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 2nvy_1_A DATA FIRST_RESID 2 DATA SEQUENCE VGQQYSSAPL RTVKEVQFGL FSPEEVRAIS VAKIRFPETM DETQTRAKIG DATA SEQUENCE GLNDPRLGSI DRNLKCQTCQ EGMNECPGHF GHIDLAKPVF HVGFIAKIKK DATA SEQUENCE VCECVCMHCG KLLLDEHNEL MRQALAIKDS KKRFAAIWTL CKTKMVCETD DATA SEQUENCE VPSEDDPTQL VSRGGCGNTQ PTIRKDGLKL VGSWKKDRAT GDADEPELRV DATA SEQUENCE LSTEEILNIF KHISVKDFTS LGFNEVFSRP EWMILTCLPV PPPPVRPSIS DATA SEQUENCE FNESQRGEDD LTFKLADILK ANISLETLEH NGAPHHAIEE AESLLQFHVA DATA SEQUENCE TYMDNDIAGQ PQALQKSGRP VKSIRARLKG KEGRIRGNLM GKRVDFSART DATA SEQUENCE VISGDPNLEL DQVGVPKSIA KTLTYPEVVT PYNIDRLTQL VRNGPNEHPG DATA SEQUENCE AKYVIRDSGD RIDLRYSKRA GDIQLQYGWK VERHIMDNDP VLFNRQPSLH DATA SEQUENCE KMSMMAHRVK VIPYSTFRLN LSVTSPYNAD FDGDEMNLHV PQSEETRAEL DATA SEQUENCE SQLCAVPLQI VSPQSNKPCM GIVQDTLCGI RKLTLRDTFI ELDQVLNMLY DATA SEQUENCE WVPDWDGVIP TPAIIKPKPL WSGKQILSVA IPNGIHLQRF DEGTTLLSPK DATA SEQUENCE DNGMLIIDGQ IIFGVVEKKT VGSSNGGLIH VVTREKGPQV CAKLFGNIQK DATA SEQUENCE VVNFWLLHNG FSTGIGDTIA DGPTMREITE TIAEAKKKVL DVTKEAQANL DATA SEQUENCE LTAKHGMTLR ESFEDNVVRF LNEARDKAGR LAEVNLKDLN NVKQMVMAGS DATA SEQUENCE KGSFINIAQM SACVGQQSVE GKRIAFGFVD RTLPHFSKDD YSPESKGFVE DATA SEQUENCE NSYLRGLTPQ EFFFHAMGGR EGLIDTAVKT AETGYIQRRL VKALEDIMVH DATA SEQUENCE YDNTTRNSLG NVIQFIYGED GMDAAHIEKQ SLDTIGGSDA AFEKRYRVDL DATA SEQUENCE LNTDHTLDPS LLESGSEILG DLKLQVLLDE EYKQLVKDRK FLREVFVDGE DATA SEQUENCE ANWPLPVNIR RIIQNAQQTF HIDHTKPSDL TIKDIVLGVK DLQENLLVLR DATA SEQUENCE GKNEIIQNAQ RDAVTLFCCL LRSRLATRRV LQEYRLTKQA FDWVLSNIEA DATA SEQUENCE QFLRSVVHPG EMVGVLAAQS IGEPATQMTL XXXXXXXXXX KKVTSGVPRL DATA SEQUENCE KEILNVAKNM KTPSLTVYLE PGHAADQEQA KLIRSAIEHT TLKSVTIASE DATA SEQUENCE IYYDPDPRST VIPEDEEIIQ LHFSLXXXXX XXXXXQQSPW LLRLELDRAA DATA SEQUENCE MNDKDLTMGQ VGERIKQTFK NDLFVIWSED NDEKLIIRCR VVXXXXXXXX DATA SEQUENCE XXAEEDHMLK KIENTMLENI TLRGVENIER VVMMKYDRKV PSPTGEYVKE DATA SEQUENCE PEWVLETDGV NLSEVMTVPG IDPTRIYTNS FIDIMEVLGI EAGRAALYKE DATA SEQUENCE VYNVIASDGS YVNYRHMALL VDVMTTQGGL TSVTRHGFNR SNTGALMRCS DATA SEQUENCE FEETVEILFE AGASAELDDC RGVSENVILG QMAPIGTGAF DVMIDEESL 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 0.000 176.091 176.094 -0.005 0.000 1.182 2 V CA 0.000 62.297 62.300 -0.006 0.000 1.235 2 V CB 0.000 31.816 31.823 -0.012 0.000 1.184 3 G N 5.561 114.361 108.800 0.001 0.000 2.381 3 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.281 3 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.281 3 G C 0.353 175.263 174.900 0.017 0.000 0.984 3 G CA 0.832 45.936 45.100 0.006 0.000 1.339 3 G HN 1.402 nan 8.290 nan 0.000 0.485 4 Q N -0.821 118.994 119.800 0.025 0.000 2.480 4 Q HA -0.202 4.138 4.340 -0.000 0.000 0.217 4 Q C 1.754 177.795 176.000 0.067 0.000 0.993 4 Q CA 1.652 57.480 55.803 0.042 0.000 0.908 4 Q CB 0.051 28.812 28.738 0.038 0.000 0.927 4 Q HN 0.895 nan 8.270 nan 0.000 0.471 5 Q N -0.736 119.101 119.800 0.061 0.000 2.614 5 Q HA -0.010 4.330 4.340 -0.000 0.000 0.244 5 Q C -0.997 175.082 176.000 0.132 0.000 1.097 5 Q CA 0.228 56.085 55.803 0.090 0.000 0.986 5 Q CB 0.371 29.146 28.738 0.063 0.000 1.308 5 Q HN 0.198 nan 8.270 nan 0.000 0.546 6 Y N -0.005 120.300 120.300 0.009 0.000 2.487 6 Y HA 0.496 5.046 4.550 -0.001 0.000 0.337 6 Y C -0.920 174.986 175.900 0.009 0.000 1.076 6 Y CA -0.243 57.862 58.100 0.009 0.000 1.115 6 Y CB 1.873 40.338 38.460 0.008 0.000 1.235 6 Y HN 0.659 nan 8.280 nan 0.000 0.468 7 S N 0.533 116.045 115.700 -0.313 0.000 2.614 7 S HA 0.244 4.713 4.470 -0.000 0.000 0.275 7 S C 0.206 174.665 174.600 -0.234 0.000 1.161 7 S CA -0.204 57.911 58.200 -0.142 0.000 0.969 7 S CB 1.100 64.231 63.200 -0.114 0.000 1.059 7 S HN 0.788 nan 8.310 nan 0.000 0.482 8 S N 2.417 118.120 115.700 0.005 0.000 2.419 8 S HA 0.076 4.546 4.470 -0.000 0.000 0.233 8 S C 1.160 175.747 174.600 -0.023 0.000 1.016 8 S CA 0.359 58.592 58.200 0.055 0.000 0.974 8 S CB -0.905 62.358 63.200 0.106 0.000 0.786 8 S HN 1.640 nan 8.310 nan 0.000 0.492 9 A N 3.665 126.460 122.820 -0.043 0.000 2.580 9 A HA 0.383 4.703 4.320 -0.000 0.000 0.244 9 A C -1.778 175.769 177.584 -0.062 0.000 1.045 9 A CA -0.864 51.148 52.037 -0.041 0.000 0.761 9 A CB -0.838 18.139 19.000 -0.038 0.000 0.962 9 A HN 0.392 nan 8.150 nan 0.000 0.512 10 P HA 0.098 nan 4.420 nan 0.000 0.264 10 P C -0.469 176.800 177.300 -0.050 0.000 1.179 10 P CA -0.045 63.033 63.100 -0.037 0.000 0.763 10 P CB 0.269 31.957 31.700 -0.020 0.000 0.806 11 L N 4.421 125.612 121.223 -0.053 0.000 2.260 11 L HA 0.332 4.672 4.340 -0.000 0.000 0.289 11 L C 0.259 177.107 176.870 -0.037 0.000 1.057 11 L CA 0.428 55.236 54.840 -0.053 0.000 0.811 11 L CB -0.150 41.874 42.059 -0.059 0.000 1.184 11 L HN 0.314 nan 8.230 nan 0.000 0.429 12 R N 2.180 122.659 120.500 -0.035 0.000 2.987 12 R HA 0.752 5.092 4.340 -0.000 0.000 0.248 12 R C -0.983 175.299 176.300 -0.031 0.000 1.264 12 R CA -0.697 55.385 56.100 -0.029 0.000 1.026 12 R CB 1.998 32.282 30.300 -0.026 0.000 1.286 12 R HN 0.621 nan 8.270 nan 0.000 0.483 13 T N -1.704 112.832 114.554 -0.029 0.000 2.861 13 T HA 0.300 4.650 4.350 -0.000 0.000 0.287 13 T C -0.033 174.648 174.700 -0.032 0.000 1.003 13 T CA -0.785 61.296 62.100 -0.031 0.000 0.977 13 T CB 1.702 70.551 68.868 -0.032 0.000 0.996 13 T HN 0.178 nan 8.240 nan 0.000 0.448 14 V N 4.469 124.362 119.914 -0.036 0.000 2.506 14 V HA 0.030 4.150 4.120 -0.000 0.000 0.296 14 V C 1.213 177.284 176.094 -0.037 0.000 1.004 14 V CA 0.288 62.563 62.300 -0.043 0.000 1.150 14 V CB -0.182 31.611 31.823 -0.050 0.000 0.911 14 V HN 0.841 nan 8.190 nan 0.000 0.476 15 K N 3.078 123.456 120.400 -0.037 0.000 2.276 15 K HA 0.272 4.592 4.320 -0.000 0.000 0.198 15 K C 0.572 177.153 176.600 -0.032 0.000 1.052 15 K CA 0.646 56.917 56.287 -0.027 0.000 0.984 15 K CB 0.548 33.037 32.500 -0.019 0.000 0.836 15 K HN 0.713 nan 8.250 nan 0.000 0.490 16 E N 0.382 120.551 120.200 -0.052 0.000 2.340 16 E HA 0.332 4.682 4.350 -0.000 0.000 0.273 16 E C -1.302 175.227 176.600 -0.118 0.000 0.891 16 E CA -0.643 55.715 56.400 -0.068 0.000 0.757 16 E CB 3.065 32.724 29.700 -0.068 0.000 1.231 16 E HN -0.293 nan 8.360 nan 0.000 0.439 17 V N 2.578 122.405 119.914 -0.145 0.000 2.384 17 V HA 0.169 4.289 4.120 -0.000 0.000 0.287 17 V C -0.430 175.452 176.094 -0.353 0.000 1.020 17 V CA -0.680 61.444 62.300 -0.293 0.000 0.850 17 V CB 1.535 33.139 31.823 -0.365 0.000 0.987 17 V HN 0.547 nan 8.190 nan 0.000 0.436 18 Q N 4.571 124.110 119.800 -0.435 0.000 2.331 18 Q HA 0.476 4.816 4.340 -0.000 0.000 0.257 18 Q C -1.335 174.333 176.000 -0.553 0.000 0.957 18 Q CA 0.057 55.575 55.803 -0.477 0.000 0.923 18 Q CB 0.790 29.175 28.738 -0.588 0.000 1.212 18 Q HN 0.529 nan 8.270 nan 0.000 0.443 19 F N 2.401 122.190 119.950 -0.267 0.000 2.385 19 F HA 0.803 5.330 4.527 -0.001 0.000 0.336 19 F C 1.151 176.845 175.800 -0.177 0.000 1.100 19 F CA 0.648 58.539 58.000 -0.182 0.000 1.116 19 F CB 1.937 40.874 39.000 -0.105 0.000 1.166 19 F HN 0.688 nan 8.300 nan 0.000 0.511 20 G N 2.119 110.972 108.800 0.088 0.000 2.619 20 G HA2 0.578 4.538 3.960 -0.000 0.000 0.305 20 G HA3 0.578 4.538 3.960 -0.000 0.000 0.305 20 G C -2.097 172.852 174.900 0.082 0.000 1.330 20 G CA -0.949 44.218 45.100 0.112 0.000 0.789 20 G HN 0.490 nan 8.290 nan 0.000 0.487 21 L N 0.254 121.556 121.223 0.133 0.000 2.317 21 L HA 0.479 4.818 4.340 -0.000 0.000 0.281 21 L C -0.518 176.331 176.870 -0.035 0.000 1.024 21 L CA -0.684 54.219 54.840 0.105 0.000 0.810 21 L CB 1.872 44.032 42.059 0.168 0.000 1.240 21 L HN 0.450 nan 8.230 nan 0.000 0.427 22 F N 2.009 121.923 119.950 -0.062 0.000 2.519 22 F HA 0.007 4.534 4.527 -0.000 0.000 0.375 22 F C 1.213 176.715 175.800 -0.496 0.000 1.084 22 F CA -0.233 57.626 58.000 -0.235 0.000 1.147 22 F CB 0.717 39.649 39.000 -0.114 0.000 1.088 22 F HN 0.544 nan 8.300 nan 0.000 0.555 23 S N 5.896 121.036 115.700 -0.933 0.000 2.568 23 S HA 0.087 4.557 4.470 -0.000 0.000 0.282 23 S C -1.493 172.813 174.600 -0.491 0.000 1.338 23 S CA -1.213 56.050 58.200 -1.561 0.000 1.045 23 S CB 1.038 63.037 63.200 -2.002 0.000 0.873 23 S HN 0.438 nan 8.310 nan 0.000 0.516 24 P HA -0.126 nan 4.420 nan 0.000 0.216 24 P C 1.029 178.281 177.300 -0.080 0.000 1.150 24 P CA 1.262 64.319 63.100 -0.071 0.000 0.837 24 P CB 0.032 31.748 31.700 0.027 0.000 0.786 25 E N 0.473 120.612 120.200 -0.102 0.000 2.035 25 E HA -0.228 4.122 4.350 -0.000 0.000 0.204 25 E C 2.210 178.754 176.600 -0.094 0.000 1.025 25 E CA 1.645 57.998 56.400 -0.079 0.000 0.835 25 E CB -0.921 28.744 29.700 -0.059 0.000 0.764 25 E HN 0.396 nan 8.360 nan 0.000 0.457 26 E N -0.016 120.116 120.200 -0.113 0.000 2.077 26 E HA -0.174 4.175 4.350 -0.000 0.000 0.193 26 E C 1.967 178.525 176.600 -0.070 0.000 0.989 26 E CA 1.279 57.664 56.400 -0.025 0.000 0.800 26 E CB 0.096 29.849 29.700 0.088 0.000 0.746 26 E HN 0.081 nan 8.360 nan 0.000 0.452 27 V N 1.117 120.932 119.914 -0.165 0.000 2.453 27 V HA -0.298 3.822 4.120 -0.000 0.000 0.252 27 V C 2.334 178.321 176.094 -0.179 0.000 1.068 27 V CA 2.135 64.226 62.300 -0.349 0.000 1.070 27 V CB -0.581 31.097 31.823 -0.241 0.000 0.664 27 V HN 0.264 nan 8.190 nan 0.000 0.461 28 R N 0.078 120.492 120.500 -0.145 0.000 2.055 28 R HA 0.057 4.396 4.340 -0.000 0.000 0.226 28 R C 2.569 178.750 176.300 -0.198 0.000 1.135 28 R CA 1.220 57.156 56.100 -0.273 0.000 0.959 28 R CB -0.703 29.418 30.300 -0.299 0.000 0.854 28 R HN 0.484 nan 8.270 nan 0.000 0.431 29 A N 1.997 124.742 122.820 -0.125 0.000 1.958 29 A HA -0.209 4.111 4.320 -0.000 0.000 0.221 29 A C 2.200 179.753 177.584 -0.051 0.000 1.178 29 A CA 2.030 54.021 52.037 -0.077 0.000 0.642 29 A CB -0.686 18.285 19.000 -0.047 0.000 0.816 29 A HN 0.498 nan 8.150 nan 0.000 0.453 30 I N -1.888 118.655 120.570 -0.044 0.000 3.030 30 I HA 0.092 4.262 4.170 -0.000 0.000 0.270 30 I C 1.188 177.311 176.117 0.010 0.000 1.211 30 I CA 0.572 61.869 61.300 -0.004 0.000 1.479 30 I CB -0.355 37.657 38.000 0.020 0.000 1.105 30 I HN 0.226 nan 8.210 nan 0.000 0.447 31 S N 1.436 117.121 115.700 -0.025 0.000 2.579 31 S HA 0.277 4.747 4.470 -0.000 0.000 0.275 31 S C 1.064 175.676 174.600 0.020 0.000 1.345 31 S CA -0.162 58.058 58.200 0.033 0.000 1.031 31 S CB 1.652 64.873 63.200 0.034 0.000 0.892 31 S HN 0.377 nan 8.310 nan 0.000 0.529 32 V N -1.340 118.608 119.914 0.058 0.000 3.212 32 V HA 0.571 4.690 4.120 -0.000 0.000 0.244 32 V C 0.916 177.020 176.094 0.017 0.000 1.151 32 V CA 0.447 62.760 62.300 0.021 0.000 1.119 32 V CB -1.197 30.635 31.823 0.015 0.000 0.838 32 V HN 1.087 nan 8.190 nan 0.000 0.470 33 A N 0.299 123.149 122.820 0.051 0.000 2.261 33 A HA 0.727 5.047 4.320 -0.000 0.000 0.323 33 A C 0.918 178.580 177.584 0.129 0.000 1.107 33 A CA 0.053 52.125 52.037 0.058 0.000 0.883 33 A CB 1.635 20.661 19.000 0.044 0.000 1.251 33 A HN 0.280 nan 8.150 nan 0.000 0.502 34 K N -0.823 119.654 120.400 0.129 0.000 2.399 34 K HA 0.401 4.721 4.320 -0.000 0.000 0.196 34 K C -0.704 175.917 176.600 0.035 0.000 1.117 34 K CA 0.148 56.585 56.287 0.251 0.000 0.965 34 K CB -0.084 32.524 32.500 0.179 0.000 0.983 34 K HN 0.678 nan 8.250 nan 0.000 0.531 35 I N 2.151 122.723 120.570 0.003 0.000 8.182 35 I HA -0.325 3.845 4.170 -0.000 0.000 0.126 35 I C 0.276 176.343 176.117 -0.083 0.000 1.835 35 I CA 0.317 61.594 61.300 -0.038 0.000 2.072 35 I CB -0.190 37.778 38.000 -0.053 0.000 3.753 35 I HN 0.333 nan 8.210 nan 0.000 0.180 36 R N 3.716 124.167 120.500 -0.083 0.000 2.342 36 R HA 0.360 4.700 4.340 -0.000 0.000 0.179 36 R C 0.153 176.364 176.300 -0.149 0.000 0.989 36 R CA -0.062 55.935 56.100 -0.172 0.000 1.125 36 R CB 0.191 30.316 30.300 -0.292 0.000 1.211 36 R HN 0.284 nan 8.270 nan 0.000 0.568 37 F N 4.319 124.244 119.950 -0.041 0.000 2.541 37 F HA 0.108 4.635 4.527 -0.000 0.000 0.378 37 F C -1.329 174.448 175.800 -0.038 0.000 1.068 37 F CA -1.912 56.068 58.000 -0.034 0.000 1.199 37 F CB 1.018 40.003 39.000 -0.026 0.000 1.091 37 F HN -0.000 nan 8.300 nan 0.000 0.555 38 P HA 0.047 nan 4.420 nan 0.000 0.258 38 P C -0.691 176.661 177.300 0.086 0.000 1.403 38 P CA 0.627 63.781 63.100 0.089 0.000 0.826 38 P CB 0.101 31.834 31.700 0.055 0.000 1.414 39 E N -1.316 118.938 120.200 0.090 0.000 2.450 39 E HA 0.605 4.954 4.350 -0.000 0.000 0.272 39 E C -0.630 175.968 176.600 -0.004 0.000 0.967 39 E CA -0.717 55.702 56.400 0.032 0.000 0.818 39 E CB 1.777 31.474 29.700 -0.005 0.000 1.401 39 E HN -0.226 nan 8.360 nan 0.000 0.450 40 T N 0.428 114.965 114.554 -0.029 0.000 2.868 40 T HA 0.499 4.848 4.350 -0.000 0.000 0.306 40 T C -0.661 174.007 174.700 -0.053 0.000 1.224 40 T CA -0.715 61.358 62.100 -0.044 0.000 1.012 40 T CB 1.063 69.903 68.868 -0.047 0.000 1.221 40 T HN 0.666 nan 8.240 nan 0.000 0.499 41 M N 0.544 120.110 119.600 -0.056 0.000 7.319 41 M HA -0.163 4.316 4.480 -0.000 0.000 0.160 41 M C -0.712 175.549 176.300 -0.065 0.000 0.480 41 M CA 0.352 55.621 55.300 -0.051 0.000 1.311 41 M CB -0.769 31.810 32.600 -0.036 0.000 0.421 41 M HN 0.870 nan 8.290 nan 0.000 0.192 42 D N 1.061 121.430 120.400 -0.051 0.000 2.802 42 D HA -0.139 4.500 4.640 -0.000 0.000 0.229 42 D C -0.626 175.627 176.300 -0.079 0.000 1.203 42 D CA 1.450 55.418 54.000 -0.053 0.000 0.712 42 D CB -0.847 39.929 40.800 -0.040 0.000 0.973 42 D HN 0.512 nan 8.370 nan 0.000 0.407 43 E N 0.084 120.235 120.200 -0.083 0.000 1.774 43 E HA 0.102 4.452 4.350 -0.000 0.000 0.265 43 E C 0.592 177.146 176.600 -0.077 0.000 1.207 43 E CA 0.090 56.428 56.400 -0.104 0.000 1.054 43 E CB -0.124 29.523 29.700 -0.088 0.000 1.074 43 E HN 0.237 nan 8.360 nan 0.000 0.433 44 T N 1.259 115.766 114.554 -0.078 0.000 4.886 44 T HA -0.307 4.042 4.350 -0.000 0.000 0.295 44 T C 0.748 175.425 174.700 -0.038 0.000 1.495 44 T CA 0.975 63.044 62.100 -0.052 0.000 2.670 44 T CB -1.561 67.283 68.868 -0.039 0.000 1.686 44 T HN 0.743 nan 8.240 nan 0.000 0.981 45 Q N -2.328 117.448 119.800 -0.041 0.000 4.421 45 Q HA -0.145 4.194 4.340 -0.000 0.000 0.222 45 Q C -0.211 175.773 176.000 -0.027 0.000 0.800 45 Q CA 1.289 57.075 55.803 -0.029 0.000 0.996 45 Q CB -1.793 26.932 28.738 -0.020 0.000 0.725 45 Q HN 0.698 nan 8.270 nan 0.000 1.098 46 T N 3.155 117.691 114.554 -0.030 0.000 2.825 46 T HA 0.165 4.515 4.350 -0.000 0.000 0.270 46 T C 0.285 174.968 174.700 -0.029 0.000 0.919 46 T CA 0.218 62.303 62.100 -0.026 0.000 1.159 46 T CB -0.016 68.838 68.868 -0.024 0.000 0.889 46 T HN 0.098 nan 8.240 nan 0.000 0.565 47 R N 1.968 122.454 120.500 -0.023 0.000 2.811 47 R HA 0.428 4.767 4.340 -0.000 0.000 0.265 47 R C 0.915 177.200 176.300 -0.025 0.000 1.026 47 R CA 0.430 56.515 56.100 -0.024 0.000 1.142 47 R CB 0.275 30.565 30.300 -0.016 0.000 1.027 47 R HN 0.803 nan 8.270 nan 0.000 0.465 48 A N 1.044 123.848 122.820 -0.028 0.000 3.564 48 A HA 0.028 4.348 4.320 -0.000 0.000 0.053 48 A C -1.237 176.327 177.584 -0.033 0.000 1.299 48 A CA -0.293 51.727 52.037 -0.027 0.000 1.187 48 A CB -0.095 18.891 19.000 -0.024 0.000 0.836 48 A HN 0.539 nan 8.150 nan 0.000 0.400 49 K N -0.607 119.773 120.400 -0.033 0.000 2.575 49 K HA 0.749 5.069 4.320 -0.000 0.000 0.279 49 K C -1.481 175.098 176.600 -0.034 0.000 0.969 49 K CA -0.251 56.016 56.287 -0.034 0.000 0.868 49 K CB 2.203 34.687 32.500 -0.026 0.000 1.457 49 K HN 0.612 nan 8.250 nan 0.000 0.426 50 I N 0.177 120.728 120.570 -0.032 0.000 2.562 50 I HA 0.302 4.472 4.170 -0.000 0.000 0.301 50 I C 1.350 177.495 176.117 0.046 0.000 1.003 50 I CA -0.807 60.482 61.300 -0.018 0.000 1.127 50 I CB 1.802 39.747 38.000 -0.091 0.000 1.304 50 I HN 0.881 nan 8.210 nan 0.000 0.446 51 G N 2.748 111.602 108.800 0.089 0.000 2.843 51 G HA2 0.014 3.974 3.960 -0.000 0.000 0.205 51 G HA3 0.014 3.974 3.960 -0.000 0.000 0.205 51 G C 1.009 175.984 174.900 0.124 0.000 1.160 51 G CA 0.711 45.868 45.100 0.095 0.000 0.819 51 G HN 0.934 nan 8.290 nan 0.000 0.516 52 G N -0.515 108.389 108.800 0.174 0.000 2.763 52 G HA2 0.429 4.388 3.960 -0.000 0.000 0.205 52 G HA3 0.429 4.388 3.960 -0.000 0.000 0.205 52 G C 0.342 175.288 174.900 0.077 0.000 1.137 52 G CA -0.112 45.092 45.100 0.173 0.000 0.839 52 G HN 0.337 nan 8.290 nan 0.000 0.596 53 L N -0.906 120.349 121.223 0.054 0.000 2.350 53 L HA 0.391 4.730 4.340 -0.000 0.000 0.260 53 L C -0.121 176.738 176.870 -0.018 0.000 1.015 53 L CA -0.867 53.974 54.840 0.002 0.000 0.821 53 L CB 2.254 44.306 42.059 -0.011 0.000 1.370 53 L HN 0.175 nan 8.230 nan 0.000 0.416 54 N N 0.541 119.216 118.700 -0.040 0.000 2.765 54 N HA -0.253 4.487 4.740 -0.000 0.000 0.248 54 N C -0.132 