HN -0.010 nan 8.290 nan 0.000 0.464 762 S N -0.006 115.719 115.700 0.043 0.000 2.483 762 S HA 0.271 4.744 4.470 0.005 0.000 0.221 762 S C 1.510 176.115 174.600 0.009 0.000 1.030 762 S CA 0.508 58.725 58.200 0.029 0.000 0.925 762 S CB 0.278 63.501 63.200 0.039 0.000 0.795 762 S HN 0.433 nan 8.310 nan 0.000 0.511 763 A N 0.117 122.931 122.820 -0.010 0.000 2.579 763 A HA 0.557 4.881 4.320 0.005 0.000 0.220 763 A C 0.547 178.094 177.584 -0.061 0.000 2.352 763 A CA 0.183 52.209 52.037 -0.018 0.000 1.183 763 A CB -0.397 18.605 19.000 0.002 0.000 1.311 763 A HN 0.483 nan 8.150 nan 0.000 0.534 764 C N -0.478 118.767 119.300 -0.092 0.000 2.535 764 C HA 0.592 5.055 4.460 0.005 0.000 0.319 764 C C 1.683 176.524 174.990 -0.249 0.000 1.171 764 C CA -0.384 58.536 59.018 -0.162 0.000 1.394 764 C CB 0.495 28.178 27.740 -0.095 0.000 1.990 764 C HN 0.539 nan 8.230 nan 0.000 0.466 765 V N 5.250 124.932 119.914 -0.387 0.000 2.214 765 V HA 0.272 4.396 4.120 0.005 0.000 0.244 765 V C 1.598 177.474 176.094 -0.364 0.000 1.045 765 V CA 2.485 64.500 62.300 -0.475 0.000 0.993 765 V CB -1.151 30.262 31.823 -0.684 0.000 0.633 765 V HN 1.521 nan 8.190 nan 0.000 0.449 766 G N -1.141 107.373 108.800 -0.476 0.000 2.369 766 G HA2 0.198 4.162 3.960 0.005 0.000 0.307 766 G HA3 0.198 4.162 3.960 0.005 0.000 0.307 766 G C -1.188 173.523 174.900 -0.314 0.000 1.327 766 G CA -0.162 44.733 45.100 -0.342 0.000 0.963 766 G HN 0.445 nan 8.290 nan 0.000 0.590 767 Q N 0.300 120.123 119.800 0.039 0.000 2.344 767 Q HA 0.570 4.913 4.340 0.005 0.000 0.253 767 Q C 0.529 176.584 176.000 0.092 0.000 1.050 767 Q CA -0.129 55.797 55.803 0.205 0.000 0.912 767 Q CB 0.790 29.744 28.738 0.361 0.000 1.258 767 Q HN 0.527 nan 8.270 nan 0.000 0.443 768 Q N 1.584 121.436 119.800 0.086 0.000 2.524 768 Q HA 0.395 4.739 4.340 0.005 0.000 0.246 768 Q C -0.811 175.206 176.000 0.028 0.000 1.063 768 Q CA 0.476 56.328 55.803 0.082 0.000 0.945 768 Q CB 0.953 29.772 28.738 0.135 0.000 1.292 768 Q HN 0.851 nan 8.270 nan 0.000 0.518 769 S N -1.294 114.407 115.700 0.003 0.000 2.565 769 S HA 0.790 5.263 4.470 0.005 0.000 0.269 769 S C -1.472 173.102 174.600 -0.045 0.000 1.153 769 S CA -0.960 57.221 58.200 -0.032 0.000 0.835 769 S CB 1.095 64.280 63.200 -0.025 0.000 1.122 769 S HN 0.240 nan 8.310 nan 0.000 0.462 770 V N 1.499 121.376 119.914 -0.061 0.000 2.612 770 V HA 0.560 4.683 4.120 0.005 0.000 0.301 770 V C -0.033 176.027 176.094 -0.057 0.000 1.059 770 V CA -0.656 61.608 62.300 -0.060 0.000 0.886 770 V CB 0.765 32.547 31.823 -0.068 0.000 1.007 770 V HN 1.156 nan 8.190 nan 0.000 0.426 771 E N 3.212 123.383 120.200 -0.047 0.000 2.883 771 E HA -0.318 4.035 4.350 0.005 0.000 0.271 771 E C 1.257 177.831 176.600 -0.044 0.000 1.049 771 E CA 0.910 57.285 56.400 -0.042 0.000 0.817 771 E CB -1.216 28.459 29.700 -0.043 0.000 1.407 771 E HN 1.570 nan 8.360 nan 0.000 0.434 772 G N 0.277 109.050 108.800 -0.045 0.000 4.165 772 G HA2 -0.388 3.575 3.960 0.005 0.000 0.211 772 G HA3 -0.388 3.575 3.960 0.005 0.000 0.211 772 G C 0.011 174.874 174.900 -0.062 0.000 1.469 772 G CA 0.077 45.149 45.100 -0.047 0.000 0.964 772 G HN 0.216 nan 8.290 nan 0.000 0.613 773 K N 3.463 123.818 120.400 -0.075 0.000 2.466 773 K HA 0.306 4.629 4.320 0.005 0.000 0.278 773 K C 1.143 177.669 176.600 -0.123 0.000 1.048 773 K CA 0.202 56.426 56.287 -0.104 0.000 1.088 773 K CB 0.275 32.710 32.500 -0.109 0.000 0.884 773 K HN 0.724 nan 8.250 nan 0.000 0.478 774 R N 2.270 122.687 120.500 -0.138 0.000 2.829 774 R HA -0.064 4.279 4.340 0.005 0.000 0.267 774 R C 0.502 176.684 176.300 -0.198 0.000 0.985 774 R CA -0.543 55.469 56.100 -0.146 0.000 1.128 774 R CB -0.189 30.022 30.300 -0.149 0.000 1.010 774 R HN 0.451 nan 8.270 nan 0.000 0.449 775 I N 0.906 121.343 120.570 -0.223 0.000 3.153 775 I HA -0.223 3.950 4.170 0.005 0.000 0.330 775 I C 1.144 177.101 176.117 -0.267 0.000 1.198 775 I CA 0.846 61.980 61.300 -0.277 0.000 1.475 775 I CB -0.926 36.750 38.000 -0.540 0.000 1.295 775 I HN 0.814 nan 8.210 nan 0.000 0.540 776 A N 7.505 130.212 122.820 -0.189 0.000 2.378 776 A HA 0.605 4.928 4.320 0.005 0.000 0.293 776 A C -0.142 177.461 177.584 0.031 0.000 1.250 776 A CA -0.538 51.385 52.037 -0.190 0.000 0.915 776 A CB 0.467 19.388 19.000 -0.131 0.000 1.402 776 A HN 0.582 nan 8.150 nan 0.000 0.502 777 F N 0.719 120.638 119.950 -0.051 0.000 2.467 777 F HA 0.272 4.802 4.527 0.005 0.000 0.349 777 F C 1.637 177.453 175.800 0.026 0.000 1.182 777 F CA -0.326 57.680 58.000 0.010 0.000 1.279 777 F CB 0.571 39.585 39.000 0.023 0.000 1.626 777 F HN 0.760 nan 8.300 nan 0.000 0.596 778 G N 2.203 111.102 108.800 0.165 0.000 2.403 778 G HA2 -0.110 3.853 3.960 0.005 0.000 0.216 778 G HA3 -0.110 3.853 3.960 0.005 0.000 0.216 778 G C 0.429 175.392 174.900 0.104 0.000 1.154 778 G CA -0.026 45.098 45.100 0.040 0.000 0.784 778 G HN 0.373 nan 8.290 nan 0.000 0.538 779 F N 1.398 121.391 119.950 0.071 0.000 2.424 779 F HA 0.292 4.822 4.527 0.005 0.000 0.356 779 F C 0.591 176.380 175.800 -0.019 0.000 1.110 779 F CA -1.208 56.804 58.000 0.019 0.000 1.161 779 F CB 1.622 40.622 39.000 -0.001 0.000 1.115 779 F HN -0.279 nan 8.300 nan 0.000 0.507 780 V N 5.901 125.926 119.914 0.186 0.000 2.915 780 V HA -0.278 3.845 4.120 0.005 0.000 0.289 780 V C 0.413 176.458 176.094 -0.081 0.000 1.067 780 V CA 0.881 63.215 62.300 0.058 0.000 1.238 780 V CB -1.006 30.835 31.823 0.030 0.000 0.809 780 V HN 0.879 nan 8.190 nan 0.000 0.449 781 D N 3.233 123.532 120.400 -0.169 0.000 2.751 781 D HA -0.195 4.448 4.640 0.005 0.000 0.233 781 D C 0.503 176.015 176.300 -1.312 0.000 1.149 781 D CA 1.660 55.288 54.000 -0.620 0.000 0.682 781 D CB -0.277 40.387 40.800 -0.226 0.000 1.068 781 D HN 1.017 nan 8.370 nan 0.000 0.429 782 R N -4.186 115.552 120.500 -1.270 0.000 2.829 782 R HA 0.393 4.736 4.340 0.005 0.000 0.283 782 R C 0.285 176.679 176.300 0.158 0.000 1.013 782 R CA -0.849 54.886 56.100 -0.610 0.000 0.848 782 R CB 0.217 30.442 30.300 -0.126 0.000 1.291 782 R HN -0.213 nan 8.270 nan 0.000 0.496 783 T N 0.591 115.409 114.554 0.439 0.000 2.764 783 T HA 0.226 4.579 4.350 0.005 0.000 0.243 783 T C 0.831 175.729 174.700 0.331 0.000 1.065 783 T CA 0.643 62.995 62.100 0.420 0.000 1.219 783 T CB -0.131 69.052 68.868 0.525 0.000 0.918 783 T HN 0.265 nan 8.240 nan 0.000 0.409 784 L N 1.349 122.677 121.223 0.176 0.000 2.335 784 L HA 0.355 4.699 4.340 0.005 0.000 0.268 784 L C -1.527 175.417 176.870 0.124 0.000 1.016 784 L CA -2.345 52.541 54.840 0.077 0.000 0.805 784 L CB 1.004 42.744 42.059 -0.532 0.000 1.311 784 L HN 0.030 nan 8.230 nan 0.000 0.456 785 P HA -0.100 nan 4.420 nan 0.000 0.237 785 P C 0.740 178.083 177.300 0.072 0.000 1.178 785 P CA 1.144 64.190 63.100 -0.089 0.000 0.766 785 P CB -0.052 31.506 31.700 -0.236 0.000 0.876 786 H N -1.361 117.568 119.070 -0.236 0.000 2.556 786 H HA 0.183 4.742 4.556 0.005 0.000 0.273 786 H C 0.302 175.613 175.328 -0.028 0.000 1.030 786 H CA -0.201 55.715 56.048 -0.220 0.000 1.156 786 H CB -0.377 29.172 29.762 -0.355 0.000 1.326 786 H HN 0.222 nan 8.280 nan 0.000 0.609 787 F N 0.137 120.182 119.950 0.159 0.000 2.563 787 F HA 0.277 4.807 4.527 0.005 0.000 0.316 787 F C 0.179 176.005 175.800 0.043 0.000 1.076 787 F CA -1.434 56.632 58.000 0.109 0.000 0.921 787 F CB 1.942 41.024 39.000 0.136 0.000 1.209 787 F HN -0.149 nan 8.300 nan 0.000 0.462 788 S N 2.098 117.941 115.700 0.238 0.000 2.523 788 S HA 0.182 4.655 4.470 0.005 0.000 0.275 788 S C -0.135 174.510 174.600 0.075 0.000 1.281 788 S CA -0.900 57.366 58.200 0.109 0.000 1.050 788 S CB 0.724 63.971 63.200 0.079 0.000 0.937 788 S HN 0.430 nan 8.310 nan 0.000 0.492 789 K N 1.641 122.048 120.400 0.013 0.000 2.505 789 K HA -0.096 4.227 4.320 0.005 0.000 0.272 789 K C -0.198 176.397 176.600 -0.007 0.000 0.963 789 K CA 0.544 56.798 56.287 -0.055 0.000 0.932 789 K CB -0.094 32.370 32.500 -0.060 0.000 0.924 789 K HN 0.623 nan 8.250 nan 0.000 0.520 790 D N 0.630 121.011 120.400 -0.033 0.000 2.697 790 D HA -0.176 4.467 4.640 0.005 0.000 0.235 790 D C -0.836 175.652 176.300 0.314 0.000 1.167 790 D CA 0.972 55.096 54.000 0.206 0.000 0.656 790 D CB -0.694 40.199 40.800 0.155 0.000 1.025 790 D HN 0.405 nan 8.370 nan 0.000 0.419 791 D N -0.052 120.535 120.400 0.312 0.000 2.472 791 D HA 0.120 4.764 4.640 0.005 0.000 0.234 791 D C -0.046 176.493 176.300 0.397 0.000 1.088 791 D CA -0.591 53.571 54.000 0.270 0.000 0.882 791 D CB 0.291 41.130 40.800 0.066 0.000 1.037 791 D HN 0.130 nan 8.370 nan 0.000 0.520 792 Y N 1.313 121.742 120.300 0.215 0.000 2.490 792 Y HA 0.013 4.566 4.550 0.005 0.000 0.281 792 Y C 1.643 177.615 175.900 0.121 0.000 1.174 792 Y CA -0.205 58.024 58.100 0.214 0.000 1.295 792 Y CB -0.230 38.419 38.460 0.314 0.000 1.062 792 Y HN 0.283 nan 8.280 nan 0.000 0.522 793 S N 1.656 117.474 115.700 0.197 0.000 2.560 793 S HA -0.032 4.441 4.470 0.005 0.000 0.276 793 S C -1.255 173.367 174.600 0.037 0.000 1.350 793 S CA -0.829 57.425 58.200 0.091 0.000 1.024 793 S CB 0.862 64.077 63.200 0.025 0.000 0.864 793 S HN 0.123 nan 8.310 nan 0.000 0.536 794 P HA -0.068 nan 4.420 nan 0.000 0.217 794 P C 0.610 177.992 177.300 0.138 0.000 1.151 794 P CA 1.202 64.309 63.100 0.013 0.000 0.828 794 P CB -0.157 31.461 31.700 -0.138 0.000 0.788 795 E N -0.126 120.143 120.200 0.115 0.000 2.515 795 E HA -0.056 4.297 4.350 0.005 0.000 0.201 795 E C 1.939 178.651 176.600 0.186 0.000 1.071 795 E CA 0.761 57.269 56.400 0.180 0.000 0.880 795 E CB -0.527 29.231 29.700 0.098 0.000 0.828 795 E HN 0.296 nan 8.360 nan 0.000 0.540 796 S N -0.616 115.138 115.700 0.090 0.000 2.830 796 S HA 0.068 4.542 4.470 0.005 0.000 0.249 796 S C 1.446 176.180 174.600 0.223 0.000 1.084 796 S CA -0.283 58.002 58.200 0.142 0.000 0.852 796 S CB 0.237 63.274 63.200 -0.273 0.000 0.802 796 S HN -0.088 nan 8.310 nan 0.000 0.481 797 K N 1.456 121.878 120.400 0.037 0.000 2.525 797 K HA 0.222 4.545 4.320 0.005 0.000 0.192 797 K C 0.882 177.355 176.600 -0.212 0.000 1.029 797 K CA 0.774 56.981 56.287 -0.133 0.000 1.029 797 K CB -0.014 32.391 32.500 -0.158 0.000 0.814 797 K HN 0.656 nan 8.250 nan 0.000 0.503 798 G N 1.718 110.477 108.800 -0.068 0.000 2.455 798 G HA2 -0.206 3.757 3.960 0.005 0.000 0.169 798 G HA3 -0.206 3.757 3.960 0.005 0.000 0.169 798 G C -0.773 174.302 174.900 0.292 0.000 1.074 798 G CA -0.657 44.474 45.100 0.052 0.000 0.796 798 G HN 0.201 nan 8.290 nan 0.000 0.489 799 F N 1.231 121.293 119.950 0.186 0.000 2.436 799 F HA 0.691 5.222 4.527 0.005 0.000 0.340 799 F C 0.018 175.892 175.800 0.123 0.000 1.113 799 F CA -1.172 56.893 58.000 0.109 0.000 1.022 799 F CB 2.031 41.071 39.000 0.066 0.000 1.128 799 F HN 0.061 nan 8.300 nan 0.000 0.466 800 V N 7.359 126.959 119.914 -0.524 0.000 2.311 800 V HA 0.148 4.271 4.120 0.005 0.000 0.275 800 V C 0.823 176.497 176.094 -0.699 0.000 1.022 800 V CA -0.284 61.764 62.300 -0.421 0.000 0.830 800 V CB 1.038 32.655 31.823 -0.343 0.000 1.012 800 V HN 0.960 nan 8.190 nan 0.000 0.452 801 E N 4.074 124.044 120.200 -0.384 0.000 2.158 801 E HA -0.052 4.301 4.350 0.005 0.000 0.191 801 E C 0.860 177.360 176.600 -0.166 0.000 0.982 801 E CA 0.359 56.632 56.400 -0.211 0.000 0.823 801 E CB 0.342 30.102 29.700 0.100 0.000 0.766 801 E HN 0.721 nan 8.360 nan 0.000 0.468 802 N N 1.009 119.613 118.700 -0.160 0.000 2.399 802 N HA 0.007 4.750 4.740 0.005 0.000 0.250 802 N C -0.237 175.140 175.510 -0.221 0.000 1.272 802 N CA 0.379 53.347 53.050 -0.137 0.000 0.928 802 N CB 1.323 39.750 38.487 -0.100 0.000 1.158 802 N HN 0.078 nan 8.380 nan 0.000 0.463 803 S N -0.561 115.039 115.700 -0.167 0.000 2.690 803 S HA 0.301 4.775 4.470 0.005 0.000 0.291 803 S C 0.896 175.401 174.600 -0.159 0.000 1.138 803 S CA -0.698 57.384 58.200 -0.197 0.000 1.013 803 S CB 0.544 63.693 63.200 -0.085 0.000 1.053 803 S HN 0.540 nan 8.310 nan 0.000 0.539 804 Y N 0.055 120.316 120.300 -0.065 0.000 2.384 804 Y HA -0.127 4.426 4.550 0.006 0.000 0.289 804 Y C 2.071 177.956 175.900 -0.026 0.000 1.152 804 Y CA 0.854 58.928 58.100 -0.044 0.000 1.258 804 Y CB -0.163 38.274 38.460 -0.038 0.000 0.979 804 Y HN 0.616 nan 8.280 nan 0.000 0.549 805 L N 0.412 121.702 121.223 0.111 0.000 2.007 805 L HA -0.122 4.221 4.340 0.005 0.000 0.205 805 L C 2.222 179.114 176.870 0.037 0.000 1.073 805 L CA 1.579 56.457 54.840 0.064 0.000 0.744 805 L CB -0.603 41.480 42.059 0.041 0.000 0.898 805 L HN -0.021 nan 8.230 nan 0.000 0.435 806 R N 0.170 120.678 120.500 0.014 0.000 2.082 806 R HA 0.190 4.533 4.340 0.005 0.000 0.234 806 R C 0.442 176.744 176.300 0.003 0.000 1.136 806 R CA 0.919 57.019 56.100 0.000 0.000 0.935 806 R CB -0.773 29.517 30.300 -0.017 0.000 0.842 806 R HN 0.565 nan 8.270 nan 0.000 0.430 807 G N 0.069 108.867 108.800 -0.003 0.000 3.226 807 G HA2 -0.054 3.909 3.960 0.005 0.000 0.685 807 G HA3 -0.054 3.909 3.960 0.005 0.000 0.685 807 G C -0.888 174.004 174.900 -0.013 0.000 1.207 807 G CA -1.107 43.999 45.100 0.010 0.000 0.877 807 G HN 0.008 nan 8.290 nan 0.000 0.585 808 L N 1.189 122.413 121.223 0.002 0.000 2.472 808 L HA 0.596 4.940 4.340 0.005 0.000 0.273 808 L C 1.839 178.721 176.870 0.020 0.000 1.254 808 L CA 0.963 55.809 54.840 0.009 0.000 0.823 808 L CB 0.392 42.508 42.059 0.095 0.000 1.096 808 L HN 1.085 nan 8.230 nan 0.000 0.521 809 T N -2.638 111.933 114.554 0.028 0.000 2.952 809 T HA 0.475 4.828 4.350 0.005 0.000 0.286 809 T C -2.017 172.709 174.700 0.044 0.000 1.024 809 T CA -1.940 60.173 62.100 0.021 0.000 1.029 809 T CB 1.677 70.559 68.868 0.024 0.000 1.094 809 T HN 0.347 nan 8.240 nan 0.000 0.515 810 P HA -0.222 nan 4.420 nan 0.000 0.218 810 P C 1.486 178.783 177.300 -0.004 0.000 1.165 810 P CA 1.633 64.767 63.100 0.057 0.000 0.922 810 P CB -0.001 31.721 31.700 0.036 0.000 0.794 811 Q N -0.497 119.198 119.800 -0.176 0.000 2.020 811 Q HA -0.180 4.163 4.340 0.005 0.000 0.202 811 Q C 2.163 177.725 176.000 -0.730 0.000 0.982 811 Q CA 1.557 57.022 55.803 -0.564 0.000 0.838 811 Q CB -0.858 27.623 28.738 -0.429 0.000 0.899 811 Q HN 0.411 nan 8.270 nan 0.000 0.423 812 E N 0.117 120.150 120.200 -0.279 0.000 2.033 812 E HA -0.235 4.118 4.350 0.005 0.000 0.199 812 E C 1.858 178.465 176.600 0.011 0.000 1.011 812 E CA 1.291 57.630 56.400 -0.101 0.000 0.815 812 E CB -0.420 29.274 29.700 -0.009 0.000 0.755 812 E HN 0.274 nan 8.360 nan 0.000 0.451 813 F N 1.094 121.010 119.950 -0.056 0.000 2.087 813 F HA -0.284 4.246 4.527 0.005 0.000 0.299 813 F C 2.171 178.015 175.800 0.073 0.000 1.100 813 F CA 1.678 59.702 58.000 0.039 0.000 1.226 813 F CB -0.478 38.544 39.000 0.038 0.000 0.983 813 F HN -0.026 nan 8.300 nan 0.000 0.479 814 F N -0.348 119.525 119.950 -0.127 0.000 2.234 814 F HA -0.144 4.386 4.527 0.005 0.000 0.299 814 F C 2.015 177.811 175.800 -0.007 0.000 1.087 814 F CA 1.407 59.304 58.000 -0.173 0.000 1.340 814 F CB -0.525 38.404 39.000 -0.118 0.000 1.031 814 F HN 0.016 nan 8.300 nan 0.000 0.500 815 F N -1.387 118.648 119.950 0.141 0.000 2.098 815 F HA -0.217 4.313 4.527 0.005 0.000 0.294 815 F C 2.606 178.388 175.800 -0.030 0.000 1.107 815 F CA 0.933 58.979 58.000 0.077 0.000 1.234 815 F CB -0.889 38.188 39.000 0.129 0.000 1.002 815 F HN -0.004 nan 8.300 nan 0.000 0.472 816 H N 0.833 119.943 119.070 0.068 0.000 2.394 816 H HA -0.202 4.358 4.556 0.005 0.000 0.297 816 H C 1.950 177.182 175.328 -0.160 0.000 1.113 816 H CA 1.352 57.373 56.048 -0.045 0.000 1.277 816 H CB -0.441 29.290 29.762 -0.051 0.000 1.370 816 H HN 0.221 nan 8.280 nan 0.000 0.506 817 A N 0.564 123.171 122.820 -0.355 0.000 1.829 817 A HA -0.225 4.098 4.320 0.005 0.000 0.216 817 A C 2.599 179.943 177.584 -0.399 0.000 1.207 817 A CA 2.054 53.775 52.037 -0.527 0.000 0.622 817 A CB -1.015 17.535 19.000 -0.751 0.000 0.846 817 A HN 0.513 nan 8.150 nan 0.000 0.447 818 M N -0.518 118.844 119.600 -0.395 0.000 2.190 818 M HA -0.269 4.215 4.480 0.005 0.000 0.252 818 M C 2.207 178.406 176.300 -0.169 0.000 1.076 818 M CA 1.985 57.133 55.300 -0.253 0.000 1.079 818 M CB -1.011 31.516 32.600 -0.121 0.000 1.303 818 M HN 0.562 nan 8.290 nan 0.000 0.412 819 G N -0.636 108.089 108.800 -0.124 0.000 2.418 819 G HA2 -0.072 3.891 3.960 0.005 0.000 0.217 819 G HA3 -0.072 3.891 3.960 0.005 0.000 0.217 819 G C 1.488 176.303 174.900 -0.142 0.000 1.158 819 G CA 0.966 46.010 45.100 -0.094 0.000 0.771 819 G HN 0.590 nan 8.290 nan 0.000 0.545 820 G N 1.044 109.695 108.800 -0.249 0.000 2.459 820 G HA2 -0.269 3.694 3.960 0.005 0.000 0.217 820 G HA3 -0.269 3.694 3.960 0.005 0.000 0.217 820 G C 1.835 176.616 174.900 -0.198 0.000 1.183 820 G CA 1.300 46.231 45.100 -0.281 0.000 0.776 820 G HN 0.532 nan 8.290 nan 0.000 0.552 821 R N 0.996 121.369 120.500 -0.212 0.000 2.185 821 R HA -0.121 4.222 4.340 0.005 0.000 0.247 821 R C 2.152 178.380 176.300 -0.120 0.000 1.159 821 R CA 2.107 58.108 56.100 -0.164 0.000 0.988 821 R CB -0.612 29.580 30.300 -0.180 0.000 0.871 821 R HN 0.548 nan 8.270 nan 0.000 0.458 822 E N -0.829 119.304 120.200 -0.111 0.000 2.072 822 E HA -0.119 4.235 4.350 0.005 0.000 0.191 822 E C 1.733 178.291 176.600 -0.069 0.000 0.985 822 E CA 1.222 57.574 56.400 -0.081 0.000 0.801 822 E CB -0.383 29.275 29.700 -0.070 0.000 0.750 822 E HN 0.562 nan 8.360 nan 0.000 0.452 823 G N 1.759 110.515 108.800 -0.073 0.000 2.552 823 G HA2 -0.285 3.678 3.960 0.005 0.000 0.216 823 G HA3 -0.285 3.678 3.960 0.005 0.000 0.216 823 G C 1.588 176.453 174.900 -0.058 0.000 1.240 823 G CA 0.970 46.034 45.100 -0.060 0.000 0.796 823 G HN 0.246 nan 8.290 nan 0.000 0.568 824 L N 0.247 121.429 121.223 -0.069 0.000 2.113 824 L HA -0.255 4.088 4.340 0.005 0.000 0.221 824 L C 2.830 179.669 176.870 -0.052 0.000 1.084 824 L CA 1.110 55.913 54.840 -0.062 0.000 0.787 824 L CB -0.521 41.494 42.059 -0.074 0.000 0.893 824 L HN 0.303 nan 8.230 nan 0.000 0.440 825 I N 0.206 120.743 120.570 -0.055 0.000 2.070 825 I HA -0.320 3.854 4.170 0.005 0.000 0.224 825 I C 2.308 178.402 176.117 -0.038 0.000 1.049 825 I CA 1.622 62.894 61.300 -0.046 0.000 1.334 825 I CB -0.674 37.297 38.000 -0.048 0.000 1.095 825 I HN 0.387 nan 8.210 nan 0.000 0.391 826 D N 0.158 120.536 120.400 -0.037 0.000 2.191 826 D HA -0.258 4.385 4.640 0.005 0.000 0.195 826 D C 1.836 178.119 176.300 -0.028 0.000 1.003 826 D CA 2.217 56.199 54.000 -0.030 0.000 0.867 826 D CB -1.240 39.543 40.800 -0.029 0.000 0.926 826 D HN 0.244 nan 8.370 nan 0.000 0.450 827 T N -0.533 114.002 114.554 -0.032 0.000 2.721 827 T HA -0.142 4.211 4.350 0.005 0.000 0.268 827 T C 1.632 176.316 174.700 -0.026 0.000 1.038 827 T CA 1.969 64.052 62.100 -0.029 0.000 1.145 827 T CB -0.522 68.326 68.868 -0.033 0.000 0.858 827 T HN 0.485 nan 8.240 nan 0.000 0.459 828 A N -0.116 122.688 122.820 -0.027 0.000 2.359 828 A HA 0.466 4.789 4.320 0.005 0.000 0.240 828 A C 1.511 179.083 177.584 -0.020 0.000 1.306 828 A CA -0.013 52.011 52.037 -0.023 0.000 0.898 828 A CB 0.052 19.037 19.000 -0.025 0.000 0.956 828 A HN 0.366 nan 8.150 nan 0.000 0.497 829 V N -1.758 118.145 119.914 -0.019 0.000 3.177 829 V HA 0.067 4.190 4.120 0.005 0.000 0.219 829 V C 1.725 177.812 176.094 -0.011 0.000 1.344 829 V CA 0.707 62.998 62.300 -0.016 0.000 1.324 829 V CB -0.202 31.610 31.823 -0.019 0.000 1.165 829 V HN 0.285 nan 8.190 nan 0.000 0.510 830 K N 0.540 120.932 120.400 -0.013 0.000 2.585 830 K HA -0.062 4.261 4.320 0.005 0.000 0.194 830 K C 1.783 178.377 176.600 -0.010 0.000 1.037 830 K CA 1.369 57.649 56.287 -0.011 0.000 0.964 830 K CB -0.262 32.228 32.500 -0.017 0.000 0.787 830 K HN 0.454 nan 8.250 nan 0.000 0.488 831 T N -1.900 112.648 114.554 -0.010 0.000 3.018 831 T HA 0.251 4.604 4.350 0.005 0.000 0.246 831 T C 1.464 176.164 174.700 0.001 0.000 1.026 831 T CA 0.590 62.684 62.100 -0.010 0.000 1.081 831 T CB 0.168 69.027 68.868 -0.015 0.000 0.970 831 T HN 0.193 nan 8.240 nan 0.000 0.475 832 A N 0.636 123.459 122.820 0.004 0.000 1.943 832 A HA 0.200 4.523 4.320 0.005 0.000 0.213 832 A C 2.017 179.624 177.584 0.039 0.000 1.181 832 A CA 1.244 53.290 52.037 0.016 0.000 0.653 832 A CB -0.386 18.615 19.000 0.002 0.000 0.833 832 A HN 0.549 nan 8.150 nan 0.000 0.451 833 E N -0.675 119.543 120.200 0.030 0.000 2.072 833 E HA -0.118 4.235 4.350 0.005 0.000 0.191 833 E C 1.944 178.591 176.600 0.078 0.000 0.985 833 E CA 1.445 57.877 56.400 0.054 0.000 0.801 833 E CB -0.078 29.640 29.700 0.030 0.000 0.750 833 E HN 0.506 nan 8.360 nan 0.000 0.452 834 T N -0.239 114.338 114.554 0.039 0.000 2.652 834 T HA -0.183 4.171 4.350 0.005 0.000 0.267 834 T C 1.663 176.381 174.700 0.030 0.000 1.039 834 T CA 1.387 63.499 62.100 0.021 0.000 1.153 834 T CB -0.834 68.029 68.868 -0.007 0.000 0.863 834 T HN 0.451 nan 8.240 nan 0.000 0.428 835 G N 0.043 108.865 108.800 0.037 0.000 2.599 835 G HA2 -0.335 3.628 3.960 0.005 0.000 0.219 835 G HA3 -0.335 3.628 3.960 0.005 0.000 0.219 835 G C 1.360 176.305 174.900 0.075 0.000 1.193 835 G CA 1.407 46.531 45.100 0.041 0.000 0.778 835 G HN 0.554 nan 8.290 nan 0.000 0.589 836 Y N 1.347 121.645 120.300 -0.002 0.000 2.165 836 Y HA -0.107 4.446 4.550 0.005 0.000 0.286 836 Y C 2.703 178.609 175.900 0.010 0.000 1.155 836 Y CA 1.476 59.586 58.100 0.017 0.000 1.164 836 Y CB -0.202 38.278 38.460 0.033 0.000 0.978 836 Y HN 0.230 nan 8.280 nan 0.000 0.513 837 I N -0.224 120.378 120.570 0.054 0.000 2.179 837 I HA -0.340 3.833 4.170 0.005 0.000 0.242 837 I C 2.636 178.688 176.117 -0.107 0.000 1.088 837 I CA 1.620 62.900 61.300 -0.033 0.000 1.357 837 I CB -0.563 37.449 38.000 0.020 0.000 1.051 837 I HN 0.309 nan 8.210 nan 0.000 0.409 838 Q N 1.442 121.190 119.800 -0.086 0.000 2.030 838 Q HA -0.270 4.073 4.340 0.005 0.000 0.204 838 Q C 2.339 178.245 176.000 -0.157 0.000 0.986 838 Q CA 1.853 57.589 55.803 -0.112 0.000 0.843 838 Q CB -0.267 28.416 28.738 -0.093 0.000 0.904 838 Q HN 0.408 nan 8.270 nan 0.000 0.420 839 R N -0.020 120.378 120.500 -0.171 0.000 2.103 839 R HA -0.193 4.150 4.340 0.005 0.000 0.234 839 R C 2.501 178.601 176.300 -0.333 0.000 1.132 839 R CA 1.961 57.927 56.100 -0.223 0.000 0.925 839 R CB -0.173 30.009 30.300 -0.198 0.000 0.842 839 R HN 0.207 nan 8.270 nan 0.000 0.430 840 R N 0.419 120.658 120.500 -0.434 0.000 2.179 840 R HA -0.233 4.110 4.340 0.005 0.000 0.238 840 R C 2.481 178.582 176.300 -0.332 0.000 1.119 840 R CA 2.452 58.291 56.100 -0.436 0.000 0.915 840 R CB -1.070 29.033 30.300 -0.329 0.000 0.870 840 R HN 0.279 nan 8.270 nan 0.000 0.432 841 L N 0.300 121.379 121.223 -0.241 0.000 2.082 841 L HA -0.360 3.983 4.340 0.005 0.000 0.223 841 L C 2.433 179.139 176.870 -0.273 0.000 1.086 841 L CA 1.748 56.455 54.840 -0.221 0.000 0.793 841 L CB -0.752 41.213 42.059 -0.157 0.000 0.896 841 L HN 0.163 nan 8.230 nan 0.000 0.441 842 V N -0.692 119.068 119.914 -0.257 0.000 2.216 842 V HA -0.277 3.846 4.120 0.005 0.000 0.242 842 V C 2.442 178.359 176.094 -0.295 0.000 1.042 842 V CA 1.689 63.845 62.300 -0.241 0.000 0.991 842 V CB -0.568 31.136 31.823 -0.199 0.000 0.633 842 V HN 0.370 nan 8.190 nan 0.000 0.449 843 K N 0.247 120.444 120.400 -0.339 0.000 2.293 843 K HA -0.179 4.144 4.320 0.005 0.000 0.204 843 K C 1.922 178.268 176.600 -0.423 0.000 1.045 843 K CA 1.571 57.657 56.287 -0.336 0.000 0.933 843 K CB -0.709 31.498 32.500 -0.488 0.000 0.736 843 K HN 0.548 nan 8.250 nan 0.000 0.463 844 A N -0.047 122.346 122.820 -0.711 0.000 2.208 844 A HA 0.085 4.409 4.320 0.005 0.000 0.209 844 A C 1.470 178.690 177.584 -0.608 0.000 1.161 844 A CA 0.399 51.700 52.037 -1.227 0.000 0.782 844 A CB 0.067 18.172 19.000 -1.492 0.000 0.816 844 A HN 0.239 nan 8.150 nan 0.000 0.477 845 L N -1.930 119.070 121.223 -0.371 0.000 3.386 845 L HA 0.180 4.523 4.340 0.005 0.000 0.307 845 L C 1.157 