175.357 175.510 -0.034 0.000 1.063 54 N CA 1.715 54.735 53.050 -0.050 0.000 0.862 54 N CB -0.799 37.650 38.487 -0.064 0.000 1.145 54 N HN 0.823 nan 8.380 nan 0.000 0.581 55 D N -3.262 117.126 120.400 -0.020 0.000 1.847 55 D HA 0.125 4.765 4.640 -0.000 0.000 0.433 55 D C -1.669 174.627 176.300 -0.006 0.000 1.046 55 D CA 0.347 54.339 54.000 -0.013 0.000 1.009 55 D CB -0.469 40.324 40.800 -0.012 0.000 1.834 55 D HN -0.043 nan 8.370 nan 0.000 0.542 56 P HA -0.192 nan 4.420 nan 0.000 0.225 56 P C 0.783 178.080 177.300 -0.005 0.000 1.154 56 P CA 1.964 65.069 63.100 0.008 0.000 0.885 56 P CB 0.130 31.841 31.700 0.018 0.000 0.785 57 R N -3.956 116.537 120.500 -0.011 0.000 2.658 57 R HA 0.205 4.545 4.340 -0.000 0.000 0.223 57 R C 0.859 177.141 176.300 -0.029 0.000 0.985 57 R CA -0.205 55.873 56.100 -0.036 0.000 1.290 57 R CB 0.111 30.381 30.300 -0.051 0.000 1.723 57 R HN 0.110 nan 8.270 nan 0.000 0.527 58 L N 1.163 122.390 121.223 0.006 0.000 2.453 58 L HA 0.085 4.424 4.340 -0.000 0.000 0.274 58 L C 1.219 178.130 176.870 0.069 0.000 1.270 58 L CA 0.488 55.355 54.840 0.044 0.000 0.822 58 L CB -0.276 41.776 42.059 -0.012 0.000 1.091 58 L HN 0.144 nan 8.230 nan 0.000 0.546 59 G N 0.580 109.437 108.800 0.096 0.000 2.349 59 G HA2 0.115 4.074 3.960 -0.000 0.000 0.232 59 G HA3 0.115 4.074 3.960 -0.000 0.000 0.232 59 G C 0.318 175.231 174.900 0.020 0.000 1.240 59 G CA 0.057 45.200 45.100 0.072 0.000 0.870 59 G HN 0.771 nan 8.290 nan 0.000 0.528 60 S N 1.081 116.793 115.700 0.022 0.000 2.693 60 S HA 0.775 5.245 4.470 -0.000 0.000 0.276 60 S C 0.271 174.860 174.600 -0.018 0.000 1.192 60 S CA -0.727 57.473 58.200 -0.000 0.000 0.994 60 S CB 1.307 64.511 63.200 0.005 0.000 1.012 60 S HN 0.612 nan 8.310 nan 0.000 0.550 61 I N -1.327 119.228 120.570 -0.025 0.000 3.580 61 I HA 0.527 4.697 4.170 -0.000 0.000 0.296 61 I C -0.449 175.652 176.117 -0.027 0.000 1.146 61 I CA -1.123 60.157 61.300 -0.034 0.000 1.051 61 I CB 0.751 38.721 38.000 -0.050 0.000 1.364 61 I HN 0.568 nan 8.210 nan 0.000 0.482 62 D N 1.098 121.479 120.400 -0.031 0.000 2.981 62 D HA -0.169 4.471 4.640 -0.000 0.000 0.223 62 D C 0.504 176.794 176.300 -0.016 0.000 1.151 62 D CA 0.796 54.782 54.000 -0.023 0.000 0.827 62 D CB -0.493 40.295 40.800 -0.020 0.000 1.101 62 D HN 0.757 nan 8.370 nan 0.000 0.426 63 R N -2.097 118.393 120.500 -0.017 0.000 4.024 63 R HA -0.223 4.117 4.340 -0.000 0.000 0.391 63 R C -0.119 176.178 176.300 -0.006 0.000 1.157 63 R CA 1.094 57.187 56.100 -0.011 0.000 1.215 63 R CB -1.494 28.801 30.300 -0.008 0.000 1.738 63 R HN 0.276 nan 8.270 nan 0.000 0.566 64 N N 1.521 120.217 118.700 -0.007 0.000 2.483 64 N HA 0.047 4.787 4.740 -0.000 0.000 0.264 64 N C 1.491 177.003 175.510 0.003 0.000 1.197 64 N CA 0.171 53.219 53.050 -0.002 0.000 0.927 64 N CB 0.528 39.012 38.487 -0.005 0.000 1.065 64 N HN 0.167 nan 8.380 nan 0.000 0.461 65 L N 1.406 122.633 121.223 0.006 0.000 2.072 65 L HA -0.008 4.332 4.340 -0.000 0.000 0.205 65 L C 0.750 177.629 176.870 0.016 0.000 1.079 65 L CA 0.782 55.630 54.840 0.013 0.000 0.752 65 L CB -0.360 41.706 42.059 0.012 0.000 0.906 65 L HN 0.346 nan 8.230 nan 0.000 0.436 66 K N 0.650 121.055 120.400 0.009 0.000 2.511 66 K HA -0.106 4.214 4.320 -0.000 0.000 0.277 66 K C -0.195 176.409 176.600 0.007 0.000 1.025 66 K CA 0.249 56.539 56.287 0.004 0.000 1.112 66 K CB 0.288 32.786 32.500 -0.002 0.000 0.859 66 K HN 0.246 nan 8.250 nan 0.000 0.485 67 C N 3.750 123.050 119.300 0.000 0.000 2.706 67 C HA 0.080 4.539 4.460 -0.000 0.000 0.265 67 C C -0.428 174.509 174.990 -0.088 0.000 1.413 67 C CA -0.280 58.739 59.018 0.001 0.000 0.938 67 C CB -1.337 26.452 27.740 0.082 0.000 1.889 67 C HN 1.093 nan 8.230 nan 0.000 0.702 68 Q N 0.682 120.421 119.800 -0.101 0.000 2.504 68 Q HA -0.181 4.159 4.340 -0.000 0.000 0.269 68 Q C 0.810 176.757 176.000 -0.088 0.000 0.970 68 Q CA 0.979 56.700 55.803 -0.136 0.000 1.064 68 Q CB -1.961 26.607 28.738 -0.284 0.000 1.355 68 Q HN 1.009 nan 8.270 nan 0.000 0.557 69 T N -4.273 110.254 114.554 -0.045 0.000 6.885 69 T HA -0.350 4.000 4.350 -0.000 0.000 0.286 69 T C 1.172 175.871 174.700 -0.001 0.000 2.119 69 T CA 1.341 63.430 62.100 -0.018 0.000 3.358 69 T CB -2.665 66.193 68.868 -0.016 0.000 1.764 69 T HN 0.942 nan 8.240 nan 0.000 1.202 70 C N 0.951 120.254 119.300 0.005 0.000 2.562 70 C HA 0.400 4.860 4.460 -0.000 0.000 0.266 70 C C 1.551 176.581 174.990 0.067 0.000 1.382 70 C CA 0.369 59.423 59.018 0.060 0.000 1.742 70 C CB -1.071 26.757 27.740 0.147 0.000 1.812 70 C HN 0.796 nan 8.230 nan 0.000 0.559 71 Q N 0.253 120.080 119.800 0.046 0.000 1.113 71 Q HA -0.292 4.047 4.340 -0.000 0.000 0.352 71 Q C 0.804 176.829 176.000 0.042 0.000 1.021 71 Q CA 1.600 57.425 55.803 0.036 0.000 0.584 71 Q CB -1.206 27.550 28.738 0.029 0.000 4.825 71 Q HN 0.625 nan 8.270 nan 0.000 0.491 72 E N -1.636 118.583 120.200 0.031 0.000 4.363 72 E HA -0.310 4.040 4.350 -0.000 0.000 0.168 72 E C 0.639 177.249 176.600 0.018 0.000 1.142 72 E CA 1.417 57.832 56.400 0.026 0.000 2.522 72 E CB -1.606 28.111 29.700 0.030 0.000 1.706 72 E HN 1.490 nan 8.360 nan 0.000 0.510 73 G N -0.426 108.385 108.800 0.019 0.000 2.483 73 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.521 73 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.521 73 G C 0.368 175.270 174.900 0.002 0.000 1.278 73 G CA 0.109 45.215 45.100 0.010 0.000 0.965 73 G HN 0.099 nan 8.290 nan 0.000 0.504 74 M N 0.768 120.364 119.600 -0.006 0.000 2.539 74 M HA -0.036 4.444 4.480 -0.000 0.000 0.261 74 M C 1.810 178.099 176.300 -0.018 0.000 1.069 74 M CA 1.554 56.845 55.300 -0.016 0.000 1.081 74 M CB -0.329 32.258 32.600 -0.021 0.000 1.412 74 M HN 0.514 nan 8.290 nan 0.000 0.482 75 N N -0.743 117.949 118.700 -0.012 0.000 2.332 75 N HA 0.025 4.765 4.740 -0.000 0.000 0.190 75 N C 0.804 176.307 175.510 -0.012 0.000 1.117 75 N CA 0.538 53.580 53.050 -0.013 0.000 0.883 75 N CB 0.486 38.967 38.487 -0.009 0.000 1.089 75 N HN 0.304 nan 8.380 nan 0.000 0.480 76 E N 0.165 120.361 120.200 -0.007 0.000 2.434 76 E HA 0.122 4.472 4.350 -0.000 0.000 0.207 76 E C 0.179 176.774 176.600 -0.009 0.000 0.929 76 E CA -0.083 56.315 56.400 -0.004 0.000 1.001 76 E CB 0.537 30.241 29.700 0.006 0.000 1.016 76 E HN 0.114 nan 8.360 nan 0.000 0.502 77 C N 3.334 122.627 119.300 -0.012 0.000 2.514 77 C HA 0.387 4.847 4.460 -0.000 0.000 0.392 77 C C -2.181 172.756 174.990 -0.089 0.000 1.294 77 C CA -1.720 57.280 59.018 -0.031 0.000 1.957 77 C CB -0.159 27.584 27.740 0.006 0.000 2.541 77 C HN 0.136 nan 8.230 nan 0.000 0.569 78 P HA 0.256 nan 4.420 nan 0.000 0.245 78 P C 0.290 177.412 177.300 -0.297 0.000 1.740 78 P CA 0.362 63.368 63.100 -0.158 0.000 1.125 78 P CB 0.109 31.745 31.700 -0.106 0.000 1.747 79 G N 3.866 112.527 108.800 -0.232 0.000 2.227 79 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.250 79 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.250 79 G C 0.014 174.758 174.900 -0.261 0.000 0.910 79 G CA -0.125 44.826 45.100 -0.249 0.000 0.922 79 G HN 0.547 nan 8.290 nan 0.000 0.385 80 H N 1.305 120.376 119.070 0.001 0.000 2.505 80 H HA 0.293 4.849 4.556 -0.001 0.000 0.351 80 H C -0.402 174.936 175.328 0.018 0.000 1.151 80 H CA -0.209 55.878 56.048 0.065 0.000 1.339 80 H CB 1.077 30.867 29.762 0.048 0.000 1.483 80 H HN 0.339 nan 8.280 nan 0.000 0.558 81 F N 0.461 120.482 119.950 0.119 0.000 2.394 81 F HA 0.308 4.835 4.527 -0.000 0.000 0.340 81 F C 1.181 177.005 175.800 0.040 0.000 1.105 81 F CA 0.093 58.126 58.000 0.054 0.000 1.124 81 F CB 1.243 40.253 39.000 0.018 0.000 1.145 81 F HN 0.583 nan 8.300 nan 0.000 0.505 82 G N 1.142 110.003 108.800 0.103 0.000 2.537 82 G HA2 0.415 4.375 3.960 -0.000 0.000 0.297 82 G HA3 0.415 4.375 3.960 -0.000 0.000 0.297 82 G C -1.840 173.165 174.900 0.174 0.000 1.310 82 G CA -0.178 44.982 45.100 0.099 0.000 1.027 82 G HN 0.742 nan 8.290 nan 0.000 0.505 83 H N -1.778 117.294 119.070 0.003 0.000 3.012 83 H HA 0.665 5.220 4.556 -0.000 0.000 0.367 83 H C -1.482 173.824 175.328 -0.037 0.000 1.211 83 H CA -0.985 55.050 56.048 -0.022 0.000 1.139 83 H CB 1.883 31.627 29.762 -0.031 0.000 1.838 83 H HN 0.578 nan 8.280 nan 0.000 0.550 84 I N 3.943 124.064 120.570 -0.748 0.000 2.637 84 I HA 0.207 4.377 4.170 -0.000 0.000 0.285 84 I C -1.525 174.276 176.117 -0.527 0.000 1.222 84 I CA -0.591 60.361 61.300 -0.580 0.000 1.067 84 I CB 1.373 39.206 38.000 -0.278 0.000 1.279 84 I HN 0.644 nan 8.210 nan 0.000 0.441 85 D N 8.361 128.467 120.400 -0.489 0.000 2.390 85 D HA 0.297 4.936 4.640 -0.000 0.000 0.249 85 D C -0.182 176.035 176.300 -0.138 0.000 1.144 85 D CA 0.248 54.119 54.000 -0.216 0.000 0.880 85 D CB 1.829 42.571 40.800 -0.097 0.000 1.182 85 D HN 0.458 nan 8.370 nan 0.000 0.451 86 L N 1.966 123.140 121.223 -0.083 0.000 2.276 86 L HA 0.244 4.584 4.340 -0.000 0.000 0.286 86 L C 1.630 178.477 176.870 -0.038 0.000 1.061 86 L CA -0.703 54.103 54.840 -0.056 0.000 0.807 86 L CB 1.387 43.427 42.059 -0.030 0.000 1.177 86 L HN 0.416 nan 8.230 nan 0.000 0.429 87 A N 3.560 126.356 122.820 -0.041 0.000 1.978 87 A HA -0.065 4.255 4.320 -0.000 0.000 0.220 87 A C 0.940 178.512 177.584 -0.021 0.000 1.170 87 A CA 1.470 53.488 52.037 -0.031 0.000 0.636 87 A CB -0.080 18.901 19.000 -0.032 0.000 0.810 87 A HN 0.615 nan 8.150 nan 0.000 0.448 88 K N -1.044 119.344 120.400 -0.020 0.000 2.435 88 K HA 0.436 4.756 4.320 -0.000 0.000 0.251 88 K C -3.180 173.407 176.600 -0.021 0.000 0.954 88 K CA -2.542 53.732 56.287 -0.021 0.000 0.820 88 K CB 1.612 34.096 32.500 -0.027 0.000 1.292 88 K HN -0.057 nan 8.250 nan 0.000 0.436 89 P HA 0.114 nan 4.420 nan 0.000 0.267 89 P C -0.552 176.708 177.300 -0.067 0.000 1.200 89 P CA -0.249 62.834 63.100 -0.027 0.000 0.772 89 P CB 0.683 32.359 31.700 -0.041 0.000 0.855 90 V N 3.389 123.288 119.914 -0.025 0.000 2.808 90 V HA 0.240 4.359 4.120 -0.000 0.000 0.308 90 V C -0.352 175.808 176.094 0.110 0.000 1.099 90 V CA -0.667 61.617 62.300 -0.027 0.000 0.920 90 V CB 1.732 33.575 31.823 0.033 0.000 1.014 90 V HN 0.277 nan 8.190 nan 0.000 0.425 91 F N 3.285 123.302 119.950 0.112 0.000 2.571 91 F HA 0.178 4.705 4.527 -0.000 0.000 0.384 91 F C 0.847 176.767 175.800 0.200 0.000 1.058 91 F CA -0.043 58.051 58.000 0.155 0.000 1.200 91 F CB -0.370 38.710 39.000 0.132 0.000 1.077 91 F HN 0.575 nan 8.300 nan 0.000 0.558 92 H N 3.464 122.741 119.070 0.344 0.000 2.955 92 H HA 0.229 4.785 4.556 -0.000 0.000 0.290 92 H C 1.081 176.495 175.328 0.144 0.000 1.047 92 H CA -0.534 55.660 56.048 0.243 0.000 1.484 92 H CB 0.903 30.857 29.762 0.319 0.000 1.501 92 H HN 0.535 nan 8.280 nan 0.000 0.521 93 V N 3.441 123.520 119.914 0.275 0.000 2.257 93 V HA -0.375 3.745 4.120 -0.000 0.000 0.257 93 V C 2.519 178.652 176.094 0.065 0.000 1.077 93 V CA 2.150 64.546 62.300 0.159 0.000 1.063 93 V CB -1.484 30.385 31.823 0.077 0.000 0.664 93 V HN 0.957 nan 8.190 nan 0.000 0.450 94 G N -0.564 108.194 108.800 -0.071 0.000 2.475 94 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.220 94 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.220 94 G C 1.227 175.649 174.900 -0.796 0.000 1.125 94 G CA 1.271 45.953 45.100 -0.697 0.000 0.755 94 G HN 0.628 nan 8.290 nan 0.000 0.565 95 F N -0.282 119.544 119.950 -0.207 0.000 2.704 95 F HA 0.395 4.922 4.527 -0.000 0.000 0.304 95 F C 2.183 177.902 175.800 -0.136 0.000 1.094 95 F CA -0.715 57.182 58.000 -0.172 0.000 1.275 95 F CB 0.100 38.985 39.000 -0.192 0.000 1.073 95 F HN -0.009 nan 8.300 nan 0.000 0.586 96 I N 0.927 121.479 120.570 -0.031 0.000 2.121 96 I HA -0.454 3.716 4.170 -0.000 0.000 0.243 96 I C 2.777 178.803 176.117 -0.153 0.000 1.047 96 I CA 1.631 62.805 61.300 -0.210 0.000 1.308 96 I CB -0.823 37.109 38.000 -0.113 0.000 1.015 96 I HN 0.232 nan 8.210 nan 0.000 0.410 97 A N 0.646 123.414 122.820 -0.088 0.000 1.869 97 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 97 A C 2.394 179.948 177.584 -0.049 0.000 1.203 97 A CA 2.006 53.996 52.037 -0.078 0.000 0.638 97 A CB -0.563 18.381 19.000 -0.094 0.000 0.831 97 A HN 0.287 nan 8.150 nan 0.000 0.450 98 K N -0.602 119.802 120.400 0.006 0.000 2.025 98 K HA -0.058 4.261 4.320 -0.000 0.000 0.207 98 K C 1.988 178.672 176.600 0.141 0.000 1.049 98 K CA 1.403 57.736 56.287 0.077 0.000 0.933 98 K CB -0.602 31.968 32.500 0.117 0.000 0.714 98 K HN 0.616 nan 8.250 nan 0.000 0.438 99 I N 1.354 122.005 120.570 0.134 0.000 2.068 99 I HA -0.397 3.772 4.170 -0.000 0.000 0.238 99 I C 2.637 178.865 176.117 0.185 0.000 1.046 99 I CA 1.658 63.096 61.300 0.231 0.000 1.306 99 I CB -0.451 37.529 38.000 -0.034 0.000 1.023 99 I HN 0.214 nan 8.210 nan 0.000 0.399 100 K N 1.478 121.878 120.400 0.001 0.000 2.032 100 K HA -0.303 4.017 4.320 -0.000 0.000 0.218 100 K C 2.175 178.868 176.600 0.156 0.000 1.054 100 K CA 2.171 58.487 56.287 0.049 0.000 0.941 100 K CB -0.190 32.312 32.500 0.004 0.000 0.720 100 K HN 0.148 nan 8.250 nan 0.000 0.449 101 K N -0.036 120.429 120.400 0.109 0.000 2.074 101 K HA -0.148 4.171 4.320 -0.000 0.000 0.209 101 K C 2.044 178.837 176.600 0.322 0.000 1.048 101 K CA 1.761 58.084 56.287 0.060 0.000 0.926 101 K CB -0.096 32.242 32.500 -0.270 0.000 0.713 101 K HN 0.079 nan 8.250 nan 0.000 0.444 102 V N 0.613 120.778 119.914 0.418 0.000 2.358 102 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 102 V C 2.335 178.655 176.094 0.378 0.000 1.047 102 V CA 1.419 63.977 62.300 0.430 0.000 1.035 102 V CB -0.449 31.467 31.823 0.154 0.000 0.658 102 V HN 0.434 nan 8.190 nan 0.000 0.452 103 C N 0.063 119.593 119.300 0.382 0.000 2.409 103 C HA -0.155 4.305 4.460 -0.000 0.000 0.284 103 C C 2.579 177.695 174.990 0.210 0.000 1.354 103 C CA 1.125 60.316 59.018 0.287 0.000 1.787 103 C CB -1.142 26.717 27.740 0.197 0.000 1.900 103 C HN 0.620 nan 8.230 nan 0.000 0.520 104 E N -1.212 119.140 120.200 0.254 0.000 2.299 104 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 104 E C 1.868 178.567 176.600 0.165 0.000 0.998 104 E CA 0.941 57.463 56.400 0.204 0.000 0.851 104 E CB 0.037 29.931 29.700 0.324 0.000 0.795 104 E HN 0.708 nan 8.360 nan 0.000 0.492 105 C N -0.128 119.313 119.300 0.234 0.000 2.558 105 C HA 0.226 4.686 4.460 -0.000 0.000 0.288 105 C C 1.169 176.249 174.990 0.150 0.000 1.338 105 C CA -0.611 58.515 59.018 0.181 0.000 1.760 105 C CB 0.194 28.076 27.740 0.237 0.000 2.159 105 C HN 0.093 nan 8.230 nan 0.000 0.518 106 V N 0.383 120.403 119.914 0.176 0.000 2.834 106 V HA 0.395 4.515 4.120 -0.000 0.000 0.313 106 V C 0.078 176.254 176.094 0.137 0.000 1.060 106 V CA -0.657 61.738 62.300 0.157 0.000 0.989 106 V CB 1.575 33.512 31.823 0.189 0.000 1.041 106 V HN 0.568 nan 8.190 nan 0.000 0.459 107 C N 6.434 125.808 119.300 0.123 0.000 2.652 107 C HA 0.221 4.680 4.460 -0.000 0.000 0.412 107 C C 1.332 176.415 174.990 0.155 0.000 1.294 107 C CA -0.610 58.482 59.018 0.123 0.000 2.127 107 C CB 0.042 27.851 27.740 0.115 0.000 2.691 107 C HN 0.849 nan 8.230 nan 0.000 0.615 108 M N 5.151 124.856 119.600 0.174 0.000 2.652 108 M HA 0.102 4.582 4.480 -0.000 0.000 0.226 108 M C 1.038 177.490 176.300 0.253 0.000 1.244 108 M CA 0.850 56.272 55.300 0.203 0.000 0.986 108 M CB -1.529 31.200 32.600 0.214 0.000 1.666 108 M HN 0.852 nan 8.290 nan 0.000 0.460 109 H N -1.333 117.795 119.070 0.096 0.000 2.612 109 H HA 0.066 4.622 4.556 -0.000 0.000 0.193 109 H C 1.366 176.680 175.328 -0.023 0.000 0.875 109 H CA 0.865 56.945 56.048 0.054 0.000 0.923 109 H CB 0.858 30.657 29.762 0.063 0.000 1.170 109 H HN 0.473 nan 8.280 nan 0.000 0.459 110 C N -0.069 119.280 119.300 0.083 0.000 3.065 110 C HA 0.587 5.046 4.460 -0.000 0.000 0.285 110 C C 1.496 176.477 174.990 -0.014 0.000 1.257 110 C CA 0.360 59.357 59.018 -0.035 0.000 1.691 110 C CB 0.077 27.840 27.740 0.039 0.000 2.089 110 C HN 0.709 nan 8.230 nan 0.000 0.630 111 G N 1.472 110.320 108.800 0.081 0.000 2.256 111 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.272 111 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.272 111 G C -0.282 174.691 174.900 0.121 0.000 1.076 111 G CA 0.325 45.513 45.100 0.146 0.000 0.882 111 G HN 0.684 nan 8.290 nan 0.000 0.497 112 K N 0.258 120.718 120.400 0.101 0.000 2.358 112 K HA 0.455 4.774 4.320 -0.000 0.000 0.260 112 K C 0.815 177.466 176.600 0.084 0.000 0.956 112 K CA -0.969 55.367 56.287 0.081 0.000 0.834 112 K CB 0.900 33.440 32.500 0.066 0.000 1.102 112 K HN 0.228 nan 8.250 nan 0.000 0.431 113 L N 5.679 126.950 121.223 0.080 0.000 2.667 113 L HA -0.131 4.209 4.340 -0.000 