177.925 176.870 -0.169 0.000 1.235 845 L CA -0.130 54.570 54.840 -0.233 0.000 1.056 845 L CB -0.295 41.651 42.059 -0.189 0.000 1.453 845 L HN 0.226 nan 8.230 nan 0.000 0.615 846 E N 1.991 122.090 120.200 -0.167 0.000 2.028 846 E HA -0.301 4.052 4.350 0.005 0.000 0.217 846 E C 1.101 177.639 176.600 -0.103 0.000 1.039 846 E CA 2.176 58.502 56.400 -0.123 0.000 0.882 846 E CB -0.349 29.292 29.700 -0.099 0.000 0.794 846 E HN 0.584 nan 8.360 nan 0.000 0.488 847 D N 1.025 121.376 120.400 -0.081 0.000 2.424 847 D HA -0.177 4.466 4.640 0.005 0.000 0.221 847 D C 0.405 176.668 176.300 -0.061 0.000 0.978 847 D CA 0.827 54.794 54.000 -0.055 0.000 0.971 847 D CB -0.676 40.108 40.800 -0.025 0.000 0.869 847 D HN 0.207 nan 8.370 nan 0.000 0.506 848 I N 0.786 121.302 120.570 -0.089 0.000 2.325 848 I HA 0.270 4.443 4.170 0.005 0.000 0.291 848 I C 0.462 176.485 176.117 -0.156 0.000 1.019 848 I CA -0.564 60.677 61.300 -0.099 0.000 1.302 848 I CB 0.721 38.670 38.000 -0.086 0.000 1.401 848 I HN 0.045 nan 8.210 nan 0.000 0.485 849 M N 5.417 124.877 119.600 -0.234 0.000 2.622 849 M HA 0.581 5.064 4.480 0.005 0.000 0.276 849 M C -1.807 174.222 176.300 -0.453 0.000 1.265 849 M CA -0.833 54.267 55.300 -0.334 0.000 0.850 849 M CB 2.291 34.684 32.600 -0.345 0.000 1.720 849 M HN 0.086 nan 8.290 nan 0.000 0.465 850 V N 3.170 122.841 119.914 -0.404 0.000 2.432 850 V HA 0.307 4.430 4.120 0.005 0.000 0.271 850 V C -0.041 175.812 176.094 -0.401 0.000 1.046 850 V CA -0.214 61.894 62.300 -0.319 0.000 0.945 850 V CB 0.380 32.063 31.823 -0.234 0.000 0.992 850 V HN 0.714 nan 8.190 nan 0.000 0.471 851 H N 3.921 122.948 119.070 -0.072 0.000 2.488 851 H HA 0.191 4.751 4.556 0.005 0.000 0.347 851 H C 0.671 175.990 175.328 -0.016 0.000 1.174 851 H CA -0.287 55.716 56.048 -0.074 0.000 1.307 851 H CB 0.865 30.624 29.762 -0.005 0.000 1.517 851 H HN 0.640 nan 8.280 nan 0.000 0.554 852 Y N 0.619 121.025 120.300 0.176 0.000 2.425 852 Y HA -0.276 4.277 4.550 0.005 0.000 0.285 852 Y C 1.813 177.764 175.900 0.084 0.000 1.170 852 Y CA 1.174 59.337 58.100 0.106 0.000 1.304 852 Y CB 0.137 38.657 38.460 0.100 0.000 0.972 852 Y HN 0.654 nan 8.280 nan 0.000 0.558 853 D N -1.982 118.570 120.400 0.252 0.000 2.349 853 D HA -0.111 4.532 4.640 0.005 0.000 0.215 853 D C 0.267 176.657 176.300 0.150 0.000 1.016 853 D CA 0.435 54.540 54.000 0.174 0.000 0.870 853 D CB -0.322 40.569 40.800 0.151 0.000 0.917 853 D HN 0.117 nan 8.370 nan 0.000 0.524 854 N N -0.894 117.895 118.700 0.148 0.000 2.861 854 N HA -0.155 4.588 4.740 0.005 0.000 0.247 854 N C -1.093 174.500 175.510 0.138 0.000 1.117 854 N CA 0.936 54.058 53.050 0.119 0.000 0.703 854 N CB -1.514 37.035 38.487 0.104 0.000 1.052 854 N HN 0.360 nan 8.380 nan 0.000 0.555 855 T N -0.170 114.473 114.554 0.148 0.000 2.912 855 T HA 0.462 4.815 4.350 0.005 0.000 0.288 855 T C -0.280 174.484 174.700 0.108 0.000 1.030 855 T CA 0.008 62.201 62.100 0.156 0.000 1.020 855 T CB 1.337 70.317 68.868 0.186 0.000 1.056 855 T HN 0.034 nan 8.240 nan 0.000 0.480 856 T N 5.426 120.019 114.554 0.065 0.000 2.781 856 T HA 0.534 4.887 4.350 0.005 0.000 0.305 856 T C -0.146 174.563 174.700 0.015 0.000 1.001 856 T CA -0.513 61.601 62.100 0.024 0.000 0.950 856 T CB 0.221 69.122 68.868 0.055 0.000 0.955 856 T HN 0.486 nan 8.240 nan 0.000 0.471 857 R N 2.321 122.863 120.500 0.071 0.000 2.905 857 R HA 0.563 4.906 4.340 0.005 0.000 0.260 857 R C 0.253 176.614 176.300 0.100 0.000 1.086 857 R CA -1.158 55.005 56.100 0.106 0.000 0.978 857 R CB 1.559 31.978 30.300 0.199 0.000 1.215 857 R HN 0.689 nan 8.270 nan 0.000 0.480 858 N N -1.424 117.323 118.700 0.078 0.000 2.992 858 N HA 0.131 4.874 4.740 0.005 0.000 0.338 858 N C 0.393 175.951 175.510 0.079 0.000 1.376 858 N CA -0.597 52.484 53.050 0.052 0.000 0.778 858 N CB 0.694 39.187 38.487 0.009 0.000 1.232 858 N HN 0.452 nan 8.380 nan 0.000 0.581 859 S N -0.449 115.276 115.700 0.042 0.000 2.474 859 S HA 0.007 4.480 4.470 0.005 0.000 0.235 859 S C 1.784 176.397 174.600 0.022 0.000 0.997 859 S CA 0.407 58.628 58.200 0.036 0.000 0.949 859 S CB -0.550 62.666 63.200 0.025 0.000 0.766 859 S HN 0.444 nan 8.310 nan 0.000 0.517 860 L N 0.587 121.822 121.223 0.021 0.000 2.307 860 L HA 0.275 4.618 4.340 0.005 0.000 0.211 860 L C 1.978 178.846 176.870 -0.003 0.000 1.099 860 L CA 0.680 55.527 54.840 0.013 0.000 0.816 860 L CB -0.600 41.471 42.059 0.020 0.000 0.952 860 L HN 0.589 nan 8.230 nan 0.000 0.455 861 G N -0.107 108.690 108.800 -0.005 0.000 2.163 861 G HA2 -0.220 3.743 3.960 0.005 0.000 0.213 861 G HA3 -0.220 3.743 3.960 0.005 0.000 0.213 861 G C -0.190 174.703 174.900 -0.012 0.000 0.991 861 G CA -0.374 44.705 45.100 -0.035 0.000 0.653 861 G HN 0.320 nan 8.290 nan 0.000 0.518 862 N N 0.929 119.627 118.700 -0.003 0.000 2.431 862 N HA 0.393 5.137 4.740 0.005 0.000 0.265 862 N C 0.689 176.169 175.510 -0.051 0.000 1.184 862 N CA -0.044 52.996 53.050 -0.017 0.000 0.943 862 N CB 1.438 39.921 38.487 -0.008 0.000 1.080 862 N HN 0.211 nan 8.380 nan 0.000 0.477 863 V N 3.612 123.466 119.914 -0.101 0.000 2.617 863 V HA -0.056 4.067 4.120 0.005 0.000 0.304 863 V C 1.592 177.525 176.094 -0.268 0.000 1.040 863 V CA 0.657 62.816 62.300 -0.236 0.000 1.149 863 V CB -0.013 31.503 31.823 -0.512 0.000 0.914 863 V HN 0.652 nan 8.190 nan 0.000 0.487 864 I N 2.482 122.924 120.570 -0.213 0.000 4.032 864 I HA 0.194 4.367 4.170 0.005 0.000 0.313 864 I C 0.672 176.680 176.117 -0.183 0.000 1.272 864 I CA 0.402 61.608 61.300 -0.157 0.000 1.307 864 I CB 0.390 38.345 38.000 -0.075 0.000 1.155 864 I HN 0.599 nan 8.210 nan 0.000 0.431 865 Q N -0.442 119.240 119.800 -0.198 0.000 2.284 865 Q HA 0.332 4.675 4.340 0.005 0.000 0.269 865 Q C -0.493 175.427 176.000 -0.132 0.000 1.026 865 Q CA -0.451 55.278 55.803 -0.122 0.000 0.831 865 Q CB 2.521 31.268 28.738 0.015 0.000 1.322 865 Q HN 0.037 nan 8.270 nan 0.000 0.419 866 F N 0.733 120.716 119.950 0.055 0.000 2.325 866 F HA 0.057 4.587 4.527 0.005 0.000 0.299 866 F C 0.663 176.502 175.800 0.065 0.000 1.090 866 F CA 0.741 58.775 58.000 0.056 0.000 1.392 866 F CB 0.591 39.616 39.000 0.042 0.000 1.053 866 F HN 0.361 nan 8.300 nan 0.000 0.521 867 I N -1.212 119.493 120.570 0.225 0.000 2.500 867 I HA 0.102 4.275 4.170 0.005 0.000 0.286 867 I C -0.818 175.383 176.117 0.140 0.000 1.063 867 I CA -1.252 60.145 61.300 0.161 0.000 1.062 867 I CB 0.839 38.912 38.000 0.121 0.000 1.223 867 I HN -0.140 nan 8.210 nan 0.000 0.435 868 Y N 6.987 127.306 120.300 0.031 0.000 2.852 868 Y HA 0.262 4.815 4.550 0.005 0.000 0.343 868 Y C 1.410 177.324 175.900 0.023 0.000 1.280 868 Y CA 1.030 59.136 58.100 0.011 0.000 1.604 868 Y CB -0.030 38.425 38.460 -0.009 0.000 1.216 868 Y HN 0.914 nan 8.280 nan 0.000 0.541 869 G N 4.609 113.144 108.800 -0.443 0.000 2.198 869 G HA2 -0.356 3.607 3.960 0.005 0.000 0.260 869 G HA3 -0.356 3.607 3.960 0.005 0.000 0.260 869 G C 0.300 175.133 174.900 -0.112 0.000 1.025 869 G CA 0.422 45.282 45.100 -0.401 0.000 0.769 869 G HN 0.964 nan 8.290 nan 0.000 0.507 870 E N -1.193 118.990 120.200 -0.028 0.000 2.539 870 E HA -0.268 4.085 4.350 0.005 0.000 0.253 870 E C 1.007 177.590 176.600 -0.028 0.000 1.145 870 E CA 1.293 57.696 56.400 0.005 0.000 0.738 870 E CB -0.634 29.075 29.700 0.014 0.000 1.308 870 E HN 0.981 nan 8.360 nan 0.000 0.409 871 D N -3.033 117.346 120.400 -0.036 0.000 2.289 871 D HA 0.002 4.645 4.640 0.005 0.000 0.586 871 D C 0.980 177.266 176.300 -0.023 0.000 0.915 871 D CA 0.545 54.529 54.000 -0.028 0.000 1.135 871 D CB -0.711 40.054 40.800 -0.058 0.000 1.488 871 D HN 0.440 nan 8.370 nan 0.000 0.398 872 G N 1.492 110.285 108.800 -0.012 0.000 2.225 872 G HA2 -0.279 3.684 3.960 0.005 0.000 0.267 872 G HA3 -0.279 3.684 3.960 0.005 0.000 0.267 872 G C -0.070 174.829 174.900 -0.002 0.000 1.024 872 G CA 0.941 46.069 45.100 0.047 0.000 0.784 872 G HN 0.420 nan 8.290 nan 0.000 0.507 873 M N 0.651 120.222 119.600 -0.048 0.000 2.300 873 M HA 0.491 4.974 4.480 0.005 0.000 0.348 873 M C -0.157 176.177 176.300 0.057 0.000 1.151 873 M CA -1.599 53.643 55.300 -0.096 0.000 1.046 873 M CB 1.495 33.996 32.600 -0.165 0.000 1.647 873 M HN 0.140 nan 8.290 nan 0.000 0.451 874 D N 2.918 123.366 120.400 0.080 0.000 2.338 874 D HA 0.337 4.980 4.640 0.005 0.000 0.255 874 D C 0.951 177.376 176.300 0.207 0.000 1.237 874 D CA 0.358 54.491 54.000 0.222 0.000 0.883 874 D CB 1.008 41.957 40.800 0.248 0.000 1.087 874 D HN 0.726 nan 8.370 nan 0.000 0.485 875 A N 4.617 127.554 122.820 0.194 0.000 2.001 875 A HA -0.300 4.023 4.320 0.005 0.000 0.224 875 A C 2.187 179.835 177.584 0.107 0.000 1.203 875 A CA 2.679 54.786 52.037 0.117 0.000 0.667 875 A CB -0.992 18.081 19.000 0.122 0.000 0.823 875 A HN 0.755 nan 8.150 nan 0.000 0.473 876 A N -1.270 121.616 122.820 0.109 0.000 1.948 876 A HA -0.176 4.147 4.320 0.005 0.000 0.220 876 A C 1.392 178.942 177.584 -0.057 0.000 1.177 876 A CA 1.314 53.350 52.037 -0.001 0.000 0.636 876 A CB -0.759 18.192 19.000 -0.082 0.000 0.815 876 A HN 0.748 nan 8.150 nan 0.000 0.449 877 H N -0.550 118.538 119.070 0.030 0.000 2.588 877 H HA 0.520 5.079 4.556 0.005 0.000 0.223 877 H C -0.888 174.439 175.328 -0.001 0.000 1.804 877 H CA -0.010 56.040 56.048 0.005 0.000 1.269 877 H CB -0.422 29.307 29.762 -0.055 0.000 1.670 877 H HN 0.337 nan 8.280 nan 0.000 0.539 878 I N 1.123 121.775 120.570 0.136 0.000 2.841 878 I HA 0.260 4.433 4.170 0.005 0.000 0.298 878 I C -0.714 175.508 176.117 0.175 0.000 1.304 878 I CA -0.777 60.596 61.300 0.122 0.000 1.019 878 I CB 2.982 41.047 38.000 0.108 0.000 1.282 878 I HN 0.250 nan 8.210 nan 0.000 0.432 879 E N 3.185 123.476 120.200 0.152 0.000 2.390 879 E HA 0.372 4.725 4.350 0.005 0.000 0.277 879 E C -1.488 175.193 176.600 0.134 0.000 0.939 879 E CA -1.196 55.308 56.400 0.174 0.000 0.769 879 E CB 2.627 32.388 29.700 0.102 0.000 1.251 879 E HN 0.358 nan 8.360 nan 0.000 0.450 880 K N 2.344 122.814 120.400 0.117 0.000 2.336 880 K HA 0.089 4.412 4.320 0.005 0.000 0.290 880 K C -0.256 176.364 176.600 0.033 0.000 1.067 880 K CA 0.249 56.567 56.287 0.053 0.000 0.962 880 K CB 0.368 32.867 32.500 -0.003 0.000 1.008 880 K HN 0.323 nan 8.250 nan 0.000 0.467 881 Q N 0.623 120.452 119.800 0.048 0.000 2.252 881 Q HA 0.348 4.691 4.340 0.005 0.000 0.256 881 Q C -0.410 175.598 176.000 0.013 0.000 1.020 881 Q CA -0.930 54.899 55.803 0.043 0.000 0.913 881 Q CB 1.917 30.707 28.738 0.086 0.000 1.286 881 Q HN 0.582 nan 8.270 nan 0.000 0.480 882 S N -0.068 115.640 115.700 0.013 0.000 2.519 882 S HA 0.454 4.928 4.470 0.005 0.000 0.309 882 S C -0.370 174.245 174.600 0.025 0.000 1.100 882 S CA -0.823 57.373 58.200 -0.008 0.000 1.059 882 S CB 0.456 63.639 63.200 -0.029 0.000 1.008 882 S HN 0.509 nan 8.310 nan 0.000 0.478 883 L N 3.809 125.047 121.223 0.025 0.000 2.395 883 L HA 0.194 4.537 4.340 0.005 0.000 0.268 883 L C 0.813 177.707 176.870 0.039 0.000 1.223 883 L CA -0.447 54.414 54.840 0.034 0.000 1.093 883 L CB -0.431 41.637 42.059 0.016 0.000 1.349 883 L HN 0.783 nan 8.230 nan 0.000 0.427 884 D N 0.625 121.065 120.400 0.067 0.000 2.191 884 D HA -0.196 4.448 4.640 0.005 0.000 0.195 884 D C 1.708 178.064 176.300 0.094 0.000 1.003 884 D CA 1.695 55.753 54.000 0.097 0.000 0.867 884 D CB 0.144 41.046 40.800 0.169 0.000 0.926 884 D HN 0.487 nan 8.370 nan 0.000 0.450 885 T N 1.094 115.683 114.554 0.058 0.000 2.897 885 T HA -0.118 4.235 4.350 0.005 0.000 0.271 885 T C 2.048 176.780 174.700 0.053 0.000 1.084 885 T CA 0.367 62.480 62.100 0.022 0.000 1.123 885 T CB 0.055 68.918 68.868 -0.008 0.000 0.865 885 T HN 0.222 nan 8.240 nan 0.000 0.496 886 I N 0.261 120.857 120.570 0.042 0.000 2.201 886 I HA 0.091 4.264 4.170 0.005 0.000 0.233 886 I C 1.977 178.125 176.117 0.053 0.000 1.067 886 I CA 0.486 61.809 61.300 0.038 0.000 1.354 886 I CB -0.812 37.198 38.000 0.016 0.000 1.108 886 I HN 0.269 nan 8.210 nan 0.000 0.411 887 G N -0.246 108.562 108.800 0.013 0.000 2.647 887 G HA2 0.385 4.348 3.960 0.005 0.000 0.271 887 G HA3 0.385 4.348 3.960 0.005 0.000 0.271 887 G C -0.078 174.886 174.900 0.106 0.000 1.300 887 G CA 0.451 45.572 45.100 0.035 0.000 0.997 887 G HN 0.763 nan 8.290 nan 0.000 0.533 888 G N -1.662 107.212 108.800 0.123 0.000 2.895 888 G HA2 0.307 4.270 3.960 0.005 0.000 0.686 888 G HA3 0.307 4.270 3.960 0.005 0.000 0.686 888 G C 0.087 175.064 174.900 0.128 0.000 1.108 888 G CA 0.172 45.349 45.100 0.128 0.000 0.761 888 G HN 1.961 nan 8.290 nan 0.000 0.611 889 S N 1.109 116.875 115.700 0.110 0.000 2.558 889 S HA 0.231 4.704 4.470 0.005 0.000 0.288 889 S C 1.135 175.795 174.600 0.099 0.000 1.318 889 S CA 0.496 58.748 58.200 0.087 0.000 1.056 889 S CB 1.587 64.831 63.200 0.074 0.000 0.853 889 S HN 0.631 nan 8.310 nan 0.000 0.505 890 D N 2.088 122.520 120.400 0.053 0.000 2.190 890 D HA -0.157 4.486 4.640 0.005 0.000 0.200 890 D C 2.027 178.409 176.300 0.138 0.000 0.992 890 D CA 1.580 55.608 54.000 0.048 0.000 0.854 890 D CB -0.325 40.477 40.800 0.003 0.000 0.936 890 D HN 0.748 nan 8.370 nan 0.000 0.462 891 A N 1.325 124.212 122.820 0.112 0.000 1.828 891 A HA -0.084 4.239 4.320 0.005 0.000 0.215 891 A C 2.424 180.097 177.584 0.147 0.000 1.203 891 A CA 2.400 54.506 52.037 0.116 0.000 0.614 891 A CB -1.046 18.001 19.000 0.079 0.000 0.844 891 A HN 0.238 nan 8.150 nan 0.000 0.445 892 A N -1.502 121.399 122.820 0.135 0.000 1.986 892 A HA -0.164 4.160 4.320 0.005 0.000 0.220 892 A C 2.043 179.744 177.584 0.195 0.000 1.171 892 A CA 1.858 53.975 52.037 0.133 0.000 0.640 892 A CB -0.828 18.241 19.000 0.115 0.000 0.811 892 A HN 0.745 nan 8.150 nan 0.000 0.451 893 F N 0.456 120.456 119.950 0.084 0.000 2.126 893 F HA -0.183 4.347 4.527 0.005 0.000 0.299 893 F C 2.198 178.115 175.800 0.195 0.000 1.096 893 F CA 2.278 60.334 58.000 0.093 0.000 1.255 893 F CB -0.182 38.817 39.000 -0.001 0.000 0.997 893 F HN 0.408 nan 8.300 nan 0.000 0.479 894 E N 0.289 120.699 120.200 0.350 0.000 2.017 894 E HA -0.291 4.062 4.350 0.005 0.000 0.193 894 E C 2.235 178.886 176.600 0.085 0.000 0.997 894 E CA 1.270 57.836 56.400 0.276 0.000 0.804 894 E CB -0.295 29.540 29.700 0.225 0.000 0.757 894 E HN 0.310 nan 8.360 nan 0.000 0.448 895 K N 0.433 120.853 120.400 0.033 0.000 2.366 895 K HA -0.243 4.080 4.320 0.005 0.000 0.202 895 K C 2.071 178.636 176.600 -0.059 0.000 1.045 895 K CA 1.352 57.610 56.287 -0.047 0.000 0.934 895 K CB 0.036 32.523 32.500 -0.022 0.000 0.746 895 K HN -0.031 nan 8.250 nan 0.000 0.470 896 R N -1.446 119.044 120.500 -0.017 0.000 2.119 896 R HA 0.018 4.361 4.340 0.005 0.000 0.202 896 R C 1.324 177.494 176.300 -0.216 0.000 1.114 896 R CA 0.492 56.529 56.100 -0.105 0.000 1.089 896 R CB 0.114 30.392 30.300 -0.037 0.000 1.000 896 R HN 0.156 nan 8.270 nan 0.000 0.487 897 Y N 0.130 120.270 120.300 -0.266 0.000 2.497 897 Y HA 0.245 4.798 4.550 0.005 0.000 0.265 897 Y C 0.497 176.425 175.900 0.047 0.000 1.111 897 Y CA -0.171 57.793 58.100 -0.227 0.000 1.288 897 Y CB 0.092 38.217 38.460 -0.558 0.000 1.082 897 Y HN -0.125 nan 8.280 nan 0.000 0.536 898 R N 1.225 121.893 120.500 0.279 0.000 2.347 898 R HA 0.440 4.784 4.340 0.005 0.000 0.304 898 R C -1.499 174.782 176.300 -0.032 0.000 1.072 898 R CA -0.031 56.137 56.100 0.114 0.000 0.980 898 R CB 0.231 30.468 30.300 -0.105 0.000 0.986 898 R HN -0.088 nan 8.270 nan 0.000 0.448 899 V N 4.939 124.831 119.914 -0.036 0.000 2.577 899 V HA 0.320 4.443 4.120 0.005 0.000 0.303 899 V C -1.095 174.977 176.094 -0.037 0.000 1.042 899 V CA -0.802 61.478 62.300 -0.034 0.000 0.872 899 V CB 1.939 33.752 31.823 -0.017 0.000 0.998 899 V HN 0.798 nan 8.190 nan 0.000 0.423 900 D N 4.254 124.651 120.400 -0.005 0.000 2.505 900 D HA 0.370 5.013 4.640 0.005 0.000 0.250 900 D C 0.434 176.738 176.300 0.007 0.000 1.164 900 D CA -0.369 53.632 54.000 0.003 0.000 0.870 900 D CB 2.003 42.829 40.800 0.042 0.000 1.160 900 D HN 0.427 nan 8.370 nan 0.000 0.549 901 L N 3.179 124.397 121.223 -0.007 0.000 2.599 901 L HA 0.144 4.487 4.340 0.005 0.000 0.230 901 L C 0.765 177.628 176.870 -0.012 0.000 1.141 901 L CA 0.462 55.296 54.840 -0.009 0.000 0.877 901 L CB -0.007 42.044 42.059 -0.013 0.000 1.009 901 L HN 0.317 nan 8.230 nan 0.000 0.447 902 L N 0.224 121.438 121.223 -0.015 0.000 2.709 902 L HA 0.391 4.734 4.340 0.005 0.000 0.236 902 L C -0.542 176.307 176.870 -0.035 0.000 1.266 902 L CA -0.095 54.731 54.840 -0.024 0.000 0.987 902 L CB -0.157 41.886 42.059 -0.028 0.000 1.306 902 L HN 0.184 nan 8.230 nan 0.000 0.467 903 N N -0.682 118.002 118.700 -0.027 0.000 5.094 903 N HA -0.013 4.730 4.740 0.005 0.000 0.159 903 N C 0.453 175.955 175.510 -0.013 0.000 1.016 903 N CA -0.101 52.923 53.050 -0.044 0.000 1.158 903 N CB 1.189 39.623 38.487 -0.088 0.000 1.540 903 N HN 0.059 nan 8.380 nan 0.000 0.969 904 T N 0.728 115.271 114.554 -0.019 0.000 2.822 904 T HA -0.121 4.233 4.350 0.005 0.000 0.270 904 T C 0.466 175.181 174.700 0.025 0.000 1.064 904 T CA 1.270 63.368 62.100 -0.002 0.000 1.131 904 T CB -0.102 68.761 68.868 -0.009 0.000 0.858 904 T HN 0.547 nan 8.240 nan 0.000 0.483 905 D N -0.536 119.893 120.400 0.048 0.000 2.407 905 D HA 0.058 4.701 4.640 0.005 0.000 0.208 905 D C 0.592 177.097 176.300 0.342 0.000 1.083 905 D CA 0.361 54.447 54.000 0.144 0.000 0.844 905 D CB 0.233 41.114 40.800 0.134 0.000 0.967 905 D HN 0.390 nan 8.370 nan 0.000 0.506 906 H N -0.414 118.637 119.070 -0.032 0.000 2.567 906 H HA 0.309 4.868 4.556 0.005 0.000 0.267 906 H C -0.056 175.245 175.328 -0.045 0.000 1.148 906 H CA -0.175 55.849 56.048 -0.041 0.000 1.031 906 H CB 0.517 30.249 29.762 -0.050 0.000 1.691 906 H HN -0.168 nan 8.280 nan 0.000 0.588 907 T N 0.641 115.235 114.554 0.067 0.000 2.948 907 T HA 0.446 4.799 4.350 0.005 0.000 0.285 907 T C 0.224 174.919 174.700 -0.009 0.000 1.019 907 T CA -0.802 61.308 62.100 0.017 0.000 1.013 907 T CB 1.152 70.025 68.868 0.008 0.000 1.117 907 T HN 0.091 nan 8.240 nan 0.000 0.533 908 L N 2.489 123.698 121.223 -0.023 0.000 2.418 908 L HA 0.243 4.586 4.340 0.005 0.000 0.274 908 L C 0.862 177.716 176.870 -0.027 0.000 1.135 908 L CA -0.569 54.249 54.840 -0.036 0.000 0.870 908 L CB 0.068 42.100 42.059 -0.045 0.000 1.154 908 L HN 0.604 nan 8.230 nan 0.000 0.462 909 D N 6.854 127.238 120.400 -0.026 0.000 2.458 909 D HA 0.003 4.646 4.640 0.005 0.000 0.243 909 D C -1.395 174.893 176.300 -0.021 0.000 1.146 909 D CA -1.245 52.744 54.000 -0.019 0.000 0.877 909 D CB 1.540 42.329 40.800 -0.018 0.000 1.176 909 D HN 0.359 nan 8.370 nan 0.000 0.461 910 P HA -0.134 nan 4.420 nan 0.000 0.234 910 P C 0.974 178.264 177.300 -0.016 0.000 1.162 910 P CA 0.573 63.662 63.100 -0.018 0.000 0.759 910 P CB -0.028 31.663 31.700 -0.014 0.000 0.813 911 S N -1.621 114.070 115.700 -0.015 0.000 2.561 911 S HA 0.029 4.503 4.470 0.005 0.000 0.225 911 S C 1.678 176.271 174.600 -0.012 0.000 0.977 911 S CA 0.189 58.383 58.200 -0.011 0.000 0.926 911 S CB -0.932 62.264 63.200 -0.007 0.000 0.769 911 S HN 0.133 nan 8.310 nan 0.000 0.533 912 L N -0.599 120.612 121.223 -0.021 0.000 2.488 912 L HA 0.475 4.818 4.340 0.005 0.000 0.186 912 L C 0.728 177.579 176.870 -0.033 0.000 1.124 912 L CA -0.237 54.587 54.840 -0.027 0.000 0.838 912 L CB -0.568 41.467 42.059 -0.039 0.000 1.107 912 L HN 0.297 nan 8.230 nan 0.000 0.494 913 L N 0.513 121.713 121.223 -0.038 0.000 2.375 913 L HA 0.164 4.508 4.340 0.005 0.000 0.271 913 L C 1.108 177.959 176.870 -0.033 0.000 1.107 913 L CA 0.341 55.155 54.840 -0.043 0.000 0.806 913 L CB 1.110 43.139 42.059 -0.050 0.000 1.146 913 L HN 0.155 nan 8.230 nan 0.000 0.447 914 E N 0.866 121.046 120.200 -0.034 0.000 2.047 914 E HA -0.138 4.215 4.350 0.005 0.000 0.191 914 E C 0.853 177.439 176.600 -0.024 0.000 0.987 914 E CA 1.328 57.713 56.400 -0.026 0.000 0.799 914 E CB 0.103 29.787 29.700 -0.026 0.000 0.752 914 E HN 0.814 nan 8.360 nan 0.000 0.449 915 S N -0.441 115.242 115.700 -0.028 0.000 2.815 915 S HA 0.218 4.691 4.470 0.005 0.000 0.254 915 S C 1.237 175.822 174.600 -0.025 0.000 1.197 915 S CA -0.135 58.050 58.200 -0.025 0.000 1.216 915 S CB 0.543 63.727 63.200 -0.027 0.000 0.871 915 S HN 0.343 nan 8.310 nan 0.000 0.473 916 G N 2.919 111.704 108.800 -0.024 0.000 2.453 916 G HA2 -0.222 3.741 3.960 0.005 0.000 0.215 916 G HA3 -0.222 3.741 3.960 0.005 0.000 0.215 916 G C 1.697 176.586 174.900 -0.019 0.000 1.201 916 G CA 0.996 46.082 45.100 -0.023 0.000 0.784 916 G HN 0.783 nan 8.290 nan 0.000 0.545 917 S N 1.339 117.030 115.700 -0.016 0.000 2.406 917 S HA -0.097 4.376 4.470 0.005 0.000 0.228 917 S C 1.973 176.565 174.600 -0.013 0.000 1.020 917 S CA 1.569 59.761 58.200 -0.013 0.000 0.965 917 S CB -0.346 62.848 63.200 -0.011 0.000 0.798 917 S HN 0.728 nan 8.310 nan 0.000 0.488 918 E N 0.710 120.902 120.200 -0.014 0.000 2.512 918 E HA 0.174 4.527 4.350 0.005 0.000 0.195 918 E C 1.465 178.057 176.600 -0.015 0.000 1.083 918 E CA 0.299 56.691 56.400 -0.013 0.000 0.873 918 E CB -0.314 29.379 29.700 -0.013 0.000 0.897 918 E HN 0.623 nan 8.360 nan 0.000 0.514 919 I N 0.301 120.861 120.570 -0.016 0.000 3.194 919 I HA 0.047 4.221 4.170 0.005 0.000 0.271 919 I C 1.151 177.259 176.117 -0.015 0.000 1.150 919 I CA -0.408 60.882 61.300 -0.017 0.000 1.440 919 I CB 0.292 38.279 38.000 -0.021 0.000 1.276 919 I HN 0.204 nan 8.210 nan 0.000 0.457 920 L N 2.744 123.958 121.223 -0.015 0.000 2.848 920 L HA -0.168 4.175 4.340 0.005 0.000 0.286 920 L C 1.093 177.955 176.870 -0.013 0.000 1.150 920 L CA 1.285 56.117 54.840 -0.013 0.000 0.958 920 L CB -0.140 41.912 42.059 -0.012 0.000 1.322 920 L HN 0.641 nan 8.230 nan 0.000 0.469 921 G N 2.687 111.479 108.800 -0.014 0.000 2.345 921 G HA2 -0.289 3.675 3.960 0.005 0.000 0.218 921 G HA3 -0.289 3.675 3.960 0.005 0.000 0.218 921 G C 0.291 175.184 174.900 -0.013 0.000 1.058 921 G CA 0.121 45.213 45.100 -0.014 0.000 0.632 921 G HN 0.761 nan 8.290 nan 0.000 0.508 922 D N 1.088 121.480 120.400 -0.013 0.000 2.752 922 D HA 0.062 4.706 4.640 0.005 0.000 0.225 922 D C 1.632 177.926 176.300 -0.011 0.000 1.104 922 D CA 0.559 54.552 54.000 -0.012 0.000 0.832 922 D CB 0.367 41.160 40.800 -0.012 0.000 1.161 922 D HN 0.293 nan 8.370 nan 0.000 0.505 923 L N 3.917 125.134 121.223 -0.009 0.000 2.354 923 L HA -0.017 4.326 4.340 0.005 0.000 0.212 923 L C 2.370 179.237 176.870 -0.006 0.000 1.091 923 L CA 0.332 55.167 54.840 -0.008 0.000 0.828 923 L CB 0.020 42.074 42.059 -0.008 0.000 0.973 923 L HN 0.360 nan 8.230 nan 0.000 0.461 924 K N 0.017 120.414 120.400 -0.006 0.000 2.288 924 K HA -0.053 4.270 4.320 0.005 0.000 0.201 924 K C 1.931 178.529 176.600 -0.004 0.000 1.048 924 K CA 0.856 57.141 56.287 -0.004 0.000 0.956 924 K CB 0.160 32.657 32.500 -0.005 0.000 0.746 924 K HN 0.296 nan 8.250 nan 0.000 0.461 925 L N 0.411 121.630 121.223 -0.006 0.000 2.127 925 L HA -0.069 4.275 4.340 0.005 0.000 0.203 925 L C 2.170 179.038 176.870 -0.003 0.000 1.080 925 L CA 0.593 55.429 54.840 -0.007 0.000 0.768 925 L CB -0.338 41.713 42.059 -0.012 0.000 0.924 925 L HN 0.128 nan 8.230 nan 0.000 0.444 926 Q N 0.138 119.935 119.800 -0.005 0.000 2.576 926 Q HA -0.106 4.237 4.340 0.005 0.000 0.218 926 Q C 1.978 177.981 176.000 0.004 0.000 0.983 926 Q CA 0.827 56.629 55.803 -0.003 0.000 0.920 926 Q CB -0.082 28.651 28.738 -0.008 0.000 0.973 926 Q HN 0.369 nan 8.270 nan 0.000 0.528 927 V N -0.526 119.391 119.914 0.006 0.000 2.685 927 V HA -0.109 4.015 4.120 0.005 0.000 0.244 927 V C 2.125 178.230 176.094 0.019 0.000 1.054 927 V CA 0.660 62.968 62.300 0.012 0.000 1.076 927 V CB -0.154 31.674 31.823 0.008 0.000 0.725 927 V HN 0.252 nan 8.190 nan 0.000 0.467 928 L N -0.771 120.461 121.223 0.015 0.000 2.044 928 L HA -0.079 4.264 4.340 0.005 0.000 0.205 928 L C 2.441 179.330 176.870 0.032 0.000 1.075 928 L CA 0.979 55.830 54.840 0.019 0.000 0.747 928 L CB -0.519 41.546 42.059 0.009 0.000 0.903 928 L HN 0.270 nan 8.230 nan 0.000 0.435 929 L N 0.040 121.279 121.223 0.026 0.000 2.129 929 L HA -0.257 4.086 4.340 0.005 0.000 0.212 929 L C 2.057 178.968 176.870 0.070 0.000 1.087 929 L CA 1.857 56.719 54.840 0.038 0.000 0.757 929 L CB -0.960 41.108 42.059 0.015 0.000 0.896 929 L HN 0.354 nan 8.230 nan 0.000 0.434 930 D N -1.010 119.425 120.400 0.058 0.000 2.216 930 D HA -0.104 4.539 4.640 0.005 0.000 0.208 930 D C 2.023 178.392 176.300 0.115 0.000 0.960 930 D CA 0.451 54.500 54.000 0.083 0.000 0.861 930 D CB 0.296 41.124 40.800 0.045 0.000 0.985 930 D HN 0.352 nan 8.370 nan 0.000 0.493 931 E N 0.986 121.232 120.200 0.076 0.000 2.033 931 E HA -0.230 4.123 4.350 0.005 0.000 0.199 931 E C 1.905 178.554 176.600 0.082 0.000 1.011 931 E CA 1.135 57.574 56.400 0.065 0.000 0.815 931 E CB 0.013 29.736 29.700 0.039 0.000 0.755 931 E HN 0.325 nan 8.360 nan 0.000 0.451 932 E N 0.007 120.257 120.200 0.084 0.000 2.055 932 E HA -0.304 4.049 4.350 0.005 0.000 0.209 932 E C 2.061 178.735 176.600 0.123 0.000 1.036 932 E CA 1.727 58.179 56.400 0.087 0.000 0.849 932 E CB -0.413 29.340 29.700 0.088 0.000 0.767 932 E HN 0.327 nan 8.360 nan 0.000 0.461 933 Y N 1.016 121.348 120.300 0.054 0.000 2.165 933 Y HA -0.202 4.351 4.550 0.005 0.000 0.286 933 Y C 2.198 178.155 175.900 0.095 0.000 1.155 933 Y CA 2.139 60.289 58.100 0.083 0.000 1.164 933 Y CB 0.044 38.551 38.460 0.080 0.000 0.978 933 Y HN 0.002 nan 8.280 nan 0.000 0.513 934 K N -0.575 119.961 120.400 0.226 0.000 2.280 934 K HA -0.245 4.078 4.320 0.005 0.000 0.202 934 K C 2.009 178.636 176.600 0.044 0.000 1.047 934 K CA 1.367 57.737 56.287 0.137 0.000 0.942 934 K CB -0.057 32.509 32.500 0.110 0.000 0.739 934 K HN 0.309 nan 8.250 nan 0.000 0.457 935 Q N 1.003 120.819 119.800 0.025 0.000 2.036 935 Q HA 0.003 4.346 4.340 0.005 0.000 0.195 935 Q C 1.816 177.795 176.000 -0.036 0.000 0.971 935 Q CA 1.188 56.986 55.803 -0.008 0.000 0.826 935 Q CB -0.193 28.541 28.738 -0.006 0.000 0.896 935 Q HN 0.196 nan 8.270 nan 0.000 0.449 936 L N -0.137 121.055 121.223 -0.051 0.000 2.137 936 L HA -0.222 4.121 4.340 0.005 0.000 0.213 936 L C 2.282 179.140 176.870 -0.020 0.000 1.085 936 L CA 1.038 55.844 54.840 -0.056 0.000 0.760 936 L CB -0.752 41.224 42.059 -0.139 0.000 0.893 936 L HN 0.139 nan 8.230 nan 0.000 0.434 937 V N -0.067 119.794 119.914 -0.088 0.000 2.323 937 V HA -0.253 3.870 4.120 0.005 0.000 0.244 937 V C 2.649 178.686 176.094 -0.095 0.000 1.041 937 V CA 1.797 64.010 62.300 -0.145 0.000 1.025 937 V CB -0.356 31.399 31.823 -0.113 0.000 0.656 937 V HN 0.443 nan 8.190 nan 0.000 0.451 938 K N -0.058 120.317 120.400 -0.041 0.000 2.074 938 K HA -0.278 4.045 4.320 0.005 0.000 0.209 938 K C 1.772 178.380 176.600 0.013 0.000 1.048 938 K CA 2.307 58.588 56.287 -0.009 0.000 0.926 938 K CB -0.294 32.203 32.500 -0.005 0.000 0.713 938 K HN 0.447 nan 8.250 nan 0.000 0.444 939 D N 0.148 120.540 120.400 -0.014 0.000 2.108 939 D HA -0.204 4.440 4.640 0.005 0.000 0.190 939 D C 1.943 178.279 176.300 0.060 0.000 0.995 939 D CA 1.529 55.534 54.000 0.008 0.000 0.834 939 D CB -0.222 40.560 40.800 -0.029 0.000 0.967 939 D HN 0.170 nan 8.370 nan 0.000 0.446 940 R N 0.635 121.115 120.500 -0.034 0.000 2.168 940 R HA -0.225 4.118 4.340 0.005 0.000 0.242 940 R C 1.984 178.275 176.300 -0.014 0.000 1.123 940 R CA 2.015 58.065 56.100 -0.082 0.000 0.928 940 R CB -0.034 30.072 30.300 -0.323 0.000 0.873 940 R HN 0.015 nan 8.270 nan 0.000 0.434 941 K N -0.226 120.153 120.400 -0.035 0.000 2.074 941 K HA -0.206 4.117 4.320 0.005 0.000 0.209 941 K C 2.015 178.634 176.600 0.031 0.000 1.048 941 K CA 1.756 58.034 56.287 -0.014 0.000 0.926 941 K CB -0.793 31.692 32.500 -0.024 0.000 0.713 941 K HN 0.301 nan 8.250 nan 0.000 0.444 942 F N 1.968 121.890 119.950 -0.047 0.000 2.069 942 F HA -0.192 4.338 4.527 0.005 0.000 0.298 942 F C 2.039 177.828 175.800 -0.018 0.000 1.113 942 F CA 1.380 59.357 58.000 -0.039 0.000 1.214 942 F CB -0.247 38.731 39.000 -0.038 0.000 0.978 942 F HN -0.127 nan 8.300 nan 0.000 0.474 943 L N 0.096 121.502 121.223 0.305 0.000 2.012 943 L HA -0.221 4.122 4.340 0.005 0.000 0.210 943 L C 2.469 179.408 176.870 0.116 0.000 1.073 943 L CA 1.521 56.524 54.840 0.271 0.000 0.748 943 L CB -0.896 41.333 42.059 0.283 0.000 0.891 943 L HN 0.084 nan 8.230 nan 0.000 0.431 944 R N -0.027 120.519 120.500 0.078 0.000 2.341 944 R HA -0.139 4.204 4.340 0.005 0.000 0.213 944 R C 1.744 178.025 176.300 -0.031 0.000 1.082 944 R CA 0.683 56.829 56.100 0.078 0.000 1.017 944 R CB -0.064 30.286 30.300 0.085 0.000 0.860 944 R HN 0.489 nan 8.270 nan 0.000 0.473 945 E N -0.690 119.410 120.200 -0.167 0.000 2.364 945 E HA -0.009 4.344 4.350 0.005 0.000 0.196 945 E C 1.422 177.802 176.600 -0.367 0.000 0.990 945 E CA 0.114 56.356 56.400 -0.264 0.000 0.886 945 E CB 0.645 30.137 29.700 -0.346 0.000 0.866 945 E HN 0.042 nan 8.360 nan 0.000 0.493 946 V N 0.081 119.715 119.914 -0.466 0.000 2.403 946 V HA -0.010 4.113 4.120 0.005 0.000 0.239 946 V C 0.360 176.032 176.094 -0.703 0.000 1.041 946 V CA 0.934 62.819 62.300 -0.691 0.000 1.051 946 V CB 0.029 31.282 31.823 -0.950 0.000 0.704 946 V HN 0.109 nan 8.190 nan 0.000 0.472 947 F N 0.311 120.132 119.950 -0.215 0.000 2.395 947 F HA 0.370 4.900 4.527 0.005 0.000 0.347 947 F C 1.123 176.915 175.800 -0.013 0.000 1.157 947 F CA -0.312 57.617 58.000 -0.118 0.000 1.272 947 F CB 0.116 39.078 39.000 -0.064 0.000 1.607 947 F HN -0.183 nan 8.300 nan 0.000 0.571 948 V N 0.230 120.188 119.914 0.075 0.000 2.469 948 V HA -0.277 3.846 4.120 0.005 0.000 0.251 948 V C 1.993 178.197 176.094 0.183 0.000 1.064 948 V CA 1.711 64.074 62.300 0.104 0.000 1.066 948 V CB -0.313 31.522 31.823 0.020 0.000 0.667 948 V HN 0.614 nan 8.190 nan 0.000 0.461 949 D N 0.225 120.725 120.400 0.167 0.000 2.221 949 D HA -0.116 4.527 4.640 0.005 0.000 0.204 949 D C 1.999 178.327 176.300 0.048 0.000 0.982 949 D CA 1.726 55.811 54.000 0.142 0.000 0.857 949 D CB 0.031 40.926 40.800 0.157 0.000 0.934 949 D HN 0.613 nan 8.370 nan 0.000 0.475 950 G N 0.989 109.761 108.800 -0.047 0.000 2.234 950 G HA2 -0.297 3.666 3.960 0.005 0.000 0.235 950 G HA3 -0.297 3.666 3.960 0.005 0.000 0.235 950 G C 0.352 175.064 174.900 -0.312 0.000 0.997 950 G CA 0.367 45.102 45.100 -0.608 0.000 0.623 950 G HN 0.364 nan 8.290 nan 0.000 0.514 951 E N 1.092 121.249 120.200 -0.071 0.000 2.585 951 E HA 0.522 4.875 4.350 0.005 0.000 0.252 951 E C 1.142 177.731 176.600 -0.018 0.000 0.981 951 E CA 1.055 57.403 56.400 -0.087 0.000 0.943 951 E CB 0.622 30.277 29.700 -0.075 0.000 0.923 951 E HN 0.868 nan 8.360 nan 0.000 0.486 952 A N 5.131 127.852 122.820 -0.165 0.000 2.390 952 A HA 0.137 4.461 4.320 0.005 0.000 0.232 952 A C -0.050 177.412 177.584 -0.203 0.000 1.233 952 A CA -0.368 51.607 52.037 -0.104 0.000 0.907 952 A CB 0.109 19.056 19.000 -0.087 0.000 0.967 952 A HN 0.546 nan 8.150 nan 0.000 0.512 953 N N 0.218 118.616 118.700 -0.505 0.000 2.426 953 N HA 0.403 5.146 4.740 0.005 0.000 0.257 953 N C -1.625 173.338 175.510 -0.910 0.000 1.002 953 N CA 0.223 52.982 53.050 -0.485 0.000 0.942 953 N CB 0.709 38.974 38.487 -0.371 0.000 1.112 953 N HN 0.434 nan 8.380 nan 0.000 0.499 954 W N 1.974 123.183 121.300 -0.151 0.000 3.033 954 W HA 0.383 5.047 4.660 0.005 0.000 0.336 954 W C -2.120 174.388 176.519 -0.019 0.000 1.173 954 W CA -1.684 55.593 57.345 -0.114 0.000 1.185 954 W CB 1.302 30.636 29.460 -0.209 0.000 1.425 954 W HN 0.284 nan 8.180 nan 0.000 0.536 955 P HA 0.283 nan 4.420 nan 0.000 0.276 955 P C -0.973 176.449 177.300 0.202 0.000 1.243 955 P CA 0.436 63.667 63.100 0.219 0.000 0.768 955 P CB 1.242 33.098 31.700 0.260 0.000 0.856 956 L N 5.193 126.514 121.223 0.162 0.000 2.513 956 L HA 0.414 4.757 4.340 0.005 0.000 0.261 956 L C -2.352 174.563 176.870 0.076 0.000 0.945 956 L CA -2.564 52.362 54.840 0.144 0.000 0.848 956 L CB 3.216 45.417 42.059 0.237 0.000 1.334 956 L HN 0.202 nan 8.230 nan 0.000 0.407 957 P HA 0.012 nan 4.420 nan 0.000 0.270 957 P C -0.412 176.818 177.300 -0.117 0.000 1.227 957 P CA 0.174 63.172 63.100 -0.170 0.000 0.788 957 P CB 0.816 32.254 31.700 -0.437 0.000 0.926 958 V N -0.485 119.388 119.914 -0.069 0.000 3.683 958 V HA -0.221 3.903 4.120 0.005 0.000 0.493 958 V C 0.582 176.745 176.094 0.116 0.000 0.682 958 V CA 0.387 62.713 62.300 0.044 0.000 2.008 958 V CB -1.513 30.394 31.823 0.141 0.000 2.427 958 V HN 0.898 nan 8.190 nan 0.000 0.505 959 N N 5.275 124.007 118.700 0.054 0.000 2.402 959 N HA 0.288 5.032 4.740 0.005 0.000 0.252 959 N C 0.843 176.374 175.510 0.035 0.000 1.118 959 N CA -0.025 53.050 53.050 0.042 0.000 0.945 959 N CB 0.880 39.359 38.487 -0.013 0.000 1.147 959 N HN 0.689 nan 8.380 nan 0.000 0.495 960 I N 2.899 123.504 120.570 0.059 0.000 2.333 960 I HA -0.154 4.019 4.170 0.005 0.000 0.246 960 I C 2.474 178.567 176.117 -0.040 0.000 1.106 960 I CA 0.300 61.606 61.300 0.012 0.000 1.411 960 I CB -0.137 37.876 38.000 0.022 0.000 1.082 960 I HN 0.571 nan 8.210 nan 0.000 0.420 961 R N 1.576 122.064 120.500 -0.020 0.000 2.136 961 R HA -0.261 4.083 4.340 0.005 0.000 0.242 961 R C 2.437 178.694 176.300 -0.071 0.000 1.131 961 R CA 2.114 58.190 56.100 -0.039 0.000 0.937 961 R CB -0.274 30.020 30.300 -0.009 0.000 0.863 961 R HN 0.282 nan 8.270 nan 0.000 0.435 962 R N 0.157 120.625 120.500 -0.053 0.000 2.070 962 R HA -0.104 4.239 4.340 0.005 0.000 0.233 962 R C 2.532 178.797 176.300 -0.059 0.000 1.137 962 R CA 1.606 57.668 56.100 -0.063 0.000 0.945 962 R CB -0.633 29.646 30.300 -0.035 0.000 0.845 962 R HN 0.374 nan 8.270 nan 0.000 0.430 963 I N 0.975 121.514 120.570 -0.051 0.000 2.290 963 I HA -0.359 3.814 4.170 0.005 0.000 0.253 963 I C 1.958 178.064 176.117 -0.018 0.000 1.112 963 I CA 1.506 62.772 61.300 -0.056 0.000 1.377 963 I CB 0.055 37.995 38.000 -0.101 0.000 1.060 963 I HN 0.226 nan 8.210 nan 0.000 0.428 964 I N -0.404 120.112 120.570 -0.089 0.000 2.429 964 I HA -0.238 3.935 4.170 0.005 0.000 0.247 964 I C 2.361 178.432 176.117 -0.077 0.000 1.099 964 I CA 0.681 61.908 61.300 -0.122 0.000 1.422 964 I CB -0.353 37.420 38.000 -0.379 0.000 1.112 964 I HN 0.202 nan 8.210 nan 0.000 0.430 965 Q N 0.764 120.477 119.800 -0.144 0.000 2.242 965 Q HA -0.264 4.079 4.340 0.005 0.000 0.211 965 Q C 1.745 177.625 176.000 -0.200 0.000 0.992 965 Q CA 1.572 57.220 55.803 -0.258 0.000 0.889 965 Q CB -0.240 28.233 28.738 -0.442 0.000 0.913 965 Q HN 0.559 nan 8.270 nan 0.000 0.422 966 N N -0.042 118.650 118.700 -0.013 0.000 2.220 966 N HA -0.046 4.698 4.740 0.005 0.000 0.182 966 N C 1.720 177.332 175.510 0.170 0.000 1.023 966 N CA 1.083 54.210 53.050 0.128 0.000 0.856 966 N CB -0.408 38.258 38.487 0.298 0.000 0.997 966 N HN 0.191 nan 8.380 nan 0.000 0.429 967 A N 2.305 125.331 122.820 0.343 0.000 1.958 967 A HA -0.234 4.089 4.320 0.005 0.000 0.221 967 A C 2.060 179.709 177.584 0.108 0.000 1.178 967 A CA 1.353 53.553 52.037 0.272 0.000 0.642 967 A CB -0.461 18.711 19.000 0.287 0.000 0.816 967 A HN 0.279 nan 8.150 nan 0.000 0.453 968 Q N -0.417 119.416 119.800 0.055 0.000 1.336 968 Q HA -0.243 4.100 4.340 0.005 0.000 0.641 968 Q C 2.023 178.042 176.000 0.032 0.000 0.951 968 Q CA 1.761 57.586 55.803 0.036 0.000 0.888 968 Q CB -0.905 27.855 28.738 0.036 0.000 0.929 968 Q HN 0.947 nan 8.270 nan 0.000 0.335 969 Q N 0.294 120.118 119.800 0.041 0.000 2.656 969 Q HA -0.072 4.272 4.340 0.005 0.000 0.221 969 Q C 1.038 176.900 176.000 -0.229 0.000 0.974 969 Q CA 1.496 57.290 55.803 -0.015 0.000 0.959 969 Q CB -0.290 28.518 28.738 0.116 0.000 0.989 969 Q HN 0.207 nan 8.270 nan 0.000 0.579 970 T N -0.790 113.637 114.554 -0.212 0.000 3.044 970 T HA 0.153 4.506 4.350 0.005 0.000 0.255 970 T C -0.173 174.114 174.700 -0.688 0.000 1.073 970 T CA 0.363 62.189 62.100 -0.457 0.000 1.125 970 T CB 0.078 68.615 68.868 -0.552 0.000 0.908 970 T HN 0.393 nan 8.240 nan 0.000 0.480 971 F N 0.851 120.553 119.950 -0.415 0.000 2.735 971 F HA 0.344 4.875 4.527 0.005 0.000 0.304 971 F C 0.317 176.020 175.800 -0.161 0.000 1.119 971 F CA -1.066 56.759 58.000 -0.292 0.000 1.280 971 F CB -0.263 38.598 39.000 -0.231 0.000 0.994 971 F HN 0.116 nan 8.300 nan 0.000 0.520 972 H N 0.626 119.724 119.070 0.046 0.000 2.355 972 H HA -0.194 4.365 4.556 0.005 0.000 0.324 972 H C 0.640 175.971 175.328 0.005 0.000 1.015 972 H CA 0.438 56.497 56.048 0.018 0.000 1.101 972 H CB -1.306 28.455 29.762 -0.001 0.000 1.555 972 H HN 0.326 nan 8.280 nan 0.000 0.386 973 I N 2.704 123.309 120.570 0.059 0.000 2.598 973 I HA -0.087 4.086 4.170 0.005 0.000 0.284 973 I C 0.913 176.945 176.117 -0.141 0.000 1.140 973 I CA 0.297 61.576 61.300 -0.036 0.000 1.420 973 I CB 0.494 38.444 38.000 -0.083 0.000 1.387 973 I HN 0.230 nan 8.210 nan 0.000 0.553 974 D N 6.563 126.901 120.400 -0.103 0.000 2.274 974 D HA 0.056 4.699 4.640 0.005 0.000 0.239 974 D C 0.607 176.836 176.300 -0.119 0.000 1.104 974 D CA -0.425 53.515 54.000 -0.100 0.000 0.840 974 D CB 0.808 41.601 40.800 -0.011 0.000 1.100 974 D HN 0.476 nan 8.370 nan 0.000 0.477 975 H N 1.595 120.691 119.070 0.043 0.000 2.566 975 H HA -0.040 4.519 4.556 0.005 0.000 0.277 975 H C 1.386 176.725 175.328 0.019 0.000 1.046 975 H CA 1.028 57.095 56.048 0.031 0.000 1.172 975 H CB -0.165 29.618 29.762 0.034 0.000 1.319 975 H HN 0.659 nan 8.280 nan 0.000 0.621 976 T N -2.272 112.333 114.554 0.085 0.000 3.246 976 T HA 0.058 4.411 4.350 0.005 0.000 0.231 976 T C 1.051 175.769 174.700 0.030 0.000 0.986 976 T CA -0.358 61.775 62.100 0.056 0.000 1.340 976 T CB 0.549 69.442 68.868 0.043 0.000 1.063 976 T HN 0.024 nan 8.240 nan 0.000 0.427 977 K N 3.000 123.410 120.400 0.017 0.000 2.286 977 K HA 0.260 4.583 4.320 0.005 0.000 0.256 977 K C -2.299 174.302 176.600 0.001 0.000 0.999 977 K CA -1.334 54.957 56.287 0.007 0.000 0.908 977 K CB -0.023 32.479 32.500 0.003 0.000 0.981 977 K HN 0.391 nan 8.250 nan 0.000 0.500 978 P HA -0.000 nan 4.420 nan 0.000 0.277 978 P C -0.219 177.070 177.300 -0.019 0.000 1.240 978 P CA -0.283 62.810 63.100 -0.012 0.000 0.798 978 P CB 1.471 33.163 31.700 -0.014 0.000 0.979 979 S N 1.002 116.685 115.700 -0.028 0.000 2.647 979 S HA 0.032 4.506 4.470 0.005 0.000 0.251 979 S C 0.483 175.058 174.600 -0.041 0.000 1.320 979 S CA 0.542 58.718 58.200 -0.040 0.000 0.968 979 S CB -0.283 62.883 63.200 -0.056 0.000 1.005 979 S HN 0.697 nan 8.310 nan 0.000 0.576 980 D N 0.178 120.547 120.400 -0.051 0.000 2.996 980 D HA 0.180 4.823 4.640 0.005 0.000 0.343 980 D C -0.561 175.703 176.300 -0.061 0.000 1.574 980 D CA -0.226 53.747 54.000 -0.045 0.000 0.773 980 D CB -1.107 39.675 40.800 -0.030 0.000 1.241 980 D HN 0.369 nan 8.370 nan 0.000 0.469 981 L N 0.572 121.741 121.223 -0.090 0.000 2.334 981 L HA 0.501 4.844 4.340 0.005 0.000 0.275 981 L C 0.559 177.364 176.870 -0.107 0.000 1.036 981 L CA -0.574 54.190 54.840 -0.128 0.000 0.807 981 L CB 1.715 43.639 42.059 -0.224 0.000 1.231 981 L HN -0.182 nan 8.230 nan 0.000 0.438 982 T N 1.265 115.760 114.554 -0.098 0.000 2.899 982 T HA 0.307 4.661 4.350 0.005 0.000 0.284 982 T C 1.461 176.104 174.700 -0.096 0.000 1.004 982 T CA -0.470 61.585 62.100 -0.074 0.000 1.043 982 T CB 1.627 70.465 68.868 -0.051 0.000 1.013 982 T HN 0.439 nan 8.240 nan 0.000 0.518 983 I N 0.568 121.093 120.570 -0.074 0.000 2.676 983 I HA -0.081 4.092 4.170 0.005 0.000 0.259 983 I C 2.467 178.546 176.117 -0.065 0.000 1.194 983 I CA 1.093 62.348 61.300 -0.076 0.000 1.473 983 I CB -0.120 37.849 38.000 -0.053 0.000 1.096 983 I HN 0.645 nan 8.210 nan 0.000 0.443 984 K N 0.442 120.812 120.400 -0.050 0.000 2.116 984 K HA -0.145 4.178 4.320 0.005 0.000 0.203 984 K C 1.557 178.135 176.600 -0.036 0.000 1.052 984 K CA 0.968 57.236 56.287 -0.032 0.000 0.952 984 K CB 0.017 32.505 32.500 -0.021 0.000 0.729 984 K HN 0.179 nan 8.250 nan 0.000 0.446 985 D N 1.239 121.603 120.400 -0.061 0.000 2.182 985 D HA -0.200 4.444 4.640 0.005 0.000 0.193 985 D C 1.861 178.106 176.300 -0.092 0.000 0.999 985 D CA 1.225 55.184 54.000 -0.069 0.000 0.850 985 D CB -0.362 40.364 40.800 -0.122 0.000 0.994 985 D HN 0.062 nan 8.370 nan 0.000 0.450 986 I N 0.416 120.834 120.570 -0.253 0.000 2.082 986 I HA -0.332 3.842 4.170 0.005 0.000 0.221 986 I C 2.592 178.698 176.117 -0.018 0.000 1.010 986 I CA 0.947 62.050 61.300 -0.329 0.000 1.322 986 I CB -0.718 37.071 38.000 -0.352 0.000 1.044 986 I HN -0.080 nan 8.210 nan 0.000 0.384 987 V N 0.984 120.883 119.914 -0.024 0.000 2.311 987 V HA -0.331 3.793 4.120 0.005 0.000 0.256 987 V C 2.278 178.394 176.094 0.037 0.000 1.077 987 V CA 2.057 64.370 62.300 0.021 0.000 1.067 987 V CB -0.628 31.197 31.823 0.005 0.000 0.659 987 V HN 0.390 nan 8.190 nan 0.000 0.451 988 L N -0.393 120.848 121.223 0.029 0.000 2.478 988 L HA 0.045 4.388 4.340 0.005 0.000 0.223 988 L C 2.284 179.186 176.870 0.054 0.000 1.140 988 L CA 0.986 55.845 54.840 0.032 0.000 0.842 988 L CB -0.520 41.550 42.059 0.019 0.000 0.953 988 L HN 0.475 nan 8.230 nan 0.000 0.452 989 G N -1.218 107.647 108.800 0.110 0.000 2.490 989 G HA2 -0.084 3.879 3.960 0.005 0.000 0.211 989 G HA3 -0.084 3.879 3.960 0.005 0.000 0.211 989 G C 1.499 176.454 174.900 0.091 0.000 1.159 989 G CA 0.220 45.400 45.100 0.135 0.000 0.819 989 G HN 0.083 nan 8.290 nan 0.000 0.539 990 V N 0.818 120.816 119.914 0.140 0.000 2.392 990 V HA -0.172 3.951 4.120 0.005 0.000 0.249 990 V C 2.707 178.801 176.094 0.001 0.000 1.059 990 V CA 2.287 64.626 62.300 0.066 0.000 1.051 990 V CB -0.310 31.579 31.823 0.111 0.000 0.658 990 V HN 0.343 nan 8.190 nan 0.000 0.455 991 K N -0.491 119.916 120.400 0.012 0.000 2.025 991 K HA -0.188 4.135 4.320 0.005 0.000 0.207 991 K C 1.965 178.549 176.600 -0.026 0.000 1.049 991 K CA 1.512 57.791 56.287 -0.014 0.000 0.933 991 K CB -0.220 32.278 32.500 -0.004 0.000 0.714 991 K HN 0.382 nan 8.250 nan 0.000 0.438 992 D N 0.721 121.114 120.400 -0.012 0.000 2.309 992 D HA -0.140 4.504 4.640 0.005 0.000 0.212 992 D C 1.732 178.004 176.300 -0.046 0.000 0.968 992 D CA 0.498 54.485 54.000 -0.022 0.000 0.882 992 D CB 0.202 40.999 40.800 -0.005 0.000 0.918 992 D HN 0.109 nan 8.370 nan 0.000 0.503 993 L N 1.175 122.362 121.223 -0.061 0.000 1.993 993 L HA -0.146 4.197 4.340 0.005 0.000 0.206 993 L C 2.211 179.011 176.870 -0.116 0.000 1.074 993 L CA 1.677 56.460 54.840 -0.096 0.000 0.746 993 L CB -0.807 41.181 42.059 -0.118 0.000 0.896 993 L HN -0.078 nan 8.230 nan 0.000 0.435 994 Q N -0.509 119.219 119.800 -0.119 0.000 2.242 994 Q HA -0.262 4.082 4.340 0.005 0.000 0.211 994 Q C 1.943 177.871 176.000 -0.120 0.000 0.992 994 Q CA 1.701 57.423 55.803 -0.135 0.000 0.889 994 Q CB -0.327 28.343 28.738 -0.115 0.000 0.913 994 Q HN 0.527 nan 8.270 nan 0.000 0.422 995 E N 0.432 120.579 120.200 -0.088 0.000 2.160 995 E HA -0.116 4.238 4.350 0.005 0.000 0.195 995 E C 1.227 177.781 176.600 -0.076 0.000 0.991 995 E CA 0.777 57.135 56.400 -0.070 0.000 0.810 995 E CB -0.109 29.561 29.700 -0.050 0.000 0.742 995 E HN 0.382 nan 8.360 nan 0.000 0.466 996 N N 0.054 118.696 118.700 -0.096 0.000 2.280 996 N HA 0.044 4.788 4.740 0.005 0.000 0.192 996 N C 0.215 175.641 175.510 -0.141 0.000 1.109 996 N CA 0.029 53.023 53.050 -0.093 0.000 0.855 996 N CB 0.557 39.000 38.487 -0.074 0.000 0.974 996 N HN 0.143 nan 8.380 nan 0.000 0.482 997 L N 2.146 123.210 121.223 -0.266 0.000 2.391 997 L HA 0.219 4.562 4.340 0.005 0.000 0.249 997 L C -0.530 176.200 176.870 -0.234 0.000 1.308 997 L CA -0.202 54.287 54.840 -0.585 0.000 1.209 997 L CB -0.634 40.794 42.059 -1.052 0.000 1.401 997 L HN -0.186 nan 8.230 nan 0.000 0.416 998 L N 1.438 122.663 121.223 0.004 0.000 2.290 998 L HA 0.209 4.552 4.340 0.005 0.000 0.284 998 L C 0.989 177.970 176.870 0.185 0.000 1.078 998 L CA 0.078 54.966 54.840 0.081 0.000 0.815 998 L CB 1.523 43.603 42.059 0.036 0.000 1.162 998 L HN 0.121 nan 8.230 nan 0.000 0.435 999 V N 3.000 123.010 119.914 0.161 0.000 2.599 999 V HA 0.185 4.309 4.120 0.005 0.000 0.237 999 V C 0.684 176.820 176.094 0.069 0.000 1.081 999 V CA 0.450 62.825 62.300 0.125 0.000 1.107 999 V CB 0.124 32.025 31.823 0.129 0.000 0.808 999 V HN 0.461 nan 8.190 nan 0.000 0.486 1000 L N -0.624 120.636 121.223 0.063 0.000 2.358 1000 L HA 0.469 4.812 4.340 0.005 0.000 0.268 1000 L C 1.105 177.997 176.870 0.037 0.000 1.032 1000 L CA -0.177 54.694 54.840 0.050 0.000 0.805 1000 L CB 1.639 43.727 42.059 0.049 0.000 1.253 1000 L HN 0.009 nan 8.230 nan 0.000 0.452 1001 R N 0.140 120.658 120.500 0.030 0.000 2.383 1001 R HA 0.198 4.541 4.340 0.005 0.000 0.205 1001 R C 0.529 176.836 176.300 0.011 0.000 0.875 1001 R CA 0.202 56.312 56.100 0.017 0.000 1.039 1001 R CB 0.415 30.722 30.300 0.012 0.000 1.267 1001 R HN 0.829 nan 8.270 nan 0.000 0.635 1002 G N 2.109 110.918 108.800 0.015 0.000 2.956 1002 G HA2 -0.301 3.662 3.960 0.005 0.000 0.258 1002 G HA3 -0.301 3.662 3.960 0.005 0.000 0.258 1002 G C -0.190 174.712 174.900 0.002 0.000 0.437 1002 G CA 0.304 45.410 45.100 0.010 0.000 1.163 1002 G HN 0.105 nan 8.290 nan 0.000 0.231 1003 K N 1.194 121.594 120.400 0.001 0.000 3.127 1003 K HA 0.303 4.626 4.320 0.005 0.000 0.236 1003 K C 0.482 177.080 176.600 -0.004 0.000 1.271 1003 K CA -0.071 56.214 56.287 -0.003 0.000 1.224 1003 K CB -0.354 32.144 32.500 -0.003 0.000 1.482 1003 K HN 0.895 nan 8.250 nan 0.000 0.435 1004 N N -3.016 115.681 118.700 -0.005 0.000 3.378 1004 N HA 0.078 4.821 4.740 0.005 0.000 0.294 1004 N C 0.190 175.693 175.510 -0.011 0.000 1.544 1004 N CA -0.724 52.321 53.050 -0.007 0.000 0.872 1004 N CB 0.611 39.094 38.487 -0.007 0.000 1.670 1004 N HN -0.111 nan 8.380 nan 0.000 0.551 1005 E N 0.163 120.355 120.200 -0.013 0.000 2.014 1005 E HA 0.238 4.591 4.350 0.005 0.000 0.190 1005 E C 1.437 178.023 176.600 -0.023 0.000 0.980 1005 E CA 1.252 57.642 56.400 -0.017 0.000 0.807 1005 E CB -0.303 29.387 29.700 -0.017 0.000 0.770 1005 E HN 0.574 nan 8.360 nan 0.000 0.451 1006 I N 0.958 121.511 120.570 -0.028 0.000 2.143 1006 I HA -0.341 3.832 4.170 0.005 0.000 0.245 1006 I C 2.061 178.153 176.117 -0.042 0.000 1.068 1006 I CA 1.071 62.346 61.300 -0.041 0.000 1.326 1006 I CB -0.342 37.630 38.000 -0.047 0.000 1.028 1006 I HN 0.295 nan 8.210 nan 0.000 0.412 1007 I N -0.014 120.540 120.570 -0.027 0.000 2.094 1007 I HA -0.254 3.919 4.170 0.005 0.000 0.234 1007 I C 2.487 178.597 176.117 -0.012 0.000 1.063 1007 I CA 1.437 62.727 61.300 -0.017 0.000 1.328 1007 I CB -1.382 36.616 38.000 -0.002 0.000 1.058 1007 I HN 0.348 nan 8.210 nan 0.000 0.400 1008 Q N 0.624 120.418 119.800 -0.010 0.000 2.376 1008 Q HA -0.215 4.128 4.340 0.005 0.000 0.211 1008 Q C 1.813 177.804 176.000 -0.015 0.000 0.986 1008 Q CA 0.991 56.788 55.803 -0.010 0.000 0.886 1008 Q CB -0.522 28.210 28.738 -0.011 0.000 0.927 1008 Q HN 0.502 nan 8.270 nan 0.000 0.457 1009 N N -0.134 118.553 118.700 -0.021 0.000 2.290 1009 N HA -0.027 4.716 4.740 0.005 0.000 0.179 1009 N C 1.511 177.006 175.510 -0.024 0.000 1.016 1009 N CA 0.946 53.981 53.050 -0.025 0.000 0.871 1009 N CB 0.182 38.650 38.487 -0.031 0.000 0.987 1009 N HN 0.192 nan 8.380 nan 0.000 0.431 1010 A N 0.965 123.770 122.820 -0.025 0.000 1.898 1010 A HA -0.191 4.132 4.320 0.005 0.000 0.216 1010 A C 2.117 179.702 177.584 0.002 0.000 1.181 1010 A CA 1.600 53.626 52.037 -0.018 0.000 0.620 1010 A CB -0.717 18.271 19.000 -0.020 0.000 0.819 1010 A HN 0.345 nan 8.150 nan 0.000 0.442 1011 Q N 0.460 120.263 119.800 0.005 0.000 1.978 1011 Q HA -0.271 4.072 4.340 0.005 0.000 0.211 1011 Q C 2.080 178.086 176.000 0.009 0.000 1.013 1011 Q CA 2.690 58.503 55.803 0.016 0.000 0.869 1011 