0.000 0.278 113 L C 1.360 178.271 176.870 0.068 0.000 1.217 113 L CA 0.132 55.020 54.840 0.081 0.000 0.935 113 L CB 0.371 42.474 42.059 0.073 0.000 1.193 113 L HN 0.684 nan 8.230 nan 0.000 0.493 114 L N 5.275 126.536 121.223 0.063 0.000 2.362 114 L HA -0.025 4.315 4.340 -0.000 0.000 0.219 114 L C 0.289 177.183 176.870 0.040 0.000 1.134 114 L CA 0.795 55.663 54.840 0.047 0.000 0.807 114 L CB -0.314 41.765 42.059 0.033 0.000 0.927 114 L HN 0.476 nan 8.230 nan 0.000 0.447 115 L N -0.214 121.034 121.223 0.042 0.000 2.376 115 L HA 0.417 4.756 4.340 -0.000 0.000 0.275 115 L C -0.922 175.976 176.870 0.047 0.000 0.987 115 L CA -0.611 54.253 54.840 0.039 0.000 0.828 115 L CB 1.900 43.971 42.059 0.019 0.000 1.249 115 L HN -0.062 nan 8.230 nan 0.000 0.409 116 D N 1.131 121.570 120.400 0.065 0.000 2.569 116 D HA 0.173 4.812 4.640 -0.000 0.000 0.266 116 D C 0.618 176.914 176.300 -0.006 0.000 1.164 116 D CA -0.530 53.499 54.000 0.048 0.000 1.071 116 D CB 0.976 41.857 40.800 0.135 0.000 1.183 116 D HN 0.486 nan 8.370 nan 0.000 0.613 117 E N -0.550 119.588 120.200 -0.103 0.000 2.401 117 E HA -0.168 4.181 4.350 -0.000 0.000 0.199 117 E C 1.399 177.883 176.600 -0.193 0.000 1.023 117 E CA 0.892 57.195 56.400 -0.161 0.000 0.859 117 E CB -0.063 29.506 29.700 -0.220 0.000 0.780 117 E HN 0.363 nan 8.360 nan 0.000 0.523 118 H N 0.538 119.610 119.070 0.004 0.000 2.343 118 H HA -0.001 4.555 4.556 -0.000 0.000 0.303 118 H C 1.184 176.512 175.328 0.001 0.000 1.068 118 H CA 0.615 56.664 56.048 0.002 0.000 1.359 118 H CB -0.241 29.522 29.762 0.002 0.000 1.402 118 H HN 0.113 nan 8.280 nan 0.000 0.515 119 N N 2.165 120.936 118.700 0.118 0.000 2.483 119 N HA -0.090 4.650 4.740 -0.000 0.000 0.264 119 N C 0.790 176.318 175.510 0.030 0.000 1.197 119 N CA 0.281 53.366 53.050 0.058 0.000 0.927 119 N CB 1.110 39.623 38.487 0.042 0.000 1.065 119 N HN 0.356 nan 8.380 nan 0.000 0.461 120 E N 2.919 123.132 120.200 0.022 0.000 2.158 120 E HA -0.046 4.304 4.350 -0.000 0.000 0.191 120 E C 1.241 177.844 176.600 0.005 0.000 0.982 120 E CA 0.715 57.122 56.400 0.012 0.000 0.823 120 E CB 0.142 29.848 29.700 0.011 0.000 0.766 120 E HN 0.657 nan 8.360 nan 0.000 0.468 121 L N 0.307 121.531 121.223 0.003 0.000 2.622 121 L HA -0.031 4.309 4.340 -0.000 0.000 0.233 121 L C 2.135 179.004 176.870 -0.001 0.000 1.156 121 L CA 0.162 55.001 54.840 -0.002 0.000 0.866 121 L CB -0.119 41.935 42.059 -0.009 0.000 0.980 121 L HN 0.183 nan 8.230 nan 0.000 0.448 122 M N -0.522 119.080 119.600 0.003 0.000 2.615 122 M HA 0.068 4.547 4.480 -0.000 0.000 0.262 122 M C 2.132 178.436 176.300 0.006 0.000 1.198 122 M CA 1.271 56.574 55.300 0.006 0.000 1.165 122 M CB 0.059 32.665 32.600 0.010 0.000 1.310 122 M HN -0.075 nan 8.290 nan 0.000 0.494 123 R N -0.442 120.058 120.500 0.000 0.000 2.148 123 R HA -0.066 4.273 4.340 -0.000 0.000 0.227 123 R C 1.965 178.267 176.300 0.004 0.000 1.103 123 R CA 1.464 57.562 56.100 -0.003 0.000 0.983 123 R CB -0.260 30.035 30.300 -0.009 0.000 0.874 123 R HN 0.530 nan 8.270 nan 0.000 0.451 124 Q N -0.091 119.712 119.800 0.006 0.000 2.187 124 Q HA 0.019 4.359 4.340 -0.000 0.000 0.199 124 Q C 2.113 178.122 176.000 0.014 0.000 0.957 124 Q CA 1.246 57.054 55.803 0.009 0.000 0.857 124 Q CB 0.077 28.819 28.738 0.006 0.000 0.929 124 Q HN 0.331 nan 8.270 nan 0.000 0.453 125 A N 0.633 123.462 122.820 0.015 0.000 1.898 125 A HA -0.121 4.198 4.320 -0.000 0.000 0.216 125 A C 1.997 179.602 177.584 0.035 0.000 1.181 125 A CA 1.005 53.057 52.037 0.024 0.000 0.620 125 A CB -0.543 18.469 19.000 0.021 0.000 0.819 125 A HN 0.279 nan 8.150 nan 0.000 0.442 126 L N -0.734 120.507 121.223 0.029 0.000 2.093 126 L HA -0.115 4.224 4.340 -0.000 0.000 0.208 126 L C 2.945 179.834 176.870 0.031 0.000 1.085 126 L CA 0.930 55.790 54.840 0.034 0.000 0.755 126 L CB -0.395 41.676 42.059 0.020 0.000 0.904 126 L HN 0.401 nan 8.230 nan 0.000 0.435 127 A N -0.048 122.785 122.820 0.023 0.000 2.067 127 A HA -0.009 4.311 4.320 -0.000 0.000 0.219 127 A C 1.246 178.845 177.584 0.026 0.000 1.158 127 A CA 0.279 52.328 52.037 0.020 0.000 0.661 127 A CB -0.690 18.319 19.000 0.015 0.000 0.801 127 A HN 0.273 nan 8.150 nan 0.000 0.452 128 I N 0.519 121.108 120.570 0.031 0.000 2.741 128 I HA -0.099 4.070 4.170 -0.000 0.000 0.288 128 I C 1.261 177.401 176.117 0.038 0.000 1.192 128 I CA 0.309 61.629 61.300 0.034 0.000 1.426 128 I CB 0.633 38.657 38.000 0.040 0.000 1.367 128 I HN 0.265 nan 8.210 nan 0.000 0.563 129 K N 3.139 123.559 120.400 0.033 0.000 2.361 129 K HA -0.028 4.292 4.320 -0.000 0.000 0.196 129 K C 0.243 176.863 176.600 0.033 0.000 1.039 129 K CA 0.221 56.528 56.287 0.033 0.000 1.001 129 K CB 0.010 32.526 32.500 0.028 0.000 0.795 129 K HN 0.528 nan 8.250 nan 0.000 0.495 130 D N 1.511 121.931 120.400 0.033 0.000 2.398 130 D HA -0.019 4.620 4.640 -0.000 0.000 0.250 130 D C 1.024 177.348 176.300 0.041 0.000 1.287 130 D CA 0.007 54.026 54.000 0.031 0.000 0.992 130 D CB 0.645 41.462 40.800 0.029 0.000 1.071 130 D HN 0.092 nan 8.370 nan 0.000 0.514 131 S N 3.604 119.322 115.700 0.030 0.000 2.400 131 S HA -0.316 4.154 4.470 -0.000 0.000 0.234 131 S C 1.635 176.261 174.600 0.044 0.000 1.049 131 S CA 1.074 59.290 58.200 0.028 0.000 1.039 131 S CB -0.159 63.031 63.200 -0.016 0.000 0.856 131 S HN 0.504 nan 8.310 nan 0.000 0.465 132 K N 0.967 121.386 120.400 0.031 0.000 2.062 132 K HA 0.094 4.413 4.320 -0.000 0.000 0.205 132 K C 2.454 179.124 176.600 0.117 0.000 1.051 132 K CA 1.041 57.364 56.287 0.060 0.000 0.941 132 K CB -0.146 32.368 32.500 0.025 0.000 0.719 132 K HN 0.351 nan 8.250 nan 0.000 0.440 133 K N 0.662 121.113 120.400 0.084 0.000 2.155 133 K HA -0.075 4.244 4.320 -0.000 0.000 0.203 133 K C 2.206 178.862 176.600 0.093 0.000 1.052 133 K CA 0.571 56.906 56.287 0.080 0.000 0.948 133 K CB 0.046 32.575 32.500 0.047 0.000 0.728 133 K HN 0.081 nan 8.250 nan 0.000 0.448 134 R N 0.412 120.975 120.500 0.106 0.000 2.070 134 R HA -0.160 4.179 4.340 -0.000 0.000 0.232 134 R C 2.205 178.602 176.300 0.161 0.000 1.138 134 R CA 1.505 57.674 56.100 0.116 0.000 0.936 134 R CB -0.421 29.948 30.300 0.116 0.000 0.839 134 R HN 0.089 nan 8.270 nan 0.000 0.429 135 F N 1.320 121.305 119.950 0.058 0.000 2.154 135 F HA -0.228 4.299 4.527 -0.000 0.000 0.301 135 F C 2.046 177.925 175.800 0.133 0.000 1.087 135 F CA 1.596 59.645 58.000 0.081 0.000 1.274 135 F CB -0.559 38.453 39.000 0.021 0.000 1.009 135 F HN 0.164 nan 8.300 nan 0.000 0.485 136 A N 0.255 123.091 122.820 0.027 0.000 1.873 136 A HA 0.005 4.324 4.320 -0.000 0.000 0.215 136 A C 2.448 180.088 177.584 0.094 0.000 1.186 136 A CA 1.782 53.839 52.037 0.034 0.000 0.616 136 A CB -1.583 17.475 19.000 0.097 0.000 0.823 136 A HN 0.492 nan 8.150 nan 0.000 0.442 137 A N -0.185 122.675 122.820 0.067 0.000 1.933 137 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 137 A C 2.119 179.716 177.584 0.023 0.000 1.175 137 A CA 1.503 53.567 52.037 0.046 0.000 0.628 137 A CB -0.587 18.437 19.000 0.041 0.000 0.814 137 A HN 0.504 nan 8.150 nan 0.000 0.444 138 I N -2.564 118.021 120.570 0.025 0.000 2.202 138 I HA -0.246 3.923 4.170 -0.000 0.000 0.242 138 I C 2.417 178.530 176.117 -0.006 0.000 1.091 138 I CA 1.542 62.852 61.300 0.017 0.000 1.368 138 I CB -0.332 37.703 38.000 0.057 0.000 1.058 138 I HN 0.720 nan 8.210 nan 0.000 0.410 139 W N 2.010 123.141 121.300 -0.281 0.000 2.355 139 W HA -0.213 4.446 4.660 -0.000 0.000 0.309 139 W C 2.482 178.900 176.519 -0.169 0.000 1.206 139 W CA 2.132 59.296 57.345 -0.302 0.000 1.284 139 W CB -0.581 28.556 29.460 -0.538 0.000 1.145 139 W HN -0.011 nan 8.180 nan 0.000 0.502 140 T N 1.173 115.593 114.554 -0.224 0.000 2.929 140 T HA -0.199 4.150 4.350 -0.000 0.000 0.271 140 T C 1.611 176.132 174.700 -0.297 0.000 1.085 140 T CA 1.345 63.208 62.100 -0.396 0.000 1.125 140 T CB -0.410 68.377 68.868 -0.136 0.000 0.874 140 T HN 0.124 nan 8.240 nan 0.000 0.494 141 L N 0.045 121.155 121.223 -0.189 0.000 2.168 141 L HA 0.206 4.546 4.340 -0.000 0.000 0.203 141 L C 2.259 179.039 176.870 -0.151 0.000 1.078 141 L CA 1.197 55.957 54.840 -0.134 0.000 0.780 141 L CB -0.330 41.689 42.059 -0.066 0.000 0.939 141 L HN 0.240 nan 8.230 nan 0.000 0.451 142 C N -0.279 118.922 119.300 -0.164 0.000 2.533 142 C HA -0.006 4.453 4.460 -0.000 0.000 0.272 142 C C 2.512 177.393 174.990 -0.182 0.000 1.371 142 C CA 0.453 59.397 59.018 -0.124 0.000 1.758 142 C CB -0.790 26.924 27.740 -0.043 0.000 1.972 142 C HN 0.567 nan 8.230 nan 0.000 0.522 143 K N 0.633 120.820 120.400 -0.355 0.000 2.288 143 K HA -0.066 4.253 4.320 -0.000 0.000 0.201 143 K C 1.458 177.908 176.600 -0.251 0.000 1.048 143 K CA 1.547 57.615 56.287 -0.365 0.000 0.956 143 K CB -0.579 31.511 32.500 -0.684 0.000 0.746 143 K HN 0.295 nan 8.250 nan 0.000 0.461 144 T N 1.252 115.672 114.554 -0.224 0.000 2.652 144 T HA -0.081 4.269 4.350 -0.000 0.000 0.267 144 T C 0.630 175.265 174.700 -0.109 0.000 1.039 144 T CA 1.031 63.042 62.100 -0.149 0.000 1.153 144 T CB -0.076 68.717 68.868 -0.125 0.000 0.863 144 T HN 0.141 nan 8.240 nan 0.000 0.428 145 K N 1.360 121.703 120.400 -0.095 0.000 2.524 145 K HA 0.116 4.435 4.320 -0.000 0.000 0.279 145 K C 0.317 176.876 176.600 -0.068 0.000 0.993 145 K CA 0.661 56.910 56.287 -0.064 0.000 1.030 145 K CB 0.386 32.860 32.500 -0.043 0.000 0.891 145 K HN 0.346 nan 8.250 nan 0.000 0.488 146 M N 1.197 120.764 119.600 -0.054 0.000 2.414 146 M HA 0.093 4.573 4.480 -0.000 0.000 0.393 146 M C -0.911 175.372 176.300 -0.028 0.000 1.055 146 M CA -0.080 55.183 55.300 -0.062 0.000 0.937 146 M CB 1.163 33.716 32.600 -0.078 0.000 1.631 146 M HN 0.020 nan 8.290 nan 0.000 0.567 147 V N 0.130 120.037 119.914 -0.012 0.000 2.447 147 V HA 0.213 4.333 4.120 -0.000 0.000 0.292 147 V C -0.479 175.622 176.094 0.011 0.000 1.021 147 V CA -1.244 61.060 62.300 0.006 0.000 0.850 147 V CB 1.751 33.576 31.823 0.003 0.000 1.005 147 V HN 0.339 nan 8.190 nan 0.000 0.426 148 C N 5.519 124.833 119.300 0.024 0.000 2.612 148 C HA 0.234 4.694 4.460 -0.000 0.000 0.403 148 C C 1.049 176.051 174.990 0.021 0.000 1.056 148 C CA -0.334 58.703 59.018 0.030 0.000 1.256 148 C CB -1.855 25.915 27.740 0.049 0.000 1.741 148 C HN 0.935 nan 8.230 nan 0.000 0.542 149 E N 2.558 122.766 120.200 0.013 0.000 2.481 149 E HA -0.008 4.342 4.350 -0.000 0.000 0.263 149 E C 1.245 177.845 176.600 -0.001 0.000 0.992 149 E CA 0.561 56.962 56.400 0.003 0.000 0.938 149 E CB 0.753 30.452 29.700 -0.002 0.000 0.933 149 E HN 0.685 nan 8.360 nan 0.000 0.453 150 T N 1.690 116.238 114.554 -0.010 0.000 2.983 150 T HA 0.003 4.353 4.350 -0.000 0.000 0.250 150 T C -0.167 174.515 174.700 -0.030 0.000 1.037 150 T CA 0.453 62.545 62.100 -0.014 0.000 1.142 150 T CB 0.283 69.143 68.868 -0.012 0.000 0.876 150 T HN 0.403 nan 8.240 nan 0.000 0.455 151 D N 1.248 121.625 120.400 -0.037 0.000 2.696 151 D HA 0.496 5.135 4.640 -0.000 0.000 0.251 151 D C -1.301 174.960 176.300 -0.065 0.000 1.188 151 D CA -0.232 53.734 54.000 -0.057 0.000 0.876 151 D CB 2.946 43.720 40.800 -0.044 0.000 1.334 151 D HN -0.012 nan 8.370 nan 0.000 0.540 152 V N 3.245 123.095 119.914 -0.107 0.000 2.448 152 V HA 0.285 4.404 4.120 -0.000 0.000 0.295 152 V C -2.226 173.810 176.094 -0.097 0.000 1.025 152 V CA -1.942 60.300 62.300 -0.096 0.000 0.859 152 V CB 2.064 33.822 31.823 -0.109 0.000 0.988 152 V HN 0.329 nan 8.190 nan 0.000 0.431 153 P HA -0.008 nan 4.420 nan 0.000 0.255 153 P C 0.372 177.661 177.300 -0.019 0.000 1.161 153 P CA 0.529 63.612 63.100 -0.029 0.000 0.768 153 P CB 0.199 31.893 31.700 -0.011 0.000 0.746 154 S N 3.048 118.735 115.700 -0.021 0.000 2.587 154 S HA 0.048 4.518 4.470 -0.000 0.000 0.252 154 S C 0.963 175.592 174.600 0.050 0.000 1.282 154 S CA -0.283 57.927 58.200 0.016 0.000 0.977 154 S CB 0.031 63.236 63.200 0.007 0.000 1.015 154 S HN 0.437 nan 8.310 nan 0.000 0.557 155 E N 0.958 121.198 120.200 0.067 0.000 2.463 155 E HA 0.118 4.468 4.350 -0.000 0.000 0.191 155 E C -0.243 176.374 176.600 0.029 0.000 1.083 155 E CA 0.132 56.562 56.400 0.049 0.000 0.872 155 E CB -0.091 29.640 29.700 0.051 0.000 0.966 155 E HN 0.466 nan 8.360 nan 0.000 0.491 156 D N 0.531 120.944 120.400 0.022 0.000 3.604 156 D HA 0.068 4.708 4.640 -0.000 0.000 0.181 156 D C -0.337 175.968 176.300 0.008 0.000 1.161 156 D CA -0.403 53.605 54.000 0.013 0.000 1.302 156 D CB -0.330 40.477 40.800 0.011 0.000 1.058 156 D HN -0.116 nan 8.370 nan 0.000 0.348 157 D N 2.163 122.566 120.400 0.004 0.000 2.389 157 D HA 0.136 4.776 4.640 -0.000 0.000 0.247 157 D C -1.571 174.728 176.300 -0.002 0.000 1.128 157 D CA -1.038 52.962 54.000 0.001 0.000 0.884 157 D CB 0.845 41.645 40.800 -0.000 0.000 1.194 157 D HN 0.023 nan 8.370 nan 0.000 0.441 158 P HA -0.140 nan 4.420 nan 0.000 0.226 158 P C 0.880 178.175 177.300 -0.008 0.000 1.153 158 P CA 0.891 63.988 63.100 -0.005 0.000 0.777 158 P CB 0.039 31.737 31.700 -0.004 0.000 0.794 159 T N -0.782 113.768 114.554 -0.006 0.000 2.720 159 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 159 T C 1.130 175.824 174.700 -0.010 0.000 1.037 159 T CA 1.137 63.233 62.100 -0.007 0.000 1.144 159 T CB -0.606 68.259 68.868 -0.005 0.000 0.864 159 T HN 0.304 nan 8.240 nan 0.000 0.444 160 Q N 1.160 120.954 119.800 -0.010 0.000 2.349 160 Q HA 0.457 4.796 4.340 -0.000 0.000 0.254 160 Q C -0.750 175.236 176.000 -0.024 0.000 0.980 160 Q CA -0.251 55.544 55.803 -0.014 0.000 0.924 160 Q CB 0.935 29.667 28.738 -0.010 0.000 1.209 160 Q HN 0.453 nan 8.270 nan 0.000 0.445 161 L N 2.002 123.207 121.223 -0.031 0.000 2.421 161 L HA 0.480 4.820 4.340 -0.000 0.000 0.263 161 L C -0.136 176.694 176.870 -0.067 0.000 1.122 161 L CA -0.680 54.130 54.840 -0.048 0.000 0.804 161 L CB 1.129 43.161 42.059 -0.043 0.000 1.150 161 L HN 0.264 nan 8.230 nan 0.000 0.457 162 V N 0.813 120.658 119.914 -0.115 0.000 2.656 162 V HA 0.311 4.431 4.120 -0.000 0.000 0.307 162 V C 0.016 175.998 176.094 -0.186 0.000 1.051 162 V CA -0.580 61.627 62.300 -0.155 0.000 0.893 162 V CB 2.390 34.085 31.823 -0.212 0.000 0.999 162 V HN 0.948 nan 8.190 nan 0.000 0.426 163 S N 6.285 121.912 115.700 -0.121 0.000 2.600 163 S HA 0.665 5.135 4.470 -0.000 0.000 0.265 163 S C -0.050 174.491 174.600 -0.098 0.000 1.325 163 S CA -0.418 57.730 58.200 -0.086 0.000 1.002 163 S CB 1.133 64.309 63.200 -0.039 0.000 0.921 163 S HN 0.904 nan 8.310 nan 0.000 0.554 164 R N 0.502 120.975 120.500 -0.045 0.000 3.589 164 R HA 0.622 4.962 4.340 -0.000 0.000 0.210 164 R C 0.374 176.687 176.300 0.021 0.000 1.086 164 R CA -0.761 55.345 56.100 0.009 0.000 0.806 164 R CB -0.376 29.939 30.300 0.026 0.000 1.400 164 R HN 0.716 nan 8.270 nan 0.000 0.412 165 G N 0.370 109.191 108.800 0.035 0.000 2.272 165 G HA2 0.285 4.245 3.960 -0.000 0.000 0.274 165 G HA3 0.285 4.245 3.960 -0.000 0.000 0.274 165 G C 0.439 175.353 174.900 0.023 0.000 1.136 165 G CA 0.092 45.212 45.100 0.032 0.000 1.098 165 G HN 0.650 nan 8.290 nan 0.000 0.425 166 G N 0.992 109.803 108.800 0.018 0.000 3.090 166 G HA2 0.295 4.255 3.960 -0.000 0.000 0.259 166 G HA3 0.295 4.255 3.960 -0.000 0.000 0.259 166 G C 0.141 175.050 174.900 0.016 0.000 0.797 166 G CA -0.043 45.064 45.100 0.012 0.000 2.032 166 G HN 0.879 nan 8.290 nan 0.000 0.614 167 C N 1.286 120.598 119.300 0.020 0.000 2.571 167 C HA 0.654 5.114 4.460 -0.000 0.000 0.343 167 C C 1.394 176.388 174.990 0.008 0.000 1.082 167 C CA -0.060 58.970 59.018 0.020 0.000 1.339 167 C CB 0.678 28.453 27.740 0.059 0.000 1.893 167 C HN 0.456 nan 8.230 nan 0.000 0.445 168 G N 4.325 113.117 108.800 -0.013 0.000 2.985 168 G HA2 0.065 4.025 3.960 -0.000 0.000 0.209 168 G HA3 0.065 4.025 3.960 -0.000 0.000 0.209 168 G C 0.423 175.318 174.900 -0.009 0.000 1.165 168 G CA -0.020 45.074 45.100 -0.010 0.000 0.776 168 G HN 0.779 nan 8.290 nan 0.000 0.541 169 N N 1.337 120.020 118.700 -0.030 0.000 2.441 169 N HA 0.073 4.812 4.740 -0.000 0.000 0.251 169 N C 0.269 175.816 175.510 0.061 0.000 1.242 169 N CA 0.468 53.508 53.050 -0.016 0.000 0.898 169 N CB 0.519 38.938 38.487 -0.114 0.000 1.100 169 N HN -0.099 nan 8.380 nan 0.000 0.443 170 T N 2.035 116.658 114.554 0.116 0.000 2.918 170 T HA 0.092 4.441 4.350 -0.000 0.000 0.302 170 T C 0.625 175.431 174.700 0.175 0.000 1.045 170 T CA -0.239 61.946 62.100 0.141 0.000 1.114 170 T CB 0.496 69.472 68.868 0.181 0.000 0.965 170 T HN 0.275 nan 8.240 nan 0.000 0.540 171 Q N 2.940 122.734 119.800 -0.010 0.000 2.227 171 Q HA 0.359 4.698 4.340 -0.000 0.000 0.245 171 Q C -2.222 173.416 176.000 -0.603 0.000 0.926 171 Q CA -2.092 53.602 55.803 -0.181 0.000 0.895 171 Q CB 0.891 29.556 28.738 -0.121 0.000 1.230 171 Q HN 0.404 nan 8.270 nan 0.000 0.450 172 P HA 0.055 nan 4.420 nan 0.000 0.277 172 P C -0.835 176.148 177.300 -0.528 0.000 1.240 172 P CA -0.351 62.009 63.100 -1.234 0.000 0.798 172 P CB 0.802 31.425 31.700 -1.794 0.000 0.979 173 T N 3.180 117.525 114.554 -0.349 0.000 2.729 173 T HA 0.353 4.703 4.350 -0.000 0.000 0.296 173 T C 0.518 175.133 174.700 -0.142 0.000 0.928 173 T CA -0.022 61.969 62.100 -0.182 0.000 1.045 173 T CB -0.478 68.323 68.868 -0.113 0.000 0.902 173 T HN 0.201 nan 8.240 nan 0.000 0.500 174 I N 5.188 125.708 120.570 -0.084 0.000 2.304 174 I HA 0.386 4.556 4.170 -0.000 0.000 0.291 174 I C 0.732 176.863 176.117 0.024 0.000 1.018 174 I CA -0.661 60.622 61.300 -0.028 0.000 1.260 174 I CB 0.619 38.621 38.000 0.004 0.000 1.390 174 I HN 0.559 nan 8.210 nan 0.000 0.475 175 R N 5.367 125.888 120.500 0.034 0.000 2.828 175 R HA 0.681 5.021 4.340 -0.000 0.000 0.264 175 R C -0.900 175.438 176.300 0.063 0.000 1.022 175 R CA -1.100 55.030 56.100 0.050 0.000 1.021 175 R CB 1.643 31.970 30.300 0.044 0.000 1.163 175 R HN 0.370 nan 8.270 nan 0.000 0.494 176 K N 0.192 120.629 120.400 0.061 0.000 2.118 176 K HA 0.207 4.527 4.320 -0.000 0.000 0.254 176 K C -1.145 175.501 176.600 0.077 0.000 0.961 176 K CA -0.674 55.654 56.287 0.069 0.000 0.876 176 K CB 1.268 33.797 32.500 0.047 0.000 1.077 176 K HN 0.615 nan 8.250 nan 0.000 0.440 177 D N 2.696 123.154 120.400 0.096 0.000 2.468 177 D HA 0.216 4.856 4.640 -0.000 0.000 0.272 177 D C 0.482 176.848 176.300 0.110 0.000 1.221 177 D CA 0.523 54.580 54.000 0.095 0.000 0.860 177 D CB 1.034 41.891 40.800 0.096 0.000 1.190 177 D HN 0.861 nan 8.370 nan 0.000 0.509 178 G N 1.520 110.379 108.800 0.098 0.000 4.230 178 G HA2 -0.368 3.591 3.960 -0.000 0.000 0.340 178 G HA3 -0.368 3.591 3.960 -0.000 0.000 0.340 178 G C 0.894 175.876 174.900 0.136 0.000 1.315 178 G CA 0.799 45.966 45.100 0.111 0.000 1.033 178 G HN 0.458 nan 8.290 nan 0.000 0.741 179 L N 0.527 121.857 121.223 0.180 0.000 2.701 179 L HA 0.401 4.741 4.340 -0.000 0.000 0.238 179 L C 0.979 178.040 176.870 0.319 0.000 1.106 179 L CA 0.068 55.054 54.840 0.243 0.000 0.898 179 L CB 0.434 42.631 42.059 0.230 0.000 1.188 179 L HN 0.120 nan 8.230 nan 0.000 0.508 180 K N 1.635 122.180 120.400 0.243 0.000 2.213 180 K HA 0.506 4.826 4.320 -0.000 0.000 0.270 180 K C -0.805 175.949 176.600 0.257 0.000 1.002 180 K CA -0.376 56.060 56.287 0.250 0.000 0.868 180 K CB 1.779 34.378 32.500 0.164 0.000 1.093 180 K HN 0.003 nan 8.250 nan 0.000 0.454 181 L N 3.967 125.400 121.223 0.351 0.000 2.290 181 L HA 0.294 4.634 4.340 -0.000 0.000 0.284 181 L C -0.455 176.530 176.870 0.193 0.000 1.078 181 L CA -0.885 54.099 54.840 0.240 0.000 0.815 181 L CB 1.166 43.378 42.059 0.256 0.000 1.162 181 L HN 0.277 nan 8.230 nan 0.000 0.435 182 V N 2.460 122.459 119.914 0.141 0.000 2.398 182 V HA 0.586 4.706 4.120 -0.000 0.000 0.286 182 V C 0.545 176.703 176.094 0.106 0.000 1.026 182 V CA -0.557 61.823 62.300 0.134 0.000 0.868 182 V CB 1.495 33.387 31.823 0.115 0.000 0.982 182 V HN 0.862 nan 8.190 nan 0.000 0.443 183 G N 2.668 111.559 108.800 0.152 0.000 2.415 183 G HA2 0.631 4.590 3.960 -0.000 0.000 0.327 183 G HA3 0.631 4.590 3.960 -0.000 0.000 0.327 183 G C -0.405 174.584 174.900 0.148 0.000 1.182 183 G CA -0.432 44.684 45.100 0.026 0.000 0.924 183 G HN 0.875 nan 8.290 nan 0.000 0.470 184 S N 1.637 117.304 115.700 -0.054 0.000 2.647 184 S HA 0.565 5.035 4.470 -0.000 0.000 0.300 184 S C -0.482 174.146 174.600 0.046 0.000 1.129 184 S CA -0.967 57.322 58.200 0.148 0.000 1.029 184 S CB 1.318 64.576 63.200 0.097 0.000 1.007 184 S HN 0.642 nan 8.310 nan 0.000 0.484 185 W N 1.910 123.223 121.300 0.021 0.000 2.181 185 W HA 0.651 5.311 4.660 -0.001 0.000 0.415 185 W C 0.401 176.925 176.519 0.008 0.000 1.689 185 W CA -0.937 56.416 57.345 0.015 0.000 1.859 185 W CB 1.129 30.596 29.460 0.012 0.000 1.425 185 W HN 0.695 nan 8.180 nan 0.000 0.713 186 K N 0.250 120.803 120.400 0.255 0.000 2.688 186 K HA 0.009 4.329 4.320 -0.000 0.000 0.270 186 K C -0.821 175.845 176.600 0.109 0.000 1.013 186 K CA -0.557 55.810 56.287 0.134 0.000 0.924 186 K CB 1.101 33.645 32.500 0.074 0.000 1.378 186 K HN 0.284 nan 8.250 nan 0.000 0.402 187 K N 3.032 123.478 120.400 0.077 0.000 3.165 187 K HA 0.115 4.435 4.320 -0.000 0.000 0.259 187 K C -1.119 175.501 176.600 0.033 0.000 1.282 187 K CA -0.001 56.318 56.287 0.054 0.000 1.259 187 K CB -0.209 32.314 32.500 0.039 0.000 1.546 187 K HN 0.554 nan 8.250 nan 0.000 0.384 188 D N 0.295 120.713 120.400 0.030 0.000 10.563 188 D HA -0.130 4.510 4.640 -0.000 0.000 0.336 188 D C -0.552 175.756 176.300 0.014 0.000 3.150 188 D CA 0.065 54.075 54.000 0.015 0.000 2.684 188 D CB 0.151 40.957 40.800 0.010 0.000 1.263 188 D HN 0.266 nan 8.370 nan 0.000 0.952 189 R N 0.975 121.478 120.500 0.005 0.000 2.612 189 R HA 0.478 4.817 4.340 -0.000 0.000 0.273 189 R C 0.847 177.150 176.300 0.004 0.000 1.376 189 R CA 0.875 56.977 56.100 0.004 0.000 1.171 189 R CB -0.106 30.192 30.300 -0.004 0.000 1.151 189 R HN 0.592 nan 8.270 nan 0.000 0.560 190 A N 1.138 123.963 122.820 0.008 0.000 3.410 190 A HA -0.168 4.151 4.320 -0.000 0.000 0.253 190 A C 0.618 178.206 177.584 0.006 0.000 1.178 190 A CA 0.922 52.964 52.037 0.007 0.000 1.334 190 A CB -1.836 17.167 19.000 0.005 0.000 1.097 190 A HN 0.560 nan 8.150 nan 0.000 0.921 191 T N 1.105 115.663 114.554 0.007 0.000 2.932 191 T HA 0.440 4.790 4.350 -0.000 0.000 0.312 191 T C 1.121 175.824 174.700 0.006 0.000 1.071 191 T CA 0.464 62.568 62.100 0.005 0.000 1.128 191 T CB 1.023 69.895 68.868 0.005 0.000 0.984 191 T HN 1.598 nan 8.240 nan 0.000 0.549 192 G N 0.901 109.704 108.800 0.005 0.000 2.353 192 G HA2 0.272 4.232 3.960 -0.000 0.000 0.239 192 G HA3 0.272 4.232 3.960 -0.000 0.000 0.239 192 G C -0.034 174.869 174.900 0.005 0.000 1.295 192 G CA -0.614 44.488 45.100 0.004 0.000 0.884 192 G HN 0.889 nan 8.290 nan 0.000 0.537 193 D N -0.279 120.124 120.400 0.005 0.000 2.800 193 D HA -0.111 4.528 4.640 -0.000 0.000 0.232 193 D C 0.914 177.218 176.300 0.007 0.000 1.137 193 D CA 1.702 55.704 54.000 0.005 0.000 0.718 193 D CB -1.300 39.501 40.800 0.002 0.000 1.084 193 D HN 0.972 nan 8.370 nan 0.000 0.432 194 A N -0.675 122.152 122.820 0.012 0.000 2.653 194 A HA 0.134 4.453 4.320 -0.000 0.000 0.231 194 A C 0.325 177.924 177.584 0.024 0.000 1.146 194 A CA -0.440 51.608 52.037 0.018 0.000 1.024 194 A CB 0.711 19.722 19.000 0.018 0.000 1.202 194 A HN 0.159 nan 8.150 nan 0.000 0.543 195 D N 0.833 121.245 120.400 0.020 0.000 2.398 195 D HA 0.307 4.946 4.640 -0.000 0.000 0.247 195 D C 0.060 176.377 176.300 0.028 0.000 1.227 195 D CA 0.420 54.433 54.000 0.022 0.000 0.980 195 D CB 0.440 41.249 40.800 0.016 0.000 1.106 195 D HN 0.431 nan 8.370 nan 0.000 0.493 196 E N 0.306 120.524 120.200 0.030 0.000 7.284 196 E HA -0.126 4.224 4.350 -0.000 0.000 0.335 196 E C -2.480 174.153 176.600 0.055 0.000 0.856 196 E CA -0.619 55.803 56.400 0.036 0.000 1.267 196 E CB 0.020 29.737 29.700 0.029 0.000 0.931 196 E HN 0.118 nan 8.360 nan 0.000 0.275 197 P HA 0.040 nan 4.420 nan 0.000 0.270 197 P C -0.785 176.585 177.300 0.117 0.000 1.223 197 P CA 0.352 63.515 63.100 0.104 0.000 0.785 197 P CB 0.519 32.272 31.700 0.089 0.000 0.923 198 E N 0.966 121.274 120.200 0.181 0.000 2.121 198 E HA 0.276 4.626 4.350 -0.000 0.000 0.255 198 E C -0.583 176.158 176.600 0.235 0.000 0.906 198 E CA -0.511 55.981 56.400 0.153 0.000 0.745 198 E CB 0.325 30.070 29.700 0.075 0.000 1.155 198 E HN 0.340 nan 8.360 nan 0.000 0.424 199 L N 4.558 125.881 121.223 0.167 0.000 2.456 199 L HA 0.248 4.588 4.340 -0.000 0.000 0.277 199 L C 0.517 177.488 176.870 0.167 0.000 1.124 199 L CA 0.232 55.179 54.840 0.178 0.000 0.880 199 L CB -0.250 41.877 42.059 0.114 0.000 1.192 199 L HN 0.342 nan 8.230 nan 0.000 0.463 200 R N 2.931 123.580 120.500 0.248 0.000 2.628 200 R HA 0.561 4.901 4.340 -0.000 0.000 0.288 200 R C -1.404 175.030 176.300 0.222 0.000 0.980 200 R CA -0.829 55.380 56.100 0.181 0.000 0.891 200 R CB 1.866 32.219 30.300 0.088 0.000 1.188 200 R HN 0.274 nan 8.270 nan 0.000 0.450 201 V N 5.363 125.370 119.914 0.155 0.000 2.421 201 V HA 0.085 4.205 4.120 -0.000 0.000 0.271 201 V C 0.842 177.034 176.094 0.163 0.000 1.031 201 V CA -0.192 62.201 62.300 0.155 0.000 1.032 201 V CB 0.562 32.458 31.823 0.121 0.000 1.009 201 V HN 0.640 nan 8.190 nan 0.000 0.477 202 L N 6.021 127.367 121.223 0.205 0.000 2.600 202 L HA 0.098 4.437 4.340 -0.000 0.000 0.278 202 L C 1.109 178.061 176.870 0.136 0.000 1.139 202 L CA 0.309 55.270 54.840 0.201 0.000 0.933 202 L CB 0.315 42.510 42.059 0.227 0.000 1.266 202 L HN 0.895 nan 8.230 nan 0.000 0.471 203 S N 1.158 116.893 115.700 0.059 0.000 2.603 203 S HA 0.127 4.597 4.470 -0.000 0.000 0.268 203 S C 1.305 175.825 174.600 -0.133 0.000 1.317 203 S CA -0.365 57.808 58.200 -0.045 0.000 1.012 203 S CB 1.417 64.598 63.200 -0.032 0.000 0.926 203 S HN 0.628 nan 8.310 nan 0.000 0.539 204 T N 1.156 115.512 114.554 -0.331 0.000 2.759 204 T HA -0.141 4.209 4.350 -0.000 0.000 0.269 204 T C 1.539 176.134 174.700 -0.175 0.000 1.042 204 T CA 1.765 63.609 62.100 -0.427 0.000 1.140 204 T CB -0.563 68.002 68.868 -0.504 0.000 0.864 204 T HN 0.833 nan 8.240 nan 0.000 0.455 205 E N 0.846 120.977 120.200 -0.115 0.000 2.153 205 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 205 E C 2.189 178.765 176.600 -0.039 0.000 0.988 205 E CA 0.950 57.315 56.400 -0.058 0.000 0.811 205 E CB 0.074 29.752 29.700 -0.037 0.000 0.746 205 E HN 0.627 nan 8.360 nan 0.000 0.466 206 E N 0.341 120.521 120.200 -0.034 0.000 2.028 206 E HA -0.162 4.188 4.350 -0.000 0.000 0.190 206 E C 2.226 178.801 176.600 -0.041 0.000 0.984 206 E CA 0.839 57.234 56.400 -0.008 0.000 0.800 206 E CB -0.063 29.659 29.700 0.036 0.000 0.758 206 E HN 0.311 nan 8.360 nan 0.000 0.448 207 I N 1.744 122.261 120.570 -0.089 0.000 2.163 207 I HA -0.262 3.907 4.170 -0.000 0.000 0.243 207 I C 2.691 178.546 176.117 -0.437 0.000 1.085 207 I CA 1.128 62.257 61.300 -0.284 0.000 1.347 207 I CB -1.146 36.700 38.000 -0.257 0.000 1.044 207 I HN 0.180 nan 8.210 nan 0.000 0.408 208 L N 0.987 122.074 121.223 -0.228 0.000 2.013 208 L HA -0.268 4.072 4.340 -0.000 0.000 0.212 208 L C 2.400 179.268 176.870 -0.003 0.000 1.073 208 L CA 1.743 56.535 54.840 -0.079 0.000 0.753 208 L CB -0.357 41.701 42.059 -0.002 0.000 0.890 208 L HN 0.339 nan 8.230 nan 0.000 0.432 209 N N -0.030 118.665 118.700 -0.008 0.000 2.309 209 N HA -0.127 4.613 4.740 -0.000 0.000 0.182 209 N C 1.768 177.345 175.510 0.112 0.000 1.018 209 N CA 1.301 54.373 53.050 0.037 0.000 0.876 209 N CB -0.133 38.378 38.487 0.040 0.000 0.972 209 N HN 0.429 nan 8.380 nan 0.000 0.434 210 I N -0.037 120.582 120.570 0.081 0.000 2.353 210 I HA -0.179 3.990 4.170 -0.000 0.000 0.248 210 I C 1.680 177.961 176.117 0.274 0.000 1.119 210 I CA 0.589 61.984 61.300 0.158 0.000 1.417 210 I CB -0.156 37.897 38.000 0.088 0.000 1.078 210 I HN -0.069 nan 8.210 nan 0.000 0.421 211 F N 1.648 121.613 119.950 0.025 0.000 2.134 211 F HA -0.170 4.357 4.527 -0.000 0.000 0.299 211 F C 2.418 178.170 175.800 -0.080 0.000 1.097 211 F CA 1.245 59.208 58.000 -0.062 0.000 1.264 211 F CB -0.970 37.960 39.000 -0.117 0.000 1.001 211 F HN 0.000 nan 8.300 nan 0.000 0.479 212 K N -1.030 119.448 120.400 0.129 0.000 2.147 212 K HA -0.168 4.152 4.320 -0.000 0.000 0.205 212 K C 1.701 178.275 176.600 -0.043 0.000 1.049 212 K CA 1.043 57.321 56.287 -0.014 0.000 0.936 212 K CB -0.220 32.233 32.500 -0.078 0.000 0.722 212 K HN 0.263 nan 8.250 nan 0.000 0.446 213 H N 0.083 119.198 119.070 0.075 0.000 2.547 213 H HA 0.109 4.664 4.556 -0.000 0.000 0.266 213 H C 0.233 175.603 175.328 0.070 0.000 0.988 213 H CA 0.358 56.442 56.048 0.060 0.000 1.147 213 H CB -0.000 29.790 29.762 0.046 0.000 1.365 213 H HN 0.091 nan 8.280 nan 0.000 0.589 214 I N 2.437 123.122 120.570 0.192 0.000 2.471 214 I HA -0.037 4.133 4.170 -0.000 0.000 0.286 214 I C 0.956 177.145 176.117 0.121 0.000 1.079 214 I CA -0.253 61.141 61.300 0.156 0.000 1.398 214 I CB 0.807 38.896 38.000 0.147 0.000 1.403 214 I HN 0.062 nan 8.210 nan 0.000 0.530 215 S N 4.909 120.608 115.700 -0.002 0.000 2.579 215 S HA 0.129 4.598 4.470 -0.000 0.000 0.275 215 S C 1.241 175.534 174.600 -0.511 0.000 1.345 215 S CA -0.958 57.161 58.200 -0.136 0.000 1.031 215 S CB 1.550 64.688 63.200 -0.104 0.000 0.892 215 S HN 0.427 nan 8.310 nan 0.000 0.529 216 V N 2.638 122.210 119.914 -0.571 0.000 2.439 216 V HA -0.241 3.879 4.120 -0.000 0.000 0.253 216 V C 2.524 178.129 176.094 -0.815 0.000 1.074 216 V CA 2.225 63.958 62.300 -0.945 0.000 1.076 216 V CB -1.199 30.397 31.823 -0.379 0.000 0.664 216 V HN 0.881 nan 8.190 nan 0.000 0.461 217 K N -0.304 119.834 120.400 -0.436 0.000 2.031 217 K HA -0.124 4.195 4.320 -0.000 0.000 0.205 217 K C 2.002 178.467 176.600 -0.226 0.000 1.049 217 K CA 1.480 57.611 56.287 -0.261 0.000 0.939 217 K CB -0.356 32.056 32.500 -0.146 0.000 0.717 217 K HN 0.445 nan 8.250 nan 0.000 0.438 218 D N 1.048 121.324 120.400 -0.206 0.000 2.084 218 D HA -0.150 4.489 4.640 -0.000 0.000 0.194 218 D C 1.885 178.184 176.300 -0.002 0.000 0.990 218 D CA 1.321 55.278 54.000 -0.072 0.000 0.826 218 D CB -0.195 40.594 40.800 -0.018 0.000 0.971 218 D HN 0.231 nan 8.370 nan 0.000 0.453 219 F N 0.676 120.606 119.950 -0.033 0.000 2.558 219 F HA 0.130 4.657 4.527 -0.000 0.000 0.298 219 F C 2.069 177.904 175.800 0.058 0.000 1.119 219 F CA 0.578 58.546 58.000 -0.053 0.000 1.451 219 F CB -1.115 37.722 39.000 -0.273 0.000 1.091 219 F HN -0.271 nan 8.300 nan 0.000 0.563 220 T N 0.246 114.839 114.554 0.064 0.000 2.985 220 T HA -0.113 4.237 4.350 -0.000 0.000 0.266 220 T C 2.122 176.894 174.700 0.120 0.000 1.076 220 T CA 1.540 63.722 62.100 0.136 0.000 1.135 220 T CB -0.444 68.402 68.868 -0.037 0.000 0.890 220 T HN 0.552 nan 8.240 nan 0.000 0.480 221 S N 0.465 116.216 115.700 0.086 0.000 2.555 221 S HA 0.172 4.641 4.470 -0.000 0.000 0.230 221 S C 0.788 175.497 174.600 0.182 0.000 0.978 221 S CA 0.018 58.279 58.200 0.102 0.000 0.934 221 S CB -0.513 62.726 63.200 0.065 0.000 0.766 221 S HN 0.372 nan 8.310 nan 0.000 0.533 222 L N -0.216 121.166 121.223 0.264 0.000 2.569 222 L HA 0.572 4.911 4.340 -0.000 0.000 0.247 222 L C 2.102 179.083 176.870 0.186 0.000 1.135 222 L CA -0.505 54.547 54.840 0.353 0.000 0.812 222 L CB -0.169 42.203 42.059 0.522 0.000 1.431 222 L HN 0.185 nan 8.230 nan 0.000 0.499 223 G N -0.431 108.328 108.800 -0.068 0.000 2.501 223 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.220 223 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.220 223 G C 0.425 175.192 174.900 -0.222 0.000 1.114 223 G CA 0.149 45.100 45.100 -0.248 0.000 0.757 223 G HN 0.195 nan 8.290 nan 0.000 0.559 224 F N 0.293 120.198 119.950 -0.074 0.000 2.459 224 F HA 0.223 4.750 4.527 -0.001 0.000 0.346 224 F C 0.784 176.619 175.800 0.058 0.000 1.128 224 F CA -0.579 57.356 58.000 -0.108 0.000 1.268 224 F CB 0.630 39.446 39.000 -0.305 0.000 1.161 224 F HN -0.079 nan 8.300 nan 0.000 0.583 225 N N 2.514 121.320 118.700 0.177 0.000 2.501 225 N HA 0.022 4.762 4.740 -0.000 0.000 0.245 225 N C 0.955 176.569 175.510 0.173 0.000 0.974 225 N CA -0.067 53.113 53.050 0.217 0.000 0.941 225 N CB 0.829 39.478 38.487 0.270 0.000 1.122 225 N HN 0.880 nan 8.380 nan 0.000 0.507 226 E N 2.587 123.003 120.200 0.361 0.000 2.277 226 E HA -0.264 4.085 4.350 -0.000 0.000 0.216 226 E C 0.270 176.906 176.600 0.060 0.000 1.068 226 E CA 2.010 58.586 56.400 0.293 0.000 0.866 226 E CB 0.350 30.143 29.700 0.155 0.000 0.749 226 E HN 0.460 nan 8.360 nan 0.000 0.465 227 V N -1.474 118.429 119.914 -0.018 0.000 3.048 227 V HA 0.055 4.174 4.120 -0.000 0.000 0.241 227 V C 1.518 177.553 176.094 -0.097 0.000 1.129 227 V CA 0.913 63.100 62.300 -0.188 0.000 1.128 227 V CB -0.164 31.282 31.823 -0.628 0.000 0.849 227 V HN 0.229 nan 8.190 nan 0.000 0.475 228 F N 0.991 121.093 119.950 0.254 0.000 2.559 228 F HA 0.219 4.746 4.527 -0.001 0.000 0.286 228 F C 0.957 177.000 175.800 0.405 0.000 1.108 228 F CA 0.597 58.752 58.000 0.258 0.000 1.436 228 F CB 0.537 39.598 39.000 0.103 0.000 1.130 228 F HN 0.162 nan 8.300 nan 0.000 0.584 229 S N 0.353 116.281 115.700 0.380 0.000 2.571 229 S HA 0.502 4.971 4.470 -0.000 0.000 0.238 229 S C -0.760 173.685 174.600 -0.259 0.000 1.153 229 S CA -0.873 57.451 