Q CB -0.533 28.209 28.738 0.007 0.000 0.953 1011 Q HN 0.647 nan 8.270 nan 0.000 0.415 1012 R N 0.230 120.725 120.500 -0.009 0.000 2.119 1012 R HA -0.196 4.147 4.340 0.005 0.000 0.246 1012 R C 2.084 178.373 176.300 -0.019 0.000 1.146 1012 R CA 1.595 57.681 56.100 -0.022 0.000 0.962 1012 R CB -0.640 29.640 30.300 -0.033 0.000 0.863 1012 R HN 0.534 nan 8.270 nan 0.000 0.442 1013 D N 0.861 121.255 120.400 -0.011 0.000 2.095 1013 D HA -0.159 4.484 4.640 0.005 0.000 0.192 1013 D C 1.474 177.782 176.300 0.012 0.000 0.990 1013 D CA 1.644 55.642 54.000 -0.004 0.000 0.836 1013 D CB -0.411 40.388 40.800 -0.001 0.000 0.979 1013 D HN 0.256 nan 8.370 nan 0.000 0.447 1014 A N 0.287 123.124 122.820 0.028 0.000 2.208 1014 A HA 0.080 4.403 4.320 0.005 0.000 0.202 1014 A C 1.597 179.233 177.584 0.087 0.000 1.327 1014 A CA 0.565 52.631 52.037 0.048 0.000 0.930 1014 A CB -0.325 18.708 19.000 0.055 0.000 0.757 1014 A HN 0.169 nan 8.150 nan 0.000 0.507 1015 V N -3.060 116.899 119.914 0.076 0.000 3.193 1015 V HA -0.086 4.037 4.120 0.005 0.000 0.237 1015 V C 2.190 178.341 176.094 0.094 0.000 1.447 1015 V CA 1.116 63.494 62.300 0.130 0.000 1.227 1015 V CB -0.787 31.084 31.823 0.081 0.000 1.040 1015 V HN 0.465 nan 8.190 nan 0.000 0.458 1016 T N 2.162 116.712 114.554 -0.007 0.000 2.515 1016 T HA -0.398 3.955 4.350 0.005 0.000 0.246 1016 T C 1.781 176.420 174.700 -0.101 0.000 1.268 1016 T CA 2.765 64.796 62.100 -0.114 0.000 1.136 1016 T CB -0.659 68.093 68.868 -0.192 0.000 0.847 1016 T HN 0.269 nan 8.240 nan 0.000 0.442 1017 L N 0.601 121.817 121.223 -0.012 0.000 1.971 1017 L HA -0.044 4.299 4.340 0.005 0.000 0.215 1017 L C 2.125 179.058 176.870 0.104 0.000 1.072 1017 L CA 1.851 56.727 54.840 0.061 0.000 0.758 1017 L CB -1.367 40.773 42.059 0.135 0.000 0.889 1017 L HN 0.311 nan 8.230 nan 0.000 0.433 1018 F N 0.297 120.262 119.950 0.025 0.000 2.063 1018 F HA -0.346 4.184 4.527 0.005 0.000 0.298 1018 F C 2.596 178.398 175.800 0.002 0.000 1.109 1018 F CA 1.958 59.987 58.000 0.049 0.000 1.212 1018 F CB -1.171 37.903 39.000 0.124 0.000 0.973 1018 F HN 0.291 nan 8.300 nan 0.000 0.480 1019 C N -0.243 118.933 119.300 -0.207 0.000 2.413 1019 C HA -0.241 4.222 4.460 0.005 0.000 0.276 1019 C C 3.064 177.897 174.990 -0.262 0.000 1.248 1019 C CA 0.936 59.753 59.018 -0.335 0.000 1.742 1019 C CB -1.999 25.624 27.740 -0.194 0.000 2.017 1019 C HN 0.717 nan 8.230 nan 0.000 0.481 1020 C N 0.583 119.779 119.300 -0.173 0.000 2.398 1020 C HA -0.174 4.289 4.460 0.005 0.000 0.276 1020 C C 2.592 177.522 174.990 -0.100 0.000 1.222 1020 C CA 1.471 60.419 59.018 -0.117 0.000 1.746 1020 C CB -1.666 26.034 27.740 -0.067 0.000 2.039 1020 C HN 0.690 nan 8.230 nan 0.000 0.470 1021 L N 0.488 121.642 121.223 -0.115 0.000 2.083 1021 L HA -0.081 4.262 4.340 0.005 0.000 0.209 1021 L C 2.217 178.977 176.870 -0.185 0.000 1.083 1021 L CA 1.667 56.449 54.840 -0.097 0.000 0.752 1021 L CB -0.814 41.217 42.059 -0.046 0.000 0.899 1021 L HN 0.254 nan 8.230 nan 0.000 0.433 1022 L N 0.117 121.110 121.223 -0.385 0.000 1.976 1022 L HA -0.179 4.164 4.340 0.005 0.000 0.209 1022 L C 2.734 179.509 176.870 -0.158 0.000 1.071 1022 L CA 1.890 56.502 54.840 -0.380 0.000 0.746 1022 L CB -0.693 41.033 42.059 -0.554 0.000 0.890 1022 L HN 0.258 nan 8.230 nan 0.000 0.432 1023 R N -1.087 119.340 120.500 -0.123 0.000 2.200 1023 R HA -0.139 4.205 4.340 0.005 0.000 0.234 1023 R C 2.470 178.805 176.300 0.059 0.000 1.127 1023 R CA 1.179 57.262 56.100 -0.028 0.000 0.989 1023 R CB -0.610 29.668 30.300 -0.036 0.000 0.869 1023 R HN 0.504 nan 8.270 nan 0.000 0.459 1024 S N 0.456 116.192 115.700 0.060 0.000 2.402 1024 S HA -0.060 4.413 4.470 0.005 0.000 0.229 1024 S C 1.529 176.252 174.600 0.204 0.000 1.021 1024 S CA 0.813 59.127 58.200 0.190 0.000 0.974 1024 S CB 0.168 63.438 63.200 0.116 0.000 0.800 1024 S HN 0.201 nan 8.310 nan 0.000 0.484 1025 R N 0.200 120.769 120.500 0.115 0.000 2.397 1025 R HA 0.390 4.734 4.340 0.005 0.000 0.241 1025 R C 0.045 176.469 176.300 0.206 0.000 0.914 1025 R CA 0.083 56.282 56.100 0.165 0.000 1.071 1025 R CB -0.048 30.329 30.300 0.129 0.000 1.116 1025 R HN 0.399 nan 8.270 nan 0.000 0.524 1026 L N 1.046 122.348 121.223 0.130 0.000 3.083 1026 L HA 0.472 4.815 4.340 0.005 0.000 0.286 1026 L C -0.261 176.678 176.870 0.116 0.000 1.307 1026 L CA -0.515 54.431 54.840 0.178 0.000 0.897 1026 L CB 1.166 43.315 42.059 0.150 0.000 1.306 1026 L HN -0.104 nan 8.230 nan 0.000 0.569 1027 A N -0.564 122.279 122.820 0.038 0.000 2.305 1027 A HA 0.553 4.876 4.320 0.005 0.000 0.322 1027 A C 1.286 178.825 177.584 -0.075 0.000 1.187 1027 A CA -0.213 51.819 52.037 -0.008 0.000 0.825 1027 A CB 0.812 19.797 19.000 -0.026 0.000 1.164 1027 A HN 0.376 nan 8.150 nan 0.000 0.498 1028 T N 1.968 116.490 114.554 -0.054 0.000 2.481 1028 T HA -0.284 4.069 4.350 0.005 0.000 0.252 1028 T C 2.111 176.730 174.700 -0.136 0.000 1.242 1028 T CA 1.962 64.009 62.100 -0.088 0.000 1.170 1028 T CB -0.363 68.468 68.868 -0.060 0.000 0.860 1028 T HN 0.667 nan 8.240 nan 0.000 0.422 1029 R N 0.784 121.192 120.500 -0.153 0.000 2.136 1029 R HA -0.116 4.227 4.340 0.005 0.000 0.242 1029 R C 2.668 178.804 176.300 -0.274 0.000 1.131 1029 R CA 1.920 57.902 56.100 -0.198 0.000 0.937 1029 R CB -0.688 29.482 30.300 -0.218 0.000 0.863 1029 R HN 0.431 nan 8.270 nan 0.000 0.435 1030 R N -0.344 119.927 120.500 -0.382 0.000 2.088 1030 R HA -0.128 4.215 4.340 0.005 0.000 0.232 1030 R C 2.282 178.263 176.300 -0.532 0.000 1.136 1030 R CA 1.950 57.733 56.100 -0.528 0.000 0.926 1030 R CB -0.552 29.408 30.300 -0.568 0.000 0.837 1030 R HN 0.067 nan 8.270 nan 0.000 0.429 1031 V N 0.937 120.701 119.914 -0.250 0.000 2.613 1031 V HA -0.267 3.856 4.120 0.005 0.000 0.259 1031 V C 1.802 177.883 176.094 -0.022 0.000 1.099 1031 V CA 1.727 64.040 62.300 0.023 0.000 1.115 1031 V CB -0.462 31.397 31.823 0.061 0.000 0.686 1031 V HN 0.302 nan 8.190 nan 0.000 0.481 1032 L N -1.961 119.186 121.223 -0.126 0.000 2.653 1032 L HA 0.160 4.504 4.340 0.005 0.000 0.230 1032 L C 2.236 179.052 176.870 -0.090 0.000 1.055 1032 L CA 0.828 55.615 54.840 -0.088 0.000 0.880 1032 L CB -0.306 41.695 42.059 -0.097 0.000 1.195 1032 L HN 0.137 nan 8.230 nan 0.000 0.492 1033 Q N 0.175 119.885 119.800 -0.149 0.000 2.204 1033 Q HA -0.056 4.287 4.340 0.005 0.000 0.198 1033 Q C 1.780 177.697 176.000 -0.137 0.000 0.946 1033 Q CA 0.933 56.661 55.803 -0.126 0.000 0.859 1033 Q CB 0.443 29.095 28.738 -0.143 0.000 0.946 1033 Q HN 0.471 nan 8.270 nan 0.000 0.474 1034 E N -0.365 119.675 120.200 -0.267 0.000 2.030 1034 E HA -0.086 4.267 4.350 0.005 0.000 0.189 1034 E C -0.341 176.194 176.600 -0.108 0.000 0.974 1034 E CA 0.671 56.902 56.400 -0.282 0.000 0.807 1034 E CB 0.210 29.597 29.700 -0.522 0.000 0.771 1034 E HN 0.353 nan 8.360 nan 0.000 0.451 1035 Y N -0.016 120.299 120.300 0.024 0.000 2.842 1035 Y HA 0.411 4.964 4.550 0.005 0.000 0.334 1035 Y C -0.285 175.639 175.900 0.041 0.000 1.019 1035 Y CA -1.070 57.068 58.100 0.064 0.000 1.258 1035 Y CB 0.271 38.761 38.460 0.049 0.000 1.106 1035 Y HN -0.293 nan 8.280 nan 0.000 0.545 1036 R N 3.128 123.735 120.500 0.179 0.000 4.147 1036 R HA -0.044 4.299 4.340 0.005 0.000 0.153 1036 R C -0.226 176.100 176.300 0.043 0.000 1.702 1036 R CA 0.316 56.462 56.100 0.077 0.000 1.241 1036 R CB -0.873 29.453 30.300 0.043 0.000 1.210 1036 R HN 0.764 nan 8.270 nan 0.000 0.648 1037 L N 0.906 122.179 121.223 0.084 0.000 2.426 1037 L HA 0.060 4.404 4.340 0.005 0.000 0.271 1037 L C 1.602 178.459 176.870 -0.021 0.000 1.169 1037 L CA 0.196 55.062 54.840 0.043 0.000 0.836 1037 L CB 0.653 42.799 42.059 0.145 0.000 1.112 1037 L HN 0.343 nan 8.230 nan 0.000 0.465 1038 T N -0.695 113.818 114.554 -0.068 0.000 2.867 1038 T HA 0.176 4.529 4.350 0.005 0.000 0.286 1038 T C 0.884 175.551 174.700 -0.054 0.000 1.022 1038 T CA -0.582 61.474 62.100 -0.073 0.000 0.933 1038 T CB 1.409 70.223 68.868 -0.090 0.000 1.280 1038 T HN 0.598 nan 8.240 nan 0.000 0.566 1039 K N -0.088 120.286 120.400 -0.042 0.000 2.062 1039 K HA -0.056 4.267 4.320 0.005 0.000 0.205 1039 K C 2.458 179.072 176.600 0.024 0.000 1.051 1039 K CA 1.566 57.856 56.287 0.005 0.000 0.941 1039 K CB -0.504 31.998 32.500 0.002 0.000 0.719 1039 K HN 0.706 nan 8.250 nan 0.000 0.440 1040 Q N 0.019 119.786 119.800 -0.056 0.000 1.956 1040 Q HA -0.223 4.120 4.340 0.005 0.000 0.208 1040 Q C 2.008 177.834 176.000 -0.289 0.000 0.998 1040 Q CA 2.353 58.086 55.803 -0.116 0.000 0.855 1040 Q CB -0.502 28.163 28.738 -0.122 0.000 0.928 1040 Q HN 0.433 nan 8.270 nan 0.000 0.418 1041 A N 0.351 122.806 122.820 -0.608 0.000 1.881 1041 A HA -0.280 4.043 4.320 0.005 0.000 0.219 1041 A C 1.942 179.485 177.584 -0.070 0.000 1.215 1041 A CA 1.937 53.593 52.037 -0.635 0.000 0.648 1041 A CB -1.402 17.320 19.000 -0.462 0.000 0.832 1041 A HN 0.636 nan 8.150 nan 0.000 0.455 1042 F N 1.070 120.946 119.950 -0.122 0.000 2.065 1042 F HA -0.235 4.295 4.527 0.005 0.000 0.298 1042 F C 2.049 177.852 175.800 0.006 0.000 1.112 1042 F CA 2.404 60.383 58.000 -0.036 0.000 1.212 1042 F CB -0.346 38.634 39.000 -0.034 0.000 0.975 1042 F HN 0.300 nan 8.300 nan 0.000 0.476 1043 D N -1.210 119.276 120.400 0.143 0.000 2.221 1043 D HA -0.245 4.399 4.640 0.005 0.000 0.204 1043 D C 1.814 178.146 176.300 0.053 0.000 0.982 1043 D CA 1.316 55.353 54.000 0.062 0.000 0.857 1043 D CB -0.501 40.371 40.800 0.121 0.000 0.934 1043 D HN 0.511 nan 8.370 nan 0.000 0.475 1044 W N 1.194 122.433 121.300 -0.102 0.000 2.444 1044 W HA -0.119 4.544 4.660 0.005 0.000 0.308 1044 W C 2.203 178.662 176.519 -0.099 0.000 1.183 1044 W CA 0.609 57.927 57.345 -0.045 0.000 1.340 1044 W CB -0.530 28.947 29.460 0.029 0.000 1.138 1044 W HN -0.300 nan 8.180 nan 0.000 0.510 1045 V N 1.624 121.539 119.914 0.001 0.000 2.380 1045 V HA -0.355 3.768 4.120 0.005 0.000 0.251 1045 V C 2.311 178.203 176.094 -0.336 0.000 1.063 1045 V CA 1.964 64.136 62.300 -0.213 0.000 1.055 1045 V CB -1.087 30.633 31.823 -0.173 0.000 0.657 1045 V HN 0.243 nan 8.190 nan 0.000 0.455 1046 L N -0.358 120.635 121.223 -0.383 0.000 1.973 1046 L HA -0.170 4.173 4.340 0.005 0.000 0.208 1046 L C 2.764 179.487 176.870 -0.245 0.000 1.073 1046 L CA 1.981 56.612 54.840 -0.349 0.000 0.746 1046 L CB -0.961 40.879 42.059 -0.366 0.000 0.891 1046 L HN 0.422 nan 8.230 nan 0.000 0.433 1047 S N 0.218 115.787 115.700 -0.218 0.000 2.381 1047 S HA -0.269 4.204 4.470 0.005 0.000 0.230 1047 S C 1.842 176.303 174.600 -0.232 0.000 1.052 1047 S CA 2.043 60.131 58.200 -0.187 0.000 1.068 1047 S CB -0.356 62.750 63.200 -0.158 0.000 0.918 1047 S HN 0.410 nan 8.310 nan 0.000 0.448 1048 N N 0.953 119.427 118.700 -0.377 0.000 2.058 1048 N HA -0.040 4.703 4.740 0.005 0.000 0.191 1048 N C 1.928 177.317 175.510 -0.202 0.000 1.037 1048 N CA 1.725 54.551 53.050 -0.373 0.000 0.848 1048 N CB -0.523 37.586 38.487 -0.629 0.000 1.021 1048 N HN 0.474 nan 8.380 nan 0.000 0.422 1049 I N 1.527 121.993 120.570 -0.174 0.000 2.194 1049 I HA -0.305 3.868 4.170 0.005 0.000 0.246 1049 I C 2.578 178.707 176.117 0.020 0.000 1.093 1049 I CA 1.268 62.543 61.300 -0.041 0.000 1.355 1049 I CB -0.278 37.700 38.000 -0.037 0.000 1.046 1049 I HN 0.305 nan 8.210 nan 0.000 0.413 1050 E N 1.338 121.512 120.200 -0.045 0.000 2.007 1050 E HA -0.254 4.099 4.350 0.005 0.000 0.194 1050 E C 2.261 178.882 176.600 0.036 0.000 0.999 1050 E CA 1.599 57.989 56.400 -0.017 0.000 0.811 1050 E CB -0.174 29.490 29.700 -0.061 0.000 0.762 1050 E HN 0.411 nan 8.360 nan 0.000 0.450 1051 A N 0.663 123.469 122.820 -0.022 0.000 1.873 1051 A HA -0.324 3.999 4.320 0.005 0.000 0.218 1051 A C 2.241 179.818 177.584 -0.011 0.000 1.193 1051 A CA 2.125 54.149 52.037 -0.022 0.000 0.629 1051 A CB -1.011 17.954 19.000 -0.058 0.000 0.826 1051 A HN 0.485 nan 8.150 nan 0.000 0.447 1052 Q N -1.858 117.928 119.800 -0.023 0.000 2.112 1052 Q HA -0.210 4.133 4.340 0.005 0.000 0.206 1052 Q C 1.813 177.792 176.000 -0.035 0.000 0.987 1052 Q CA 2.091 57.879 55.803 -0.025 0.000 0.858 1052 Q CB -0.308 28.415 28.738 -0.025 0.000 0.905 1052 Q HN 0.724 nan 8.270 nan 0.000 0.420 1053 F N 0.550 120.418 119.950 -0.138 0.000 2.010 1053 F HA -0.255 4.276 4.527 0.005 0.000 0.296 1053 F C 1.707 177.388 175.800 -0.199 0.000 1.146 1053 F CA 1.628 59.505 58.000 -0.206 0.000 1.181 1053 F CB -0.406 38.491 39.000 -0.173 0.000 0.965 1053 F HN 0.028 nan 8.300 nan 0.000 0.480 1054 L N 0.166 121.483 121.223 0.156 0.000 2.369 1054 L HA -0.295 4.048 4.340 0.005 0.000 0.220 1054 L C 2.404 179.159 176.870 -0.192 0.000 1.119 1054 L CA 1.350 56.195 54.840 0.008 0.000 0.780 1054 L CB -0.596 41.496 42.059 0.055 0.000 0.906 1054 L HN 0.256 nan 8.230 nan 0.000 0.442 1055 R N -1.524 118.834 120.500 -0.237 0.000 2.173 1055 R HA 0.035 4.378 4.340 0.005 0.000 0.208 1055 R C 2.117 178.032 176.300 -0.641 0.000 1.035 1055 R CA 0.730 56.647 56.100 -0.305 0.000 1.004 1055 R CB 0.026 30.218 30.300 -0.179 0.000 0.917 1055 R HN 0.187 nan 8.270 nan 0.000 0.462 1056 S N 0.636 115.918 115.700 -0.698 0.000 2.603 1056 S HA 0.057 4.530 4.470 0.005 0.000 0.220 1056 S C 0.831 175.092 174.600 -0.564 0.000 0.967 1056 S CA -0.009 57.714 58.200 -0.795 0.000 0.920 1056 S CB 0.131 63.011 63.200 -0.534 0.000 0.773 1056 S HN -0.037 nan 8.310 nan 0.000 0.529 1057 V N 1.884 121.479 119.914 -0.532 0.000 3.376 1057 V HA 0.109 4.232 4.120 0.005 0.000 0.303 1057 V C 0.677 176.618 176.094 -0.255 0.000 1.100 1057 V CA -0.387 61.691 62.300 -0.371 0.000 1.126 1057 V CB 0.634 32.274 31.823 -0.306 0.000 1.085 1057 V HN 0.067 nan 8.190 nan 0.000 0.480 1058 V N 1.632 121.473 119.914 -0.121 0.000 2.644 1058 V HA 0.227 4.350 4.120 0.005 0.000 0.295 1058 V C 0.184 176.221 176.094 -0.096 0.000 1.053 1058 V CA -0.610 61.675 62.300 -0.025 0.000 0.987 1058 V CB 0.974 32.853 31.823 0.094 0.000 1.006 1058 V HN 0.766 nan 8.190 nan 0.000 0.472 1059 H N 4.188 123.232 119.070 -0.043 0.000 2.782 1059 H HA 0.208 4.767 4.556 0.006 0.000 0.285 1059 H C -2.306 172.976 175.328 -0.076 0.000 1.093 1059 H CA -1.763 54.266 56.048 -0.031 0.000 1.410 1059 H CB 1.098 30.849 29.762 -0.019 0.000 1.439 1059 H HN 0.415 nan 8.280 nan 0.000 0.469 1060 P HA -0.018 nan 4.420 nan 0.000 0.257 1060 P C 0.903 178.035 177.300 -0.279 0.000 1.189 1060 P CA 0.925 63.911 63.100 -0.190 0.000 0.780 1060 P CB 0.537 32.107 31.700 -0.218 0.000 0.772 1061 G N 2.521 111.171 108.800 -0.249 0.000 3.505 1061 G HA2 -0.131 3.832 3.960 0.005 0.000 0.210 1061 G HA3 -0.131 3.832 3.960 0.005 0.000 0.210 1061 G C -0.056 174.744 174.900 -0.168 0.000 1.047 1061 G CA -0.477 44.511 45.100 -0.185 0.000 0.884 1061 G HN 0.426 nan 8.290 nan 0.000 0.434 1062 E N 1.814 121.923 120.200 -0.153 0.000 2.652 1062 E HA 0.077 4.430 4.350 0.005 0.000 0.255 1062 E C 0.338 176.804 176.600 -0.223 0.000 0.952 1062 E CA 0.428 56.724 56.400 -0.174 0.000 0.947 1062 E CB 0.326 29.906 29.700 -0.200 0.000 0.912 1062 E HN 0.184 nan 8.360 nan 0.000 0.489 1063 M N 4.559 124.050 119.600 -0.182 0.000 3.422 1063 M HA 0.012 4.495 4.480 0.005 0.000 0.248 1063 M C 1.133 177.326 176.300 -0.179 0.000 1.433 1063 M CA -0.153 55.040 55.300 -0.179 0.000 1.592 1063 M CB -0.451 32.066 32.600 -0.139 0.000 1.078 1063 M HN 0.261 nan 8.290 nan 0.000 0.578 1064 V N 1.131 120.899 119.914 -0.242 0.000 2.317 1064 V HA -0.271 3.852 4.120 0.005 0.000 0.251 1064 V C 2.355 178.392 176.094 -0.096 0.000 1.065 1064 V CA 2.464 64.626 62.300 -0.230 0.000 1.049 1064 V CB -1.380 30.199 31.823 -0.406 0.000 0.651 1064 V HN 0.811 nan 8.190 nan 0.000 0.450 1065 G N 0.018 108.756 108.800 -0.105 0.000 2.545 1065 G HA2 -0.254 3.709 3.960 0.005 0.000 0.217 1065 G HA3 -0.254 3.709 3.960 0.005 0.000 0.217 1065 G C 1.668 176.511 174.900 -0.096 0.000 1.218 1065 G CA 1.369 46.418 45.100 -0.085 0.000 0.787 1065 G HN 0.380 nan 8.290 nan 0.000 0.571 1066 V N 0.931 120.778 119.914 -0.112 0.000 2.380 1066 V HA -0.161 3.962 4.120 0.005 0.000 0.251 1066 V C 2.667 178.695 176.094 -0.110 0.000 1.063 1066 V CA 1.499 63.730 62.300 -0.115 0.000 1.055 1066 V CB -0.575 31.183 31.823 -0.108 0.000 0.657 1066 V HN 0.308 nan 8.190 nan 0.000 0.455 1067 L N 0.958 122.122 121.223 -0.098 0.000 1.921 1067 L HA -0.162 4.181 4.340 0.005 0.000 0.219 1067 L C 2.637 179.412 176.870 -0.159 0.000 1.081 1067 L CA 2.767 57.545 54.840 -0.103 0.000 0.771 1067 L CB -1.765 40.264 42.059 -0.050 0.000 0.888 1067 L HN 0.300 nan 8.230 nan 0.000 0.433 1068 A N -0.300 122.480 122.820 -0.066 0.000 1.954 1068 A HA -0.315 4.008 4.320 0.005 0.000 0.222 1068 A C 2.423 179.927 177.584 -0.133 0.000 1.199 1068 A CA 3.117 55.120 52.037 -0.057 0.000 0.657 1068 A CB -1.287 17.836 19.000 0.204 0.000 0.823 1068 A HN 0.738 nan 8.150 nan 0.000 0.463 1069 A N -0.864 121.888 122.820 -0.112 0.000 1.849 1069 A HA -0.297 4.026 4.320 0.005 0.000 0.217 1069 A C 2.117 179.614 177.584 -0.144 0.000 1.202 1069 A CA 2.024 53.984 52.037 -0.127 0.000 0.629 1069 A CB -0.921 17.993 19.000 -0.144 0.000 0.834 1069 A HN 0.692 nan 8.150 nan 0.000 0.447 1070 Q N -0.304 119.405 119.800 -0.151 0.000 2.014 1070 Q HA -0.181 4.162 4.340 0.005 0.000 0.207 1070 Q C 2.389 178.284 176.000 -0.175 0.000 0.993 1070 Q CA 1.932 57.645 55.803 -0.151 0.000 0.850 1070 Q CB -0.459 28.209 28.738 -0.116 0.000 0.916 1070 Q HN 0.648 nan 8.270 nan 0.000 0.417 1071 S N 0.652 116.209 115.700 -0.238 0.000 2.428 1071 S HA -0.202 4.272 4.470 0.005 0.000 0.240 1071 S C 1.855 176.352 174.600 -0.172 0.000 1.036 1071 S CA 1.336 59.362 58.200 -0.290 0.000 1.009 1071 S CB -0.285 62.456 63.200 -0.765 0.000 0.803 1071 S HN 0.300 nan 8.310 nan 0.000 0.486 1072 I N 0.353 120.842 120.570 -0.136 0.000 2.512 1072 I HA 0.059 4.232 4.170 0.005 0.000 0.247 1072 I C 2.744 178.807 176.117 -0.089 0.000 1.094 1072 I CA 0.831 62.085 61.300 -0.076 0.000 1.427 1072 I CB -0.913 37.055 38.000 -0.053 0.000 1.149 1072 I HN 0.354 nan 8.210 nan 0.000 0.438 1073 G N 0.594 109.330 108.800 -0.107 0.000 2.470 1073 G HA2 -0.244 3.720 3.960 0.005 0.000 0.220 1073 G HA3 -0.244 3.720 3.960 0.005 0.000 0.220 1073 G C 1.540 176.362 174.900 -0.130 0.000 1.121 1073 G CA 0.483 45.518 45.100 -0.109 0.000 0.766 1073 G HN 0.283 nan 8.290 nan 0.000 0.553 1074 E N 1.330 121.426 120.200 -0.172 0.000 2.006 1074 E HA -0.073 4.280 4.350 0.005 0.000 0.192 1074 E C -0.028 176.467 176.600 -0.174 0.000 0.993 1074 E CA 1.123 57.376 56.400 -0.245 0.000 0.808 1074 E CB -0.869 28.584 29.700 -0.412 0.000 0.764 1074 E HN 0.363 nan 8.360 nan 0.000 0.449 1075 P HA -0.043 nan 4.420 nan 0.000 0.236 1075 P C 0.660 177.920 177.300 -0.067 0.000 1.172 1075 P CA 1.141 64.194 63.100 -0.079 0.000 0.759 1075 P CB -0.019 31.653 31.700 -0.048 0.000 0.843 1076 A N -0.269 122.505 122.820 -0.075 0.000 2.021 1076 A HA -0.004 4.319 4.320 0.005 0.000 0.216 1076 A C 2.153 179.705 177.584 -0.054 0.000 1.163 1076 A CA 1.372 53.374 52.037 -0.058 0.000 0.676 1076 A CB -1.272 17.694 19.000 -0.057 0.000 0.818 1076 A HN 0.156 nan 8.150 nan 0.000 0.453 1077 T N -0.042 114.470 114.554 -0.069 0.000 2.937 1077 T HA -0.068 4.285 4.350 0.005 0.000 0.260 1077 T C 1.761 176.430 174.700 -0.052 0.000 1.051 1077 T CA 1.032 63.096 62.100 -0.060 0.000 1.141 1077 T CB -0.130 68.692 68.868 -0.076 0.000 0.879 1077 T HN 0.394 nan 8.240 nan 0.000 0.459 1078 Q N 0.697 120.463 119.800 -0.057 0.000 2.500 1078 Q HA 0.159 4.502 4.340 0.005 0.000 0.213 1078 Q C 0.598 176.579 176.000 -0.032 0.000 0.974 1078 Q CA 0.367 56.145 55.803 -0.043 0.000 0.918 1078 Q CB -0.475 28.238 28.738 -0.041 0.000 0.980 1078 Q HN 0.570 nan 8.270 nan 0.000 0.505 1079 M N 1.817 121.397 119.600 -0.034 0.000 2.685 1079 M HA 0.040 4.523 4.480 0.005 0.000 0.316 1079 M C -0.310 175.975 176.300 -0.025 0.000 1.523 1079 M CA 0.450 55.733 55.300 -0.028 0.000 1.472 1079 M CB -0.184 32.398 32.600 -0.031 0.000 1.525 1079 M HN -0.236 nan 8.290 nan 0.000 0.471 1080 T N 5.315 119.856 114.554 -0.022 0.000 2.727 1080 T HA 0.654 5.007 4.350 0.005 0.000 0.298 1080 T C 0.013 174.702 174.700 -0.018 0.000 0.942 1080 T CA -0.132 61.956 62.100 -0.020 0.000 0.997 1080 T CB 0.538 69.395 68.868 -0.018 0.000 0.917 1080 T HN 0.505 nan 8.240 nan 0.000 0.487 1093 K N 2.482 122.885 120.400 0.004 0.000 2.535 1093 K HA 0.281 4.604 4.320 0.005 0.000 0.242 1093 K C -0.220 176.379 176.600 -0.002 0.000 1.210 1093 K CA -0.128 56.157 56.287 -0.003 0.000 1.178 1093 K CB 1.067 33.563 32.500 -0.005 0.000 1.778 1093 K HN -0.126 nan 8.250 nan 0.000 0.372 1094 V N -0.014 119.898 119.914 -0.003 0.000 3.553 1094 V HA 0.071 4.195 4.120 0.005 0.000 0.287 1094 V C 1.574 177.664 176.094 -0.007 0.000 1.111 1094 V CA -0.287 62.011 62.300 -0.004 0.000 0.950 1094 V CB 1.657 33.477 31.823 -0.005 0.000 1.243 1094 V HN 0.477 nan 8.190 nan 0.000 0.443 1095 T N -0.176 114.375 114.554 -0.007 0.000 3.043 1095 T HA 0.142 4.495 4.350 0.005 0.000 0.263 1095 T C 0.500 175.195 174.700 -0.010 0.000 1.094 1095 T CA 1.061 63.158 62.100 -0.005 0.000 1.127 1095 T CB -0.011 68.859 68.868 0.002 0.000 0.905 1095 T HN 0.733 nan 8.240 nan 0.000 0.490 1096 S N -1.153 114.537 115.700 -0.016 0.000 4.044 1096 S HA -0.014 4.459 4.470 0.005 0.000 0.637 1096 S C 0.881 175.465 174.600 -0.028 0.000 1.583 1096 S CA -0.419 57.768 58.200 -0.022 0.000 1.820 1096 S CB -1.380 61.809 63.200 -0.018 0.000 0.329 1096 S HN 0.591 nan 8.310 nan 0.000 1.700 1097 G N 0.315 109.098 108.800 -0.029 0.000 3.287 1097 G HA2 0.421 4.384 3.960 0.005 0.000 0.172 1097 G HA3 0.421 4.384 3.960 0.005 0.000 0.172 1097 G C 1.335 176.221 174.900 -0.023 0.000 1.922 1097 G CA 0.542 45.622 45.100 -0.033 0.000 0.952 1097 G HN 1.152 nan 8.290 nan 0.000 0.520 1098 V N 3.211 123.113 119.914 -0.020 0.000 2.258 1098 V HA -0.253 3.870 4.120 0.005 0.000 0.259 1098 V C 0.606 176.701 176.094 0.002 0.000 1.076 1098 V CA 3.039 65.333 62.300 -0.010 0.000 1.084 1098 V CB -1.641 30.177 31.823 -0.009 0.000 0.706 1098 V HN 0.578 nan 8.190 nan 0.000 0.461 1099 P HA -0.208 nan 4.420 nan 0.000 0.218 1099 P C 1.538 178.849 177.300 0.018 0.000 1.148 1099 P CA 2.018 65.124 63.100 0.011 0.000 0.822 1099 P CB -0.093 31.610 31.700 0.005 0.000 0.784 1100 R N 0.393 120.897 120.500 0.007 0.000 2.062 1100 R HA -0.072 4.271 4.340 0.005 0.000 0.229 1100 R C 2.352 178.658 176.300 0.010 0.000 1.128 1100 R CA 1.004 57.109 56.100 0.008 0.000 0.960 1100 R CB -1.883 28.411 30.300 -0.010 0.000 0.855 1100 R HN 0.074 nan 8.270 nan 0.000 0.432 1101 L N 1.302 122.523 121.223 -0.003 0.000 2.043 1101 L HA -0.143 4.200 4.340 0.005 0.000 0.212 1101 L C 2.103 178.991 176.870 0.029 0.000 1.075 1101 L CA 2.131 56.968 54.840 -0.005 0.000 0.752 1101 L CB -0.817 41.233 42.059 -0.015 0.000 0.891 1101 L HN 0.326 nan 8.230 nan 0.000 0.432 1102 K N -0.493 119.933 120.400 0.042 0.000 2.063 1102 K HA -0.270 4.053 4.320 0.005 0.000 0.208 1102 K C 2.171 178.825 176.600 0.090 0.000 1.048 1102 K CA 1.921 58.252 56.287 0.073 0.000 0.928 1102 K CB -0.186 32.355 32.500 0.070 0.000 0.713 1102 K HN 0.525 nan 8.250 nan 0.000 0.442 1103 E N 0.310 120.557 120.200 0.078 0.000 2.160 1103 E HA -0.168 4.186 4.350 0.005 0.000 0.195 1103 E C 1.888 178.582 176.600 0.156 0.000 0.991 1103 E CA 1.188 57.649 56.400 0.102 0.000 0.810 1103 E CB 0.044 29.794 29.700 0.083 0.000 0.742 1103 E HN 0.359 nan 8.360 nan 0.000 0.466 1104 I N 0.185 120.832 120.570 0.129 0.000 2.277 1104 I HA -0.220 3.953 4.170 0.005 0.000 0.243 1104 I C 2.097 178.339 176.117 0.208 0.000 1.094 1104 I CA 0.640 62.043 61.300 0.172 0.000 1.393 1104 I CB -0.129 37.857 38.000 -0.024 0.000 1.078 1104 I HN 0.147 nan 8.210 nan 0.000 0.417 1105 L N 0.730 122.032 121.223 0.132 0.000 2.191 1105 L HA -0.165 4.178 4.340 0.005 0.000 0.212 