58.200 0.207 0.000 1.141 229 S CB 0.984 64.251 63.200 0.112 0.000 1.133 229 S HN 0.048 nan 8.310 nan 0.000 0.464 230 R N 2.184 122.073 120.500 -1.018 0.000 2.457 230 R HA 0.431 4.770 4.340 -0.000 0.000 0.284 230 R C -1.919 173.716 176.300 -1.108 0.000 1.024 230 R CA -2.314 52.876 56.100 -1.518 0.000 1.025 230 R CB 0.614 29.583 30.300 -2.219 0.000 1.063 230 R HN 0.272 nan 8.270 nan 0.000 0.493 231 P HA -0.240 nan 4.420 nan 0.000 0.214 231 P C 0.455 177.362 177.300 -0.655 0.000 1.163 231 P CA 1.450 63.689 63.100 -1.435 0.000 0.883 231 P CB 0.101 30.660 31.700 -1.902 0.000 0.788 232 E N -1.065 118.898 120.200 -0.395 0.000 2.197 232 E HA -0.253 4.097 4.350 -0.000 0.000 0.205 232 E C 1.542 178.233 176.600 0.151 0.000 1.029 232 E CA 1.344 57.766 56.400 0.036 0.000 0.828 232 E CB -1.329 28.335 29.700 -0.060 0.000 0.737 232 E HN 0.329 nan 8.360 nan 0.000 0.464 233 W N 0.595 121.838 121.300 -0.096 0.000 2.519 233 W HA 0.173 4.832 4.660 -0.000 0.000 0.266 233 W C 2.006 178.457 176.519 -0.114 0.000 1.253 233 W CA 0.127 57.430 57.345 -0.071 0.000 1.274 233 W CB -0.662 28.746 29.460 -0.086 0.000 1.114 233 W HN 0.124 nan 8.180 nan 0.000 0.596 234 M N -0.349 119.234 119.600 -0.027 0.000 2.446 234 M HA -0.086 4.393 4.480 -0.000 0.000 0.263 234 M C 0.407 176.786 176.300 0.131 0.000 1.066 234 M CA 1.263 56.418 55.300 -0.243 0.000 1.087 234 M CB -0.351 32.103 32.600 -0.243 0.000 1.406 234 M HN -0.301 nan 8.290 nan 0.000 0.459 235 I N 1.598 122.315 120.570 0.244 0.000 2.312 235 I HA 0.201 4.370 4.170 -0.000 0.000 0.290 235 I C -0.328 175.929 176.117 0.233 0.000 1.008 235 I CA -0.509 60.967 61.300 0.293 0.000 1.226 235 I CB 1.063 39.236 38.000 0.288 0.000 1.371 235 I HN 0.033 nan 8.210 nan 0.000 0.468 236 L N 6.448 127.807 121.223 0.226 0.000 2.367 236 L HA 0.251 4.591 4.340 -0.000 0.000 0.275 236 L C 0.795 177.730 176.870 0.109 0.000 1.129 236 L CA 0.176 55.118 54.840 0.170 0.000 0.839 236 L CB 0.819 42.973 42.059 0.160 0.000 1.133 236 L HN 0.690 nan 8.230 nan 0.000 0.453 237 T N -0.317 114.290 114.554 0.088 0.000 2.964 237 T HA 0.060 4.410 4.350 -0.000 0.000 0.250 237 T C 0.016 174.734 174.700 0.030 0.000 0.982 237 T CA -0.023 62.110 62.100 0.055 0.000 0.959 237 T CB 0.380 69.288 68.868 0.067 0.000 1.141 237 T HN 0.651 nan 8.240 nan 0.000 0.494 238 C N 1.929 121.250 119.300 0.035 0.000 2.607 238 C HA 0.768 5.228 4.460 -0.000 0.000 0.350 238 C C -1.402 173.590 174.990 0.003 0.000 1.101 238 C CA -1.205 57.822 59.018 0.015 0.000 1.282 238 C CB -0.232 27.547 27.740 0.067 0.000 1.825 238 C HN 0.567 nan 8.230 nan 0.000 0.460 239 L N 8.074 129.270 121.223 -0.045 0.000 2.296 239 L HA 0.638 4.978 4.340 -0.000 0.000 0.286 239 L C -2.232 174.632 176.870 -0.009 0.000 1.023 239 L CA -1.672 53.158 54.840 -0.017 0.000 0.812 239 L CB 2.211 44.238 42.059 -0.054 0.000 1.223 239 L HN 0.506 nan 8.230 nan 0.000 0.421 240 P HA 0.078 nan 4.420 nan 0.000 0.271 240 P C -1.138 176.287 177.300 0.208 0.000 1.216 240 P CA -0.138 63.027 63.100 0.108 0.000 0.771 240 P CB 0.976 32.716 31.700 0.066 0.000 0.864 241 V N 6.220 126.252 119.914 0.195 0.000 2.311 241 V HA 0.269 4.389 4.120 -0.000 0.000 0.275 241 V C -1.938 174.076 176.094 -0.134 0.000 1.022 241 V CA -2.064 60.270 62.300 0.057 0.000 0.830 241 V CB 1.045 32.852 31.823 -0.026 0.000 1.012 241 V HN 0.536 nan 8.190 nan 0.000 0.452 242 P HA 0.241 nan 4.420 nan 0.000 0.271 242 P C -2.594 174.444 177.300 -0.438 0.000 1.216 242 P CA -1.260 61.475 63.100 -0.608 0.000 0.771 242 P CB 0.645 32.267 31.700 -0.130 0.000 0.864 243 P HA 0.211 nan 4.420 nan 0.000 0.279 243 P C -1.805 175.386 177.300 -0.182 0.000 1.282 243 P CA -1.802 61.129 63.100 -0.282 0.000 0.788 243 P CB -0.491 31.052 31.700 -0.262 0.000 1.139 244 P HA -0.109 nan 4.420 nan 0.000 0.218 244 P C -1.056 176.192 177.300 -0.087 0.000 1.146 244 P CA 2.523 65.564 63.100 -0.099 0.000 0.820 244 P CB -1.950 29.701 31.700 -0.081 0.000 0.778 245 P HA -0.043 nan 4.420 nan 0.000 0.222 245 P C 1.788 179.056 177.300 -0.054 0.000 1.153 245 P CA 0.841 63.903 63.100 -0.065 0.000 0.798 245 P CB -0.301 31.362 31.700 -0.062 0.000 0.796 246 V N 0.946 120.820 119.914 -0.066 0.000 2.346 246 V HA -0.098 4.022 4.120 -0.000 0.000 0.244 246 V C 1.461 177.532 176.094 -0.039 0.000 1.037 246 V CA 1.517 63.793 62.300 -0.039 0.000 1.029 246 V CB -1.023 30.779 31.823 -0.035 0.000 0.663 246 V HN 0.231 nan 8.190 nan 0.000 0.454 247 R N 1.432 121.895 120.500 -0.060 0.000 2.396 247 R HA 0.428 4.768 4.340 -0.000 0.000 0.292 247 R C -2.880 173.368 176.300 -0.087 0.000 1.240 247 R CA -1.787 54.276 56.100 -0.062 0.000 1.270 247 R CB 0.336 30.603 30.300 -0.056 0.000 1.108 247 R HN 0.220 nan 8.270 nan 0.000 0.573 248 P HA 0.026 nan 4.420 nan 0.000 0.275 248 P C -0.653 176.575 177.300 -0.120 0.000 1.270 248 P CA -0.429 62.617 63.100 -0.091 0.000 0.791 248 P CB 0.861 32.517 31.700 -0.074 0.000 1.089 249 S N -1.116 114.505 115.700 -0.131 0.000 2.652 249 S HA 0.430 4.900 4.470 -0.000 0.000 0.252 249 S C 0.071 174.543 174.600 -0.212 0.000 1.219 249 S CA -0.778 57.324 58.200 -0.162 0.000 1.151 249 S CB -0.670 62.443 63.200 -0.145 0.000 1.080 249 S HN 0.257 nan 8.310 nan 0.000 0.481 250 I N 3.002 123.403 120.570 -0.282 0.000 2.382 250 I HA 0.100 4.270 4.170 -0.000 0.000 0.297 250 I C 0.804 176.414 176.117 -0.845 0.000 1.172 250 I CA -0.240 60.764 61.300 -0.493 0.000 1.825 250 I CB -0.857 36.854 38.000 -0.483 0.000 1.509 250 I HN 0.689 nan 8.210 nan 0.000 0.842 251 S N 3.681 119.087 115.700 -0.490 0.000 2.498 251 S HA 0.286 4.756 4.470 -0.000 0.000 0.314 251 S C -0.068 174.346 174.600 -0.308 0.000 1.141 251 S CA -0.640 57.341 58.200 -0.366 0.000 1.087 251 S CB -0.641 62.461 63.200 -0.164 0.000 1.178 251 S HN 0.352 nan 8.310 nan 0.000 0.533 252 F N 4.259 124.211 119.950 0.003 0.000 2.604 252 F HA 0.165 4.691 4.527 -0.000 0.000 0.337 252 F C 1.403 177.204 175.800 0.002 0.000 1.294 252 F CA -0.287 57.715 58.000 0.003 0.000 1.066 252 F CB -1.151 37.853 39.000 0.006 0.000 1.391 252 F HN 0.602 nan 8.300 nan 0.000 0.652 253 N N 1.296 120.057 118.700 0.101 0.000 3.013 253 N HA -0.312 4.427 4.740 -0.000 0.000 0.183 253 N C -0.018 175.514 175.510 0.037 0.000 0.363 253 N CA 1.888 54.973 53.050 0.058 0.000 1.873 253 N CB -0.598 37.929 38.487 0.066 0.000 1.363 253 N HN 0.607 nan 8.380 nan 0.000 0.392 254 E N -0.021 120.210 120.200 0.052 0.000 2.433 254 E HA 0.501 4.851 4.350 -0.000 0.000 0.273 254 E C -0.322 176.311 176.600 0.054 0.000 0.950 254 E CA -0.011 56.411 56.400 0.037 0.000 0.796 254 E CB 2.014 31.729 29.700 0.024 0.000 1.330 254 E HN 0.583 nan 8.360 nan 0.000 0.455 255 S N 0.336 116.061 115.700 0.040 0.000 3.614 255 S HA -0.304 4.166 4.470 -0.000 0.000 0.360 255 S C -0.372 174.270 174.600 0.071 0.000 1.023 255 S CA 1.190 59.416 58.200 0.044 0.000 1.114 255 S CB -1.660 61.561 63.200 0.034 0.000 0.907 255 S HN 0.514 nan 8.310 nan 0.000 0.470 256 Q N -0.351 119.506 119.800 0.093 0.000 2.353 256 Q HA 0.445 4.785 4.340 -0.000 0.000 0.275 256 Q C -0.415 175.657 176.000 0.119 0.000 1.029 256 Q CA -0.996 54.896 55.803 0.149 0.000 0.848 256 Q CB 1.620 30.536 28.738 0.296 0.000 1.390 256 Q HN 0.517 nan 8.270 nan 0.000 0.401 257 R N 0.033 120.609 120.500 0.126 0.000 2.756 257 R HA 0.408 4.747 4.340 -0.000 0.000 0.264 257 R C 0.117 176.449 176.300 0.054 0.000 1.026 257 R CA 0.621 56.777 56.100 0.094 0.000 1.121 257 R CB 0.309 30.687 30.300 0.130 0.000 0.999 257 R HN 0.739 nan 8.270 nan 0.000 0.449 258 G N 1.487 110.280 108.800 -0.010 0.000 2.269 258 G HA2 0.311 4.271 3.960 -0.000 0.000 0.297 258 G HA3 0.311 4.271 3.960 -0.000 0.000 0.297 258 G C -1.398 173.424 174.900 -0.131 0.000 1.340 258 G CA -0.532 44.507 45.100 -0.102 0.000 1.240 258 G HN 0.492 nan 8.290 nan 0.000 0.596 259 E N 1.514 121.609 120.200 -0.174 0.000 2.481 259 E HA 0.102 4.451 4.350 -0.000 0.000 0.301 259 E C -1.199 175.134 176.600 -0.444 0.000 0.948 259 E CA -0.827 55.377 56.400 -0.327 0.000 0.804 259 E CB 2.386 31.825 29.700 -0.434 0.000 1.265 259 E HN 0.469 nan 8.360 nan 0.000 0.406 260 D N 1.448 121.670 120.400 -0.296 0.000 2.369 260 D HA -0.016 4.624 4.640 -0.000 0.000 0.241 260 D C 0.229 176.419 176.300 -0.183 0.000 1.271 260 D CA 0.222 54.119 54.000 -0.171 0.000 0.942 260 D CB 0.848 41.593 40.800 -0.092 0.000 1.129 260 D HN 0.487 nan 8.370 nan 0.000 0.476 261 D N 0.926 121.343 120.400 0.028 0.000 2.348 261 D HA -0.072 4.568 4.640 -0.000 0.000 0.216 261 D C 1.804 178.190 176.300 0.144 0.000 0.970 261 D CA 0.268 54.374 54.000 0.176 0.000 0.889 261 D CB 0.483 41.387 40.800 0.173 0.000 0.912 261 D HN 0.342 nan 8.370 nan 0.000 0.524 262 L N 0.769 122.035 121.223 0.071 0.000 2.131 262 L HA -0.088 4.252 4.340 -0.000 0.000 0.206 262 L C 2.383 179.309 176.870 0.094 0.000 1.087 262 L CA 0.877 55.794 54.840 0.128 0.000 0.767 262 L CB -0.329 41.799 42.059 0.115 0.000 0.917 262 L HN -0.001 nan 8.230 nan 0.000 0.441 263 T N -0.151 114.363 114.554 -0.067 0.000 2.708 263 T HA -0.197 4.153 4.350 -0.000 0.000 0.266 263 T C 1.626 176.263 174.700 -0.105 0.000 1.037 263 T CA 1.532 63.534 62.100 -0.164 0.000 1.146 263 T CB -0.425 68.233 68.868 -0.350 0.000 0.865 263 T HN 0.178 nan 8.240 nan 0.000 0.435 264 F N 1.239 121.215 119.950 0.044 0.000 2.146 264 F HA 0.002 4.528 4.527 -0.001 0.000 0.298 264 F C 2.559 178.398 175.800 0.065 0.000 1.096 264 F CA 0.641 58.669 58.000 0.046 0.000 1.275 264 F CB -0.177 38.855 39.000 0.053 0.000 1.008 264 F HN 0.003 nan 8.300 nan 0.000 0.480 265 K N 1.122 121.692 120.400 0.284 0.000 2.097 265 K HA -0.115 4.205 4.320 -0.000 0.000 0.206 265 K C 1.816 178.508 176.600 0.154 0.000 1.049 265 K CA 1.213 57.654 56.287 0.256 0.000 0.933 265 K CB -0.562 32.118 32.500 0.299 0.000 0.717 265 K HN 0.258 nan 8.250 nan 0.000 0.442 266 L N -0.333 120.919 121.223 0.047 0.000 2.109 266 L HA -0.052 4.287 4.340 -0.000 0.000 0.207 266 L C 2.228 179.053 176.870 -0.074 0.000 1.086 266 L CA 1.140 55.891 54.840 -0.150 0.000 0.760 266 L CB -0.438 41.511 42.059 -0.183 0.000 0.910 266 L HN 0.277 nan 8.230 nan 0.000 0.437 267 A N -0.760 122.068 122.820 0.013 0.000 1.978 267 A HA -0.263 4.057 4.320 -0.000 0.000 0.220 267 A C 1.968 179.555 177.584 0.005 0.000 1.170 267 A CA 2.037 54.094 52.037 0.034 0.000 0.636 267 A CB -0.472 18.601 19.000 0.122 0.000 0.810 267 A HN 0.384 nan 8.150 nan 0.000 0.448 268 D N -0.386 120.023 120.400 0.015 0.000 2.194 268 D HA -0.016 4.623 4.640 -0.000 0.000 0.204 268 D C 1.892 178.020 176.300 -0.287 0.000 0.964 268 D CA 0.725 54.664 54.000 -0.102 0.000 0.846 268 D CB -0.106 40.704 40.800 0.017 0.000 0.962 268 D HN 0.524 nan 8.370 nan 0.000 0.490 269 I N 0.498 120.985 120.570 -0.140 0.000 2.142 269 I HA -0.267 3.903 4.170 -0.000 0.000 0.240 269 I C 2.345 178.378 176.117 -0.140 0.000 1.078 269 I CA 0.571 61.796 61.300 -0.124 0.000 1.343 269 I CB -0.157 37.765 38.000 -0.129 0.000 1.046 269 I HN 0.033 nan 8.210 nan 0.000 0.405 270 L N 0.972 122.120 121.223 -0.124 0.000 2.042 270 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 270 L C 2.409 179.224 176.870 -0.091 0.000 1.076 270 L CA 1.853 56.631 54.840 -0.103 0.000 0.749 270 L CB -0.810 41.201 42.059 -0.080 0.000 0.893 270 L HN 0.125 nan 8.230 nan 0.000 0.432 271 K N -1.096 119.247 120.400 -0.096 0.000 1.991 271 K HA -0.186 4.133 4.320 -0.000 0.000 0.212 271 K C 2.041 178.579 176.600 -0.103 0.000 1.049 271 K CA 1.634 57.869 56.287 -0.087 0.000 0.932 271 K CB -0.409 32.036 32.500 -0.092 0.000 0.717 271 K HN 0.420 nan 8.250 nan 0.000 0.441 272 A N 1.670 124.393 122.820 -0.162 0.000 1.908 272 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 272 A C 1.918 179.462 177.584 -0.067 0.000 1.181 272 A CA 2.105 54.071 52.037 -0.118 0.000 0.627 272 A CB -0.831 18.082 19.000 -0.146 0.000 0.818 272 A HN 0.394 nan 8.150 nan 0.000 0.445 273 N N 0.134 118.790 118.700 -0.074 0.000 2.036 273 N HA -0.159 4.581 4.740 -0.000 0.000 0.195 273 N C 1.481 176.956 175.510 -0.058 0.000 1.037 273 N CA 2.214 55.227 53.050 -0.062 0.000 0.855 273 N CB -0.411 38.028 38.487 -0.079 0.000 1.033 273 N HN 0.498 nan 8.380 nan 0.000 0.423 274 I N -0.100 120.431 120.570 -0.065 0.000 2.163 274 I HA -0.271 3.898 4.170 -0.000 0.000 0.243 274 I C 2.216 178.311 176.117 -0.037 0.000 1.085 274 I CA 1.528 62.793 61.300 -0.058 0.000 1.347 274 I CB -0.408 37.556 38.000 -0.059 0.000 1.044 274 I HN 0.334 nan 8.210 nan 0.000 0.408 275 S N 0.406 116.085 115.700 -0.035 0.000 2.515 275 S HA -0.077 4.392 4.470 -0.000 0.000 0.231 275 S C 1.820 176.407 174.600 -0.021 0.000 0.987 275 S CA 0.407 58.593 58.200 -0.024 0.000 0.936 275 S CB -0.221 62.964 63.200 -0.026 0.000 0.766 275 S HN 0.353 nan 8.310 nan 0.000 0.528 276 L N 1.467 122.676 121.223 -0.025 0.000 2.209 276 L HA 0.317 4.657 4.340 -0.000 0.000 0.207 276 L C 2.205 179.067 176.870 -0.013 0.000 1.094 276 L CA 1.521 56.350 54.840 -0.019 0.000 0.790 276 L CB -0.687 41.361 42.059 -0.020 0.000 0.932 276 L HN 0.274 nan 8.230 nan 0.000 0.447 277 E N -0.892 119.299 120.200 -0.016 0.000 2.046 277 E HA -0.100 4.250 4.350 -0.000 0.000 0.190 277 E C 0.676 177.297 176.600 0.034 0.000 0.982 277 E CA 1.409 57.807 56.400 -0.003 0.000 0.800 277 E CB -0.149 29.531 29.700 -0.033 0.000 0.756 277 E HN 0.398 nan 8.360 nan 0.000 0.449 278 T N 1.188 115.757 114.554 0.024 0.000 3.953 278 T HA 0.149 4.499 4.350 -0.000 0.000 0.236 278 T C 0.837 175.546 174.700 0.016 0.000 0.861 278 T CA 0.436 62.562 62.100 0.044 0.000 0.909 278 T CB -0.167 68.718 68.868 0.029 0.000 1.240 278 T HN 0.081 nan 8.240 nan 0.000 0.683 279 L N -1.345 119.885 121.223 0.012 0.000 4.117 279 L HA 0.234 4.573 4.340 -0.000 0.000 0.403 279 L C 1.816 178.676 176.870 -0.017 0.000 1.051 279 L CA 0.151 54.982 54.840 -0.014 0.000 1.521 279 L CB 0.584 42.629 42.059 -0.023 0.000 1.894 279 L HN 0.161 nan 8.230 nan 0.000 0.632 280 E N -0.480 119.725 120.200 0.009 0.000 2.127 280 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 280 E C 1.570 178.195 176.600 0.042 0.000 0.964 280 E CA 0.546 56.954 56.400 0.014 0.000 0.832 280 E CB 0.297 30.010 29.700 0.022 0.000 0.790 280 E HN 0.333 nan 8.360 nan 0.000 0.465 281 H N 0.858 119.910 119.070 -0.030 0.000 2.423 281 H HA 0.052 4.608 4.556 -0.001 0.000 0.297 281 H C 1.468 176.781 175.328 -0.026 0.000 1.075 281 H CA 1.317 57.348 56.048 -0.027 0.000 1.342 281 H CB 0.216 29.961 29.762 -0.029 0.000 1.395 281 H HN -0.032 nan 8.280 nan 0.000 0.530 282 N N 0.195 118.811 118.700 -0.141 0.000 2.353 282 N HA 0.131 4.870 4.740 -0.000 0.000 0.185 282 N C 0.007 175.447 175.510 -0.116 0.000 1.098 282 N CA 0.892 53.836 53.050 -0.176 0.000 0.872 282 N CB 0.455 38.880 38.487 -0.103 0.000 0.970 282 N HN 0.558 nan 8.380 nan 0.000 0.467 283 G N 0.234 108.984 108.800 -0.083 0.000 2.797 283 G HA2 0.214 4.174 3.960 -0.000 0.000 0.686 283 G HA3 0.214 4.174 3.960 -0.000 0.000 0.686 283 G C -0.698 174.154 174.900 -0.079 0.000 1.452 283 G CA -0.247 44.808 45.100 -0.075 0.000 0.986 283 G HN 0.550 nan 8.290 nan 0.000 0.595 284 A N 2.460 125.219 122.820 -0.102 0.000 2.566 284 A HA 0.930 5.250 4.320 -0.000 0.000 0.290 284 A C -2.567 174.903 177.584 -0.190 0.000 1.071 284 A CA -0.128 51.842 52.037 -0.110 0.000 0.658 284 A CB 0.332 19.282 19.000 -0.082 0.000 1.285 284 A HN 1.159 nan 8.150 nan 0.000 0.427 285 P HA 0.341 nan 4.420 nan 0.000 0.272 285 P C 0.374 177.525 177.300 -0.249 0.000 1.254 285 P CA -0.217 62.756 63.100 -0.212 0.000 0.795 285 P CB 0.262 31.933 31.700 -0.048 0.000 1.022 286 H N -1.013 118.081 119.070 0.040 0.000 2.329 286 H HA -0.057 4.499 4.556 -0.000 0.000 0.306 286 H C 1.184 176.552 175.328 0.068 0.000 1.062 286 H CA 1.281 57.356 56.048 0.045 0.000 1.364 286 H CB -0.599 29.191 29.762 0.046 0.000 1.409 286 H HN 0.528 nan 8.280 nan 0.000 0.519 287 H N 0.980 120.124 119.070 0.123 0.000 2.611 287 H HA 0.199 4.755 4.556 -0.000 0.000 0.283 287 H C 1.191 176.538 175.328 0.032 0.000 1.075 287 H CA 0.422 56.508 56.048 0.065 0.000 1.184 287 H CB -0.049 29.745 29.762 0.054 0.000 1.294 287 H HN 0.396 nan 8.280 nan 0.000 0.619 288 A N -0.773 122.044 122.820 -0.004 0.000 1.999 288 A HA 0.174 4.494 4.320 -0.000 0.000 0.200 288 A C 2.003 179.548 177.584 -0.064 0.000 1.363 288 A CA 0.033 52.040 52.037 -0.050 0.000 0.844 288 A CB 0.033 19.015 19.000 -0.029 0.000 0.954 288 A HN 0.390 nan 8.150 nan 0.000 0.481 289 I N 0.048 120.591 120.570 -0.045 0.000 2.406 289 I HA -0.161 4.008 4.170 -0.000 0.000 0.249 289 I C 2.336 178.431 176.117 -0.037 0.000 1.122 