1105 L C 1.944 178.917 176.870 0.172 0.000 1.103 1105 L CA 0.985 55.907 54.840 0.137 0.000 0.769 1105 L CB -0.660 41.457 42.059 0.096 0.000 0.908 1105 L HN 0.354 nan 8.230 nan 0.000 0.438 1106 N N -0.450 118.353 118.700 0.171 0.000 2.446 1106 N HA -0.009 4.734 4.740 0.005 0.000 0.179 1106 N C 0.567 176.171 175.510 0.156 0.000 1.054 1106 N CA 0.348 53.499 53.050 0.169 0.000 0.905 1106 N CB 0.579 39.156 38.487 0.150 0.000 0.973 1106 N HN -0.028 nan 8.380 nan 0.000 0.448 1107 V N 0.817 120.841 119.914 0.184 0.000 6.125 1107 V HA -0.253 3.871 4.120 0.005 0.000 0.281 1107 V C 0.219 176.337 176.094 0.041 0.000 0.591 1107 V CA 0.349 62.720 62.300 0.119 0.000 0.617 1107 V CB -2.351 29.517 31.823 0.075 0.000 0.336 1107 V HN 0.412 nan 8.190 nan 0.000 0.650 1108 A N 1.976 124.837 122.820 0.068 0.000 2.331 1108 A HA 0.698 5.021 4.320 0.005 0.000 0.283 1108 A C 0.938 178.519 177.584 -0.005 0.000 1.142 1108 A CA 0.235 52.294 52.037 0.036 0.000 0.812 1108 A CB 1.095 20.131 19.000 0.060 0.000 1.074 1108 A HN 0.609 nan 8.150 nan 0.000 0.497 1109 K N 1.934 122.319 120.400 -0.024 0.000 2.097 1109 K HA -0.076 4.247 4.320 0.005 0.000 0.205 1109 K C 0.303 176.890 176.600 -0.021 0.000 1.050 1109 K CA 1.838 58.101 56.287 -0.040 0.000 0.938 1109 K CB 0.030 32.505 32.500 -0.041 0.000 0.718 1109 K HN 0.799 nan 8.250 nan 0.000 0.442 1110 N N 2.504 121.200 118.700 -0.006 0.000 3.091 1110 N HA 0.093 4.836 4.740 0.005 0.000 0.255 1110 N C -0.513 175.004 175.510 0.012 0.000 1.204 1110 N CA -0.187 52.862 53.050 -0.001 0.000 0.990 1110 N CB 0.189 38.674 38.487 -0.004 0.000 1.260 1110 N HN 0.201 nan 8.380 nan 0.000 0.502 1111 M N -0.826 118.787 119.600 0.022 0.000 2.228 1111 M HA 0.238 4.721 4.480 0.005 0.000 0.351 1111 M C 0.957 177.269 176.300 0.020 0.000 1.233 1111 M CA -0.279 55.042 55.300 0.036 0.000 1.129 1111 M CB 1.277 33.914 32.600 0.062 0.000 1.604 1111 M HN 0.027 nan 8.290 nan 0.000 0.457 1112 K N 1.043 121.454 120.400 0.018 0.000 2.034 1112 K HA -0.086 4.237 4.320 0.005 0.000 0.214 1112 K C 0.310 176.913 176.600 0.005 0.000 1.051 1112 K CA 1.641 57.933 56.287 0.009 0.000 0.931 1112 K CB -0.247 32.257 32.500 0.007 0.000 0.715 1112 K HN 0.742 nan 8.250 nan 0.000 0.446 1113 T N 1.573 116.132 114.554 0.007 0.000 2.771 1113 T HA 0.161 4.515 4.350 0.005 0.000 0.281 1113 T C -1.988 172.714 174.700 0.003 0.000 0.982 1113 T CA -1.418 60.683 62.100 0.002 0.000 0.978 1113 T CB 2.048 70.915 68.868 -0.001 0.000 0.930 1113 T HN 0.104 nan 8.240 nan 0.000 0.447 1114 P HA 0.151 nan 4.420 nan 0.000 0.238 1114 P C 0.665 177.950 177.300 -0.025 0.000 1.153 1114 P CA 0.124 63.219 63.100 -0.008 0.000 0.900 1114 P CB 0.372 32.066 31.700 -0.010 0.000 1.009 1115 S N 0.096 115.781 115.700 -0.025 0.000 2.793 1115 S HA -0.099 4.374 4.470 0.005 0.000 0.639 1115 S C -0.343 174.223 174.600 -0.056 0.000 3.153 1115 S CA 1.151 59.330 58.200 -0.034 0.000 3.348 1115 S CB -0.889 62.292 63.200 -0.032 0.000 0.330 1115 S HN 0.537 nan 8.310 nan 0.000 1.793 1116 L N -0.399 120.787 121.223 -0.060 0.000 4.439 1116 L HA 0.469 4.812 4.340 0.005 0.000 0.261 1116 L C -0.665 176.177 176.870 -0.046 0.000 1.052 1116 L CA 0.125 54.921 54.840 -0.072 0.000 1.191 1116 L CB 0.471 42.504 42.059 -0.043 0.000 1.969 1116 L HN 0.549 nan 8.230 nan 0.000 0.580 1117 T N 4.376 118.903 114.554 -0.045 0.000 2.733 1117 T HA 0.672 5.025 4.350 0.005 0.000 0.294 1117 T C 0.026 174.657 174.700 -0.115 0.000 0.956 1117 T CA 0.035 62.086 62.100 -0.081 0.000 0.987 1117 T CB 1.031 69.869 68.868 -0.050 0.000 0.920 1117 T HN 1.003 nan 8.240 nan 0.000 0.470 1118 V N 2.289 122.123 119.914 -0.135 0.000 2.370 1118 V HA 0.626 4.749 4.120 0.005 0.000 0.283 1118 V C -0.976 175.054 176.094 -0.107 0.000 1.023 1118 V CA -1.177 61.095 62.300 -0.048 0.000 0.857 1118 V CB 0.046 31.877 31.823 0.013 0.000 0.985 1118 V HN 0.685 nan 8.190 nan 0.000 0.443 1119 Y N 3.800 124.161 120.300 0.102 0.000 2.335 1119 Y HA 0.642 5.195 4.550 0.005 0.000 0.323 1119 Y C 0.625 176.577 175.900 0.087 0.000 1.224 1119 Y CA -0.654 57.505 58.100 0.099 0.000 1.241 1119 Y CB 1.014 39.540 38.460 0.111 0.000 1.235 1119 Y HN 0.523 nan 8.280 nan 0.000 0.492 1120 L N 0.568 121.942 121.223 0.251 0.000 2.440 1120 L HA 0.085 4.428 4.340 0.005 0.000 0.184 1120 L C 0.433 177.411 176.870 0.180 0.000 1.111 1120 L CA -0.003 54.947 54.840 0.183 0.000 0.910 1120 L CB -0.114 42.054 42.059 0.182 0.000 1.455 1120 L HN 0.609 nan 8.230 nan 0.000 0.523 1121 E N -0.706 119.602 120.200 0.180 0.000 2.248 1121 E HA 0.214 4.568 4.350 0.005 0.000 0.272 1121 E C -1.783 174.886 176.600 0.115 0.000 1.008 1121 E CA -1.626 54.871 56.400 0.162 0.000 0.856 1121 E CB 1.297 31.131 29.700 0.224 0.000 1.120 1121 E HN 0.239 nan 8.360 nan 0.000 0.397 1122 P HA -0.330 nan 4.420 nan 0.000 0.227 1122 P C 0.954 178.234 177.300 -0.032 0.000 0.791 1122 P CA 2.219 65.319 63.100 0.001 0.000 1.075 1122 P CB -0.100 31.588 31.700 -0.021 0.000 0.728 1123 G N -0.789 107.933 108.800 -0.131 0.000 2.511 1123 G HA2 -0.218 3.745 3.960 0.005 0.000 0.216 1123 G HA3 -0.218 3.745 3.960 0.005 0.000 0.216 1123 G C 0.282 175.101 174.900 -0.135 0.000 1.218 1123 G CA 0.685 45.670 45.100 -0.191 0.000 0.788 1123 G HN 0.453 nan 8.290 nan 0.000 0.560 1124 H N 1.494 120.588 119.070 0.039 0.000 3.327 1124 H HA 0.272 4.831 4.556 0.005 0.000 0.229 1124 H C 0.910 176.282 175.328 0.074 0.000 0.895 1124 H CA 0.489 56.565 56.048 0.046 0.000 1.380 1124 H CB -0.027 29.756 29.762 0.035 0.000 1.545 1124 H HN 0.349 nan 8.280 nan 0.000 0.509 1125 A N 3.359 126.282 122.820 0.172 0.000 1.857 1125 A HA 0.428 4.751 4.320 0.005 0.000 0.192 1125 A C 2.001 179.733 177.584 0.247 0.000 2.203 1125 A CA 0.362 52.509 52.037 0.184 0.000 1.377 1125 A CB -0.717 18.362 19.000 0.131 0.000 0.976 1125 A HN 0.540 nan 8.150 nan 0.000 0.594 1126 A N 0.144 123.095 122.820 0.218 0.000 2.272 1126 A HA -0.023 4.300 4.320 0.005 0.000 0.213 1126 A C 0.441 178.162 177.584 0.229 0.000 1.183 1126 A CA 0.972 53.179 52.037 0.285 0.000 0.719 1126 A CB -0.768 18.343 19.000 0.184 0.000 0.771 1126 A HN 0.421 nan 8.150 nan 0.000 0.484 1127 D N 0.467 120.947 120.400 0.134 0.000 2.542 1127 D HA 0.039 4.683 4.640 0.005 0.000 0.242 1127 D C 1.496 177.689 176.300 -0.179 0.000 1.207 1127 D CA 0.317 54.324 54.000 0.013 0.000 1.172 1127 D CB 0.360 41.186 40.800 0.044 0.000 1.126 1127 D HN 0.545 nan 8.370 nan 0.000 0.500 1128 Q N 2.235 121.850 119.800 -0.309 0.000 2.103 1128 Q HA -0.291 4.052 4.340 0.005 0.000 0.213 1128 Q C 1.624 177.280 176.000 -0.574 0.000 1.008 1128 Q CA 2.168 57.526 55.803 -0.742 0.000 0.879 1128 Q CB -0.101 28.365 28.738 -0.453 0.000 0.946 1128 Q HN 0.580 nan 8.270 nan 0.000 0.413 1129 E N -1.130 118.882 120.200 -0.314 0.000 2.072 1129 E HA -0.250 4.103 4.350 0.005 0.000 0.191 1129 E C 1.982 178.459 176.600 -0.203 0.000 0.985 1129 E CA 1.012 57.270 56.400 -0.237 0.000 0.801 1129 E CB -0.191 29.417 29.700 -0.154 0.000 0.750 1129 E HN 0.464 nan 8.360 nan 0.000 0.452 1130 Q N 0.768 120.469 119.800 -0.166 0.000 2.268 1130 Q HA -0.222 4.122 4.340 0.005 0.000 0.210 1130 Q C 1.604 177.526 176.000 -0.130 0.000 0.988 1130 Q CA 1.920 57.641 55.803 -0.138 0.000 0.883 1130 Q CB -0.426 28.258 28.738 -0.091 0.000 0.911 1130 Q HN 0.361 nan 8.270 nan 0.000 0.430 1131 A N 0.396 123.115 122.820 -0.169 0.000 1.841 1131 A HA -0.197 4.126 4.320 0.005 0.000 0.214 1131 A C 1.939 179.443 177.584 -0.133 0.000 1.195 1131 A CA 1.641 53.598 52.037 -0.134 0.000 0.611 1131 A CB -0.516 18.364 19.000 -0.200 0.000 0.835 1131 A HN 0.434 nan 8.150 nan 0.000 0.443 1132 K N -0.240 120.049 120.400 -0.186 0.000 2.015 1132 K HA -0.218 4.105 4.320 0.005 0.000 0.220 1132 K C 1.791 178.322 176.600 -0.115 0.000 1.055 1132 K CA 1.879 58.071 56.287 -0.159 0.000 0.951 1132 K CB -0.768 31.626 32.500 -0.176 0.000 0.725 1132 K HN 0.444 nan 8.250 nan 0.000 0.449 1133 L N 0.772 121.927 121.223 -0.113 0.000 2.211 1133 L HA -0.258 4.085 4.340 0.005 0.000 0.216 1133 L C 2.227 179.054 176.870 -0.071 0.000 1.092 1133 L CA 1.236 56.021 54.840 -0.091 0.000 0.767 1133 L CB -0.565 41.434 42.059 -0.100 0.000 0.894 1133 L HN 0.292 nan 8.230 nan 0.000 0.437 1134 I N -1.878 118.653 120.570 -0.065 0.000 2.628 1134 I HA -0.113 4.060 4.170 0.005 0.000 0.255 1134 I C 2.661 178.761 176.117 -0.029 0.000 1.119 1134 I CA 0.225 61.501 61.300 -0.039 0.000 1.448 1134 I CB -0.421 37.564 38.000 -0.025 0.000 1.133 1134 I HN 0.164 nan 8.210 nan 0.000 0.438 1135 R N 2.251 122.727 120.500 -0.040 0.000 2.122 1135 R HA -0.246 4.097 4.340 0.005 0.000 0.236 1135 R C 2.241 178.531 176.300 -0.017 0.000 1.129 1135 R CA 2.794 58.877 56.100 -0.027 0.000 0.925 1135 R CB -0.644 29.622 30.300 -0.057 0.000 0.850 1135 R HN 0.444 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 0.033 4.507 4.470 0.005 0.000 0.240 1136 S C 1.442 176.029 174.600 -0.023 0.000 0.975 1136 S CA 0.722 58.903 58.200 -0.032 0.000 0.949 1136 S CB 0.242 63.410 63.200 -0.053 0.000 0.761 1136 S HN 0.538 nan 8.310 nan 0.000 0.536 1137 A N 0.297 123.107 122.820 -0.018 0.000 2.343 1137 A HA 0.563 4.886 4.320 0.005 0.000 0.223 1137 A C 1.596 179.183 177.584 0.004 0.000 1.214 1137 A CA -0.123 51.907 52.037 -0.012 0.000 0.900 1137 A CB -0.060 18.929 19.000 -0.019 0.000 0.942 1137 A HN 0.558 nan 8.150 nan 0.000 0.507 1138 I N -0.998 119.579 120.570 0.013 0.000 3.132 1138 I HA 0.088 4.262 4.170 0.005 0.000 0.255 1138 I C 0.990 177.135 176.117 0.047 0.000 1.118 1138 I CA -0.080 61.236 61.300 0.026 0.000 1.463 1138 I CB -0.307 37.706 38.000 0.022 0.000 1.356 1138 I HN 0.317 nan 8.210 nan 0.000 0.463 1139 E N 2.801 123.031 120.200 0.051 0.000 2.694 1139 E HA -0.214 4.139 4.350 0.005 0.000 0.250 1139 E C -0.092 176.566 176.600 0.098 0.000 0.963 1139 E CA 0.126 56.571 56.400 0.076 0.000 0.949 1139 E CB 0.172 29.921 29.700 0.082 0.000 0.911 1139 E HN 0.193 nan 8.360 nan 0.000 0.500 1140 H N 3.437 122.508 119.070 0.001 0.000 2.975 1140 H HA 0.147 4.706 4.556 0.005 0.000 0.303 1140 H C -1.027 174.298 175.328 -0.006 0.000 1.023 1140 H CA 0.481 56.525 56.048 -0.006 0.000 1.473 1140 H CB 0.621 30.378 29.762 -0.009 0.000 1.498 1140 H HN 0.371 nan 8.280 nan 0.000 0.549 1141 T N 5.096 119.483 114.554 -0.278 0.000 2.841 1141 T HA 0.345 4.698 4.350 0.005 0.000 0.285 1141 T C -0.620 173.880 174.700 -0.332 0.000 0.991 1141 T CA -0.856 61.111 62.100 -0.223 0.000 0.966 1141 T CB 0.919 69.721 68.868 -0.111 0.000 0.962 1141 T HN 0.710 nan 8.240 nan 0.000 0.438 1142 T N 1.187 115.589 114.554 -0.255 0.000 2.856 1142 T HA 0.448 4.801 4.350 0.005 0.000 0.283 1142 T C 1.210 175.845 174.700 -0.108 0.000 1.008 1142 T CA -0.932 61.049 62.100 -0.199 0.000 0.997 1142 T CB 1.423 70.200 68.868 -0.151 0.000 0.992 1142 T HN 0.235 nan 8.240 nan 0.000 0.454 1143 L N 1.793 122.963 121.223 -0.087 0.000 2.089 1143 L HA -0.104 4.239 4.340 0.005 0.000 0.213 1143 L C 2.434 179.279 176.870 -0.041 0.000 1.079 1143 L CA 1.965 56.769 54.840 -0.060 0.000 0.758 1143 L CB -0.861 41.173 42.059 -0.041 0.000 0.891 1143 L HN 0.929 nan 8.230 nan 0.000 0.433 1144 K N -0.935 119.445 120.400 -0.033 0.000 2.281 1144 K HA -0.150 4.173 4.320 0.005 0.000 0.203 1144 K C 1.918 178.507 176.600 -0.019 0.000 1.046 1144 K CA 1.357 57.633 56.287 -0.018 0.000 0.938 1144 K CB -0.104 32.391 32.500 -0.008 0.000 0.737 1144 K HN 0.656 nan 8.250 nan 0.000 0.458 1145 S N -0.629 115.052 115.700 -0.031 0.000 2.496 1145 S HA -0.034 4.439 4.470 0.005 0.000 0.224 1145 S C 1.541 176.127 174.600 -0.023 0.000 0.996 1145 S CA 0.515 58.700 58.200 -0.025 0.000 0.927 1145 S CB 0.362 63.542 63.200 -0.033 0.000 0.774 1145 S HN 0.205 nan 8.310 nan 0.000 0.524 1146 V N -2.093 117.803 119.914 -0.029 0.000 3.477 1146 V HA 0.341 4.464 4.120 0.005 0.000 0.297 1146 V C 0.336 176.417 176.094 -0.022 0.000 1.433 1146 V CA -0.246 62.037 62.300 -0.028 0.000 1.052 1146 V CB -0.586 31.212 31.823 -0.041 0.000 0.895 1146 V HN 0.252 nan 8.190 nan 0.000 0.438 1147 T N 1.393 115.936 114.554 -0.018 0.000 2.856 1147 T HA 0.578 4.931 4.350 0.005 0.000 0.292 1147 T C 1.068 175.767 174.700 -0.003 0.000 0.980 1147 T CA 0.029 62.123 62.100 -0.011 0.000 1.091 1147 T CB 2.146 71.010 68.868 -0.007 0.000 0.936 1147 T HN 0.167 nan 8.240 nan 0.000 0.503 1148 I N 1.125 121.696 120.570 0.002 0.000 2.927 1148 I HA 0.347 4.520 4.170 0.005 0.000 0.268 1148 I C 1.044 177.170 176.117 0.014 0.000 1.153 1148 I CA 0.212 61.516 61.300 0.007 0.000 1.459 1148 I CB 0.235 38.240 38.000 0.009 0.000 1.149 1148 I HN 0.648 nan 8.210 nan 0.000 0.443 1149 A N 0.205 123.036 122.820 0.018 0.000 2.590 1149 A HA 0.559 4.882 4.320 0.005 0.000 0.296 1149 A C -0.728 176.876 177.584 0.033 0.000 1.050 1149 A CA -0.457 51.597 52.037 0.028 0.000 0.697 1149 A CB 0.988 20.011 19.000 0.037 0.000 1.277 1149 A HN 0.078 nan 8.150 nan 0.000 0.411 1150 S N 0.825 116.548 115.700 0.039 0.000 2.537 1150 S HA 0.892 5.365 4.470 0.005 0.000 0.301 1150 S C -0.639 174.008 174.600 0.078 0.000 1.092 1150 S CA -0.536 57.691 58.200 0.046 0.000 1.048 1150 S CB 1.746 64.965 63.200 0.032 0.000 1.053 1150 S HN 0.715 nan 8.310 nan 0.000 0.501 1151 E N 0.729 121.000 120.200 0.118 0.000 2.383 1151 E HA 0.512 4.866 4.350 0.005 0.000 0.275 1151 E C -1.288 175.464 176.600 0.253 0.000 0.918 1151 E CA -0.750 55.779 56.400 0.216 0.000 0.764 1151 E CB 2.197 32.149 29.700 0.419 0.000 1.252 1151 E HN 0.696 nan 8.360 nan 0.000 0.449 1152 I N 2.395 123.127 120.570 0.270 0.000 2.495 1152 I HA 0.335 4.508 4.170 0.005 0.000 0.277 1152 I C -0.963 175.404 176.117 0.416 0.000 1.045 1152 I CA -0.740 60.725 61.300 0.276 0.000 1.135 1152 I CB 0.064 38.124 38.000 0.100 0.000 1.241 1152 I HN 0.340 nan 8.210 nan 0.000 0.469 1153 Y N 3.857 124.282 120.300 0.208 0.000 2.344 1153 Y HA 0.301 4.854 4.550 0.005 0.000 0.330 1153 Y C -0.262 175.884 175.900 0.409 0.000 1.330 1153 Y CA -0.884 57.367 58.100 0.252 0.000 1.479 1153 Y CB 0.566 39.107 38.460 0.136 0.000 1.428 1153 Y HN 0.402 nan 8.280 nan 0.000 0.544 1154 Y N 1.660 122.157 120.300 0.329 0.000 2.575 1154 Y HA 0.333 4.886 4.550 0.005 0.000 0.326 1154 Y C -1.116 174.756 175.900 -0.046 0.000 0.979 1154 Y CA -0.885 57.207 58.100 -0.013 0.000 1.286 1154 Y CB 0.407 38.756 38.460 -0.185 0.000 1.093 1154 Y HN 0.511 nan 8.280 nan 0.000 0.501 1155 D N 8.627 128.712 120.400 -0.525 0.000 2.440 1155 D HA 0.243 4.886 4.640 0.005 0.000 0.252 1155 D C -2.266 173.708 176.300 -0.544 0.000 1.180 1155 D CA -1.639 52.123 54.000 -0.397 0.000 0.894 1155 D CB 2.423 43.138 40.800 -0.140 0.000 1.111 1155 D HN 0.308 nan 8.370 nan 0.000 0.544 1156 P HA 0.040 nan 4.420 nan 0.000 0.235 1156 P C 0.142 177.306 177.300 -0.228 0.000 1.177 1156 P CA 0.196 63.016 63.100 -0.467 0.000 0.785 1156 P CB 0.799 32.240 31.700 -0.431 0.000 0.885 1157 D N 2.065 122.365 120.400 -0.167 0.000 2.456 1157 D HA 0.127 4.770 4.640 0.005 0.000 0.219 1157 D C -1.422 174.833 176.300 -0.076 0.000 1.126 1157 D CA -2.485 51.461 54.000 -0.092 0.000 0.890 1157 D CB 0.619 41.387 40.800 -0.053 0.000 1.025 1157 D HN 0.077 nan 8.370 nan 0.000 0.511 1158 P HA -0.074 nan 4.420 nan 0.000 0.250 1158 P C 0.314 177.589 177.300 -0.043 0.000 1.239 1158 P CA 0.426 63.482 63.100 -0.073 0.000 0.756 1158 P CB 0.227 31.860 31.700 -0.111 0.000 1.013 1159 R N -0.560 119.942 120.500 0.004 0.000 2.509 1159 R HA 0.218 4.562 4.340 0.005 0.000 0.297 1159 R C 0.210 176.579 176.300 0.115 0.000 0.951 1159 R CA 0.139 56.296 56.100 0.095 0.000 1.103 1159 R CB 0.679 31.061 30.300 0.136 0.000 1.283 1159 R HN 0.213 nan 8.270 nan 0.000 0.534 1160 S N -0.997 114.729 115.700 0.044 0.000 2.558 1160 S HA 0.332 4.805 4.470 0.005 0.000 0.277 1160 S C -0.742 173.860 174.600 0.003 0.000 1.143 1160 S CA -0.816 57.408 58.200 0.039 0.000 0.865 1160 S CB 2.265 65.489 63.200 0.040 0.000 1.102 1160 S HN -0.106 nan 8.310 nan 0.000 0.454 1161 T N 1.738 116.294 114.554 0.005 0.000 2.918 1161 T HA 0.485 4.839 4.350 0.005 0.000 0.286 1161 T C 0.959 175.669 174.700 0.017 0.000 1.026 1161 T CA -0.656 61.440 62.100 -0.007 0.000 1.031 1161 T CB 1.578 70.431 68.868 -0.024 0.000 1.046 1161 T HN 0.677 nan 8.240 nan 0.000 0.479 1162 V N 1.997 121.934 119.914 0.037 0.000 3.592 1162 V HA 0.167 4.290 4.120 0.005 0.000 0.272 1162 V C 0.374 176.524 176.094 0.092 0.000 1.228 1162 V CA 0.758 63.099 62.300 0.069 0.000 1.173 1162 V CB -1.258 30.625 31.823 0.100 0.000 0.873 1162 V HN 0.605 nan 8.190 nan 0.000 0.476 1163 I N 1.529 122.140 120.570 0.069 0.000 2.433 1163 I HA 0.316 4.489 4.170 0.005 0.000 0.292 1163 I C -1.026 175.112 176.117 0.036 0.000 1.001 1163 I CA -2.072 59.270 61.300 0.069 0.000 1.119 1163 I CB 2.100 40.119 38.000 0.032 0.000 1.289 1163 I HN -0.064 nan 8.210 nan 0.000 0.438 1164 P HA -0.184 nan 4.420 nan 0.000 0.210 1164 P C 0.893 178.205 177.300 0.020 0.000 1.189 1164 P CA 1.609 64.727 63.100 0.029 0.000 0.920 1164 P CB 0.155 31.875 31.700 0.032 0.000 0.782 1165 E N -0.249 119.962 120.200 0.018 0.000 2.339 1165 E HA -0.203 4.150 4.350 0.005 0.000 0.201 1165 E C 0.947 177.546 176.600 -0.001 0.000 1.015 1165 E CA 1.296 57.702 56.400 0.010 0.000 0.841 1165 E CB -0.634 29.072 29.700 0.011 0.000 0.754 1165 E HN 0.376 nan 8.360 nan 0.000 0.508 1166 D N -0.210 120.185 120.400 -0.009 0.000 2.349 1166 D HA 0.019 4.662 4.640 0.005 0.000 0.214 1166 D C 1.176 177.473 176.300 -0.006 0.000 1.063 1166 D CA 0.089 54.076 54.000 -0.022 0.000 0.847 1166 D CB 0.257 41.023 40.800 -0.056 0.000 0.933 1166 D HN 0.182 nan 8.370 nan 0.000 0.513 1167 E N 0.690 120.897 120.200 0.012 0.000 2.051 1167 E HA -0.215 4.138 4.350 0.005 0.000 0.192 1167 E C 1.645 178.273 176.600 0.046 0.000 0.991 1167 E CA 0.755 57.174 56.400 0.032 0.000 0.799 1167 E CB 0.026 29.747 29.700 0.035 0.000 0.748 1167 E HN 0.355 nan 8.360 nan 0.000 0.449 1168 E N 0.683 120.905 120.200 0.035 0.000 2.331 1168 E HA -0.187 4.166 4.350 0.005 0.000 0.199 1168 E C 1.865 178.487 176.600 0.035 0.000 1.008 1168 E CA 0.571 56.996 56.400 0.042 0.000 0.843 1168 E CB 0.000 29.717 29.700 0.029 0.000 0.761 1168 E HN 0.283 nan 8.360 nan 0.000 0.507 1169 I N 0.414 120.990 120.570 0.010 0.000 2.500 1169 I HA -0.184 3.989 4.170 0.005 0.000 0.252 1169 I C 2.013 178.100 176.117 -0.050 0.000 1.142 1169 I CA 0.521 61.806 61.300 -0.025 0.000 1.451 1169 I CB -0.087 37.885 38.000 -0.048 0.000 1.093 1169 I HN 0.165 nan 8.210 nan 0.000 0.430 1170 I N 0.168 120.718 120.570 -0.032 0.000 2.333 1170 I HA -0.204 3.969 4.170 0.005 0.000 0.246 1170 I C 2.338 178.382 176.117 -0.122 0.000 1.106 1170 I CA 1.010 62.233 61.300 -0.128 0.000 1.411 1170 I CB -0.655 37.304 38.000 -0.069 0.000 1.082 1170 I HN 0.183 nan 8.210 nan 0.000 0.420 1171 Q N 1.169 121.126 119.800 0.261 0.000 2.234 1171 Q HA -0.133 4.210 4.340 0.005 0.000 0.206 1171 Q C 2.316 178.539 176.000 0.371 0.000 0.980 1171 Q CA 1.285 57.425 55.803 0.561 0.000 0.869 1171 Q CB -0.181 28.729 28.738 0.286 0.000 0.912 1171 Q HN 0.585 nan 8.270 nan 0.000 0.436 1172 L N -1.051 120.255 121.223 0.138 0.000 2.240 1172 L HA -0.102 4.241 4.340 0.005 0.000 0.211 1172 L C 2.022 178.910 176.870 0.031 0.000 1.106 1172 L CA 0.781 55.664 54.840 0.072 0.000 0.793 1172 L CB -0.199 41.872 42.059 0.019 0.000 0.927 1172 L HN 0.242 nan 8.230 nan 0.000 0.446 1173 H N -0.657 118.331 119.070 -0.136 0.000 2.551 1173 H HA 0.025 4.584 4.556 0.005 0.000 0.266 1173 H C 1.823 177.062 175.328 -0.147 0.000 0.964 1173 H CA 0.472 56.407 56.048 -0.189 0.000 1.180 1173 H CB 0.105 29.708 29.762 -0.265 0.000 1.408 1173 H HN 0.130 nan 8.280 nan 0.000 0.563 1174 F N 0.672 120.594 119.950 -0.047 0.000 2.250 1174 F HA -0.212 4.319 4.527 0.005 0.000 0.301 1174 F C 2.371 178.090 175.800 -0.134 0.000 1.077 1174 F CA 1.081 59.040 58.000 -0.068 0.000 1.348 1174 F CB -0.546 38.435 39.000 -0.031 0.000 1.040 1174 F HN 0.216 nan 8.300 nan 0.000 0.509 1175 S N 1.082 116.792 115.700 0.015 0.000 2.812 1175 S HA -0.070 4.403 4.470 0.005 0.000 0.253 1175 S C 0.559 175.094 174.600 -0.107 0.000 0.990 1175 S CA 0.007 58.181 58.200 -0.043 0.000 1.010 1175 S CB -1.884 61.281 63.200 -0.060 0.000 0.787 1175 S HN 0.340 nan 8.310 nan 0.000 0.547 1188 Q N 1.346 121.105 119.800 -0.068 0.000 2.193 1188 Q HA 0.655 4.998 4.340 0.005 0.000 0.246 1188 Q C -0.911 175.071 176.000 -0.029 0.000 0.959 1188 Q CA -0.452 55.319 55.803 -0.053 0.000 0.904 1188 Q CB 2.000 30.677 28.738 -0.102 0.000 1.238 1188 Q HN 0.239 nan 8.270 nan 0.000 0.469 1189 S N 0.653 116.356 115.700 0.005 0.000 2.585 1189 S HA 0.294 4.767 4.470 0.005 0.000 0.277 1189 S C -1.779 172.796 174.600 -0.042 0.000 1.241 1189 S CA -1.776 56.439 58.200 0.025 0.000 1.041 1189 S CB 0.646 63.920 63.200 0.124 0.000 0.987 1189 S HN 0.460 nan 8.310 nan 0.000 0.512 1190 P HA 0.027 nan 4.420 nan 0.000 0.233 1190 P C -0.347 176.689 177.300 -0.440 0.000 1.167 1190 P CA 0.294 63.149 63.100 -0.408 0.000 0.770 1190 P CB -0.033 31.303 31.700 -0.607 0.000 0.837 1191 W N 1.196 122.470 121.300 -0.043 0.000 2.546 1191 W HA 0.299 4.962 4.660 0.005 0.000 0.323 1191 W C 0.514 177.037 176.519 0.008 0.000 1.272 1191 W CA -0.971 56.388 57.345 0.024 0.000 1.404 1191 W CB 0.185 29.693 29.460 0.080 0.000 1.411 1191 W HN -0.089 nan 8.180 nan 0.000 0.480 1192 L N 5.515 126.924 121.223 0.309 0.000 2.375 1192 L HA 0.528 4.871 4.340 0.005 0.000 0.271 1192 L C -0.808 176.172 176.870 0.183 0.000 1.107 1192 L CA -0.642 54.303 54.840 0.174 0.000 0.806 1192 L CB 0.739 42.855 42.059 0.095 0.000 1.146 1192 L HN 0.307 nan 8.230 nan 0.000 0.447 1193 L N 5.294 126.566 121.223 0.081 0.000 2.372 1193 L HA 0.564 4.907 4.340 0.005 0.000 0.273 1193 L C -0.847 176.024 176.870 0.001 0.000 0.989 1193 L CA -0.276 54.597 54.840 0.054 0.000 0.841 1193 L CB 1.142 43.212 42.059 0.017 0.000 1.225 1193 L HN 0.741 nan 8.230 nan 0.000 0.414 1194 R N 4.784 125.283 120.500 -0.001 0.000 2.514 1194 R HA 0.806 5.149 4.340 0.005 0.000 0.301 1194 R C -1.680 174.612 176.300 -0.012 0.000 0.962 1194 R CA -0.589 55.477 56.100 -0.056 0.000 0.882 1194 R CB 1.196 31.380 30.300 -0.193 0.000 1.143 1194 R HN 0.746 nan 8.270 nan 0.000 0.452 1195 L N 3.325 124.537 121.223 -0.017 0.000 2.343 1195 L HA 0.424 4.767 4.340 0.005 0.000 0.278 1195 L C -0.411 176.456 176.870 -0.005 0.000 0.996 1195 L CA -0.587 54.252 54.840 -0.003 0.000 0.831 1195 L CB 1.940 43.996 42.059 -0.004 0.000 1.232 1195 L HN 0.621 nan 8.230 nan 0.000 0.413 1196 E N 4.399 124.601 120.200 0.004 0.000 2.115 1196 E HA 0.458 4.811 4.350 0.005 0.000 0.282 1196 E C -1.123 175.478 176.600 0.000 0.000 0.987 1196 E CA -0.521 55.881 56.400 0.004 0.000 0.797 1196 E CB 1.071 30.780 29.700 0.014 0.000 1.086 1196 E HN 0.490 nan 8.360 nan 0.000 0.397 1197 L N 2.903 124.123 121.223 -0.005 0.000 2.375 1197 L HA 0.339 4.682 4.340 0.005 0.000 0.268 1197 L C 0.381 177.247 176.870 -0.008 0.000 1.058 1197 L CA -0.835 53.998 54.840 -0.012 0.000 0.803 1197 L CB 1.037 43.082 42.059 -0.024 0.000 1.212 1197 L HN 0.488 nan 8.230 nan 0.000 0.451 1198 D N 0.900 121.294 120.400 -0.009 0.000 2.280 1198 D HA 0.134 4.777 4.640 0.005 0.000 0.243 1198 D C 0.811 177.106 176.300 -0.009 0.000 1.129 1198 D CA -0.146 53.850 54.000 -0.006 0.000 0.848 1198 D CB 1.551 42.348 40.800 -0.005 0.000 1.107 1198 D HN 0.414 nan 8.370 nan 0.000 0.471 1199 R N 2.836 123.333 120.500 -0.006 0.000 2.082 1199 R HA -0.188 4.156 4.340 0.005 0.000 0.234 1199 R C 1.989 178.285 176.300 -0.008 0.000 1.136 1199 R CA 1.825 57.921 56.100 -0.007 0.000 0.935 1199 R CB -0.191 30.107 30.300 -0.003 0.000 0.842 1199 R HN 0.577 nan 8.270 nan 0.000 0.430 1200 A N 0.863 123.680 122.820 -0.004 0.000 1.859 1200 A HA -0.264 4.059 4.320 0.005 0.000 0.218 1200 A C 2.344 179.927 