289 I CA 1.076 62.355 61.300 -0.034 0.000 1.431 289 I CB -0.205 37.782 38.000 -0.021 0.000 1.087 289 I HN 0.401 nan 8.210 nan 0.000 0.424 290 E N 0.638 120.816 120.200 -0.036 0.000 2.085 290 E HA -0.300 4.050 4.350 -0.000 0.000 0.194 290 E C 1.991 178.523 176.600 -0.113 0.000 0.994 290 E CA 1.469 57.837 56.400 -0.053 0.000 0.801 290 E CB -0.022 29.663 29.700 -0.025 0.000 0.743 290 E HN 0.363 nan 8.360 nan 0.000 0.453 291 E N 0.111 120.187 120.200 -0.207 0.000 2.106 291 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 291 E C 1.765 178.313 176.600 -0.087 0.000 0.984 291 E CA 1.115 57.397 56.400 -0.197 0.000 0.806 291 E CB -0.015 29.535 29.700 -0.249 0.000 0.750 291 E HN 0.267 nan 8.360 nan 0.000 0.458 292 A N 0.257 123.038 122.820 -0.064 0.000 2.016 292 A HA -0.110 4.209 4.320 -0.000 0.000 0.217 292 A C 1.893 179.472 177.584 -0.008 0.000 1.162 292 A CA 0.990 53.010 52.037 -0.029 0.000 0.662 292 A CB -0.219 18.763 19.000 -0.030 0.000 0.812 292 A HN 0.174 nan 8.150 nan 0.000 0.450 293 E N 0.337 120.528 120.200 -0.016 0.000 2.016 293 E HA -0.137 4.212 4.350 -0.000 0.000 0.190 293 E C 2.349 178.963 176.600 0.024 0.000 0.985 293 E CA 1.520 57.917 56.400 -0.004 0.000 0.802 293 E CB -0.208 29.480 29.700 -0.020 0.000 0.762 293 E HN 0.738 nan 8.360 nan 0.000 0.448 294 S N 0.956 116.667 115.700 0.018 0.000 2.469 294 S HA -0.137 4.333 4.470 -0.000 0.000 0.238 294 S C 1.975 176.644 174.600 0.115 0.000 0.998 294 S CA 0.573 58.808 58.200 0.059 0.000 0.957 294 S CB -0.161 63.059 63.200 0.033 0.000 0.764 294 S HN 0.123 nan 8.310 nan 0.000 0.514 295 L N 0.566 121.846 121.223 0.095 0.000 2.044 295 L HA 0.194 4.534 4.340 -0.000 0.000 0.205 295 L C 2.222 179.290 176.870 0.330 0.000 1.075 295 L CA 1.298 56.247 54.840 0.182 0.000 0.747 295 L CB -0.767 41.360 42.059 0.114 0.000 0.903 295 L HN 0.358 nan 8.230 nan 0.000 0.435 296 L N -0.141 121.193 121.223 0.186 0.000 1.955 296 L HA -0.267 4.072 4.340 -0.000 0.000 0.213 296 L C 2.631 179.616 176.870 0.191 0.000 1.072 296 L CA 2.396 57.332 54.840 0.161 0.000 0.755 296 L CB -1.127 40.968 42.059 0.059 0.000 0.888 296 L HN 0.555 nan 8.230 nan 0.000 0.432 297 Q N -1.007 118.874 119.800 0.135 0.000 2.197 297 Q HA -0.333 4.007 4.340 -0.000 0.000 0.211 297 Q C 2.081 178.181 176.000 0.167 0.000 0.993 297 Q CA 2.637 58.513 55.803 0.122 0.000 0.883 297 Q CB -0.868 27.918 28.738 0.080 0.000 0.916 297 Q HN 0.577 nan 8.270 nan 0.000 0.418 298 F N -0.474 119.517 119.950 0.068 0.000 2.146 298 F HA -0.132 4.395 4.527 -0.001 0.000 0.298 298 F C 1.770 177.563 175.800 -0.012 0.000 1.096 298 F CA 2.109 60.117 58.000 0.014 0.000 1.275 298 F CB -0.274 38.701 39.000 -0.041 0.000 1.008 298 F HN 0.260 nan 8.300 nan 0.000 0.480 299 H N -1.311 117.866 119.070 0.179 0.000 2.462 299 H HA -0.051 4.505 4.556 -0.000 0.000 0.292 299 H C 2.260 177.612 175.328 0.039 0.000 1.049 299 H CA 1.519 57.626 56.048 0.099 0.000 1.334 299 H CB -0.203 29.638 29.762 0.132 0.000 1.404 299 H HN 0.152 nan 8.280 nan 0.000 0.544 300 V N 0.429 120.427 119.914 0.141 0.000 2.323 300 V HA -0.230 3.890 4.120 -0.000 0.000 0.244 300 V C 2.515 178.658 176.094 0.083 0.000 1.041 300 V CA 1.488 63.855 62.300 0.112 0.000 1.025 300 V CB -0.893 30.976 31.823 0.078 0.000 0.656 300 V HN 0.566 nan 8.190 nan 0.000 0.451 301 A N 0.046 122.861 122.820 -0.009 0.000 1.841 301 A HA -0.281 4.039 4.320 -0.000 0.000 0.216 301 A C 2.398 179.900 177.584 -0.137 0.000 1.199 301 A CA 2.828 54.817 52.037 -0.080 0.000 0.621 301 A CB -1.355 17.567 19.000 -0.131 0.000 0.835 301 A HN 0.464 nan 8.150 nan 0.000 0.445 302 T N -1.438 112.934 114.554 -0.302 0.000 2.778 302 T HA -0.209 4.141 4.350 -0.000 0.000 0.269 302 T C 1.710 176.384 174.700 -0.043 0.000 1.050 302 T CA 1.773 63.712 62.100 -0.267 0.000 1.137 302 T CB -0.458 68.151 68.868 -0.432 0.000 0.860 302 T HN 0.556 nan 8.240 nan 0.000 0.468 303 Y N 1.272 121.523 120.300 -0.082 0.000 2.165 303 Y HA -0.112 4.438 4.550 -0.000 0.000 0.286 303 Y C 2.064 177.960 175.900 -0.008 0.000 1.155 303 Y CA 1.295 59.386 58.100 -0.015 0.000 1.164 303 Y CB -0.297 38.168 38.460 0.008 0.000 0.978 303 Y HN 0.207 nan 8.280 nan 0.000 0.513 304 M N -1.111 118.401 119.600 -0.147 0.000 2.556 304 M HA 0.083 4.563 4.480 -0.000 0.000 0.259 304 M C -0.479 175.786 176.300 -0.059 0.000 1.175 304 M CA 0.732 55.927 55.300 -0.175 0.000 1.202 304 M CB 0.164 32.704 32.600 -0.100 0.000 1.298 304 M HN -0.110 nan 8.290 nan 0.000 0.492 305 D N 1.299 121.682 120.400 -0.028 0.000 2.381 305 D HA 0.219 4.858 4.640 -0.000 0.000 0.235 305 D C -0.805 175.462 176.300 -0.056 0.000 1.068 305 D CA -0.141 53.851 54.000 -0.013 0.000 0.832 305 D CB 0.685 41.506 40.800 0.036 0.000 1.101 305 D HN -0.071 nan 8.370 nan 0.000 0.515 306 N N 2.245 120.917 118.700 -0.047 0.000 3.298 306 N HA 0.122 4.862 4.740 -0.000 0.000 0.292 306 N C -0.990 174.505 175.510 -0.026 0.000 1.271 306 N CA 0.034 53.057 53.050 -0.044 0.000 1.184 306 N CB 0.241 38.712 38.487 -0.026 0.000 1.452 306 N HN 0.291 nan 8.380 nan 0.000 0.534 307 D N 1.276 121.659 120.400 -0.029 0.000 3.595 307 D HA 0.176 4.816 4.640 -0.000 0.000 0.253 307 D C -0.209 176.090 176.300 -0.001 0.000 1.395 307 D CA -0.035 53.961 54.000 -0.007 0.000 0.820 307 D CB 0.064 40.861 40.800 -0.006 0.000 1.431 307 D HN 0.195 nan 8.370 nan 0.000 0.690 308 I N -0.646 119.928 120.570 0.005 0.000 4.371 308 I HA 0.507 4.677 4.170 -0.000 0.000 0.216 308 I C 1.842 178.016 176.117 0.095 0.000 0.978 308 I CA -0.996 60.326 61.300 0.036 0.000 1.572 308 I CB -0.057 37.938 38.000 -0.008 0.000 1.275 308 I HN -0.075 nan 8.210 nan 0.000 0.399 309 A N 0.016 122.940 122.820 0.173 0.000 2.248 309 A HA 0.537 4.856 4.320 -0.000 0.000 0.210 309 A C 0.810 178.507 177.584 0.188 0.000 1.174 309 A CA 1.203 53.349 52.037 0.181 0.000 0.750 309 A CB -1.384 17.734 19.000 0.196 0.000 0.780 309 A HN 1.021 nan 8.150 nan 0.000 0.478 310 G N -1.647 107.283 108.800 0.217 0.000 2.336 310 G HA2 0.455 4.415 3.960 -0.000 0.000 0.286 310 G HA3 0.455 4.415 3.960 -0.000 0.000 0.286 310 G C -1.810 173.198 174.900 0.181 0.000 1.269 310 G CA -0.769 44.441 45.100 0.185 0.000 0.873 310 G HN 0.258 nan 8.290 nan 0.000 0.494 311 Q N 0.967 120.863 119.800 0.159 0.000 2.337 311 Q HA 0.422 4.762 4.340 -0.000 0.000 0.260 311 Q C -2.715 173.369 176.000 0.141 0.000 0.982 311 Q CA -1.673 54.201 55.803 0.120 0.000 0.734 311 Q CB 2.870 31.650 28.738 0.069 0.000 1.272 311 Q HN 0.420 nan 8.270 nan 0.000 0.461 312 P HA 0.040 nan 4.420 nan 0.000 0.277 312 P C -0.623 176.747 177.300 0.117 0.000 1.354 312 P CA -0.055 63.144 63.100 0.166 0.000 0.891 312 P CB 0.659 32.499 31.700 0.233 0.000 1.058 313 Q N 1.670 121.521 119.800 0.086 0.000 2.186 313 Q HA 0.324 4.664 4.340 -0.000 0.000 0.241 313 Q C 0.331 176.357 176.000 0.043 0.000 0.849 313 Q CA -0.387 55.455 55.803 0.065 0.000 1.053 313 Q CB 0.817 29.585 28.738 0.051 0.000 1.146 313 Q HN 0.463 nan 8.270 nan 0.000 0.475 314 A N 1.689 124.538 122.820 0.049 0.000 3.094 314 A HA 0.412 4.732 4.320 -0.000 0.000 0.288 314 A C -0.288 177.277 177.584 -0.032 0.000 1.519 314 A CA -0.240 51.803 52.037 0.010 0.000 1.227 314 A CB -0.466 18.549 19.000 0.025 0.000 1.175 314 A HN 0.339 nan 8.150 nan 0.000 0.568 315 L N 0.888 122.060 121.223 -0.087 0.000 2.417 315 L HA 0.357 4.697 4.340 -0.000 0.000 0.259 315 L C 0.785 177.348 176.870 -0.511 0.000 1.023 315 L CA -0.417 54.270 54.840 -0.255 0.000 0.901 315 L CB 0.801 42.861 42.059 0.003 0.000 1.227 315 L HN 0.777 nan 8.230 nan 0.000 0.454 316 Q N 0.325 119.746 119.800 -0.633 0.000 2.284 316 Q HA -0.235 4.105 4.340 -0.000 0.000 0.205 316 Q C -0.257 175.622 176.000 -0.201 0.000 0.682 316 Q CA 1.584 57.097 55.803 -0.483 0.000 1.401 316 Q CB -0.399 27.947 28.738 -0.654 0.000 1.643 316 Q HN 0.629 nan 8.270 nan 0.000 0.717 317 K N -0.338 119.976 120.400 -0.143 0.000 2.426 317 K HA 0.278 4.598 4.320 -0.000 0.000 0.254 317 K C 0.677 177.250 176.600 -0.045 0.000 0.936 317 K CA 0.402 56.651 56.287 -0.063 0.000 0.801 317 K CB 1.372 33.856 32.500 -0.027 0.000 1.139 317 K HN 0.110 nan 8.250 nan 0.000 0.424 318 S N 0.732 116.413 115.700 -0.032 0.000 2.561 318 S HA -0.040 4.430 4.470 -0.000 0.000 0.225 318 S C 1.464 176.059 174.600 -0.009 0.000 0.977 318 S CA 0.648 58.836 58.200 -0.021 0.000 0.926 318 S CB 0.106 63.295 63.200 -0.018 0.000 0.769 318 S HN 0.761 nan 8.310 nan 0.000 0.533 319 G N 1.235 110.031 108.800 -0.006 0.000 2.539 319 G HA2 0.204 4.164 3.960 -0.000 0.000 0.215 319 G HA3 0.204 4.164 3.960 -0.000 0.000 0.215 319 G C 0.235 175.139 174.900 0.007 0.000 1.141 319 G CA -0.618 44.483 45.100 0.002 0.000 0.806 319 G HN 0.526 nan 8.290 nan 0.000 0.533 320 R N -0.634 119.870 120.500 0.006 0.000 2.723 320 R HA -0.104 4.236 4.340 -0.000 0.000 0.307 320 R C -2.922 173.393 176.300 0.025 0.000 0.973 320 R CA 0.161 56.270 56.100 0.015 0.000 0.669 320 R CB -2.176 28.135 30.300 0.018 0.000 1.790 320 R HN 0.359 nan 8.270 nan 0.000 0.449 321 P HA 0.640 nan 4.420 nan 0.000 0.287 321 P C -0.980 176.352 177.300 0.053 0.000 1.292 321 P CA -0.807 62.316 63.100 0.040 0.000 0.879 321 P CB 1.951 33.676 31.700 0.041 0.000 1.214 322 V N 0.200 120.146 119.914 0.054 0.000 3.012 322 V HA 0.506 4.626 4.120 -0.000 0.000 0.307 322 V C -1.420 174.707 176.094 0.055 0.000 1.166 322 V CA -0.696 61.643 62.300 0.064 0.000 0.974 322 V CB 2.253 34.112 31.823 0.060 0.000 1.040 322 V HN 0.438 nan 8.190 nan 0.000 0.428 323 K N 3.366 123.804 120.400 0.064 0.000 2.578 323 K HA 0.588 4.908 4.320 -0.000 0.000 0.250 323 K C -0.493 176.126 176.600 0.031 0.000 0.955 323 K CA -0.362 55.950 56.287 0.042 0.000 0.825 323 K CB 2.080 34.608 32.500 0.045 0.000 1.151 323 K HN 0.890 nan 8.250 nan 0.000 0.432 324 S N 1.927 117.621 115.700 -0.009 0.000 2.690 324 S HA 0.435 4.905 4.470 -0.000 0.000 0.285 324 S C 1.207 175.743 174.600 -0.107 0.000 1.135 324 S CA -0.779 57.382 58.200 -0.064 0.000 1.020 324 S CB 0.493 63.649 63.200 -0.073 0.000 1.159 324 S HN 0.536 nan 8.310 nan 0.000 0.534 325 I N 0.006 120.458 120.570 -0.197 0.000 3.226 325 I HA 0.121 4.290 4.170 -0.000 0.000 0.277 325 I C 2.705 178.761 176.117 -0.101 0.000 1.243 325 I CA 0.272 61.476 61.300 -0.160 0.000 1.459 325 I CB -0.366 37.498 38.000 -0.228 0.000 1.093 325 I HN 0.665 nan 8.210 nan 0.000 0.453 326 R N 2.218 122.661 120.500 -0.095 0.000 2.066 326 R HA -0.081 4.259 4.340 -0.000 0.000 0.232 326 R C 2.192 178.450 176.300 -0.070 0.000 1.131 326 R CA 1.616 57.661 56.100 -0.092 0.000 0.955 326 R CB -0.169 30.085 30.300 -0.077 0.000 0.851 326 R HN 0.319 nan 8.270 nan 0.000 0.432 327 A N 0.499 123.287 122.820 -0.053 0.000 2.235 327 A HA 0.029 4.349 4.320 -0.000 0.000 0.208 327 A C 1.890 179.458 177.584 -0.026 0.000 1.172 327 A CA 0.337 52.355 52.037 -0.033 0.000 0.786 327 A CB -0.217 18.771 19.000 -0.019 0.000 0.804 327 A HN 0.308 nan 8.150 nan 0.000 0.479 328 R N -0.890 119.588 120.500 -0.036 0.000 2.100 328 R HA 0.194 4.534 4.340 -0.000 0.000 0.220 328 R C 1.527 177.812 176.300 -0.025 0.000 1.091 328 R CA 0.664 56.748 56.100 -0.026 0.000 0.986 328 R CB -0.209 30.074 30.300 -0.029 0.000 0.888 328 R HN 0.475 nan 8.270 nan 0.000 0.444 329 L N 0.697 121.897 121.223 -0.039 0.000 2.376 329 L HA -0.082 4.257 4.340 -0.000 0.000 0.219 329 L C 1.673 178.522 176.870 -0.035 0.000 1.133 329 L CA 0.977 55.793 54.840 -0.040 0.000 0.816 329 L CB -0.085 41.936 42.059 -0.064 0.000 0.933 329 L HN 0.082 nan 8.230 nan 0.000 0.449 330 K N -0.165 120.216 120.400 -0.033 0.000 2.515 330 K HA -0.023 4.297 4.320 -0.000 0.000 0.196 330 K C 1.387 177.979 176.600 -0.013 0.000 1.038 330 K CA 0.767 57.041 56.287 -0.022 0.000 0.967 330 K CB 0.070 32.559 32.500 -0.019 0.000 0.780 330 K HN 0.322 nan 8.250 nan 0.000 0.483 331 G N -0.128 108.665 108.800 -0.012 0.000 3.829 331 G HA2 0.088 4.047 3.960 -0.000 0.000 0.279 331 G HA3 0.088 4.047 3.960 -0.000 0.000 0.279 331 G C 0.595 175.491 174.900 -0.007 0.000 1.008 331 G CA -0.263 44.833 45.100 -0.007 0.000 0.840 331 G HN 0.050 nan 8.290 nan 0.000 0.474 332 K N -0.224 120.170 120.400 -0.010 0.000 2.603 332 K HA 0.114 4.434 4.320 -0.000 0.000 0.216 332 K C 1.629 178.223 176.600 -0.010 0.000 1.562 332 K CA 0.403 56.685 56.287 -0.007 0.000 1.012 332 K CB 0.710 33.208 32.500 -0.004 0.000 1.280 332 K HN 0.290 nan 8.250 nan 0.000 0.620 333 E N -0.377 119.812 120.200 -0.018 0.000 2.415 333 E HA 0.039 4.389 4.350 -0.000 0.000 0.197 333 E C 1.207 177.799 176.600 -0.014 0.000 1.007 333 E CA 0.707 57.095 56.400 -0.021 0.000 0.890 333 E CB 0.612 30.289 29.700 -0.039 0.000 0.891 333 E HN 0.166 nan 8.360 nan 0.000 0.496 334 G N 1.012 109.804 108.800 -0.012 0.000 3.044 334 G HA2 0.020 3.980 3.960 -0.000 0.000 0.223 334 G HA3 0.020 3.980 3.960 -0.000 0.000 0.223 334 G C 1.503 176.399 174.900 -0.007 0.000 1.123 334 G CA -0.254 44.841 45.100 -0.009 0.000 0.765 334 G HN 0.094 nan 8.290 nan 0.000 0.546 335 R N -0.365 120.132 120.500 -0.006 0.000 2.282 335 R HA 0.377 4.717 4.340 -0.000 0.000 0.195 335 R C 1.813 178.110 176.300 -0.004 0.000 0.909 335 R CA 0.008 56.105 56.100 -0.005 0.000 1.039 335 R CB 0.019 30.317 30.300 -0.004 0.000 1.015 335 R HN 0.317 nan 8.270 nan 0.000 0.513 336 I N -0.037 120.531 120.570 -0.004 0.000 2.480 336 I HA -0.108 4.062 4.170 -0.000 0.000 0.251 336 I C 2.530 178.646 176.117 -0.003 0.000 1.124 336 I CA 0.671 61.970 61.300 -0.002 0.000 1.444 336 I CB -0.092 37.908 38.000 0.001 0.000 1.098 336 I HN 0.128 nan 8.210 nan 0.000 0.428 337 R N 0.995 121.492 120.500 -0.005 0.000 2.090 337 R HA -0.095 4.244 4.340 -0.000 0.000 0.228 337 R C 2.254 178.550 176.300 -0.007 0.000 1.110 337 R CA 1.368 57.465 56.100 -0.006 0.000 0.973 337 R CB -0.382 29.913 30.300 -0.007 0.000 0.869 337 R HN 0.379 nan 8.270 nan 0.000 0.440 338 G N 0.507 109.303 108.800 -0.007 0.000 2.450 338 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.220 338 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.220 338 G C 1.203 176.100 174.900 -0.006 0.000 1.130 338 G CA 0.588 45.684 45.100 -0.007 0.000 0.760 338 G HN 0.338 nan 8.290 nan 0.000 0.557 339 N N -0.259 118.438 118.700 -0.005 0.000 2.353 339 N HA 0.159 4.899 4.740 -0.000 0.000 0.185 339 N C 1.652 177.159 175.510 -0.004 0.000 1.098 339 N CA -0.010 53.037 53.050 -0.004 0.000 0.872 339 N CB 0.465 38.950 38.487 -0.003 0.000 0.970 339 N HN 0.259 nan 8.380 nan 0.000 0.467 340 L N 0.149 121.369 121.223 -0.005 0.000 2.567 340 L HA 0.225 4.565 4.340 -0.000 0.000 0.225 340 L C 1.616 178.481 176.870 -0.008 0.000 1.119 340 L CA 0.298 55.135 54.840 -0.006 0.000 0.871 340 L CB 0.133 42.189 42.059 -0.006 0.000 1.036 340 L HN 0.058 nan 8.230 nan 0.000 0.459 341 M N -1.354 118.242 119.600 -0.008 0.000 2.333 341 M HA 0.275 4.755 4.480 -0.000 0.000 0.257 341 M C 0.973 177.270 176.300 -0.005 0.000 1.078 341 M CA 0.366 55.661 55.300 -0.008 0.000 1.005 341 M CB 0.830 33.424 32.600 -0.010 0.000 1.444 341 M HN 0.205 nan 8.290 nan 0.000 0.496 342 G N 1.715 110.514 108.800 -0.003 0.000 2.248 342 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.252 342 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.252 342 G C 0.540 175.445 174.900 0.009 0.000 1.085 342 G CA 0.261 45.363 45.100 0.003 0.000 0.845 342 G HN 0.435 nan 8.290 nan 0.000 0.494 343 K N -0.641 119.760 120.400 0.003 0.000 2.067 343 K HA 0.094 4.414 4.320 -0.000 0.000 0.203 343 K C 1.743 178.341 176.600 -0.002 0.000 1.048 343 K CA 0.553 56.840 56.287 0.001 0.000 0.954 343 K CB 0.067 32.564 32.500 -0.004 0.000 0.737 343 K HN 0.312 nan 8.250 nan 0.000 0.444 344 R N 2.237 122.732 120.500 -0.009 0.000 4.556 344 R HA 0.078 4.418 4.340 -0.000 0.000 0.197 344 R C -0.708 175.574 176.300 -0.030 0.000 1.791 344 R CA -0.220 55.866 56.100 -0.024 0.000 1.526 344 R CB -0.200 30.082 30.300 -0.030 0.000 1.410 344 R HN -0.034 nan 8.270 nan 0.000 0.826 345 V N 2.212 122.120 119.914 -0.010 0.000 2.416 345 V HA -0.043 4.077 4.120 -0.000 0.000 0.267 345 V C 0.399 176.474 176.094 -0.031 0.000 1.007 345 V CA -0.219 62.093 62.300 0.019 0.000 1.102 345 V CB -0.579 31.276 31.823 0.054 0.000 1.035 345 V HN 0.441 nan 8.190 nan 0.000 0.473 346 D N 4.077 124.440 120.400 -0.062 0.000 2.278 346 D HA 0.443 5.083 4.640 -0.000 0.000 0.245 346 D C 0.039 176.227 176.300 -0.187 0.000 1.052 346 D CA -1.327 52.485 54.000 -0.314 0.000 0.834 346 D CB 1.390 41.878 40.800 -0.519 0.000 1.194 346 D HN 0.424 nan 8.370 nan 0.000 0.481 347 F N -0.245 119.761 119.950 0.093 0.000 2.999 347 F HA -0.256 4.271 4.527 -0.000 0.000 0.291 347 F C 0.249 176.114 175.800 0.108 0.000 0.824 347 F CA 0.572 58.638 58.000 0.109 0.000 1.255 347 F CB -2.028 37.043 39.000 0.120 0.000 1.333 347 F HN 0.536 nan 8.300 nan 0.000 0.502 348 S N -0.258 115.532 115.700 0.150 0.000 2.634 348 S HA 0.993 5.463 4.470 -0.000 0.000 0.296 348 S C -0.453 174.158 174.600 0.018 0.000 1.104 348 S CA -0.187 58.012 58.200 -0.002 0.000 0.920 348 S CB 2.856 65.975 63.200 -0.135 0.000 1.111 348 S HN 1.311 nan 8.310 nan 0.000 0.493 349 A N 1.011 123.841 122.820 0.017 0.000 2.589 349 A HA 0.841 5.160 4.320 -0.000 0.000 0.296 349 A C -0.891 176.848 177.584 0.259 0.000 1.062 349 A CA -0.819 51.312 52.037 0.157 0.000 0.686 349 A CB 1.601 20.774 19.000 0.288 0.000 1.282 349 A HN 0.982 nan 8.150 nan 0.000 0.404 350 R N 0.744 121.338 120.500 0.156 0.000 2.673 350 R HA 0.826 5.165 4.340 -0.000 0.000 0.281 350 R C -1.311 174.955 176.300 -0.057 0.000 0.991 350 R CA 0.004 56.185 56.100 0.135 0.000 0.896 350 R CB 2.115 32.439 30.300 0.040 0.000 1.201 350 R HN 0.974 nan 8.270 nan 0.000 0.457 351 T N -0.066 114.411 114.554 -0.129 0.000 2.733 351 T HA 0.175 4.525 4.350 -0.000 0.000 0.312 351 T C -0.689 173.937 174.700 -0.122 0.000 1.590 351 T CA -0.818 61.124 62.100 -0.263 0.000 1.005 351 T CB 0.932 69.433 68.868 -0.612 0.000 1.528 351 T HN 0.245 nan 8.240 nan 0.000 0.496 352 V N 1.854 121.709 119.914 -0.098 0.000 2.928 352 V HA 0.173 4.293 4.120 -0.000 0.000 0.307 352 V C 0.673 176.791 176.094 0.041 0.000 1.105 352 V CA -0.065 62.228 62.300 -0.012 0.000 1.223 352 V CB -0.466 31.344 31.823 -0.020 0.000 0.930 352 V HN 0.763 nan 8.190 nan 0.000 0.499 353 I N 1.512 122.177 120.570 0.159 0.000 2.488 353 I HA 0.737 4.907 4.170 -0.000 0.000 0.299 353 I C 0.038 176.242 176.117 0.146 0.000 0.984 353 I CA -0.059 61.384 61.300 0.238 0.000 1.250 353 I CB 1.669 39.917 38.000 0.413 0.000 1.389 353 I HN 0.484 nan 8.210 nan 0.000 0.488 354 S N 2.546 118.162 115.700 -0.140 0.000 2.542 354 S HA 0.696 5.166 4.470 -0.000 0.000 0.293 354 S C 0.101 173.982 174.600 -1.197 0.000 1.089 354 S CA -0.726 57.111 58.200 -0.605 0.000 0.961 354 S CB 1.801 64.801 63.200 -0.332 0.000 1.062 354 S HN 1.024 nan 8.310 nan 0.000 0.483 355 G N 0.559 108.039 108.800 -2.200 0.000 2.527 355 G HA2 0.472 4.431 3.960 -0.000 0.000 0.248 355 G HA3 0.472 4.431 3.960 -0.000 0.000 0.248 355 G C -1.016 173.609 174.900 -0.459 0.000 1.231 355 G CA -0.021 44.330 45.100 -1.248 0.000 0.838 355 G HN 0.595 nan 8.290 nan 0.000 0.570 356 D N 1.193 121.466 120.400 -0.211 0.000 2.452 356 D HA 0.202 4.842 4.640 -0.000 0.000 0.226 356 D C -2.004 174.268 176.300 -0.046 0.000 1.366 356 D CA -1.335 52.590 54.000 -0.124 0.000 0.986 356 D CB 2.387 43.117 40.800 -0.117 0.000 1.420 356 D HN 0.116 nan 8.370 nan 0.000 0.583 357 P HA 0.030 nan 4.420 nan 0.000 0.237 357 P C 0.560 177.861 177.300 0.003 0.000 1.178 357 P CA 0.332 63.428 63.100 -0.006 0.000 0.766 357 P CB 0.560 32.242 31.700 -0.029 0.000 0.876 358 N N -0.570 118.137 118.700 0.011 0.000 2.236 358 N HA 0.149 4.889 4.740 -0.000 0.000 0.196 358 N C 0.555 176.097 175.510 0.053 0.000 1.114 358 N CA 0.055 53.137 53.050 0.054 0.000 0.859 358 N CB 0.451 38.988 38.487 0.085 0.000 0.982 358 N HN 0.246 nan 8.380 nan 0.000 0.493 359 L N 1.239 122.477 121.223 0.025 0.000 2.375 359 L HA 0.213 4.553 4.340 -0.000 0.000 0.271 359 L C 0.927 177.820 176.870 0.039 0.000 1.107 359 L CA -0.685 54.166 54.840 0.019 0.000 0.806 359 L CB 0.756 42.806 42.059 -0.016 0.000 1.146 359 L HN -0.120 nan 8.230 nan 0.000 0.447 360 E N 0.943 121.168 120.200 0.041 0.000 2.428 360 E HA -0.066 4.283 4.350 -0.000 0.000 0.257 360 E C 0.735 177.360 176.600 0.042 0.000 1.197 360 E CA -0.109 56.322 56.400 0.052 0.000 0.974 360 E CB 0.538 30.265 29.700 0.046 0.000 0.976 360 E HN 0.459 nan 8.360 nan 0.000 0.463 361 L N 1.431 122.672 121.223 0.031 0.000 2.191 361 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 361 L C 0.997 177.870 176.870 0.005 0.000 1.103 361 L CA 1.958 56.774 54.840 -0.041 0.000 0.769 361 L CB -0.146 41.783 42.059 -0.216 0.000 0.908 361 L HN 0.441 nan 8.230 nan 0.000 0.438 362 D N -1.714 118.705 120.400 0.032 0.000 2.559 362 D HA 0.060 4.700 4.640 -0.000 0.000 0.234 362 D C 0.073 176.469 176.300 0.160 0.000 1.226 362 D CA -0.190 53.854 54.000 0.073 0.000 0.830 362 D CB -0.024 40.758 40.800 -0.032 0.000 1.028 362 D HN 0.470 nan 8.370 nan 0.000 0.492 363 Q N -0.077 119.792 119.800 0.116 0.000 2.195 363 Q HA 0.585 4.924 4.340 -0.000 0.000 0.250 363 Q C -0.992 174.922 176.000 -0.144 0.000 0.988 363 Q CA -1.057 54.757 55.803 0.018 0.000 0.911 363 Q CB 3.212 31.941 28.738 -0.016 0.000 1.258 363 Q HN -0.009 nan 8.270 nan 0.000 0.475 364 V N 0.428 120.182 119.914 -0.267 0.000 2.524 364 V HA 0.437 4.556 4.120 -0.000 0.000 0.297 364 V C -0.574 175.327 176.094 -0.322 0.000 1.035 364 V CA -0.381 61.590 62.300 -0.549 0.000 0.867 364 V CB 1.628 32.858 31.823 -0.987 0.000 1.004 364 V HN 0.858 nan 8.190 nan 0.000 0.426 365 G N 5.855 114.520 108.800 -0.225 0.000 2.335 365 G HA2 0.431 4.391 3.960 -0.000 0.000 0.268 365 G HA3 0.431 4.391 3.960 -0.000 0.000 0.268 365 G C -0.416 174.481 174.900 -0.004 0.000 1.228 365 G CA -0.051 44.992 45.100 -0.095 0.000 0.968 365 G HN 0.748 nan 8.290 nan 0.000 0.459 366 V N 6.504 126.427 119.914 0.015 0.000 2.370 366 V HA 0.271 4.390 4.120 -0.000 0.000 0.279 366 V C -1.693 174.436 176.094 0.058 0.000 1.029 366 V CA -1.801 60.590 62.300 0.151 0.000 0.870 366 V CB 1.708 33.590 31.823 0.099 0.000 0.984 366 V HN 0.618 nan 8.190 nan 0.000 0.451 367 P HA 0.035 nan 4.420 nan 0.000 0.266 367 P C 0.646 177.897 177.300 -0.083 0.000 1.195 367 P CA 0.010 63.087 63.100 -0.038 0.000 0.768 367 P CB 0.995 32.651 31.700 -0.073 0.000 0.838 368 K N 2.272 122.580 120.400 -0.154 0.000 2.089 368 K HA -0.200 4.120 4.320 -0.000 0.000 0.210 368 K C 2.029 178.533 176.600 -0.160 0.000 1.048 368 K CA 2.369 58.509 56.287 -0.244 0.000 0.926 368 K CB -0.322 32.029 32.500 -0.247 0.000 0.714 368 K HN 0.571 nan 8.250 nan 0.000 0.448 369 S N 0.251 115.887 115.700 -0.106 0.000 2.402 369 S HA -0.091 4.379 4.470 -0.000 0.000 0.229 369 S C 1.939 176.523 174.600 -0.026 0.000 1.021 369 S CA 0.908 59.066 58.200 -0.069 0.000 0.974 369 S CB -0.331 62.833 63.200 -0.060 0.000 0.800 369 S HN 0.311 nan 8.310 nan 0.000 0.484 370 I N 1.696 122.259 120.570 -0.011 0.000 2.500 370 I HA 0.011 4.181 4.170 -0.000 0.000 0.252 370 I C 2.958 179.139 176.117 0.105 0.000 1.142 370 I CA 0.811 62.146 61.300 0.058 0.000 1.451 370 I CB -0.544 37.509 38.000 0.088 0.000 1.093 370 I HN 0.428 nan 8.210 nan 0.000 0.430 371 A N 0.768 123.620 122.820 0.054 0.000 1.930 371 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 371 A C 2.220 179.887 177.584 0.140 0.000 1.175 371 A CA 1.385 53.473 52.037 0.086 0.000 0.627 371 A CB -0.347 18.618 19.000 -0.057 0.000 0.815 371 A HN 0.276 nan 8.150 nan 0.000 0.443 372 K N -0.717 119.683 120.400 0.000 0.000 2.504 372 K HA -0.024 4.295 4.320 -0.000 0.000 0.195 372 K C 1.350 178.121 176.600 0.286 0.000 1.036 372 K CA 1.337 57.567 56.287 -0.095 0.000 0.984 372 K CB -0.002 32.386 32.500 -0.186 0.000 0.788 372 K HN 0.608 nan 8.250 nan 0.000 0.488 373 T N 0.350 115.036 114.554 0.221 0.000 3.021 373 T HA 0.143 4.493 4.350 -0.000 0.000 0.245 373 T C 0.705 175.559 174.700 0.258 0.000 1.028 373 T CA 0.074 62.299 62.100 0.208 0.000 1.139 373 T CB 0.136 69.088 68.868 0.140 0.000 0.884 373 T HN -0.024 nan 8.240 nan 0.000 0.457 374 L N 3.366 124.750 121.223 0.269 0.000 2.290 374 L HA 0.465 4.804 4.340 -0.000 0.000 0.284 374 L C 0.768 177.816 176.870 0.297 0.000 1.078 374 L CA -0.751 54.269 54.840 0.300 0.000 0.815 374 L CB 0.586 42.807 42.059 0.269 0.000 1.162 374 L HN 0.192 nan 8.230 nan 0.000 0.435 375 T N -0.394 114.332 114.554 0.287 0.000 2.944 375 T HA 0.483 4.833 4.350 -0.000 0.000 0.284 375 T C -0.929 173.841 174.700 0.117 0.000 1.010 375 T CA -0.559 61.646 62.100 0.176 0.000 1.025 375 T CB 1.587 70.542 68.868 0.146 0.000 1.079 375 T HN 0.413 nan 8.240 nan 0.000 0.516 376 Y N 2.557 122.834 120.300 -0.037 0.000 2.338 376 Y HA 0.498 5.047 4.550 -0.000 0.000 0.333 376 Y C -2.712 173.140 175.900 -0.078 0.000 0.968 376 Y CA -2.938 55.107 58.100 -0.093 0.000 1.123 376 Y CB 2.204 40.643 38.460 -0.036 0.000 1.165 376 Y HN 0.505 nan 8.280 nan 0.000 0.452 377 P HA 0.064 nan 4.420 nan 0.000 0.273 377 P C -0.924 175.945 177.300 -0.719 0.000 1.319 377 P CA 0.324 63.087 63.100 -0.561 0.000 0.885 377 P CB 0.612 32.038 31.700 -0.456 0.000 1.015 378 E N 3.169 123.190 120.200 -0.297 0.000 2.151 378 E HA 0.292 4.642 4.350 -0.000 0.000 0.275 378 E C -0.772 175.833 176.600 0.007 0.000 0.936 378 E CA -0.972 55.385 56.400 -0.072 0.000 0.777 378 E CB 1.236 31.031 29.700 0.157 0.000 1.108 378 E HN 0.077 nan 8.360 nan 0.000 0.401 379 V N 4.977 124.910 119.914 0.031 0.000 2.508 379 V HA 0.033 4.152 4.120 -0.000 0.000 0.281 379 V C 0.227 176.379 176.094 0.098 0.000 1.041 379 V CA -0.433 61.907 62.300 0.068 0.000 1.016 379 V CB 1.193 33.051 31.823 0.059 0.000 0.984 379 V HN 0.538 nan 8.190 nan 0.000 0.478 380 V N 5.259 125.248 119.914 0.125 0.000 2.585 380 V HA 0.265 4.385 4.120 -0.000 0.000 0.296 380 V C 0.535 176.696 176.094 0.110 0.000 1.035 380 V CA 0.692 63.070 62.300 0.131 0.000 1.084 380 V CB 1.015 32.918 31.823 0.134 0.000 0.953 380 V HN 1.022 nan 8.190 nan 0.000 0.483 381 T N 6.982 121.574 114.554 0.063 0.000 3.097 381 T HA 0.361 4.710 4.350 -0.000 0.000 0.332 381 T C -1.983 172.555 174.700 -0.270 0.000 1.269 381 T CA -0.780 61.213 62.100 -0.178 0.000 1.076 381 T CB 2.247 71.097 68.868 -0.030 0.000 1.209 381 T HN 0.430 nan 8.240 nan 0.000 0.474 382 P HA -0.166 nan 4.420 nan 0.000 0.217 382 P C 0.991 178.160 177.300 -0.217 0.000 1.151 382 P CA 1.593 64.428 63.100 -0.443 0.000 0.849 382 P CB -0.112 31.160 31.700 -0.713 0.000 0.787 383 Y N 1.303 121.563 120.300 -0.066 0.000 2.315 383 Y HA -0.149 4.400 4.550 -0.000 0.000 0.288 383 Y C 1.975 177.881 175.900 0.009 0.000 1.154 383 Y CA 1.147 59.234 58.100 -0.022 0.000 1.229 383 Y CB -1.299 37.145 38.460 -0.026 0.000 0.980 383 Y HN 0.204 nan 8.280 nan 0.000 0.540 384 N N -1.559 117.222 118.700 0.134 0.000 2.159 384 N HA -0.006 4.734 4.740 -0.000 0.000 0.217 384 N C 1.004 176.569 175.510 0.091 0.000 1.223 384 N CA -0.019 53.100 53.050 0.116 0.000 0.896 384 N CB -0.686 37.877 38.487 0.128 0.000 1.064 384 N HN 0.187 nan 8.380 nan 0.000 0.518 385 I N 1.348 121.976 120.570 0.097 0.000 2.194 385 I HA -0.258 3.912 4.170 -0.000 0.000 0.246 385 I C 0.775 176.920 176.117 0.046 0.000 1.093 385 I CA 1.628 62.982 61.300 0.090 0.000 1.355 385 I CB -0.376 37.707 38.000 0.138 0.000 1.046 385 I HN 0.117 nan 8.210 nan 0.000 0.413 386 D N -0.241 120.186 120.400 0.044 0.000 2.085 386 D HA -0.168 4.472 4.640 -0.000 0.000 0.199 386 D C 2.256 178.574 176.300 0.030 0.000 0.981 386 D CA 0.981 54.998 54.000 0.028 0.000 0.834 386 D CB -0.322 40.495 40.800 0.028 0.000 0.992 386 D HN 0.217 nan 8.370 nan 0.000 0.457 387 R N 0.453 120.977 120.500 0.039 0.000 2.094 387 R HA -0.113 4.227 4.340 -0.000 0.000 0.239 387 R C 2.459 178.781 176.300 0.035 0.000 1.137 387 R CA 1.030 57.152 56.100 0.036 0.000 0.943 387 R CB -0.494 29.832 30.300 0.044 0.000 0.850 387 R HN 0.167 nan 8.270 nan 0.000 0.433 388 L N -0.281 120.971 121.223 0.048 0.000 2.012 388 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 388 L C 2.568 179.460 176.870 0.037 0.000 1.073 388 L CA 1.887 56.757 54.840 0.050 0.000 0.748 388 L CB -0.621 41.480 42.059 0.070 0.000 0.891 388 L HN 0.361 nan 8.230 nan 0.000 0.431 389 T N -1.330 113.242 114.554 0.029 0.000 2.746 389 T HA -0.263 4.087 4.350 -0.000 0.000 0.267 389 T C 1.787 176.495 174.700 0.014 0.000 1.039 389 T CA 1.549 63.659 62.100 0.017 0.000 1.142 389 T CB -0.030 68.838 68.868 -0.001 0.000 0.866 389 T HN 0.221 nan 8.240 nan 0.000 0.444 390 Q N 0.845 120.652 119.800 0.013 0.000 2.096 390 Q HA -0.040 4.300 4.340 -0.000 0.000 0.204 390 Q C 2.108 178.112 176.000 0.006 0.000 0.982 390 Q CA 1.600 57.409 55.803 0.009 0.000 0.850 390 Q CB -0.664 28.080 28.738 0.009 0.000 0.901 390 Q HN 0.552 nan 8.270 nan 0.000 0.422 391 L N -0.964 120.262 121.223 0.006 0.000 1.976 391 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 391 L C 2.336 179.203 176.870 -0.005 0.000 1.071 391 L CA 1.326 56.164 54.840 -0.002 0.000 0.746 391 L CB -1.136 40.918 42.059 -0.007 0.000 0.890 391 L HN 0.068 nan 8.230 nan 0.000 0.432 392 V N 0.060 119.975 119.914 0.001 0.000 2.439 392 V HA -0.334 3.786 4.120 -0.000 0.000 0.253 392 V C 2.731 178.824 176.094 -0.001 0.000 1.074 392 V CA 1.874 64.176 62.300 0.002 0.000 1.076 392 V CB -0.770 31.073 31.823 0.033 0.000 0.664 392 V HN 0.415 nan 8.190 nan 0.000 0.461 393 R N -0.417 120.086 120.500 0.004 0.000 2.062 393 R HA -0.079 4.261 4.340 -0.000 0.000 0.229 393 R C 2.364 178.664 176.300 0.000 0.000 1.128 393 R CA 1.263 57.364 56.100 0.002 0.000 0.960 393 R CB -0.396 29.906 30.300 0.004 0.000 0.855 393 R HN 0.533 nan 8.270 nan 0.000 0.432 394 N N 0.109 118.812 118.700 0.004 0.000 2.094 394 N HA -0.130 4.610 4.740 -0.000 0.000 0.191 394 N C 1.001 176.522 175.510 0.018 0.000 1.023 394 N CA 1.634 54.691 53.050 0.012 0.000 0.857 394 N CB -0.216 38.280 38.487 0.015 0.000 1.013 394 N HN 0.372 nan 8.380 nan 0.000 0.426 395 G N -0.189 108.617 108.800 0.010 0.000 2.796 395 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.571 395 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.571 395 G C -1.938 172.990 174.900 0.048 0.000 1.370 395 G CA -0.110 44.985 45.100 -0.008 0.000 0.856 395 G HN 0.097 nan 8.290 nan 0.000 0.538 396 P HA -0.099 nan 4.420 nan 0.000 0.221 396 P C 1.020 178.415 177.300 0.160 0.000 1.145 396 P CA 1.891 65.023 63.100 0.053 0.000 0.795 396 P CB -0.130 31.507 31.700 -0.104 0.000 0.775 397 N N -1.328 117.416 118.700 0.074 0.000 2.463 397 N HA 0.033 4.773 4.740 -0.000 0.000 0.183 397 N C 0.481 176.004 175.510 0.021 0.000 1.064 397 N CA -0.128 52.940 53.050 0.029 0.000 0.879 397 N CB 0.127 38.611 38.487 -0.005 0.000 1.148 397 N HN 0.131 nan 8.380 nan 0.000 0.451 398 E N 0.693 120.918 120.200 0.041 0.000 2.338 398 E HA -0.036 4.314 4.350 -0.000 0.000 0.272 398 E C 0.192 176.814 176.600 0.037 0.000 1.029 398 E CA -0.067 56.353 56.400 0.033 0.000 0.872 398 E CB 1.207 30.923 29.700 0.028 0.000 1.015 398 E HN 0.310 nan 8.360 nan 0.000 0.417 399 H N 5.097 124.125 119.070 -0.070 0.000 2.325 399 H HA -0.069 4.487 4.556 -0.000 0.000 0.296 399 H C -1.381 173.953 175.328 0.010 0.000 1.053 399 H CA 1.313 57.273 56.048 -0.147 0.000 1.204 399 H CB -1.092 28.597 29.762 -0.121 0.000 1.383 399 H HN 0.326 nan 8.280 nan 0.000 0.532 400 P HA 0.158 nan 4.420 nan 0.000 0.238 400 P C -0.507 176.737 177.300 -0.094 0.000 1.679 400 P CA 0.703 63.512 63.100 -0.485 0.000 1.080 400 P CB -0.098 31.463 31.700 -0.231 0.000 1.961 401 G N 0.233 109.136 108.800 0.171 0.000 3.140 401 G HA2 0.806 4.766 3.960 -0.000 0.000 0.271 401 G HA3 0.806 4.766 3.960 -0.000 0.000 0.271 401 G C -1.545 173.246 174.900 -0.183 0.000 1.370 401 G CA -0.761 44.422 45.100 0.137 0.000 1.014 401 G HN 0.315 nan 8.290 nan 0.000 0.541 402 A N -1.033 121.605 122.820 -0.303 0.000 2.539 402 A HA 0.734 5.054 4.320 -0.000 0.000 0.296 402 A C 0.372 177.760 177.584 -0.327 0.000 1.073 402 A CA -0.546 51.261 52.037 -0.384 0.000 0.700 402 A CB 1.868 20.779 19.000 -0.148 0.000 1.296 402 A HN 0.536 nan 8.150 nan 0.000 0.405 403 K N -0.667 119.575 120.400 -0.264 0.000 2.202 403 K HA 0.183 4.503 4.320 -0.000 0.000 0.201 403 K C -0.950 175.388 176.600 -0.436 0.000 1.051 403 K CA 1.155 57.273 56.287 -0.281 0.000 0.977 403 K CB 0.167 32.618 32.500 -0.081 0.000 0.792 403 K HN 0.648 nan 8.250 nan 0.000 0.469 404 Y N -0.336 119.925 120.300 -0.066 0.000 2.470 404 Y HA 0.269 4.818 4.550 -0.001 0.000 0.341 404 Y C -0.886 174.989 175.900 -0.042 0.000 1.021 404 Y CA -1.115 56.958 58.100 -0.045 0.000 1.025 404 Y CB 2.022 40.463 38.460 -0.031 0.000 1.266 404 Y HN -0.389 nan 8.280 nan 0.000 0.448 405 V N 5.325 125.297 119.914 0.096 0.000 2.384 405 V HA 0.433 4.553 4.120 -0.000 0.000 0.287 405 V C -0.284 175.785 176.094 -0.041 0.000 1.020 405 V CA -0.685 61.651 62.300 0.061 0.000 0.850 405 V CB 1.191 33.067 31.823 0.089 0.000 0.987 405 V HN 0.569 nan 8.190 nan 0.000 0.436 406 I N 5.675 126.205 120.570 -0.067 0.000 2.328 406 I HA 0.490 4.660 4.170 -0.000 0.000 0.287 406 I C 0.371 176.261 176.117 -0.379 0.000 1.012 