177.584 -0.002 0.000 1.209 1200 A CA 2.334 54.370 52.037 -0.002 0.000 0.639 1200 A CB -1.238 17.763 19.000 0.000 0.000 0.835 1200 A HN 0.562 nan 8.150 nan 0.000 0.450 1201 A N -1.824 120.995 122.820 -0.003 0.000 2.139 1201 A HA -0.109 4.215 4.320 0.005 0.000 0.221 1201 A C 1.964 179.542 177.584 -0.010 0.000 1.159 1201 A CA 1.900 53.936 52.037 -0.003 0.000 0.662 1201 A CB -0.458 18.538 19.000 -0.006 0.000 0.796 1201 A HN 0.471 nan 8.150 nan 0.000 0.463 1202 M N -0.345 119.245 119.600 -0.016 0.000 2.595 1202 M HA 0.048 4.532 4.480 0.005 0.000 0.248 1202 M C 0.941 177.226 176.300 -0.025 0.000 1.119 1202 M CA 0.613 55.897 55.300 -0.026 0.000 1.079 1202 M CB -0.873 31.709 32.600 -0.030 0.000 1.472 1202 M HN 0.417 nan 8.290 nan 0.000 0.501 1203 N N -0.037 118.652 118.700 -0.018 0.000 2.499 1203 N HA -0.079 4.664 4.740 0.005 0.000 0.182 1203 N C 1.356 176.854 175.510 -0.020 0.000 1.034 1203 N CA 0.513 53.550 53.050 -0.021 0.000 0.882 1203 N CB -0.068 38.410 38.487 -0.016 0.000 1.125 1203 N HN 0.330 nan 8.380 nan 0.000 0.436 1204 D N 1.478 121.876 120.400 -0.003 0.000 2.126 1204 D HA -0.150 4.493 4.640 0.005 0.000 0.190 1204 D C -0.211 176.092 176.300 0.004 0.000 1.001 1204 D CA 1.232 55.243 54.000 0.018 0.000 0.841 1204 D CB 0.230 41.063 40.800 0.055 0.000 0.949 1204 D HN 0.212 nan 8.370 nan 0.000 0.446 1205 K N 1.731 122.135 120.400 0.006 0.000 2.404 1205 K HA 0.150 4.473 4.320 0.005 0.000 0.257 1205 K C -0.781 175.800 176.600 -0.032 0.000 1.026 1205 K CA -0.687 55.596 56.287 -0.007 0.000 0.951 1205 K CB 1.675 34.179 32.500 0.006 0.000 1.203 1205 K HN -0.010 nan 8.250 nan 0.000 0.446 1206 D N 3.203 123.576 120.400 -0.045 0.000 2.923 1206 D HA -0.094 4.549 4.640 0.005 0.000 0.220 1206 D C -0.377 175.892 176.300 -0.052 0.000 1.099 1206 D CA 1.263 55.233 54.000 -0.049 0.000 0.807 1206 D CB 0.448 41.215 40.800 -0.055 0.000 1.155 1206 D HN 0.366 nan 8.370 nan 0.000 0.524 1207 L N 1.962 123.153 121.223 -0.053 0.000 2.556 1207 L HA 0.307 4.650 4.340 0.005 0.000 0.257 1207 L C -0.422 176.408 176.870 -0.068 0.000 0.955 1207 L CA -0.643 54.158 54.840 -0.066 0.000 0.850 1207 L CB 2.633 44.650 42.059 -0.070 0.000 1.398 1207 L HN 0.156 nan 8.230 nan 0.000 0.412 1208 T N 1.985 116.486 114.554 -0.089 0.000 2.879 1208 T HA 0.280 4.634 4.350 0.005 0.000 0.290 1208 T C 1.010 175.612 174.700 -0.163 0.000 0.993 1208 T CA -0.670 61.376 62.100 -0.090 0.000 0.975 1208 T CB 1.837 70.665 68.868 -0.066 0.000 0.981 1208 T HN 0.426 nan 8.240 nan 0.000 0.439 1209 M N 1.768 121.268 119.600 -0.167 0.000 2.116 1209 M HA -0.141 4.342 4.480 0.005 0.000 0.255 1209 M C 2.434 178.340 176.300 -0.656 0.000 1.075 1209 M CA 2.121 57.221 55.300 -0.333 0.000 1.087 1209 M CB -1.841 30.656 32.600 -0.172 0.000 1.340 1209 M HN 0.845 nan 8.290 nan 0.000 0.402 1210 G N -0.042 108.526 108.800 -0.386 0.000 2.586 1210 G HA2 -0.285 3.678 3.960 0.005 0.000 0.218 1210 G HA3 -0.285 3.678 3.960 0.005 0.000 0.218 1210 G C 1.440 176.081 174.900 -0.432 0.000 1.216 1210 G CA 1.136 46.031 45.100 -0.342 0.000 0.786 1210 G HN 0.566 nan 8.290 nan 0.000 0.583 1211 Q N -0.192 119.451 119.800 -0.262 0.000 1.935 1211 Q HA -0.169 4.174 4.340 0.005 0.000 0.212 1211 Q C 2.811 178.637 176.000 -0.290 0.000 1.008 1211 Q CA 2.057 57.731 55.803 -0.214 0.000 0.868 1211 Q CB -0.825 27.824 28.738 -0.148 0.000 0.946 1211 Q HN 0.307 nan 8.270 nan 0.000 0.418 1212 V N 0.864 120.599 119.914 -0.299 0.000 2.248 1212 V HA -0.391 3.732 4.120 0.005 0.000 0.254 1212 V C 2.212 178.096 176.094 -0.349 0.000 1.050 1212 V CA 2.335 64.462 62.300 -0.288 0.000 1.063 1212 V CB -1.699 29.950 31.823 -0.289 0.000 0.688 1212 V HN 0.730 nan 8.190 nan 0.000 0.474 1213 G N -1.103 107.330 108.800 -0.613 0.000 2.491 1213 G HA2 -0.277 3.686 3.960 0.005 0.000 0.218 1213 G HA3 -0.277 3.686 3.960 0.005 0.000 0.218 1213 G C 1.391 176.044 174.900 -0.411 0.000 1.180 1213 G CA 0.977 45.700 45.100 -0.628 0.000 0.774 1213 G HN 0.559 nan 8.290 nan 0.000 0.562 1214 E N 0.221 120.119 120.200 -0.504 0.000 2.164 1214 E HA -0.250 4.104 4.350 0.005 0.000 0.206 1214 E C 2.579 179.132 176.600 -0.079 0.000 1.032 1214 E CA 1.410 57.717 56.400 -0.155 0.000 0.832 1214 E CB -0.178 29.450 29.700 -0.119 0.000 0.742 1214 E HN 0.241 nan 8.360 nan 0.000 0.460 1215 R N 0.599 121.027 120.500 -0.120 0.000 2.064 1215 R HA -0.029 4.314 4.340 0.005 0.000 0.228 1215 R C 2.514 178.799 176.300 -0.025 0.000 1.144 1215 R CA 1.219 57.276 56.100 -0.072 0.000 0.932 1215 R CB -0.906 29.339 30.300 -0.092 0.000 0.833 1215 R HN 0.176 nan 8.270 nan 0.000 0.429 1216 I N 0.721 121.283 120.570 -0.015 0.000 2.113 1216 I HA -0.427 3.746 4.170 0.005 0.000 0.242 1216 I C 2.410 178.658 176.117 0.218 0.000 1.057 1216 I CA 2.046 63.416 61.300 0.117 0.000 1.314 1216 I CB -0.482 37.574 38.000 0.094 0.000 1.022 1216 I HN 0.240 nan 8.210 nan 0.000 0.408 1217 K N 1.112 121.596 120.400 0.140 0.000 2.057 1217 K HA -0.235 4.088 4.320 0.005 0.000 0.207 1217 K C 2.140 178.830 176.600 0.150 0.000 1.049 1217 K CA 1.784 58.172 56.287 0.168 0.000 0.931 1217 K CB -0.110 32.486 32.500 0.161 0.000 0.714 1217 K HN 0.546 nan 8.250 nan 0.000 0.440 1218 Q N -1.066 118.785 119.800 0.084 0.000 2.482 1218 Q HA -0.001 4.343 4.340 0.005 0.000 0.209 1218 Q C 0.808 176.809 176.000 0.001 0.000 0.961 1218 Q CA 1.091 56.922 55.803 0.046 0.000 0.945 1218 Q CB 0.359 29.110 28.738 0.021 0.000 1.012 1218 Q HN 0.110 nan 8.270 nan 0.000 0.515 1219 T N -0.265 114.278 114.554 -0.018 0.000 3.009 1219 T HA 0.096 4.449 4.350 0.005 0.000 0.258 1219 T C 0.621 175.091 174.700 -0.383 0.000 1.063 1219 T CA 0.678 62.645 62.100 -0.222 0.000 1.139 1219 T CB -0.015 68.655 68.868 -0.331 0.000 0.890 1219 T HN 0.322 nan 8.240 nan 0.000 0.471 1220 F N 0.556 120.514 119.950 0.015 0.000 2.680 1220 F HA 0.399 4.929 4.527 0.005 0.000 0.290 1220 F C 1.185 177.002 175.800 0.029 0.000 1.114 1220 F CA -0.455 57.559 58.000 0.022 0.000 1.333 1220 F CB 0.163 39.179 39.000 0.027 0.000 1.091 1220 F HN -0.082 nan 8.300 nan 0.000 0.606 1221 K N -0.113 120.412 120.400 0.209 0.000 4.789 1221 K HA -0.286 4.037 4.320 0.005 0.000 0.215 1221 K C -0.633 176.050 176.600 0.138 0.000 1.488 1221 K CA 1.166 57.535 56.287 0.136 0.000 0.622 1221 K CB -1.287 31.268 32.500 0.091 0.000 0.708 1221 K HN 0.050 nan 8.250 nan 0.000 0.620 1222 N N 2.813 121.579 118.700 0.109 0.000 2.868 1222 N HA 0.162 4.905 4.740 0.005 0.000 0.252 1222 N C -1.060 174.508 175.510 0.096 0.000 1.130 1222 N CA 0.636 53.745 53.050 0.098 0.000 1.026 1222 N CB 0.327 38.859 38.487 0.075 0.000 1.335 1222 N HN 0.548 nan 8.380 nan 0.000 0.516 1223 D N 0.849 121.312 120.400 0.106 0.000 4.386 1223 D HA -0.047 4.596 4.640 0.005 0.000 0.140 1223 D C -0.875 175.466 176.300 0.068 0.000 0.722 1223 D CA -0.373 53.680 54.000 0.087 0.000 0.660 1223 D CB -1.083 39.772 40.800 0.091 0.000 1.649 1223 D HN 0.228 nan 8.370 nan 0.000 0.401 1224 L N 1.020 122.289 121.223 0.077 0.000 2.929 1224 L HA 0.471 4.814 4.340 0.005 0.000 0.246 1224 L C -2.086 174.833 176.870 0.082 0.000 0.960 1224 L CA -0.703 54.149 54.840 0.019 0.000 1.056 1224 L CB 0.955 42.931 42.059 -0.138 0.000 1.437 1224 L HN 0.024 nan 8.230 nan 0.000 0.514 1225 F N 5.537 125.460 119.950 -0.045 0.000 2.467 1225 F HA 0.706 5.236 4.527 0.005 0.000 0.362 1225 F C -0.484 175.277 175.800 -0.064 0.000 1.090 1225 F CA 0.079 58.045 58.000 -0.056 0.000 1.202 1225 F CB 0.810 39.763 39.000 -0.079 0.000 1.113 1225 F HN 0.234 nan 8.300 nan 0.000 0.541 1226 V N 7.303 126.768 119.914 -0.749 0.000 2.876 1226 V HA 0.568 4.691 4.120 0.005 0.000 0.312 1226 V C -0.159 175.473 176.094 -0.769 0.000 1.085 1226 V CA -0.918 61.052 62.300 -0.549 0.000 0.945 1226 V CB 1.923 33.689 31.823 -0.095 0.000 1.017 1226 V HN 0.699 nan 8.190 nan 0.000 0.428 1227 I N 1.934 122.193 120.570 -0.517 0.000 3.174 1227 I HA 0.770 4.944 4.170 0.005 0.000 0.313 1227 I C -1.536 174.505 176.117 -0.128 0.000 1.155 1227 I CA -0.623 60.307 61.300 -0.616 0.000 0.977 1227 I CB 2.670 40.314 38.000 -0.593 0.000 1.248 1227 I HN 0.916 nan 8.210 nan 0.000 0.453 1228 W N 1.024 122.216 121.300 -0.180 0.000 3.419 1228 W HA 0.629 5.292 4.660 0.005 0.000 0.298 1228 W C -0.597 175.876 176.519 -0.076 0.000 1.260 1228 W CA -0.855 56.419 57.345 -0.117 0.000 1.199 1228 W CB -0.173 29.227 29.460 -0.100 0.000 1.349 1228 W HN 0.592 nan 8.180 nan 0.000 0.557 1229 S N 0.530 116.344 115.700 0.190 0.000 2.647 1229 S HA 0.414 4.887 4.470 0.005 0.000 0.251 1229 S C -0.250 174.466 174.600 0.194 0.000 1.320 1229 S CA -0.174 58.095 58.200 0.115 0.000 0.968 1229 S CB 0.595 63.839 63.200 0.073 0.000 1.005 1229 S HN 0.645 nan 8.310 nan 0.000 0.576 1230 E N -0.366 119.905 120.200 0.118 0.000 2.277 1230 E HA 0.253 4.606 4.350 0.005 0.000 0.266 1230 E C 0.031 176.675 176.600 0.075 0.000 0.901 1230 E CA -0.717 55.754 56.400 0.118 0.000 0.782 1230 E CB 1.350 31.100 29.700 0.082 0.000 1.228 1230 E HN 0.565 nan 8.360 nan 0.000 0.424 1231 D N 1.252 121.691 120.400 0.064 0.000 2.239 1231 D HA -0.214 4.429 4.640 0.005 0.000 0.202 1231 D C 1.173 177.488 176.300 0.025 0.000 0.993 1231 D CA 1.022 55.042 54.000 0.032 0.000 0.874 1231 D CB 0.196 41.010 40.800 0.022 0.000 0.922 1231 D HN 0.389 nan 8.370 nan 0.000 0.464 1232 N N 1.127 119.845 118.700 0.030 0.000 2.062 1232 N HA -0.105 4.638 4.740 0.005 0.000 0.191 1232 N C 0.235 175.757 175.510 0.021 0.000 1.042 1232 N CA 0.695 53.758 53.050 0.022 0.000 0.845 1232 N CB 0.015 38.516 38.487 0.024 0.000 1.024 1232 N HN 0.087 nan 8.380 nan 0.000 0.424 1233 D N 0.730 121.145 120.400 0.025 0.000 2.560 1233 D HA -0.167 4.476 4.640 0.005 0.000 0.226 1233 D C 1.098 177.409 176.300 0.017 0.000 1.222 1233 D CA 0.654 54.667 54.000 0.022 0.000 0.880 1233 D CB 0.414 41.230 40.800 0.027 0.000 1.234 1233 D HN 0.547 nan 8.370 nan 0.000 0.515 1234 E N 0.358 120.567 120.200 0.015 0.000 2.478 1234 E HA -0.014 4.339 4.350 0.005 0.000 0.194 1234 E C -0.052 176.554 176.600 0.011 0.000 1.045 1234 E CA 0.593 57.001 56.400 0.012 0.000 0.868 1234 E CB 0.373 30.080 29.700 0.011 0.000 0.885 1234 E HN 0.172 nan 8.360 nan 0.000 0.505 1235 K N 1.363 121.771 120.400 0.013 0.000 2.578 1235 K HA 0.345 4.668 4.320 0.005 0.000 0.250 1235 K C -1.126 175.482 176.600 0.014 0.000 0.955 1235 K CA -0.536 55.758 56.287 0.012 0.000 0.825 1235 K CB 2.010 34.517 32.500 0.010 0.000 1.151 1235 K HN 0.059 nan 8.250 nan 0.000 0.432 1236 L N 5.254 126.484 121.223 0.012 0.000 2.331 1236 L HA 0.506 4.849 4.340 0.005 0.000 0.278 1236 L C -0.028 176.850 176.870 0.012 0.000 1.106 1236 L CA -0.189 54.660 54.840 0.015 0.000 0.824 1236 L CB 0.269 42.329 42.059 0.003 0.000 1.142 1236 L HN 0.463 nan 8.230 nan 0.000 0.443 1237 I N 3.959 124.545 120.570 0.027 0.000 2.918 1237 I HA 0.426 4.599 4.170 0.005 0.000 0.301 1237 I C -0.916 175.230 176.117 0.049 0.000 1.312 1237 I CA -0.493 60.816 61.300 0.016 0.000 1.007 1237 I CB 3.102 41.097 38.000 -0.009 0.000 1.281 1237 I HN 0.440 nan 8.210 nan 0.000 0.440 1238 I N 4.175 124.760 120.570 0.025 0.000 2.503 1238 I HA 0.399 4.572 4.170 0.005 0.000 0.282 1238 I C -0.489 175.624 176.117 -0.007 0.000 1.059 1238 I CA -0.441 60.890 61.300 0.051 0.000 1.081 1238 I CB 1.470 39.490 38.000 0.033 0.000 1.210 1238 I HN 0.423 nan 8.210 nan 0.000 0.450 1239 R N 4.718 125.196 120.500 -0.036 0.000 2.536 1239 R HA 0.843 5.186 4.340 0.005 0.000 0.279 1239 R C -0.955 175.287 176.300 -0.097 0.000 1.001 1239 R CA -0.531 55.523 56.100 -0.077 0.000 1.027 1239 R CB 1.694 31.935 30.300 -0.100 0.000 1.096 1239 R HN 0.766 nan 8.270 nan 0.000 0.502 1240 C N -0.146 119.111 119.300 -0.071 0.000 3.218 1240 C HA 0.476 4.939 4.460 0.005 0.000 0.420 1240 C C -0.782 174.202 174.990 -0.011 0.000 0.987 1240 C CA -1.398 57.575 59.018 -0.074 0.000 1.196 1240 C CB 1.123 28.800 27.740 -0.105 0.000 1.576 1240 C HN 0.901 nan 8.230 nan 0.000 0.594 1241 R N 1.508 122.037 120.500 0.049 0.000 2.873 1241 R HA 0.889 5.232 4.340 0.005 0.000 0.264 1241 R C -0.625 175.708 176.300 0.055 0.000 1.026 1241 R CA -0.702 55.442 56.100 0.073 0.000 1.002 1241 R CB 1.897 32.257 30.300 0.100 0.000 1.174 1241 R HN 0.620 nan 8.270 nan 0.000 0.488 1242 V N 1.331 121.275 119.914 0.051 0.000 2.997 1242 V HA 0.451 4.575 4.120 0.005 0.000 0.311 1242 V C -0.045 176.079 176.094 0.050 0.000 1.066 1242 V CA -0.478 61.841 62.300 0.032 0.000 1.039 1242 V CB 1.733 33.578 31.823 0.036 0.000 1.081 1242 V HN 0.424 nan 8.190 nan 0.000 0.467 1243 V N 3.069 123.009 119.914 0.044 0.000 3.012 1243 V HA 0.719 4.842 4.120 0.005 0.000 0.307 1243 V C -0.475 175.641 176.094 0.036 0.000 1.166 1243 V CA -0.826 61.497 62.300 0.038 0.000 0.974 1243 V CB 2.395 34.238 31.823 0.034 0.000 1.040 1243 V HN 0.953 nan 8.190 nan 0.000 0.428 1244 R N 1.422 121.939 120.500 0.028 0.000 2.712 1244 R HA 0.547 4.891 4.340 0.005 0.000 0.272 1244 R C -2.765 173.545 176.300 0.016 0.000 1.032 1244 R CA -1.554 54.562 56.100 0.026 0.000 0.874 1244 R CB 1.245 31.564 30.300 0.031 0.000 1.256 1244 R HN 0.567 nan 8.270 nan 0.000 0.468 1255 E N 0.376 120.617 120.200 0.069 0.000 2.326 1255 E HA -0.161 4.192 4.350 0.005 0.000 0.195 1255 E C 0.490 177.114 176.600 0.040 0.000 1.367 1255 E CA 0.760 57.189 56.400 0.047 0.000 0.666 1255 E CB -0.704 28.994 29.700 -0.004 0.000 1.147 1255 E HN 0.775 nan 8.360 nan 0.000 0.384 1256 E N 0.419 120.649 120.200 0.050 0.000 2.170 1256 E HA -0.103 4.251 4.350 0.005 0.000 0.191 1256 E C 1.122 177.599 176.600 -0.204 0.000 0.981 1256 E CA 0.472 56.880 56.400 0.014 0.000 0.830 1256 E CB 0.149 30.005 29.700 0.259 0.000 0.775 1256 E HN 0.409 nan 8.360 nan 0.000 0.470 1257 D N 0.541 120.664 120.400 -0.462 0.000 2.144 1257 D HA -0.164 4.479 4.640 0.005 0.000 0.199 1257 D C 1.912 178.071 176.300 -0.235 0.000 0.984 1257 D CA 0.945 54.604 54.000 -0.569 0.000 0.834 1257 D CB -0.158 40.215 40.800 -0.711 0.000 0.955 1257 D HN 0.210 nan 8.370 nan 0.000 0.465 1258 H N 0.699 119.651 119.070 -0.196 0.000 2.389 1258 H HA -0.012 4.547 4.556 0.005 0.000 0.299 1258 H C 1.983 177.262 175.328 -0.082 0.000 1.081 1258 H CA 0.915 56.896 56.048 -0.113 0.000 1.345 1258 H CB -0.029 29.688 29.762 -0.074 0.000 1.393 1258 H HN 0.143 nan 8.280 nan 0.000 0.520 1259 M N -0.082 119.580 119.600 0.103 0.000 2.216 1259 M HA -0.084 4.400 4.480 0.005 0.000 0.264 1259 M C 1.303 177.613 176.300 0.016 0.000 1.080 1259 M CA 0.701 56.041 55.300 0.066 0.000 1.153 1259 M CB 0.003 32.627 32.600 0.040 0.000 1.356 1259 M HN 0.175 nan 8.290 nan 0.000 0.432 1260 L N 1.306 122.511 121.223 -0.030 0.000 2.798 1260 L HA 0.009 4.352 4.340 0.005 0.000 0.254 1260 L C 1.082 177.921 176.870 -0.052 0.000 1.176 1260 L CA 1.240 56.055 54.840 -0.042 0.000 0.991 1260 L CB -1.084 40.949 42.059 -0.044 0.000 1.225 1260 L HN 0.285 nan 8.230 nan 0.000 0.420 1261 K N -1.714 118.662 120.400 -0.039 0.000 2.511 1261 K HA 0.153 4.476 4.320 0.005 0.000 0.209 1261 K C 1.662 178.257 176.600 -0.008 0.000 1.301 1261 K CA -0.001 56.260 56.287 -0.044 0.000 0.967 1261 K CB 0.472 32.915 32.500 -0.095 0.000 1.109 1261 K HN 0.194 nan 8.250 nan 0.000 0.561 1262 K N 0.511 120.924 120.400 0.021 0.000 2.296 1262 K HA 0.097 4.421 4.320 0.005 0.000 0.200 1262 K C 1.469 178.110 176.600 0.068 0.000 1.048 1262 K CA 0.820 57.137 56.287 0.049 0.000 0.966 1262 K CB 0.279 32.821 32.500 0.071 0.000 0.754 1262 K HN 0.141 nan 8.250 nan 0.000 0.466 1263 I N 0.673 121.275 120.570 0.054 0.000 3.226 1263 I HA -0.109 4.064 4.170 0.005 0.000 0.277 1263 I C 2.224 178.378 176.117 0.061 0.000 1.243 1263 I CA 0.425 61.771 61.300 0.076 0.000 1.459 1263 I CB 0.082 38.053 38.000 -0.048 0.000 1.093 1263 I HN 0.124 nan 8.210 nan 0.000 0.453 1264 E N 2.002 122.219 120.200 0.028 0.000 2.077 1264 E HA -0.219 4.134 4.350 0.005 0.000 0.193 1264 E C 1.715 178.340 176.600 0.042 0.000 0.989 1264 E CA 1.769 58.183 56.400 0.023 0.000 0.800 1264 E CB -0.068 29.634 29.700 0.004 0.000 0.746 1264 E HN 0.372 nan 8.360 nan 0.000 0.452 1265 N N -0.437 118.291 118.700 0.046 0.000 2.258 1265 N HA -0.043 4.700 4.740 0.005 0.000 0.183 1265 N C 1.699 177.249 175.510 0.067 0.000 1.029 1265 N CA 1.701 54.779 53.050 0.046 0.000 0.857 1265 N CB -0.738 37.769 38.487 0.033 0.000 1.008 1265 N HN 0.193 nan 8.380 nan 0.000 0.433 1266 T N 1.702 116.312 114.554 0.094 0.000 2.848 1266 T HA -0.083 4.271 4.350 0.005 0.000 0.269 1266 T C 1.810 176.584 174.700 0.124 0.000 1.081 1266 T CA 0.954 63.118 62.100 0.106 0.000 1.125 1266 T CB -0.038 68.926 68.868 0.161 0.000 0.848 1266 T HN 0.221 nan 8.240 nan 0.000 0.503 1267 M N -0.285 119.411 119.600 0.160 0.000 2.435 1267 M HA 0.202 4.685 4.480 0.005 0.000 0.265 1267 M C 1.660 178.000 176.300 0.068 0.000 1.104 1267 M CA 0.947 56.340 55.300 0.155 0.000 1.140 1267 M CB 0.011 32.706 32.600 0.158 0.000 1.372 1267 M HN 0.251 nan 8.290 nan 0.000 0.456 1268 L N -0.989 120.264 121.223 0.050 0.000 2.529 1268 L HA -0.010 4.333 4.340 0.005 0.000 0.223 1268 L C 1.201 178.081 176.870 0.017 0.000 1.113 1268 L CA 0.680 55.535 54.840 0.025 0.000 0.861 1268 L CB 0.053 42.125 42.059 0.022 0.000 1.012 1268 L HN 0.291 nan 8.230 nan 0.000 0.461 1269 E N -1.626 118.588 120.200 0.023 0.000 2.603 1269 E HA 0.091 4.444 4.350 0.005 0.000 0.218 1269 E C 0.723 177.339 176.600 0.026 0.000 0.878 1269 E CA -0.142 56.272 56.400 0.024 0.000 1.348 1269 E CB 0.508 30.224 29.700 0.026 0.000 1.318 1269 E HN 0.215 nan 8.360 nan 0.000 0.673 1270 N N 0.744 119.451 118.700 0.013 0.000 2.270 1270 N HA 0.196 4.939 4.740 0.005 0.000 0.198 1270 N C -0.362 175.132 175.510 -0.028 0.000 1.117 1270 N CA 0.320 53.368 53.050 -0.004 0.000 0.845 1270 N CB 1.225 39.701 38.487 -0.019 0.000 0.980 1270 N HN 0.145 nan 8.380 nan 0.000 0.486 1271 I N 0.954 121.509 120.570 -0.026 0.000 2.406 1271 I HA 0.172 4.345 4.170 0.005 0.000 0.290 1271 I C -0.533 175.544 176.117 -0.067 0.000 0.999 1271 I CA -0.183 61.086 61.300 -0.052 0.000 1.124 1271 I CB 1.630 39.604 38.000 -0.043 0.000 1.289 1271 I HN -0.203 nan 8.210 nan 0.000 0.441 1272 T N 6.965 121.474 114.554 -0.076 0.000 2.855 1272 T HA 0.397 4.750 4.350 0.005 0.000 0.281 1272 T C 0.532 175.161 174.700 -0.120 0.000 1.007 1272 T CA -0.480 61.539 62.100 -0.136 0.000 1.009 1272 T CB 2.318 71.154 68.868 -0.053 0.000 0.983 1272 T HN 0.288 nan 8.240 nan 0.000 0.455 1273 L N 1.279 122.412 121.223 -0.151 0.000 2.356 1273 L HA 0.458 4.801 4.340 0.005 0.000 0.193 1273 L C 1.052 177.867 176.870 -0.091 0.000 1.087 1273 L CA 1.047 55.818 54.840 -0.114 0.000 0.817 1273 L CB -0.140 41.848 42.059 -0.118 0.000 1.035 1273 L HN 0.419 nan 8.230 nan 0.000 0.482 1274 R N -1.235 119.208 120.500 -0.095 0.000 2.686 1274 R HA 0.571 4.915 4.340 0.005 0.000 0.283 1274 R C -0.742 175.540 176.300 -0.029 0.000 0.978 1274 R CA 0.012 56.078 56.100 -0.055 0.000 0.897 1274 R CB 1.939 32.208 30.300 -0.051 0.000 1.192 1274 R HN 0.278 nan 8.270 nan 0.000 0.457 1275 G N 0.495 109.303 108.800 0.014 0.000 2.434 1275 G HA2 -0.079 3.884 3.960 0.005 0.000 0.671 1275 G HA3 -0.079 3.884 3.960 0.005 0.000 0.671 1275 G C -1.666 173.301 174.900 0.111 0.000 1.280 1275 G CA -0.728 44.412 45.100 0.067 0.000 0.975 1275 G HN 0.475 nan 8.290 nan 0.000 0.510 1276 V N 0.739 120.723 119.914 0.117 0.000 2.540 1276 V HA 0.604 4.727 4.120 0.005 0.000 0.302 1276 V C 0.764 176.858 176.094 0.000 0.000 1.035 1276 V CA -0.170 62.171 62.300 0.069 0.000 0.873 1276 V CB 1.370 33.208 31.823 0.024 0.000 0.992 1276 V HN 1.290 nan 8.190 nan 0.000 0.428 1277 E N 4.220 124.359 120.200 -0.102 0.000 2.516 1277 E HA -0.094 4.259 4.350 0.005 0.000 0.270 1277 E C 0.583 177.018 176.600 -0.275 0.000 1.130 1277 E CA 0.467 56.646 56.400 -0.369 0.000 1.023 1277 E CB 0.041 29.601 29.700 -0.233 0.000 1.004 1277 E HN 0.654 nan 8.360 nan 0.000 0.463 1278 N N -0.499 118.006 118.700 -0.326 0.000 2.626 1278 N HA -0.267 4.477 4.740 0.005 0.000 0.225 1278 N C 0.117 175.556 175.510 -0.119 0.000 0.854 1278 N CA 2.055 54.999 53.050 -0.176 0.000 1.911 1278 N CB -1.272 37.150 38.487 -0.108 0.000 0.892 1278 N HN 0.614 nan 8.380 nan 0.000 0.558 1279 I N 3.103 123.615 120.570 -0.098 0.000 2.455 1279 I HA -0.030 4.144 4.170 0.005 0.000 0.303 1279 I C 1.389 177.511 176.117 0.008 0.000 1.180 1279 I CA 0.461 61.742 61.300 -0.032 0.000 1.469 1279 I CB -0.155 37.840 38.000 -0.009 0.000 1.480 1279 I HN 0.164 nan 8.210 nan 0.000 0.669 1280 E N 5.688 125.891 120.200 0.004 0.000 4.347 1280 E HA 0.187 4.541 4.350 0.005 0.000 0.570 1280 E C 0.378 176.992 176.600 0.023 0.000 0.612 1280 E CA -0.716 55.703 56.400 0.031 0.000 3.726 1280 E CB 0.276 29.984 29.700 0.013 0.000 2.281 1280 E HN 0.455 nan 8.360 nan 0.000 0.382 1281 R N -0.125 120.372 120.500 -0.006 0.000 2.445 1281 R HA -0.090 4.253 4.340 0.005 0.000 0.276 1281 R C -0.877 175.432 176.300 0.016 0.000 0.960 1281 R CA 0.241 56.322 56.100 -0.032 0.000 1.087 1281 R CB -0.227 30.036 30.300 -0.063 0.000 0.848 1281 R HN 0.114 nan 8.270 nan 0.000 0.429 1282 V N 2.976 122.926 119.914 0.061 0.000 2.610 1282 V HA 0.262 4.385 4.120 0.005 0.000 0.298 1282 V C -0.328 175.860 176.094 0.157 0.000 1.067 1282 V CA -0.784 61.571 62.300 0.092 0.000 0.894 1282 V CB 1.969 33.848 31.823 0.093 0.000 1.015 1282 V HN 0.509 nan 8.190 nan 0.000 0.432 1283 V N 4.780 124.756 119.914 0.104 0.000 2.994 1283 V HA 0.601 4.724 4.120 0.005 0.000 0.318 1283 V C 0.008 176.147 176.094 0.075 0.000 1.085 1283 V CA -0.796 61.579 62.300 0.124 0.000 0.998 1283 V CB 2.244 34.123 31.823 0.095 0.000 1.063 1283 V HN 0.789 nan 8.190 nan 0.000 0.447 1284 M N 3.255 122.917 119.600 0.103 0.000 2.423 1284 M HA 0.659 5.142 4.480 0.005 0.000 0.335 1284 M C -0.903 175.474 176.300 0.127 0.000 1.177 1284 M CA -0.328 55.063 55.300 0.151 0.000 1.038 1284 M CB 1.753 34.504 32.600 0.251 0.000 1.641 1284 M HN 0.399 nan 8.290 nan 0.000 0.455 1285 M N 1.768 121.380 119.600 0.020 0.000 2.413 1285 M HA 0.318 4.802 4.480 0.005 0.000 0.287 1285 M C -1.279 174.705 176.300 -0.527 0.000 1.186 1285 M CA -0.551 54.594 55.300 -0.258 0.000 0.927 1285 M CB 2.496 34.849 32.600 -0.410 0.000 1.715 1285 M HN 0.554 nan 8.290 nan 0.000 0.478 1286 K N 2.688 122.700 120.400 -0.648 0.000 2.290 1286 K HA 0.412 4.735 4.320 0.005 0.000 0.250 1286 K C -1.261 175.204 176.600 -0.225 0.000 1.092 1286 K CA -0.056 55.780 56.287 -0.751 0.000 1.006 1286 K CB 0.455 32.356 32.500 -0.998 0.000 1.549 1286 K HN 0.573 nan 8.250 nan 0.000 0.436 1287 Y N 1.123 121.319 120.300 -0.174 0.000 2.301 1287 Y HA 0.060 4.613 4.550 0.005 0.000 0.328 1287 Y C 0.679 176.553 175.900 -0.042 0.000 1.242 1287 Y CA -1.118 56.946 58.100 -0.060 0.000 1.323 1287 Y CB 0.926 39.406 38.460 0.033 0.000 1.266 1287 Y HN 0.379 nan 8.280 nan 0.000 0.527 1288 D N 3.054 123.541 120.400 0.144 0.000 2.316 1288 D HA 0.148 4.791 4.640 0.005 0.000 0.245 1288 D C -0.403 175.953 176.300 0.093 0.000 1.171 1288 D CA -0.023 54.023 54.000 0.077 0.000 0.856 1288 D CB 1.161 41.985 40.800 0.040 0.000 1.090 1288 D HN 0.363 nan 8.370 nan 0.000 0.476 1289 R N 2.847 123.404 120.500 0.095 0.000 2.473 1289 R HA 0.180 4.523 4.340 0.005 0.000 0.303 1289 R C -0.534 175.818 176.300 0.088 0.000 1.002 1289 R CA -0.678 55.480 56.100 0.098 0.000 0.884 1289 R CB 1.127 31.495 30.300 0.114 0.000 1.173 1289 R HN 0.224 nan 8.270 nan 0.000 0.464 1290 K N 2.285 122.750 120.400 0.109 0.000 2.295 1290 K HA 0.388 4.711 4.320 0.005 0.000 0.270 1290 K C -0.637 176.055 176.600 0.152 0.000 1.011 1290 K CA -0.370 56.011 56.287 0.157 0.000 0.953 1290 K CB 1.599 34.234 32.500 0.225 0.000 0.956 1290 K HN 0.216 nan 8.250 nan 0.000 0.477 1291 V N 2.925 122.878 119.914 0.065 0.000 3.225 1291 V HA 0.159 4.282 4.120 0.005 0.000 0.293 1291 V C -2.623 173.248 176.094 -0.371 0.000 1.405 1291 V CA -1.930 60.290 62.300 -0.134 0.000 1.038 1291 V CB 2.478 34.258 31.823 -0.072 0.000 1.123 1291 V HN 0.597 nan 8.190 nan 0.000 0.447 1292 P HA 0.083 nan 4.420 nan 0.000 0.258 1292 P C -0.206 176.947 177.300 -0.245 0.000 1.214 1292 P CA 0.738 63.541 63.100 -0.496 0.000 0.872 1292 P CB 0.193 31.661 31.700 -0.386 0.000 0.890 1293 S N 5.625 121.214 115.700 -0.186 0.000 2.576 1293 S HA 0.105 4.578 4.470 0.005 0.000 0.272 1293 S C -0.697 173.851 174.600 -0.086 0.000 1.352 1293 S CA -1.171 56.972 58.200 -0.094 0.000 1.021 1293 S CB -0.048 63.122 63.200 -0.051 0.000 0.887 1293 S HN 0.305 nan 8.310 nan 0.000 0.542 1294 P HA -0.090 nan 4.420 nan 0.000 0.218 1294 P C 1.439 178.717 177.300 -0.038 0.000 1.149 1294 P CA 1.481 64.553 63.100 -0.047 0.000 0.817 1294 P CB -0.451 31.230 31.700 -0.031 0.000 0.785 1295 T N -2.663 111.876 114.554 -0.026 0.000 3.007 1295 T HA 0.128 4.481 4.350 0.005 0.000 0.270 1295 T C 1.477 176.171 174.700 -0.010 0.000 1.107 1295 T CA 1.938 64.032 62.100 -0.010 0.000 1.118 1295 T CB -0.726 68.143 68.868 0.003 0.000 0.889 1295 T HN 0.325 nan 8.240 nan 0.000 0.506 1296 G N 0.352 109.132 108.800 -0.033 0.000 2.391 1296 G HA2 -0.157 3.806 3.960 0.005 0.000 0.204 1296 G HA3 -0.157 3.806 3.960 0.005 0.000 0.204 1296 G C -0.064 174.828 174.900 -0.014 0.000 1.012 1296 G CA -0.039 45.041 45.100 -0.034 0.000 0.651 1296 G HN 0.651 nan 8.290 nan 0.000 0.494 1297 E N -0.307 119.901 120.200 0.014 0.000 2.428 1297 E HA 0.461 4.815 4.350 0.005 0.000 0.257 1297 E C -0.720 175.909 176.600 0.048 0.000 1.197 1297 E CA -0.174 56.267 56.400 0.068 0.000 0.974 1297 E CB 0.655 30.390 29.700 0.058 0.000 0.976 1297 E HN 0.311 nan 8.360 nan 0.000 0.463 1298 Y N 0.065 120.371 120.300 0.009 0.000 2.331 1298 Y HA 0.377 4.930 4.550 0.005 0.000 0.338 1298 Y C -0.426 175.481 175.900 0.011 0.000 0.992 1298 Y CA -0.447 57.658 58.100 0.009 0.000 1.121 1298 Y CB 1.216 39.683 38.460 0.012 0.000 1.184 1298 Y HN 0.162 nan 8.280 nan 0.000 0.469 1299 V N 3.110 123.082 119.914 0.096 0.000 3.078 1299 V HA 0.345 4.468 4.120 0.005 0.000 0.311 1299 V C -0.942 175.192 176.094 0.067 0.000 1.138 1299 V CA -1.980 60.365 62.300 0.076 0.000 1.007 1299 V CB 2.311 34.157 31.823 0.038 0.000 1.045 1299 V HN 0.522 nan 8.190 nan 0.000 0.432 1300 K N 2.172 122.607 120.400 0.058 0.000 2.307 1300 K HA 0.166 4.489 4.320 0.005 0.000 0.285 1300 K C -0.056 176.568 176.600 0.040 0.000 1.073 1300 K CA 0.354 56.672 56.287 0.051 0.000 0.996 1300 K CB 0.324 32.849 32.500 0.041 0.000 0.994 1300 K HN 0.649 nan 8.250 nan 0.000 0.452 1301 E N 5.240 125.465 120.200 0.041 0.000 2.916 1301 E HA 0.132 4.486 4.350 0.005 0.000 0.217 1301 E C -2.202 174.425 176.600 0.045 0.000 1.100 1301 E CA -2.278 54.144 56.400 0.036 0.000 0.891 1301 E CB 0.577 30.292 29.700 0.025 0.000 1.311 1301 E HN 0.343 nan 8.360 nan 0.000 0.421 1302 P HA -0.088 nan 4.420 nan 0.000 0.269 1302 P C -0.782 176.536 177.300 0.029 0.000 1.211 1302 P CA 0.493 63.604 63.100 0.019 0.000 0.781 1302 P CB 0.649 32.330 31.700 -0.032 0.000 0.877 1303 E N 0.145 120.356 120.200 0.018 0.000 2.366 1303 E HA 0.413 4.767 4.350 0.005 0.000 0.278 1303 E C -1.500 175.090 176.600 -0.016 0.000 0.923 1303 E CA -0.979 55.466 56.400 0.075 0.000 0.761 1303 E CB 0.656 30.449 29.700 0.155 0.000 1.231 1303 E HN 0.255 nan 8.360 nan 0.000 0.443 1304 W N 1.639 122.953 121.300 0.024 0.000 2.251 1304 W HA 0.517 5.180 4.660 0.005 0.000 0.329 1304 W C -0.494 175.981 176.519 -0.074 0.000 1.234 1304 W CA -0.023 57.296 57.345 -0.044 0.000 1.228 1304 W CB 1.470 30.912 29.460 -0.030 0.000 1.135 1304 W HN 0.326 nan 8.180 nan 0.000 0.576 1305 V N 3.471 123.392 119.914 0.012 0.000 3.147 1305 V HA 0.418 4.541 4.120 0.005 0.000 0.306 1305 V C -0.506 175.503 176.094 -0.142 0.000 1.209 1305 V CA -1.381 60.846 62.300 -0.122 0.000 1.023 1305 V CB 1.842 33.451 31.823 -0.357 0.000 1.059 1305 V HN 0.269 nan 8.190 nan 0.000 0.435 1306 L N 2.048 123.201 121.223 -0.117 0.000 2.309 1306 L HA 0.635 4.978 4.340 0.005 0.000 0.282 1306 L C -0.135 176.679 176.870 -0.094 0.000 1.036 1306 L CA -0.399 54.398 54.840 -0.072 0.000 0.806 1306 L CB 1.392 43.435 42.059 -0.027 0.000 1.220 1306 L HN 0.640 nan 8.230 nan 0.000 0.429 1307 E N 1.453 121.623 120.200 -0.050 0.000 2.171 1307 E HA 0.323 4.676 4.350 0.005 0.000 0.271 1307 E C -0.552 176.046 176.600 -0.003 0.000 0.916 1307 E CA -0.386 56.000 56.400 -0.024 0.000 0.774 1307 E CB 2.791 32.494 29.700 0.006 0.000 1.128 1307 E HN 0.525 nan 8.360 nan 0.000 0.403 1308 T N 0.542 115.092 114.554 -0.008 0.000 2.973 1308 T HA 0.131 4.484 4.350 0.005 0.000 0.308 1308 T C -0.058 174.640 174.700 -0.002 0.000 1.177 1308 T CA -0.052 62.047 62.100 -0.002 0.000 0.938 1308 T CB 0.489 69.352 68.868 -0.008 0.000 1.791 1308 T HN 0.481 nan 8.240 nan 0.000 0.581 1309 D N -0.842 119.554 120.400 -0.006 0.000 3.048 1309 D HA 0.250 4.893 4.640 0.005 0.000 0.290 1309 D C -0.255 176.036 176.300 -0.014 0.000 1.667 1309 D CA -0.007 53.987 54.000 -0.010 0.000 0.835 1309 D CB 0.212 41.007 40.800 -0.010 0.000 1.438 1309 D HN 0.724 nan 8.370 nan 0.000 0.463 1310 G N -0.409 108.381 108.800 -0.017 0.000 2.623 1310 G HA2 0.505 4.469 3.960 0.005 0.000 0.290 1310 G HA3 0.505 4.469 3.960 0.005 0.000 0.290 1310 G C -1.625 173.260 174.900 -0.025 0.000 1.437 1310 G CA -0.343 44.742 45.100 -0.025 0.000 0.798 1310 G HN -0.058 nan 8.290 nan 0.000 0.488 1311 V N 1.773 121.670 119.914 -0.028 0.000 2.445 1311 V HA 0.483 4.607 4.120 0.005 0.000 0.283 1311 V C -0.702 175.378 176.094 -0.023 0.000 1.014 1311 V CA -0.942 61.344 62.300 -0.023 0.000 0.852 1311 V CB 1.515 33.325 31.823 -0.021 0.000 1.021 1311 V HN 0.720 nan 8.190 nan 0.000 0.435 1312 N N 4.260 122.950 118.700 -0.017 0.000 2.750 1312 N HA 0.178 4.921 4.740 0.005 0.000 0.253 1312 N C 0.500 176.010 175.510 0.000 0.000 1.408 1312 N CA -0.355 52.686 53.050 -0.015 0.000 0.780 1312 N CB 1.482 39.954 38.487 -0.025 0.000 1.191 1312 N HN 0.530 nan 8.380 nan 0.000 0.511 1313 L N 2.679 123.908 121.223 0.009 0.000 1.933 1313 L HA -0.179 4.164 4.340 0.005 0.000 0.220 1313 L C 2.361 179.247 176.870 0.025 0.000 1.078 1313 L CA 2.541 57.396 54.840 0.025 0.000 0.773 1313 L CB -1.156 40.924 42.059 0.036 0.000 0.890 1313 L HN 0.599 nan 8.230 nan 0.000 0.434 1314 S N -1.660 114.053 115.700 0.021 0.000 2.464 1314 S HA -0.299 4.174 4.470 0.005 0.000 0.255 1314 S C 1.509 176.120 174.600 0.017 0.000 1.027 1314 S CA 2.002 60.214 58.200 0.019 0.000 0.994 1314 S CB -0.682 62.525 63.200 0.012 0.000 0.769 1314 S HN 0.770 nan 8.310 nan 0.000 0.502 1315 E N -0.321 119.888 120.200 0.015 0.000 2.399 1315 E HA 0.169 4.522 4.350 0.005 0.000 0.206 1315 E C 1.517 178.128 176.600 0.019 0.000 0.812 1315 E CA 0.503 56.911 56.400 0.014 0.000 1.138 1315 E CB 0.259 29.963 29.700 0.007 0.000 1.140 1315 E HN 0.373 nan 8.360 nan 0.000 0.536 1316 V N 1.872 121.797 119.914 0.020 0.000 3.383 1316 V HA -0.138 3.985 4.120 0.005 0.000 0.272 1316 V C 1.995 178.110 176.094 0.035 0.000 1.181 1316 V CA 1.200 63.515 62.300 0.024 0.000 1.171 1316 V CB -0.423 31.413 31.823 0.023 0.000 0.800 1316 V HN 0.292 nan 8.190 nan 0.000 0.515 1317 M N 0.898 120.521 119.600 0.037 0.000 2.325 1317 M HA -0.063 4.420 4.480 0.005 0.000 0.265 1317 M C 2.198 178.523 176.300 0.042 0.000 1.094 1317 M CA 1.736 57.064 55.300 0.047 0.000 1.161 1317 M CB 0.014 32.644 32.600 0.050 0.000 1.358 1317 M HN 0.519 nan 8.290 nan 0.000 0.446 1318 T N -0.775 113.799 114.554 0.032 0.000 3.400 1318 T HA 0.126 4.479 4.350 0.005 0.000 0.254 1318 T C 0.251 174.966 174.700 0.025 0.000 1.153 1318 T CA -0.209 61.908 62.100 0.028 0.000 1.012 1318 T CB -1.104 67.777 68.868 0.021 0.000 0.994 1318 T HN 0.075 nan 8.240 nan 0.000 0.555 1319 V N 4.056 123.987 119.914 0.028 0.000 2.607 1319 V HA 0.374 4.497 4.120 0.005 0.000 0.289 1319 V C -1.813 174.297 176.094 0.026 0.000 1.053 1319 V CA -2.081 60.233 62.300 0.023 0.000 0.996 1319 V CB 1.250 33.087 31.823 0.022 0.000 0.995 1319 V HN 0.398 nan 8.190 nan 0.000 0.476 1320 P HA 0.351 nan 4.420 nan 0.000 0.281 1320 P C 0.589 177.897 177.300 0.012 0.000 1.252 1320 P CA 0.589 63.700 63.100 0.018 0.000 0.778 1320 P CB 1.441 33.146 31.700 0.008 0.000 0.895 1321 G N 2.952 111.770 108.800 0.029 0.000 2.278 1321 G HA2 -0.170 3.793 3.960 0.005 0.000 0.210 1321 G HA3 -0.170 3.793 3.960 0.005 0.000 0.210 1321 G C 0.120 175.061 174.900 0.068 0.000 1.000 1321 G CA 0.127 45.241 45.100 0.023 0.000 0.635 1321 G HN 0.707 nan 8.290 nan 0.000 0.495 1322 I N -1.278 119.335 120.570 0.072 0.000 2.793 1322 I HA 0.757 4.930 4.170 0.005 0.000 0.313 1322 I C -0.858 175.324 176.117 0.108 0.000 0.998 1322 I CA -1.068 60.291 61.300 0.098 0.000 1.140 1322 I CB 1.862 39.914 38.000 0.087 0.000 1.327 1322 I HN -0.070 nan 8.210 nan 0.000 0.491 1323 D N 5.728 126.210 120.400 0.137 0.000 2.441 1323 D HA 0.251 4.894 4.640 0.005 0.000 0.221 1323 D C -1.846 174.524 176.300 0.118 0.000 1.156 1323 D CA -1.996 52.074 54.000 0.118 0.000 0.896 1323 D CB 1.213 42.084 40.800 0.119 0.000 1.028 1323 D HN 0.411 nan 8.370 nan 0.000 0.509 1324 P HA 0.026 nan 4.420 nan 0.000 0.269 1324 P C 0.513 177.859 177.300 0.076 0.000 1.461 1324 P CA 0.204 63.354 63.100 0.084 0.000 0.809 1324 P CB 0.315 32.052 31.700 0.063 0.000 1.503 1325 T N -0.931 113.668 114.554 0.075 0.000 2.975 1325 T HA 0.216 4.569 4.350 0.005 0.000 0.261 1325 T C 1.362 176.092 174.700 0.050 0.000 0.984 1325 T CA 0.069 62.198 62.100 0.048 0.000 0.911 1325 T CB 0.360 69.239 68.868 0.019 0.000 1.127 1325 T HN 0.195 nan 8.240 nan 0.000 0.514 1326 R N 0.154 120.712 120.500 0.098 0.000 2.509 1326 R HA 0.440 4.783 4.340 0.005 0.000 0.297 1326 R C 0.442 176.958 176.300 0.359 0.000 0.951 1326 R CA -0.245 55.919 56.100 0.106 0.000 1.103 1326 R CB 0.837 31.069 30.300 -0.115 0.000 1.283 1326 R HN 0.293 nan 8.270 nan 0.000 0.534 1327 I N 1.692 122.451 120.570 0.316 0.000 2.775 1327 I HA -0.092 4.081 4.170 0.005 0.000 0.290 1327 I C -0.994 175.341 176.117 0.363 0.000 1.203 1327 I CA 0.423 61.913 61.300 0.317 0.000 1.433 1327 I CB 0.333 38.450 38.000 0.194 0.000 1.354 1327 I HN 0.024 nan 8.210 nan 0.000 0.579 1328 Y N 5.955 126.359 120.300 0.173 0.000 2.396 1328 Y HA 0.404 4.957 4.550 0.005 0.000 0.332 1328 Y C -1.045 174.920 175.900 0.109 0.000 1.034 1328 Y CA -0.930 57.260 58.100 0.150 0.000 1.057 1328 Y CB 1.769 40.345 38.460 0.193 0.000 1.220 1328 Y HN 0.484 nan 8.280 nan 0.000 0.440 1329 T N 6.040 120.429 114.554 -0.274 0.000 2.786 1329 T HA 0.161 4.514 4.350 0.005 0.000 0.283 1329 T C 0.769 175.109 174.700 -0.599 0.000 0.992 1329 T CA -0.614 61.281 62.100 -0.343 0.000 0.954 1329 T CB 0.528 69.345 68.868 -0.086 0.000 0.934 1329 T HN 0.731 nan 8.240 nan 0.000 0.440 1330 N N 1.708 120.069 118.700 -0.566 0.000 2.519 1330 N HA -0.086 4.657 4.740 0.005 0.000 0.186 1330 N C 0.912 176.427 175.510 0.009 0.000 1.062 1330 N CA 0.316 53.145 53.050 -0.369 0.000 0.910 1330 N CB 0.085 38.456 38.487 -0.192 0.000 0.958 1330 N HN 0.345 nan 8.380 nan 0.000 0.445 1331 S N 0.427 116.158 115.700 0.051 0.000 3.530 1331 S HA 0.135 4.608 4.470 0.005 0.000 0.279 1331 S C 0.817 175.586 174.600 0.282 0.000 1.280 1331 S CA -0.978 57.350 58.200 0.214 0.000 0.946 1331 S CB -1.364 61.876 63.200 0.066 0.000 1.501 1331 S HN 0.390 nan 8.310 nan 0.000 0.498 1332 F N 2.327 122.306 119.950 0.049 0.000 2.147 1332 F HA -0.179 4.351 4.527 0.005 0.000 0.301 1332 F C 1.868 177.710 175.800 0.069 0.000 1.084 1332 F CA 0.569 58.626 58.000 0.095 0.000 1.268 1332 F CB -0.599 38.470 39.000 0.114 0.000 1.009 1332 F HN 0.407 nan 8.300 nan 0.000 0.486 1333 I N 1.735 121.999 120.570 -0.510 0.000 2.143 1333 I HA -0.329 3.844 4.170 0.005 0.000 0.245 1333 I C 2.213 178.252 176.117 -0.130 0.000 1.068 1333 I CA 1.982 63.034 61.300 -0.415 0.000 1.326 1333 I CB -0.936 36.815 38.000 -0.415 0.000 1.028 1333 I HN 0.328 nan 8.210 nan 0.000 0.412 1334 D N 0.445 120.812 120.400 -0.055 0.000 2.077 1334 D HA -0.135 4.508 4.640 0.005 0.000 0.197 1334 D C 2.217 178.543 176.300 0.043 0.000 0.983 1334 D CA 1.135 55.134 54.000 -0.002 0.000 0.841 1334 D CB -0.249 40.557 40.800 0.010 0.000 0.992 1334 D HN 0.300 nan 8.370 nan 0.000 0.450 1335 I N 1.249 121.878 120.570 0.099 0.000 2.576 1335 I HA -0.268 3.905 4.170 0.005 0.000 0.263 1335 I C 2.354 178.544 176.117 0.121 0.000 1.183 1335 I CA 0.667 62.053 61.300 0.143 0.000 1.432 1335 I CB -0.143 38.004 38.000 0.244 0.000 1.100 1335 I HN 0.131 nan 8.210 nan 0.000 0.452 1336 M N 0.344 119.999 119.600 0.092 0.000 2.357 1336 M HA -0.104 4.379 4.480 0.005 0.000 0.266 1336 M C 1.855 178.181 176.300 0.043 0.000 1.095 1336 M CA 1.669 57.013 55.300 0.073 0.000 1.156 1336 M CB -0.153 32.478 32.600 0.050 0.000 1.365 1336 M HN 0.184 nan 8.290 nan 0.000 0.447 1337 E N -0.490 119.724 120.200 0.023 0.000 2.285 1337 E HA -0.084 4.269 4.350 0.005 0.000 0.194 1337 E C 1.905 178.520 176.600 0.024 0.000 0.997 1337 E CA 0.891 57.300 56.400 0.014 0.000 0.845 1337 E CB 0.280 29.979 29.700 -0.002 0.000 0.782 1337 E HN 0.366 nan 8.360 nan 0.000 0.491 1338 V N 0.688 120.624 119.914 0.036 0.000 2.484 1338 V HA -0.082 4.042 4.120 0.005 0.000 0.236 1338 V C 2.096 178.217 176.094 0.046 0.000 1.062 1338 V CA 0.713 63.036 62.300 0.039 0.000 1.081 1338 V CB -0.295 31.555 31.823 0.046 0.000 0.751 1338 V HN 0.167 nan 8.190 nan 0.000 0.484 1339 L N 0.571 121.830 121.223 0.060 0.000 2.240 1339 L HA 0.347 4.690 4.340 0.005 0.000 0.211 1339 L C 1.055 177.957 176.870 0.053 0.000 1.106 1339 L CA 1.111 55.987 54.840 0.061 0.000 0.793 1339 L CB -0.438 41.669 42.059 0.080 0.000 0.927 1339 L HN 0.620 nan 8.230 nan 0.000 0.446 1340 G N -0.083 108.751 108.800 0.055 0.000 3.353 1340 G HA2 -0.151 3.812 3.960 0.005 0.000 0.682 1340 G HA3 -0.151 3.812 3.960 0.005 0.000 0.682 1340 G C 0.351 175.286 174.900 0.058 0.000 1.192 1340 G CA -0.184 44.946 45.100 0.049 0.000 1.111 1340 G HN 0.101 nan 8.290 nan 0.000 0.493 1341 I N 0.359 120.965 120.570 0.060 0.000 3.363 1341 I HA -0.412 3.761 4.170 0.005 0.000 0.192 1341 I C 2.521 178.683 176.117 0.076 0.000 0.778 1341 I CA 2.744 64.085 61.300 0.070 0.000 1.105 1341 I CB 0.107 38.142 38.000 0.059 0.000 0.877 1341 I HN 0.744 nan 8.210 nan 0.000 0.324 1342 E N 0.342 120.579 120.200 0.061 0.000 2.147 1342 E HA -0.276 4.078 4.350 0.005 0.000 0.199 1342 E C 2.034 178.668 176.600 0.057 0.000 1.005 1342 E CA 1.718 58.150 56.400 0.054 0.000 0.810 1342 E CB -0.339 29.384 29.700 0.039 0.000 0.736 1342 E HN 0.766 nan 8.360 nan 0.000 0.460 1343 A N 0.436 123.294 122.820 0.064 0.000 1.970 1343 A HA 0.059 4.382 4.320 0.005 0.000 0.216 1343 A C 2.420 180.073 177.584 0.115 0.000 1.170 1343 A CA 1.411 53.491 52.037 0.072 0.000 0.645 1343 A CB -0.670 18.373 19.000 0.071 0.000 0.816 1343 A HN 0.319 nan 8.150 nan 0.000 0.447 1344 G N -0.189 108.689 108.800 0.129 0.000 2.459 1344 G HA2 -0.279 3.685 3.960 0.005 0.000 0.217 1344 G HA3 -0.279 3.685 3.960 0.005 0.000 0.217 1344 G C 1.728 176.747 174.900 0.199 0.000 1.183 1344 G CA 1.017 46.229 45.100 0.186 0.000 0.776 1344 G HN 0.502 nan 8.290 nan 0.000 0.552 1345 R N 0.570 121.159 120.500 0.149 0.000 2.143 1345 R HA -0.209 4.134 4.340 0.005 0.000 0.239 1345 R C 2.933 179.320 176.300 0.145 0.000 1.126 1345 R CA 2.007 58.189 56.100 0.136 0.000 0.927 1345 R CB -0.719 29.634 30.300 0.088 0.000 0.860 1345 R HN 0.293 nan 8.270 nan 0.000 0.433 1346 A N 0.355 123.238 122.820 0.106 0.000 1.940 1346 A HA -0.284 4.039 4.320 0.005 0.000 0.221 1346 A C 2.341 180.011 177.584 0.143 0.000 1.190 1346 A CA 2.512 54.604 52.037 0.093 0.000 0.647 1346 A CB -0.912 18.107 19.000 0.032 0.000 0.821 1346 A HN 0.648 nan 8.150 nan 0.000 0.457 1347 A N -0.822 122.095 122.820 0.161 0.000 1.840 1347 A HA 0.078 4.401 4.320 0.005 0.000 0.214 1347 A C 2.091 179.757 177.584 0.135 0.000 1.198 1347 A CA 1.604 53.770 52.037 0.215 0.000 0.608 1347 A CB -0.823 18.415 19.000 0.396 0.000 0.839 1347 A HN 0.992 nan 8.150 nan 0.000 0.443 1348 L N -1.075 120.213 121.223 0.108 0.000 2.103 1348 L HA -0.253 4.091 4.340 0.005 0.000 0.215 1348 L C 2.194 179.026 176.870 -0.064 0.000 1.080 1348 L CA 2.779 57.556 54.840 -0.106 0.000 0.764 1348 L CB -1.066 41.073 42.059 0.134 0.000 0.890 1348 L HN 0.574 nan 8.230 nan 0.000 0.435 1349 Y N 0.315 120.599 120.300 -0.027 0.000 2.114 1349 Y HA -0.216 4.338 4.550 0.005 0.000 0.284 1349 Y C 2.767 178.688 175.900 0.035 0.000 1.119 1349 Y CA 2.262 60.352 58.100 -0.017 0.000 1.108 1349 Y CB -0.506 37.938 38.460 -0.026 0.000 0.995 1349 Y HN 0.211 nan 8.280 nan 0.000 0.491 1350 K N -0.010 120.489 120.400 0.165 0.000 2.127 1350 K HA -0.360 3.963 4.320 0.005 0.000 0.212 1350 K C 2.066 178.687 176.600 0.035 0.000 1.050 1350 K CA 2.307 58.667 56.287 0.123 0.000 0.929 1350 K CB -0.279 32.299 32.500 0.130 0.000 0.715 1350 K HN 0.370 nan 8.250 nan 0.000 0.457 1351 E N 0.045 120.241 120.200 -0.007 0.000 2.031 1351 E HA -0.127 4.226 4.350 0.005 0.000 0.193 1351 E C 1.868 178.383 176.600 -0.141 0.000 0.994 1351 E CA 1.433 57.794 56.400 -0.064 0.000 0.800 1351 E CB -0.179 29.406 29.700 -0.193 0.000 0.752 1351 E HN 0.159 nan 8.360 nan 0.000 0.447 1352 V N 0.737 120.523 119.914 -0.213 0.000 2.324 1352 V HA -0.298 3.825 4.120 0.005 0.000 0.250 1352 V C 2.199 178.179 176.094 -0.191 0.000 1.060 1352 V CA 2.199 64.379 62.300 -0.200 0.000 1.042 1352 V CB -0.802 30.899 31.823 -0.203 0.000 0.650 1352 V HN 0.420 nan 8.190 nan 0.000 0.450 1353 Y N 1.712 121.748 120.300 -0.440 0.000 2.165 1353 Y HA -0.232 4.322 4.550 0.005 0.000 0.286 1353 Y C 2.475 178.289 175.900 -0.143 0.000 1.155 1353 Y CA 1.908 59.800 58.100 -0.347 0.000 1.164 1353 Y CB -0.575 37.606 38.460 -0.464 0.000 0.978 1353 Y HN 0.278 nan 8.280 nan 0.000 0.513 1354 N N 0.039 118.574 118.700 -0.275 0.000 2.166 1354 N HA -0.162 4.582 4.740 0.005 0.000 0.186 1354 N C 1.886 177.242 175.510 -0.256 0.000 1.019 1354 N CA 1.734 54.593 53.050 -0.319 0.000 0.856 1354 N CB -0.245 38.182 38.487 -0.100 0.000 0.993 1354 N HN 0.339 nan 8.380 nan 0.000 0.426 1355 V N 1.613 121.419 119.914 -0.181 0.000 2.594 1355 V HA -0.139 3.984 4.120 0.005 0.000 0.253 1355 V C 2.033 178.046 176.094 -0.135 0.000 1.069 1355 V CA 1.148 63.370 62.300 -0.130 0.000 1.082 1355 V CB -0.294 31.471 31.823 -0.098 0.000 0.680 1355 V HN 0.269 nan 8.190 nan 0.000 0.469 1356 I N -0.172 120.296 120.570 -0.171 0.000 3.427 1356 I HA 0.071 4.245 4.170 0.005 0.000 0.288 1356 I C 2.347 178.367 176.117 -0.162 0.000 1.249 1356 I CA 0.828 62.055 61.300 -0.123 0.000 1.421 1356 I CB -0.256 37.712 38.000 -0.053 0.000 1.086 1356 I HN 0.239 nan 8.210 nan 0.000 0.448 1357 A N 0.933 123.559 122.820 -0.323 0.000 1.943 1357 A HA -0.088 4.235 4.320 0.005 0.000 0.213 1357 A C 2.416 179.890 177.584 -0.185 0.000 1.181 1357 A CA 1.146 52.985 52.037 -0.330 0.000 0.653 1357 A CB -0.515 18.092 19.000 -0.656 0.000 0.833 1357 A HN 0.422 nan 8.150 nan 0.000 0.451 1358 S N -0.220 115.379 115.700 -0.168 0.000 2.465 1358 S HA -0.172 4.301 4.470 0.005 0.000 0.241 1358 S C 1.289 175.848 174.600 -0.068 0.000 1.000 1358 S CA 1.456 59.594 58.200 -0.102 0.000 0.964 1358 S CB -0.336 62.812 63.200 -0.088 0.000 0.763 1358 S HN 0.552 nan 8.310 nan 0.000 0.512 1359 D N 0.937 121.297 120.400 -0.066 0.000 2.354 1359 D HA 0.175 4.818 4.640 0.005 0.000 0.209 1359 D C 1.317 177.602 176.300 -0.025 0.000 1.015 1359 D CA 0.797 54.773 54.000 -0.039 0.000 0.867 1359 D CB 0.229 41.008 40.800 -0.036 0.000 0.933 1359 D HN 0.615 nan 8.370 nan 0.000 0.520 1360 G N 0.973 109.754 108.800 -0.031 0.000 2.132 1360 G HA2 -0.224 3.739 3.960 0.005 0.000 0.234 1360 G HA3 -0.224 3.739 3.960 0.005 0.000 0.234 1360 G C 0.367 175.279 174.900 0.020 0.000 0.989 1360 G CA 0.456 45.550 45.100 -0.010 0.000 0.676 1360 G HN 0.301 nan 8.290 nan 0.000 0.522 1361 S N -1.072 114.643 115.700 0.026 0.000 2.745 1361 S HA 0.835 5.308 4.470 0.005 0.000 0.292 1361 S C -0.783 173.922 174.600 0.176 0.000 1.127 1361 S CA -0.429 57.816 58.200 0.075 0.000 1.007 1361 S CB 1.796 65.021 63.200 0.041 0.000 1.165 1361 S HN 0.994 nan 8.310 nan 0.000 0.544 1362 Y N 0.308 120.632 120.300 0.040 0.000 2.441 1362 Y HA 0.620 5.174 4.550 0.005 0.000 0.334 1362 Y C -1.801 174.170 175.900 0.119 0.000 1.061 1362 Y CA -1.330 56.825 58.100 0.092 0.000 1.032 1362 Y CB 0.671 39.184 38.460 0.088 0.000 1.266 1362 Y HN 0.353 nan 8.280 nan 0.000 0.441 1363 V N 6.325 126.387 119.914 0.248 0.000 2.638 1363 V HA 0.305 4.428 4.120 0.005 0.000 0.306 1363 V C -0.322 175.831 176.094 0.099 0.000 1.052 1363 V CA -1.235 61.082 62.300 0.028 0.000 0.885 1363 V CB 1.864 33.790 31.823 0.170 0.000 0.999 1363 V HN 0.845 nan 8.190 nan 0.000 0.424 1364 N N 3.119 121.785 118.700 -0.057 0.000 2.438 1364 N HA 0.016 4.759 4.740 0.005 0.000 0.267 1364 N C 1.056 176.632 175.510 0.111 0.000 1.222 1364 N CA -0.039 53.044 53.050 0.055 0.000 0.930 1364 N CB 0.300 38.731 38.487 -0.093 0.000 1.083 1364 N HN 0.736 nan 8.380 nan 0.000 0.476 1365 Y N 5.326 125.719 120.300 0.155 0.000 1.971 1365 Y HA -0.531 4.022 4.550 0.005 0.000 0.181 1365 Y C 2.123 178.020 175.900 -0.005 0.000 1.167 1365 Y CA 3.058 61.228 58.100 0.117 0.000 0.869 1365 Y CB -0.467 37.999 38.460 0.010 0.000 0.693 1365 Y HN 0.707 nan 8.280 nan 0.000 0.587 1366 R N -1.450 119.036 120.500 -0.023 0.000 2.270 1366 R HA -0.347 3.997 4.340 0.005 0.000 0.260 1366 R C 1.816 177.982 176.300 -0.225 0.000 1.127 1366 R CA 2.158 58.099 56.100 -0.266 0.000 0.969 1366 R CB -1.592 28.412 30.300 -0.493 0.000 0.918 1366 R HN 0.587 nan 8.270 nan 0.000 0.455 1367 H N 0.863 119.936 119.070 0.005 0.000 2.253 1367 H HA -0.008 4.551 4.556 0.005 0.000 0.299 1367 H C 2.392 177.712 175.328 -0.012 0.000 1.064 1367 H CA 1.979 58.039 56.048 0.020 0.000 1.264 1367 H CB -0.545 29.235 29.762 0.030 0.000 1.371 1367 H HN 0.267 nan 8.280 nan 0.000 0.493 1368 M N 0.366 120.054 119.600 0.146 0.000 2.202 1368 M HA -0.107 4.377 4.480 0.005 0.000 0.262 1368 M C 2.668 179.004 176.300 0.061 0.000 1.063 1368 M CA 1.326 56.682 55.300 0.095 0.000 1.097 1368 M CB -0.296 32.368 32.600 0.106 0.000 1.382 1368 M HN 0.246 nan 8.290 nan 0.000 0.413 1369 A N 1.055 123.798 122.820 -0.128 0.000 1.828 1369 A HA -0.185 4.138 4.320 0.005 0.000 0.215 1369 A C 2.077 179.585 177.584 -0.127 0.000 1.203 1369 A CA 1.619 53.453 52.037 -0.338 0.000 0.614 1369 A CB -1.128 17.316 19.000 -0.928 0.000 0.844 1369 A HN 0.393 nan 8.150 nan 0.000 0.445 1370 L N -0.414 120.756 121.223 -0.089 0.000 2.026 1370 L HA -0.275 4.068 4.340 0.005 0.000 0.231 1370 L C 2.454 179.319 176.870 -0.010 0.000 1.095 1370 L CA 2.803 57.638 54.840 -0.009 0.000 0.810 1370 L CB -0.922 41.180 42.059 0.071 0.000 0.909 1370 L HN 0.538 nan 8.230 nan 0.000 0.444 1371 L N -1.424 119.799 121.223 0.000 0.000 2.013 1371 L HA -0.182 4.162 4.340 0.005 0.000 0.212 1371 L C 2.437 179.310 176.870 0.005 0.000 1.073 1371 L CA 2.091 56.923 54.840 -0.012 0.000 0.753 1371 L CB -0.861 41.189 42.059 -0.014 0.000 0.890 1371 L HN 0.154 nan 8.230 nan 0.000 0.432 1372 V N 0.172 120.101 119.914 0.025 0.000 2.469 1372 V HA -0.278 3.845 4.120 0.005 0.000 0.251 1372 V C 2.107 178.228 176.094 0.045 0.000 1.064 1372 V CA 2.276 64.609 62.300 0.056 0.000 1.066 1372 V CB -0.645 31.246 31.823 0.112 0.000 0.667 1372 V HN 0.629 nan 8.190 nan 0.000 0.461 1373 D N -0.435 119.971 120.400 0.011 0.000 2.110 1373 D HA -0.100 4.543 4.640 0.005 0.000 0.202 1373 D C 2.186 178.489 176.300 0.006 0.000 0.975 1373 D CA 1.607 55.609 54.000 0.003 0.000 0.839 1373 D CB -0.301 40.486 40.800 -0.022 0.000 0.996 1373 D HN 0.401 nan 8.370 nan 0.000 0.464 1374 V N 1.790 121.700 119.914 -0.007 0.000 2.317 1374 V HA -0.292 3.832 4.120 0.005 0.000 0.251 1374 V C 2.573 178.677 176.094 0.016 0.000 1.065 1374 V CA 1.610 63.901 62.300 -0.015 0.000 1.049 1374 V CB -0.615 31.178 31.823 -0.051 0.000 0.651 1374 V HN 0.202 nan 8.190 nan 0.000 0.450 1375 M N -0.506 119.115 119.600 0.036 0.000 2.374 1375 M HA -0.119 4.364 4.480 0.005 0.000 0.264 1375 M C 2.200 178.552 176.300 0.088 0.000 1.067 1375 M CA 1.996 57.342 55.300 0.077 0.000 1.103 1375 M CB -0.405 32.257 32.600 0.102 0.000 1.402 1375 M HN 0.575 nan 8.290 nan 0.000 0.444 1376 T N -0.631 113.965 114.554 0.071 0.000 3.053 1376 T HA -0.053 4.301 4.350 0.005 0.000 0.236 1376 T C 1.825 176.558 174.700 0.054 0.000 0.996 1376 T CA 1.571 63.714 62.100 0.073 0.000 1.185 1376 T CB -0.567 68.347 68.868 0.078 0.000 0.892 1376 T HN 0.503 nan 8.240 nan 0.000 0.432 1377 T N 1.584 116.159 114.554 0.035 0.000 2.212 1377 T HA -0.444 3.909 4.350 0.005 0.000 0.200 1377 T C 1.841 176.562 174.700 0.034 0.000 1.643 1377 T CA 2.367 64.481 62.100 0.024 0.000 1.063 1377 T CB -1.596 67.269 68.868 -0.005 0.000 0.833 1377 T HN 0.534 nan 8.240 nan 0.000 0.418 1378 Q N 1.386 121.208 119.800 0.036 0.000 2.226 1378 Q HA -0.292 4.051 4.340 0.005 0.000 0.220 1378 Q C 2.179 178.206 176.000 0.045 0.000 1.037 1378 Q CA 2.684 58.513 55.803 0.044 0.000 0.940 1378 Q CB -0.885 27.886 28.738 0.056 0.000 1.037 1378 Q HN 0.964 nan 8.270 nan 0.000 0.420 1379 G N -3.254 105.575 108.800 0.048 0.000 4.137 1379 G HA2 0.159 4.122 3.960 0.005 0.000 0.194 1379 G HA3 0.159 4.122 3.960 0.005 0.000 0.194 1379 G C 0.269 175.197 174.900 0.046 0.000 0.891 1379 G CA 0.437 45.564 45.100 0.045 0.000 0.946 1379 G HN 0.629 nan 8.290 nan 0.000 0.332 1380 G N -0.255 108.575 108.800 0.050 0.000 3.495 1380 G HA2 0.483 4.446 3.960 0.005 0.000 0.178 1380 G HA3 0.483 4.446 3.960 0.005 0.000 0.178 1380 G C -1.103 173.834 174.900 0.062 0.000 1.262 1380 G CA -0.404 44.725 45.100 0.049 0.000 1.096 1380 G HN 0.408 nan 8.290 nan 0.000 0.727 1381 L N 2.670 123.923 121.223 0.050 0.000 2.321 1381 L HA 0.383 4.726 4.340 0.005 0.000 0.272 1381 L C -0.387 176.530 176.870 0.078 0.000 1.050 1381 L CA -0.277 54.604 54.840 0.068 0.000 0.893 1381 L CB 1.130 43.197 42.059 0.015 0.000 1.272 1381 L HN 0.247 nan 8.230 nan 0.000 0.435 1382 T N 0.991 115.606 114.554 0.102 0.000 2.729 1382 T HA 0.167 4.520 4.350 0.005 0.000 0.296 1382 T C 0.588 175.383 174.700 0.159 0.000 0.928 1382 T CA -0.440 61.733 62.100 0.121 0.000 1.045 1382 T CB 0.832 69.776 68.868 0.127 0.000 0.902 1382 T HN 0.618 nan 8.240 nan 0.000 0.500 1383 S N 2.227 118.027 115.700 0.166 0.000 2.579 1383 S HA 0.187 4.660 4.470 0.005 0.000 0.275 1383 S C 0.569 175.341 174.600 0.288 0.000 1.345 1383 S CA -0.923 57.396 58.200 0.199 0.000 1.031 1383 S CB 0.569 63.876 63.200 0.179 0.000 0.892 1383 S HN 0.423 nan 8.310 nan 0.000 0.529 1384 V N 2.987 123.074 119.914 0.288 0.000 2.052 1384 V HA 0.293 4.417 4.120 0.005 0.000 0.281 1384 V C 0.010 176.357 176.094 0.422 0.000 1.668 1384 V CA -0.040 62.510 62.300 0.417 0.000 1.621 1384 V CB -1.617 30.321 31.823 0.191 0.000 1.488 1384 V HN 1.044 nan 8.190 nan 0.000 0.513 1385 T N -0.333 114.388 114.554 0.278 0.000 2.885 1385 T HA 0.264 4.617 4.350 0.005 0.000 0.322 1385 T C 0.918 175.475 174.700 -0.239 0.000 1.387 1385 T CA -0.834 61.310 62.100 0.073 0.000 1.041 1385 T CB 2.024 70.944 68.868 0.087 0.000 1.287 1385 T HN 0.344 nan 8.240 nan 0.000 0.491 1386 R N 0.610 120.906 120.500 -0.341 0.000 2.267 1386 R HA -0.278 4.066 4.340 0.005 0.000 0.259 1386 R C 1.070 177.144 176.300 -0.377 0.000 1.192 1386 R CA 2.013 57.798 56.100 -0.526 0.000 1.013 1386 R CB -0.461 29.465 30.300 -0.623 0.000 0.877 1386 R HN 0.675 nan 8.270 nan 0.000 0.474 1387 H N -0.963 118.028 119.070 -0.132 0.000 2.395 1387 H HA 0.076 4.635 4.556 0.005 0.000 0.299 1387 H C 1.703 176.990 175.328 -0.068 0.000 1.070 1387 H CA 1.419 57.419 56.048 -0.080 0.000 1.356 1387 H CB -0.255 29.489 29.762 -0.030 0.000 1.401 1387 H HN 0.456 nan 8.280 nan 0.000 0.524 1388 G N 0.372 109.202 108.800 0.049 0.000 2.992 1388 G HA2 0.017 3.980 3.960 0.005 0.000 0.195 1388 G HA3 0.017 3.980 3.960 0.005 0.000 0.195 1388 G C 1.248 176.164 174.900 0.027 0.000 2.032 1388 G CA 0.306 45.444 45.100 0.064 0.000 0.831 1388 G HN 0.307 nan 8.290 nan 0.000 0.647 1389 F N 1.943 121.944 119.950 0.085 0.000 2.127 1389 F HA -0.250 4.280 4.527 0.005 0.000 0.299 1389 F C 1.344 177.193 175.800 0.082 0.000 1.068 1389 F CA 1.765 59.808 58.000 0.073 0.000 1.263 1389 F CB -0.933 38.102 39.000 0.059 0.000 1.016 1389 F HN 0.212 nan 8.300 nan 0.000 0.491 1390 N N 0.332 118.727 118.700 -0.508 0.000 2.441 1390 N HA 0.028 4.771 4.740 0.005 0.000 0.225 1390 N C 1.293 176.750 175.510 -0.088 0.000 1.208 1390 N CA 0.348 53.255 53.050 -0.238 0.000 0.847 1390 N CB -0.313 37.914 38.487 -0.432 0.000 1.121 1390 N HN 0.735 nan 8.380 nan 0.000 0.479 1391 R N -1.734 118.760 120.500 -0.011 0.000 2.517 1391 R HA 0.201 4.544 4.340 0.005 0.000 0.265 1391 R C 0.223 176.551 176.300 0.048 0.000 0.921 1391 R CA -0.157 55.947 56.100 0.006 0.000 1.054 1391 R CB -0.257 30.045 30.300 0.002 0.000 1.340 1391 R HN 0.142 nan 8.270 nan 0.000 0.551 1392 S N 1.058 116.810 115.700 0.087 0.000 2.589 1392 S HA -0.006 4.467 4.470 0.005 0.000 0.256 1392 S C 0.564 175.207 174.600 0.072 0.000 1.383 1392 S CA -0.044 58.209 58.200 0.088 0.000 0.983 1392 S CB 0.284 63.554 63.200 0.117 0.000 0.908 1392 S HN 0.387 nan 8.310 nan 0.000 0.572 1393 N N 0.570 119.307 118.700 0.063 0.000 2.635 1393 N HA -0.041 4.703 4.740 0.005 0.000 0.191 1393 N C 0.194 175.739 175.510 0.057 0.000 1.155 1393 N CA 0.645 53.727 53.050 0.054 0.000 0.927 1393 N CB -0.965 37.550 38.487 0.046 0.000 0.976 1393 N HN 0.619 nan 8.380 nan 0.000 0.448 1394 T N 0.615 115.211 114.554 0.070 0.000 2.908 1394 T HA 0.170 4.523 4.350 0.005 0.000 0.325 1394 T C 1.383 176.125 174.700 0.071 0.000 1.092 1394 T CA -0.019 62.123 62.100 0.071 0.000 1.125 1394 T CB 0.601 69.524 68.868 0.092 0.000 1.016 1394 T HN 0.225 nan 8.240 nan 0.000 0.550 1395 G N 0.036 108.877 108.800 0.067 0.000 2.714 1395 G HA2 0.319 4.282 3.960 0.005 0.000 0.278 1395 G HA3 0.319 4.282 3.960 0.005 0.000 0.278 1395 G C 1.080 176.042 174.900 0.104 0.000 1.288 1395 G CA -0.161 44.987 45.100 0.081 0.000 1.027 1395 G HN 0.892 nan 8.290 nan 0.000 0.607 1396 A N -0.788 122.128 122.820 0.160 0.000 1.878 1396 A HA 0.178 4.501 4.320 0.005 0.000 0.215 1396 A C 2.492 180.153 177.584 0.128 0.000 1.310 1396 A CA 1.025 53.153 52.037 0.151 0.000 0.612 1396 A CB -0.748 18.407 19.000 0.258 0.000 0.989 1396 A HN 0.588 nan 8.150 nan 0.000 0.472 1397 L N -0.677 120.668 121.223 0.203 0.000 2.198 1397 L HA -0.354 3.989 4.340 0.005 0.000 0.218 1397 L C 2.801 179.721 176.870 0.083 0.000 1.084 1397 L CA 2.266 57.189 54.840 0.139 0.000 0.779 1397 L CB -0.468 41.672 42.059 0.136 0.000 0.890 1397 L HN 0.689 nan 8.230 nan 0.000 0.439 1398 M N -0.373 119.276 119.600 0.083 0.000 2.073 1398 M HA -0.196 4.288 4.480 0.005 0.000 0.259 1398 M C 2.448 178.811 176.300 0.106 0.000 1.079 1398 M CA 1.695 57.043 55.300 0.080 0.000 1.131 1398 M CB -0.116 32.530 32.600 0.076 0.000 1.316 1398 M HN 0.010 nan 8.290 nan 0.000 0.415 1399 R N -0.191 120.375 120.500 0.110 0.000 2.127 1399 R HA -0.183 4.160 4.340 0.005 0.000 0.238 1399 R C 2.522 178.868 176.300 0.076 0.000 1.134 1399 R CA 1.435 57.610 56.100 0.125 0.000 0.975 1399 R CB -1.265 29.079 30.300 0.074 0.000 0.865 1399 R HN 0.649 nan 8.270 nan 0.000 0.447 1400 C N 1.537 120.860 119.300 0.038 0.000 2.403 1400 C HA -0.099 4.364 4.460 0.005 0.000 0.279 1400 C C 1.792 176.791 174.990 0.015 0.000 1.269 1400 C CA 1.325 60.338 59.018 -0.008 0.000 1.774 1400 C CB -0.898 26.835 27.740 -0.011 0.000 1.993 1400 C HN 0.490 nan 8.230 nan 0.000 0.496 1401 S N -0.552 115.191 115.700 0.071 0.000 3.513 1401 S HA 0.488 4.961 4.470 0.005 0.000 0.209 1401 S C -0.513 174.219 174.600 0.219 0.000 1.446 1401 S CA -0.368 57.889 58.200 0.094 0.000 1.150 1401 S CB -0.684 62.558 63.200 0.070 0.000 1.266 1401 S HN 0.842 nan 8.310 nan 0.000 0.502 1402 F N 0.676 120.613 119.950 -0.022 0.000 3.185 1402 F HA 0.201 4.731 4.527 0.005 0.000 0.303 1402 F C 0.121 175.892 175.800 -0.048 0.000 0.928 1402 F CA -0.863 57.126 58.000 -0.018 0.000 1.374 1402 F CB -0.587 38.421 39.000 0.013 0.000 1.606 1402 F HN 0.409 nan 8.300 nan 0.000 0.828 1403 E N 2.236 122.156 120.200 -0.467 0.000 4.250 1403 E HA -0.286 4.068 4.350 0.005 0.000 0.325 1403 E C 0.582 176.947 176.600 -0.393 0.000 0.640 1403 E CA 1.902 57.940 56.400 -0.603 0.000 1.343 1403 E CB -0.507 28.455 29.700 -1.230 0.000 1.759 1403 E HN 0.869 nan 8.360 nan 0.000 0.401 1404 E N -1.086 118.925 120.200 -0.315 0.000 2.665 1404 E HA 0.059 4.412 4.350 0.005 0.000 0.225 1404 E C 0.807 177.290 176.600 -0.195 0.000 0.922 1404 E CA 0.673 56.933 56.400 -0.233 0.000 1.242 1404 E CB 0.767 30.330 29.700 -0.229 0.000 1.197 1404 E HN 0.253 nan 8.360 nan 0.000 0.581 1405 T N 0.976 115.425 114.554 -0.174 0.000 1.843 1405 T HA -0.386 3.967 4.350 0.005 0.000 0.104 1405 T C 1.804 176.356 174.700 -0.246 0.000 1.817 1405 T CA 2.400 64.397 62.100 -0.171 0.000 0.783 1405 T CB -1.333 67.444 68.868 -0.152 0.000 0.774 1405 T HN 0.045 nan 8.240 nan 0.000 0.404 1406 V N 2.376 122.098 119.914 -0.319 0.000 2.252 1406 V HA -0.245 3.878 4.120 0.005 0.000 0.249 1406 V C 2.748 178.504 176.094 -0.563 0.000 1.056 1406 V CA 2.656 64.622 62.300 -0.556 0.000 1.022 1406 V CB -0.932 30.506 31.823 -0.641 0.000 0.641 1406 V HN 0.579 nan 8.190 nan 0.000 0.445 1407 E N -0.387 119.610 120.200 -0.339 0.000 2.108 1407 E HA -0.286 4.067 4.350 0.005 0.000 0.203 1407 E C 2.150 178.682 176.600 -0.114 0.000 1.022 1407 E CA 2.061 58.365 56.400 -0.160 0.000 0.823 1407 E CB -0.253 29.378 29.700 -0.114 0.000 0.744 1407 E HN 0.583 nan 8.360 nan 0.000 0.456 1408 I N 0.591 121.064 120.570 -0.163 0.000 2.233 1408 I HA -0.257 3.916 4.170 0.005 0.000 0.243 1408 I C 2.454 178.471 176.117 -0.168 0.000 1.093 1408 I CA 0.692 61.911 61.300 -0.134 0.000 1.380 1408 I CB -0.156 37.765 38.000 -0.131 0.000 1.067 1408 I HN 0.146 nan 8.210 nan 0.000 0.413 1409 L N 0.044 121.111 121.223 -0.259 0.000 1.989 1409 L HA -0.279 4.064 4.340 0.005 0.000 0.211 1409 L C 2.613 179.381 176.870 -0.171 0.000 1.071 1409 L CA 1.808 56.437 54.840 -0.352 0.000 0.749 1409 L CB -0.702 41.129 42.059 -0.381 0.000 0.890 1409 L HN 0.184 nan 8.230 nan 0.000 0.431 1410 F N 0.483 120.362 119.950 -0.118 0.000 2.045 1410 F HA -0.343 4.187 4.527 0.005 0.000 0.297 1410 F C 2.372 178.242 175.800 0.116 0.000 1.114 1410 F CA 1.261 59.290 58.000 0.048 0.000 1.207 1410 F CB -0.259 38.781 39.000 0.067 0.000 0.964 1410 F HN 0.187 nan 8.300 nan 0.000 0.486 1411 E N -0.044 120.284 120.200 0.213 0.000 2.526 1411 E HA -0.064 4.289 4.350 0.005 0.000 0.198 1411 E C 1.555 178.109 176.600 -0.076 0.000 1.091 1411 E CA 0.206 56.616 56.400 0.016 0.000 0.880 1411 E CB -0.013 29.670 29.700 -0.027 0.000 0.873 1411 E HN 0.403 nan 8.360 nan 0.000 0.527 1412 A N 0.457 123.215 122.820 -0.104 0.000 1.887 1412 A HA 0.111 4.434 4.320 0.005 0.000 0.210 1412 A C 2.308 179.850 177.584 -0.070 0.000 1.221 1412 A CA 0.850 52.785 52.037 -0.170 0.000 0.635 1412 A CB -0.567 18.107 19.000 -0.543 0.000 0.881 1412 A HN 0.331 nan 8.150 nan 0.000 0.456 1413 G N -0.578 108.175 108.800 -0.077 0.000 2.484 1413 G HA2 0.161 4.124 3.960 0.005 0.000 0.218 1413 G HA3 0.161 4.124 3.960 0.005 0.000 0.218 1413 G C 1.465 176.383 174.900 0.031 0.000 1.130 1413 G CA 1.173 46.310 45.100 0.061 0.000 0.784 1413 G HN 0.711 nan 8.290 nan 0.000 0.543 1414 A N 0.370 123.153 122.820 -0.060 0.000 2.016 1414 A HA 0.244 4.567 4.320 0.005 0.000 0.217 1414 A C 2.191 179.476 177.584 -0.498 0.000 1.162 1414 A CA 1.614 53.453 52.037 -0.331 0.000 0.662 1414 A CB 0.063 18.676 19.000 -0.645 0.000 0.812 1414 A HN 0.220 nan 8.150 nan 0.000 0.450 1415 S N -0.662 114.831 115.700 -0.345 0.000 2.575 1415 S HA 0.486 4.960 4.470 0.005 0.000 0.237 1415 S C 0.690 175.220 174.600 -0.116 0.000 0.975 1415 S CA 0.253 58.242 58.200 -0.351 0.000 0.960 1415 S CB 0.103 63.133 63.200 -0.283 0.000 0.822 1415 S HN 1.481 nan 8.310 nan 0.000 0.472 1416 A N 2.077 124.888 122.820 -0.014 0.000 2.261 1416 A HA -0.223 4.100 4.320 0.005 0.000 0.282 1416 A C 0.356 178.030 177.584 0.151 0.000 1.403 1416 A CA 0.730 52.852 52.037 0.141 0.000 0.753 1416 A CB -1.498 17.648 19.000 0.243 0.000 1.125 1416 A HN 0.621 nan 8.150 nan 0.000 0.358 1417 E N -1.236 119.063 120.200 0.164 0.000 2.391 1417 E HA 0.522 4.875 4.350 0.005 0.000 0.255 1417 E C -0.196 176.480 176.600 0.127 0.000 1.187 1417 E CA -0.579 55.916 56.400 0.158 0.000 0.941 1417 E CB 0.552 30.382 29.700 0.217 0.000 1.010 1417 E HN 0.625 nan 8.360 nan 0.000 0.458 1418 L N 1.643 122.908 121.223 0.071 0.000 2.439 1418 L HA 0.298 4.641 4.340 0.005 0.000 0.270 1418 L C -1.437 175.420 176.870 -0.023 0.000 0.972 1418 L CA -0.428 54.405 54.840 -0.012 0.000 0.836 1418 L CB 1.754 43.825 42.059 0.020 0.000 1.255 1418 L HN 0.367 nan 8.230 nan 0.000 0.404 1419 D N 2.945 123.284 120.400 -0.102 0.000 2.233 1419 D HA 0.191 4.834 4.640 0.005 0.000 0.240 1419 D C 0.323 176.587 176.300 -0.061 0.000 1.074 1419 D CA -0.105 53.860 54.000 -0.059 0.000 0.838 1419 D CB 1.687 42.445 40.800 -0.071 0.000 1.124 1419 D HN 0.593 nan 8.370 nan 0.000 0.475 1420 D N 1.800 122.185 120.400 -0.025 0.000 2.178 1420 D HA -0.122 4.521 4.640 0.005 0.000 0.201 1420 D C 0.643 176.926 176.300 -0.028 0.000 0.980 1420 D CA 0.728 54.715 54.000 -0.022 0.000 0.842 1420 D CB 0.082 40.878 40.800 -0.007 0.000 0.948 1420 D HN 0.522 nan 8.370 nan 0.000 0.472 1421 C N 0.372 119.656 119.300 -0.026 0.000 4.354 1421 C HA -0.156 4.307 4.460 0.005 0.000 0.307 1421 C C 1.302 176.281 174.990 -0.018 0.000 1.318 1421 C CA -0.021 58.981 59.018 -0.027 0.000 2.060 1421 C CB -2.370 25.344 27.740 -0.043 0.000 1.283 1421 C HN 0.422 nan 8.230 nan 0.000 0.723 1422 R N -0.190 120.306 120.500 -0.008 0.000 2.469 1422 R HA 0.230 4.573 4.340 0.005 0.000 0.250 1422 R C 1.178 177.478 176.300 0.001 0.000 0.909 1422 R CA 0.528 56.627 56.100 -0.002 0.000 1.050 1422 R CB 0.498 30.800 30.300 0.004 0.000 1.256 1422 R HN 0.559 nan 8.270 nan 0.000 0.550 1423 G N 0.660 109.460 108.800 0.001 0.000 2.403 1423 G HA2 0.241 4.204 3.960 0.005 0.000 0.259 1423 G HA3 0.241 4.204 3.960 0.005 0.000 0.259 1423 G C 1.166 176.059 174.900 -0.011 0.000 1.244 1423 G CA -0.534 44.567 45.100 0.001 0.000 0.849 1423 G HN -0.121 nan 8.290 nan 0.000 0.532 1424 V N 2.576 122.477 119.914 -0.022 0.000 2.252 1424 V HA -0.254 3.870 4.120 0.005 0.000 0.249 1424 V C 3.009 179.087 176.094 -0.027 0.000 1.056 1424 V CA 2.619 64.898 62.300 -0.035 0.000 1.022 1424 V CB -0.890 30.904 31.823 -0.048 0.000 0.641 1424 V HN 0.713 nan 8.190 nan 0.000 0.445 1425 S N -0.596 115.094 115.700 -0.017 0.000 2.359 1425 S HA -0.217 4.256 4.470 0.005 0.000 0.224 1425 S C 1.904 176.503 174.600 -0.002 0.000 1.035 1425 S CA 1.449 59.645 58.200 -0.007 0.000 1.018 1425 S CB -0.445 62.761 63.200 0.009 0.000 0.876 1425 S HN 0.637 nan 8.310 nan 0.000 0.448 1426 E N 2.017 122.219 120.200 0.004 0.000 2.095 1426 E HA -0.223 4.130 4.350 0.005 0.000 0.212 1426 E C 1.815 178.409 176.600 -0.010 0.000 1.044 1426 E CA 1.389 57.790 56.400 0.003 0.000 0.857 1426 E CB -0.846 28.853 29.700 -0.003 0.000 0.764 1426 E HN 0.570 nan 8.360 nan 0.000 0.462 1427 N N 0.437 119.126 118.700 -0.019 0.000 2.106 1427 N HA -0.102 4.641 4.740 0.005 0.000 0.188 1427 N C 2.157 177.652 175.510 -0.025 0.000 1.029 1427 N CA 1.084 54.118 53.050 -0.026 0.000 0.848 1427 N CB -0.310 38.157 38.487 -0.033 0.000 1.007 1427 N HN -0.009 nan 8.380 nan 0.000 0.423 1428 V N 2.515 122.414 119.914 -0.025 0.000 2.370 1428 V HA -0.226 3.898 4.120 0.005 0.000 0.252 1428 V C 2.239 178.323 176.094 -0.017 0.000 1.068 1428 V CA 1.398 63.683 62.300 -0.025 0.000 1.061 1428 V CB -0.425 31.383 31.823 -0.025 0.000 0.656 1428 V HN 0.289 nan 8.190 nan 0.000 0.455 1429 I N -1.070 119.494 120.570 -0.011 0.000 2.439 1429 I HA -0.165 4.008 4.170 0.005 0.000 0.251 1429 I C 2.006 178.118 176.117 -0.008 0.000 1.139 1429 I CA 1.311 62.609 61.300 -0.004 0.000 1.438 1429 I CB -0.129 37.875 38.000 0.007 0.000 1.085 1429 I HN 0.282 nan 8.210 nan 0.000 0.427 1430 L N 0.160 121.374 121.223 -0.015 0.000 2.446 1430 L HA 0.201 4.545 4.340 0.005 0.000 0.219 1430 L C 1.445 178.303 176.870 -0.021 0.000 1.116 1430 L CA 0.583 55.411 54.840 -0.020 0.000 0.844 1430 L CB -0.193 41.850 42.059 -0.028 0.000 0.970 1430 L HN 0.435 nan 8.230 nan 0.000 0.457 1431 G N 0.348 109.135 108.800 -0.022 0.000 2.149 1431 G HA2 -0.209 3.754 3.960 0.005 0.000 0.235 1431 G HA3 -0.209 3.754 3.960 0.005 0.000 0.235 1431 G C 0.007 174.892 174.900 -0.026 0.000 1.018 1431 G CA -0.195 44.892 45.100 -0.022 0.000 0.728 1431 G HN 0.402 nan 8.290 nan 0.000 0.508 1432 Q N -0.761 119.021 119.800 -0.030 0.000 2.240 1432 Q HA 0.641 4.984 4.340 0.005 0.000 0.260 1432 Q C 0.360 176.336 176.000 -0.041 0.000 1.018 1432 Q CA -1.081 54.702 55.803 -0.033 0.000 0.898 1432 Q CB 1.430 30.148 28.738 -0.033 0.000 1.301 1432 Q HN 0.344 nan 8.270 nan 0.000 0.469 1433 M N 1.575 121.147 119.600 -0.047 0.000 2.184 1433 M HA 0.277 4.760 4.480 0.005 0.000 0.351 1433 M C -0.693 175.567 176.300 -0.067 0.000 1.395 1433 M CA -0.144 55.119 55.300 -0.061 0.000 1.117 1433 M CB 0.551 33.109 32.600 -0.070 0.000 1.708 1433 M HN 0.782 nan 8.290 nan 0.000 0.468 1434 A N 7.340 130.118 122.820 -0.070 0.000 2.401 1434 A HA 0.450 4.773 4.320 0.005 0.000 0.259 1434 A C -2.397 175.135 177.584 -0.088 0.000 1.103 1434 A CA -1.342 50.653 52.037 -0.069 0.000 0.789 1434 A CB -0.384 18.577 19.000 -0.064 0.000 1.035 1434 A HN 0.606 nan 8.150 nan 0.000 0.491 1435 P HA 0.225 nan 4.420 nan 0.000 0.252 1435 P C -1.027 176.220 177.300 -0.088 0.000 1.635 1435 P CA 0.980 64.034 63.100 -0.077 0.000 1.206 1435 P CB -0.418 31.266 31.700 -0.028 0.000 1.911 1436 I N 0.757 121.252 120.570 -0.126 0.000 2.607 1436 I HA 0.321 4.494 4.170 0.005 0.000 0.290 1436 I C 1.259 177.289 176.117 -0.145 0.000 1.129 1436 I CA -0.671 60.553 61.300 -0.128 0.000 1.042 1436 I CB 2.065 40.000 38.000 -0.108 0.000 1.242 1436 I HN 0.349 nan 8.210 nan 0.000 0.421 1437 G N 3.914 112.634 108.800 -0.134 0.000 2.685 1437 G HA2 -0.402 3.562 3.960 0.005 0.000 0.357 1437 G HA3 -0.402 3.562 3.960 0.005 0.000 0.357 1437 G C 0.998 175.825 174.900 -0.121 0.000 1.272 1437 G CA 1.322 46.365 45.100 -0.093 0.000 0.972 1437 G HN 0.594 nan 8.290 nan 0.000 0.550 1438 T N 0.879 115.376 114.554 -0.095 0.000 2.856 1438 T HA -0.193 4.160 4.350 0.005 0.000 0.260 1438 T C 1.937 176.331 174.700 -0.509 0.000 1.043 1438 T CA 2.640 64.640 62.100 -0.167 0.000 1.155 1438 T CB -0.516 68.293 68.868 -0.099 0.000 0.825 1438 T HN 1.500 nan 8.240 nan 0.000 0.503 1439 G N -0.765 107.781 108.800 -0.424 0.000 3.575 1439 G HA2 0.471 4.434 3.960 0.005 0.000 0.273 1439 G HA3 0.471 4.434 3.960 0.005 0.000 0.273 1439 G C 0.836 175.487 174.900 -0.414 0.000 1.053 1439 G CA 0.349 45.172 45.100 -0.460 0.000 0.803 1439 G HN 0.514 nan 8.290 nan 0.000 0.528 1440 A N 0.467 123.040 122.820 -0.412 0.000 2.359 1440 A HA 0.639 4.963 4.320 0.005 0.000 0.240 1440 A C 0.106 177.767 177.584 0.129 0.000 1.306 1440 A CA -0.156 51.815 52.037 -0.111 0.000 0.898 1440 A CB -0.825 18.124 19.000 -0.086 0.000 0.956 1440 A HN 0.790 nan 8.150 nan 0.000 0.497 1441 F N -4.249 115.767 119.950 0.110 0.000 2.807 1441 F HA 0.647 5.177 4.527 0.005 0.000 0.316 1441 F C -1.588 174.265 175.800 0.088 0.000 1.162 1441 F CA -1.900 56.192 58.000 0.152 0.000 0.910 1441 F CB 0.377 39.526 39.000 0.249 0.000 1.314 1441 F HN -0.165 nan 8.300 nan 0.000 0.454 1442 D N 0.760 121.405 120.400 0.409 0.000 2.299 1442 D HA 0.707 5.351 4.640 0.005 0.000 0.243 1442 D C -1.105 175.376 176.300 0.302 0.000 0.982 1442 D CA -0.235 53.921 54.000 0.261 0.000 0.924 1442 D CB 2.691 43.572 40.800 0.135 0.000 1.238 1442 D HN 0.583 nan 8.370 nan 0.000 0.484 1443 V N 0.134 120.173 119.914 0.207 0.000 2.604 1443 V HA 0.681 4.804 4.120 0.005 0.000 0.305 1443 V C -0.130 176.021 176.094 0.095 0.000 1.043 1443 V CA -0.735 61.661 62.300 0.159 0.000 0.888 1443 V CB 1.639 33.564 31.823 0.171 0.000 0.995 1443 V HN 0.465 nan 8.190 nan 0.000 0.429 1444 M N 3.659 123.302 119.600 0.071 0.000 2.593 1444 M HA 0.648 5.131 4.480 0.005 0.000 0.290 1444 M C -1.431 174.896 176.300 0.045 0.000 1.244 1444 M CA -0.564 54.767 55.300 0.052 0.000 0.857 1444 M CB 2.679 35.304 32.600 0.041 0.000 1.738 1444 M HN 0.562 nan 8.290 nan 0.000 0.461 1445 I N 0.891 121.485 120.570 0.039 0.000 2.291 1445 I HA 0.207 4.380 4.170 0.005 0.000 0.292 1445 I C -0.194 175.937 176.117 0.024 0.000 1.064 1445 I CA -0.238 61.085 61.300 0.038 0.000 1.269 1445 I CB -0.174 37.848 38.000 0.036 0.000 1.418 1445 I HN 0.406 nan 8.210 nan 0.000 0.485 1446 D N 5.689 126.099 120.400 0.017 0.000 2.374 1446 D HA -0.024 4.620 4.640 0.005 0.000 0.240 1446 D C 1.252 177.540 176.300 -0.020 0.000 1.229 1446 D CA 0.153 54.150 54.000 -0.006 0.000 0.895 1446 D CB 0.706 41.495 40.800 -0.019 0.000 1.046 1446 D HN 0.561 nan 8.370 nan 0.000 0.498 1447 E N 3.573 123.764 120.200 -0.015 0.000 2.130 1447 E HA -0.252 4.101 4.350 0.005 0.000 0.196 1447 E C 0.968 177.541 176.600 -0.046 0.000 0.998 1447 E CA 1.206 57.594 56.400 -0.020 0.000 0.806 1447 E CB 0.303 29.996 29.700 -0.012 0.000 0.738 1447 E HN 0.679 nan 8.360 nan 0.000 0.459 1448 E N 0.070 120.236 120.200 -0.056 0.000 2.000 1448 E HA -0.183 4.170 4.350 0.005 0.000 0.199 1448 E C 2.097 178.610 176.600 -0.146 0.000 1.011 1448 E CA 1.934 58.285 56.400 -0.081 0.000 0.836 1448 E CB -0.175 29.482 29.700 -0.071 0.000 0.778 1448 E HN 0.332 nan 8.360 nan 0.000 0.462 1449 S N 0.969 116.555 115.700 -0.191 0.000 2.462 1449 S HA -0.187 4.286 4.470 0.005 0.000 0.243 1449 S C 1.753 176.051 174.600 -0.503 0.000 1.003 1449 S CA 0.811 58.773 58.200 -0.396 0.000 0.970 1449 S CB -0.220 62.782 63.200 -0.329 0.000 0.762 1449 S HN 0.208 nan 8.310 nan 0.000 0.510 1450 L N 1.042 122.144 121.223 -0.202 0.000 2.675 1450 L HA 0.326 4.669 4.340 0.005 0.000 0.239 1450 L C 1.316 178.155 176.870 -0.052 0.000 1.151 1450 L CA 0.420 55.219 54.840 -0.068 0.000 0.905 1450 L CB -0.130 41.933 42.059 0.006 0.000 1.057 1450 L HN 0.228 nan 8.230 nan 0.000 0.435 1451 V N -2.052 117.788 119.914 -0.125 0.000 3.090 1451 V HA 0.032 4.155 4.120 0.005 0.000 0.237 1451 V C 2.052 178.108 176.094 -0.063 0.000 1.209 1451 V CA 0.274 62.538 62.300 -0.060 0.000 1.209 1451 V CB -0.056 31.734 31.823 -0.055 0.000 0.971 1451 V HN 0.221 nan 8.190 nan 0.000 0.477 1452 K N 0.040 120.342 120.400 -0.163 0.000 2.360 1452 K HA -0.093 4.231 4.320 0.005 0.000 0.201 1452 K C 0.107 176.734 176.600 0.044 0.000 1.046 1452 K CA 1.126 57.346 56.287 -0.111 0.000 0.940 1452 K CB -0.173 32.208 32.500 -0.197 0.000 0.748 1452 K HN 0.523 nan 8.250 nan 0.000 0.465 1453 Y N 2.136 122.437 120.300 0.003 0.000 2.691 1453 Y HA 0.183 4.736 4.550 0.005 0.000 0.338 1453 Y C 0.074 175.977 175.900 0.005 0.000 1.148 1453 Y CA -0.973 57.129 58.100 0.003 0.000 1.430 1453 Y CB -0.224 38.238 38.460 0.005 0.000 1.303 1453 Y HN 0.029 nan 8.280 nan 0.000 0.499 1454 M N 2.061 121.753 119.600 0.154 0.000 2.410 1454 M HA 0.335 4.818 4.480 0.005 0.000 0.255 1454 M C -3.321 173.014 176.300 0.058 0.000 0.936 1454 M CA -1.264 54.086 55.300 0.084 0.000 0.828 1454 M CB 0.624 33.265 32.600 0.067 0.000 2.029 1454 M HN 0.142 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 63.117 63.100 0.029 0.000 0.800 1455 P CB 0.000 31.713 31.700 0.022 0.000 0.726