406 I CA -0.459 60.735 61.300 -0.176 0.000 1.195 406 I CB 1.220 39.163 38.000 -0.095 0.000 1.350 406 I HN 0.556 nan 8.210 nan 0.000 0.464 407 R N 3.761 123.848 120.500 -0.689 0.000 2.528 407 R HA 0.229 4.569 4.340 -0.000 0.000 0.271 407 R C 0.672 176.666 176.300 -0.509 0.000 1.056 407 R CA -0.732 54.603 56.100 -1.275 0.000 1.117 407 R CB 0.638 30.056 30.300 -1.470 0.000 1.085 407 R HN 0.481 nan 8.270 nan 0.000 0.530 408 D N 0.817 121.070 120.400 -0.245 0.000 2.600 408 D HA -0.308 4.331 4.640 -0.000 0.000 0.194 408 D C 1.480 177.759 176.300 -0.035 0.000 1.040 408 D CA 2.605 56.625 54.000 0.034 0.000 0.871 408 D CB -0.787 40.108 40.800 0.158 0.000 0.973 408 D HN 0.637 nan 8.370 nan 0.000 0.470 409 S N -0.568 115.093 115.700 -0.065 0.000 2.626 409 S HA 0.112 4.581 4.470 -0.000 0.000 0.245 409 S C 1.719 176.274 174.600 -0.074 0.000 0.973 409 S CA 1.064 59.231 58.200 -0.056 0.000 0.959 409 S CB -0.462 62.705 63.200 -0.055 0.000 0.762 409 S HN 0.644 nan 8.310 nan 0.000 0.539 410 G N 0.855 109.594 108.800 -0.101 0.000 2.155 410 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.257 410 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.257 410 G C -0.303 174.534 174.900 -0.105 0.000 0.983 410 G CA 0.194 45.238 45.100 -0.093 0.000 0.676 410 G HN 0.568 nan 8.290 nan 0.000 0.528 411 D N -0.090 120.229 120.400 -0.136 0.000 2.362 411 D HA 0.405 5.044 4.640 -0.000 0.000 0.242 411 D C 0.965 177.191 176.300 -0.123 0.000 1.132 411 D CA 0.207 54.134 54.000 -0.121 0.000 0.907 411 D CB 0.466 41.182 40.800 -0.140 0.000 1.195 411 D HN 0.341 nan 8.370 nan 0.000 0.429 412 R N 1.670 122.137 120.500 -0.056 0.000 2.352 412 R HA 0.372 4.712 4.340 -0.000 0.000 0.304 412 R C -0.388 175.971 176.300 0.098 0.000 1.104 412 R CA -0.561 55.552 56.100 0.022 0.000 0.991 412 R CB 0.799 31.106 30.300 0.012 0.000 1.140 412 R HN 0.316 nan 8.270 nan 0.000 0.540 413 I N 2.135 122.728 120.570 0.039 0.000 2.505 413 I HA -0.044 4.126 4.170 -0.000 0.000 0.287 413 I C 0.522 176.673 176.117 0.056 0.000 1.104 413 I CA 0.221 61.536 61.300 0.026 0.000 1.387 413 I CB 0.342 38.325 38.000 -0.027 0.000 1.404 413 I HN 0.387 nan 8.210 nan 0.000 0.528 414 D N 7.495 127.911 120.400 0.026 0.000 2.631 414 D HA 0.151 4.790 4.640 -0.000 0.000 0.227 414 D C 1.317 177.467 176.300 -0.250 0.000 1.146 414 D CA -0.146 53.747 54.000 -0.179 0.000 1.009 414 D CB 0.300 41.109 40.800 0.015 0.000 1.057 414 D HN 0.481 nan 8.370 nan 0.000 0.509 415 L N 1.608 122.672 121.223 -0.265 0.000 2.356 415 L HA -0.352 3.988 4.340 -0.000 0.000 0.219 415 L C 2.463 179.195 176.870 -0.231 0.000 1.095 415 L CA 1.543 56.263 54.840 -0.200 0.000 0.784 415 L CB -0.526 41.420 42.059 -0.187 0.000 0.890 415 L HN 0.427 nan 8.230 nan 0.000 0.441 416 R N 0.180 120.460 120.500 -0.366 0.000 2.051 416 R HA -0.108 4.232 4.340 -0.000 0.000 0.225 416 R C 0.317 176.349 176.300 -0.448 0.000 1.155 416 R CA 1.031 56.837 56.100 -0.491 0.000 0.945 416 R CB -0.690 29.151 30.300 -0.765 0.000 0.840 416 R HN 0.231 nan 8.270 nan 0.000 0.432 417 Y N 1.516 121.779 120.300 -0.062 0.000 2.880 417 Y HA 0.448 4.998 4.550 -0.000 0.000 0.329 417 Y C -0.264 175.618 175.900 -0.030 0.000 1.156 417 Y CA -0.781 57.300 58.100 -0.032 0.000 1.348 417 Y CB 1.051 39.501 38.460 -0.016 0.000 1.280 417 Y HN 0.061 nan 8.280 nan 0.000 0.516 418 S N 2.232 117.966 115.700 0.057 0.000 2.668 418 S HA 0.193 4.663 4.470 -0.000 0.000 0.277 418 S C 0.604 175.220 174.600 0.026 0.000 1.170 418 S CA -1.056 57.166 58.200 0.037 0.000 0.994 418 S CB 0.798 63.999 63.200 0.002 0.000 1.051 418 S HN 0.786 nan 8.310 nan 0.000 0.484 419 K N 3.578 123.997 120.400 0.031 0.000 2.519 419 K HA 0.059 4.379 4.320 -0.000 0.000 0.196 419 K C 0.818 177.429 176.600 0.019 0.000 1.041 419 K CA 0.870 57.171 56.287 0.025 0.000 0.954 419 K CB -0.041 32.473 32.500 0.024 0.000 0.774 419 K HN 0.535 nan 8.250 nan 0.000 0.480 420 R N -0.260 120.250 120.500 0.017 0.000 2.543 420 R HA 0.261 4.601 4.340 -0.000 0.000 0.323 420 R C 1.585 177.893 176.300 0.013 0.000 1.002 420 R CA 0.336 56.447 56.100 0.018 0.000 1.106 420 R CB 0.610 30.926 30.300 0.027 0.000 1.280 420 R HN 0.196 nan 8.270 nan 0.000 0.549 421 A N 1.223 124.043 122.820 0.001 0.000 1.944 421 A HA -0.215 4.104 4.320 -0.000 0.000 0.222 421 A C 1.820 179.402 177.584 -0.004 0.000 1.237 421 A CA 2.203 54.231 52.037 -0.014 0.000 0.668 421 A CB -0.750 18.232 19.000 -0.030 0.000 0.830 421 A HN 0.433 nan 8.150 nan 0.000 0.471 422 G N -1.696 107.105 108.800 0.002 0.000 3.702 422 G HA2 0.404 4.364 3.960 -0.000 0.000 0.288 422 G HA3 0.404 4.364 3.960 -0.000 0.000 0.288 422 G C -0.241 174.665 174.900 0.011 0.000 1.193 422 G CA 0.872 45.975 45.100 0.005 0.000 0.952 422 G HN 0.445 nan 8.290 nan 0.000 0.544 423 D N 0.290 120.702 120.400 0.020 0.000 3.285 423 D HA 0.156 4.795 4.640 -0.000 0.000 0.273 423 D C -0.498 175.829 176.300 0.045 0.000 1.295 423 D CA -0.380 53.635 54.000 0.025 0.000 0.762 423 D CB -0.298 40.514 40.800 0.021 0.000 1.379 423 D HN 0.095 nan 8.370 nan 0.000 0.612 424 I N 1.403 122.006 120.570 0.055 0.000 2.439 424 I HA 0.285 4.455 4.170 -0.000 0.000 0.285 424 I C -0.288 175.872 176.117 0.071 0.000 1.021 424 I CA -0.798 60.565 61.300 0.105 0.000 1.091 424 I CB 2.088 40.174 38.000 0.142 0.000 1.242 424 I HN -0.031 nan 8.210 nan 0.000 0.439 425 Q N 5.840 125.668 119.800 0.048 0.000 2.361 425 Q HA 0.411 4.750 4.340 -0.000 0.000 0.250 425 Q C -0.679 175.185 176.000 -0.226 0.000 1.023 425 Q CA -0.241 55.517 55.803 -0.076 0.000 0.915 425 Q CB 1.089 29.764 28.738 -0.104 0.000 1.238 425 Q HN 0.531 nan 8.270 nan 0.000 0.451 426 L N 3.549 124.647 121.223 -0.208 0.000 2.462 426 L HA 0.046 4.386 4.340 -0.000 0.000 0.272 426 L C 0.333 176.802 176.870 -0.668 0.000 1.166 426 L CA 0.309 54.944 54.840 -0.342 0.000 0.880 426 L CB 0.323 42.325 42.059 -0.096 0.000 1.142 426 L HN 0.495 nan 8.230 nan 0.000 0.473 427 Q N 3.106 122.153 119.800 -1.255 0.000 2.257 427 Q HA 0.344 4.684 4.340 -0.000 0.000 0.262 427 Q C -0.988 174.593 176.000 -0.698 0.000 0.997 427 Q CA -0.871 54.285 55.803 -1.077 0.000 0.873 427 Q CB 1.851 29.829 28.738 -1.266 0.000 1.312 427 Q HN 0.412 nan 8.270 nan 0.000 0.450 428 Y N -0.150 119.923 120.300 -0.379 0.000 2.712 428 Y HA 0.038 4.588 4.550 -0.000 0.000 0.333 428 Y C 1.593 177.409 175.900 -0.140 0.000 1.225 428 Y CA 0.849 58.821 58.100 -0.213 0.000 1.499 428 Y CB 0.327 38.693 38.460 -0.157 0.000 1.288 428 Y HN 1.033 nan 8.280 nan 0.000 0.575 429 G N 1.319 110.209 108.800 0.151 0.000 2.175 429 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.244 429 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.244 429 G C -0.425 174.660 174.900 0.308 0.000 0.982 429 G CA -0.543 44.662 45.100 0.175 0.000 0.641 429 G HN 0.552 nan 8.290 nan 0.000 0.527 430 W N 1.149 122.477 121.300 0.046 0.000 2.237 430 W HA 0.695 5.355 4.660 -0.000 0.000 0.335 430 W C 0.700 177.227 176.519 0.013 0.000 1.230 430 W CA -1.143 56.216 57.345 0.023 0.000 1.253 430 W CB 0.544 30.016 29.460 0.019 0.000 1.129 430 W HN -0.002 nan 8.180 nan 0.000 0.590 431 K N 1.239 121.757 120.400 0.195 0.000 2.227 431 K HA 0.427 4.747 4.320 -0.000 0.000 0.280 431 K C -0.646 176.014 176.600 0.100 0.000 1.041 431 K CA -0.478 55.859 56.287 0.084 0.000 0.905 431 K CB 1.086 33.581 32.500 -0.009 0.000 1.068 431 K HN 0.092 nan 8.250 nan 0.000 0.470 432 V N 3.294 123.260 119.914 0.085 0.000 2.472 432 V HA 0.134 4.253 4.120 -0.000 0.000 0.290 432 V C -0.035 176.070 176.094 0.018 0.000 1.037 432 V CA -0.678 61.665 62.300 0.072 0.000 0.908 432 V CB 1.527 33.396 31.823 0.077 0.000 0.985 432 V HN 0.726 nan 8.190 nan 0.000 0.454 433 E N 5.090 125.307 120.200 0.028 0.000 2.026 433 E HA 0.230 4.580 4.350 -0.000 0.000 0.253 433 E C -0.016 176.574 176.600 -0.017 0.000 1.056 433 E CA -0.363 56.042 56.400 0.008 0.000 0.927 433 E CB 0.578 30.328 29.700 0.084 0.000 1.172 433 E HN 0.615 nan 8.360 nan 0.000 0.445 434 R N 0.929 121.424 120.500 -0.010 0.000 2.738 434 R HA 0.264 4.604 4.340 -0.000 0.000 0.275 434 R C -0.057 176.215 176.300 -0.048 0.000 1.121 434 R CA -0.411 55.656 56.100 -0.055 0.000 1.207 434 R CB 0.243 30.566 30.300 0.037 0.000 1.141 434 R HN 0.374 nan 8.270 nan 0.000 0.571 435 H N -0.151 118.965 119.070 0.077 0.000 2.679 435 H HA 0.142 4.698 4.556 -0.000 0.000 0.369 435 H C 0.252 175.667 175.328 0.144 0.000 1.178 435 H CA -0.443 55.678 56.048 0.122 0.000 1.419 435 H CB 0.491 30.323 29.762 0.117 0.000 1.458 435 H HN 0.474 nan 8.280 nan 0.000 0.605 436 I N 0.597 121.351 120.570 0.306 0.000 2.648 436 I HA 0.129 4.299 4.170 -0.000 0.000 0.284 436 I C -0.215 176.056 176.117 0.257 0.000 1.153 436 I CA 0.284 61.711 61.300 0.212 0.000 1.426 436 I CB 0.168 38.261 38.000 0.155 0.000 1.381 436 I HN 0.335 nan 8.210 nan 0.000 0.571 437 M N 2.820 122.523 119.600 0.171 0.000 2.716 437 M HA 0.449 4.928 4.480 -0.000 0.000 0.307 437 M C -0.663 175.702 176.300 0.109 0.000 1.223 437 M CA -1.000 54.418 55.300 0.197 0.000 0.871 437 M CB 1.096 33.771 32.600 0.124 0.000 1.739 437 M HN 0.377 nan 8.290 nan 0.000 0.475 438 D N 2.618 123.085 120.400 0.110 0.000 2.923 438 D HA -0.056 4.583 4.640 -0.000 0.000 0.220 438 D C 0.184 176.500 176.300 0.026 0.000 1.099 438 D CA 1.540 55.571 54.000 0.053 0.000 0.807 438 D CB -0.061 40.770 40.800 0.051 0.000 1.155 438 D HN 0.726 nan 8.370 nan 0.000 0.524 439 N N 0.477 119.181 118.700 0.006 0.000 2.997 439 N HA -0.155 4.585 4.740 -0.000 0.000 0.214 439 N C -1.015 174.475 175.510 -0.033 0.000 0.904 439 N CA 0.393 53.438 53.050 -0.010 0.000 1.021 439 N CB -0.889 37.594 38.487 -0.006 0.000 1.040 439 N HN 0.438 nan 8.380 nan 0.000 0.573 440 D N 2.697 123.071 120.400 -0.044 0.000 2.493 440 D HA 0.100 4.740 4.640 -0.000 0.000 0.240 440 D C -2.045 174.216 176.300 -0.065 0.000 1.142 440 D CA -0.406 53.538 54.000 -0.093 0.000 0.872 440 D CB 0.396 41.134 40.800 -0.103 0.000 1.173 440 D HN 0.191 nan 8.370 nan 0.000 0.467 441 P HA -0.013 nan 4.420 nan 0.000 0.269 441 P C -0.345 176.947 177.300 -0.015 0.000 1.252 441 P CA -0.190 62.886 63.100 -0.039 0.000 0.780 441 P CB 0.469 32.137 31.700 -0.053 0.000 0.829 442 V N 2.478 122.412 119.914 0.033 0.000 2.960 442 V HA 0.584 4.704 4.120 -0.000 0.000 0.315 442 V C -0.651 175.536 176.094 0.157 0.000 1.087 442 V CA -1.429 60.917 62.300 0.078 0.000 0.982 442 V CB 2.186 34.042 31.823 0.056 0.000 1.039 442 V HN 0.225 nan 8.190 nan 0.000 0.437 443 L N 3.635 124.977 121.223 0.198 0.000 2.265 443 L HA 0.649 4.989 4.340 -0.000 0.000 0.289 443 L C -1.015 176.069 176.870 0.357 0.000 1.033 443 L CA -0.341 54.644 54.840 0.241 0.000 0.814 443 L CB 0.710 42.869 42.059 0.167 0.000 1.203 443 L HN 0.752 nan 8.230 nan 0.000 0.423 444 F N 6.444 126.528 119.950 0.224 0.000 2.426 444 F HA 0.510 5.036 4.527 -0.000 0.000 0.348 444 F C -0.265 175.653 175.800 0.198 0.000 1.124 444 F CA -0.538 57.534 58.000 0.120 0.000 1.008 444 F CB 0.908 39.940 39.000 0.053 0.000 1.139 444 F HN 0.666 nan 8.300 nan 0.000 0.452 445 N N 5.700 124.177 118.700 -0.370 0.000 2.235 445 N HA 0.360 5.100 4.740 -0.000 0.000 0.293 445 N C -1.830 173.476 175.510 -0.340 0.000 1.083 445 N CA -0.663 52.308 53.050 -0.132 0.000 0.801 445 N CB 2.284 40.812 38.487 0.069 0.000 1.559 445 N HN 0.796 nan 8.380 nan 0.000 0.472 446 R N 2.692 123.100 120.500 -0.154 0.000 2.310 446 R HA 0.240 4.580 4.340 -0.000 0.000 0.324 446 R C -0.625 175.673 176.300 -0.003 0.000 0.955 446 R CA -0.407 55.613 56.100 -0.133 0.000 0.830 446 R CB 1.020 31.236 30.300 -0.139 0.000 1.154 446 R HN 0.605 nan 8.270 nan 0.000 0.458 447 Q N 4.587 124.374 119.800 -0.023 0.000 2.293 447 Q HA 0.283 4.623 4.340 -0.000 0.000 0.251 447 Q C -2.009 173.986 176.000 -0.008 0.000 0.930 447 Q CA -1.827 53.974 55.803 -0.003 0.000 0.893 447 Q CB 0.976 29.712 28.738 -0.003 0.000 1.215 447 Q HN 0.443 nan 8.270 nan 0.000 0.425 448 P HA 0.078 nan 4.420 nan 0.000 0.285 448 P C -1.133 176.172 177.300 0.008 0.000 1.259 448 P CA -0.534 62.563 63.100 -0.004 0.000 0.794 448 P CB 1.073 32.765 31.700 -0.014 0.000 0.940 449 S N 2.596 118.305 115.700 0.015 0.000 2.567 449 S HA 0.340 4.809 4.470 -0.000 0.000 0.262 449 S C 0.428 175.049 174.600 0.035 0.000 1.237 449 S CA -0.709 57.516 58.200 0.042 0.000 1.093 449 S CB -0.485 62.742 63.200 0.044 0.000 1.095 449 S HN 0.286 nan 8.310 nan 0.000 0.489 450 L N 0.298 121.542 121.223 0.035 0.000 3.036 450 L HA 0.560 4.900 4.340 -0.000 0.000 0.237 450 L C 0.160 177.082 176.870 0.086 0.000 1.319 450 L CA -0.082 54.762 54.840 0.007 0.000 1.112 450 L CB -1.049 40.975 42.059 -0.059 0.000 1.480 450 L HN 0.797 nan 8.230 nan 0.000 0.506 451 H N 0.175 119.205 119.070 -0.067 0.000 3.179 451 H HA 0.048 4.603 4.556 -0.000 0.000 0.301 451 H C 0.178 175.456 175.328 -0.083 0.000 1.382 451 H CA -0.275 55.723 56.048 -0.083 0.000 1.605 451 H CB 1.383 31.099 29.762 -0.076 0.000 2.343 451 H HN 0.317 nan 8.280 nan 0.000 0.372 452 K N 2.410 122.722 120.400 -0.147 0.000 2.173 452 K HA -0.188 4.131 4.320 -0.000 0.000 0.207 452 K C 1.316 177.770 176.600 -0.244 0.000 1.046 452 K CA 2.236 58.420 56.287 -0.171 0.000 0.929 452 K CB -0.071 32.325 32.500 -0.174 0.000 0.720 452 K HN 0.355 nan 8.250 nan 0.000 0.453 453 M N 1.584 120.903 119.600 -0.468 0.000 2.630 453 M HA -0.019 4.461 4.480 -0.000 0.000 0.254 453 M C 1.429 177.503 176.300 -0.377 0.000 1.092 453 M CA 1.040 56.049 55.300 -0.485 0.000 1.087 453 M CB 0.107 32.305 32.600 -0.669 0.000 1.453 453 M HN 0.380 nan 8.290 nan 0.000 0.509 454 S N -1.292 114.323 115.700 -0.142 0.000 2.557 454 S HA 0.307 4.777 4.470 -0.000 0.000 0.223 454 S C 0.607 175.320 174.600 0.188 0.000 0.969 454 S CA -0.373 57.851 58.200 0.041 0.000 0.927 454 S CB 0.000 63.330 63.200 0.216 0.000 0.806 454 S HN 0.366 nan 8.310 nan 0.000 0.489 455 M N 2.353 121.987 119.600 0.057 0.000 1.998 455 M HA 0.468 4.948 4.480 -0.000 0.000 0.289 455 M C -1.100 175.234 176.300 0.057 0.000 0.886 455 M CA 0.175 55.543 55.300 0.112 0.000 0.853 455 M CB 1.218 33.840 32.600 0.036 0.000 1.462 455 M HN 0.281 nan 8.290 nan 0.000 0.375 456 M N 1.204 120.889 119.600 0.141 0.000 2.644 456 M HA 0.726 5.205 4.480 -0.000 0.000 0.316 456 M C 0.022 176.356 176.300 0.057 0.000 1.200 456 M CA -0.685 54.609 55.300 -0.009 0.000 0.944 456 M CB 2.305 34.789 32.600 -0.194 0.000 1.691 456 M HN 0.552 nan 8.290 nan 0.000 0.471 457 A N 1.432 124.198 122.820 -0.091 0.000 2.290 457 A HA 0.605 4.925 4.320 -0.000 0.000 0.310 457 A C -0.983 176.498 177.584 -0.172 0.000 1.202 457 A CA -0.533 51.489 52.037 -0.024 0.000 0.837 457 A CB 0.251 19.234 19.000 -0.028 0.000 1.139 457 A HN 0.879 nan 8.150 nan 0.000 0.509 458 H N 1.347 120.438 119.070 0.034 0.000 2.731 458 H HA 0.375 4.931 4.556 -0.000 0.000 0.368 458 H C -0.491 174.806 175.328 -0.052 0.000 1.168 458 H CA -0.888 55.146 56.048 -0.024 0.000 1.181 458 H CB 1.445 31.162 29.762 -0.075 0.000 1.743 458 H HN 0.679 nan 8.280 nan 0.000 0.547 459 R N 0.964 121.508 120.500 0.072 0.000 2.401 459 R HA 0.178 4.518 4.340 -0.000 0.000 0.299 459 R C -0.172 176.122 176.300 -0.009 0.000 1.064 459 R CA -0.364 55.745 56.100 0.016 0.000 1.000 459 R CB 0.600 30.904 30.300 0.007 0.000 0.973 459 R HN 0.229 nan 8.270 nan 0.000 0.438 460 V N 3.712 123.611 119.914 -0.025 0.000 2.924 460 V HA 0.066 4.186 4.120 -0.000 0.000 0.305 460 V C 0.497 176.574 176.094 -0.028 0.000 1.073 460 V CA 0.358 62.632 62.300 -0.044 0.000 1.098 460 V CB 1.073 32.886 31.823 -0.017 0.000 1.000 460 V HN 0.589 nan 8.190 nan 0.000 0.484 461 K N 3.457 123.832 120.400 -0.042 0.000 2.740 461 K HA 0.308 4.628 4.320 -0.000 0.000 0.246 461 K C -1.235 175.342 176.600 -0.039 0.000 1.021 461 K CA -0.414 55.857 56.287 -0.026 0.000 1.021 461 K CB 1.699 34.182 32.500 -0.028 0.000 1.233 461 K HN 0.452 nan 8.250 nan 0.000 0.497 462 V N 5.737 125.624 119.914 -0.046 0.000 2.694 462 V HA 0.093 4.213 4.120 -0.000 0.000 0.306 462 V C 0.581 176.614 176.094 -0.102 0.000 1.054 462 V CA 0.233 62.459 62.300 -0.124 0.000 1.161 462 V CB -0.039 31.605 31.823 -0.297 0.000 0.916 462 V HN 0.551 nan 8.190 nan 0.000 0.490 463 I N 3.067 123.578 120.570 -0.097 0.000 2.865 463 I HA 0.581 4.751 4.170 -0.000 0.000 0.302 463 I C -2.222 173.846 176.117 -0.081 0.000 1.140 463 I CA -2.400 58.866 61.300 -0.057 0.000 1.021 463 I CB 1.582 39.580 38.000 -0.004 0.000 1.233 463 I HN 0.291 nan 8.210 nan 0.000 0.427 464 P HA -0.202 nan 4.420 nan 0.000 0.225 464 P C -0.078 177.112 177.300 -0.182 0.000 0.928 464 P CA 1.481 64.447 63.100 -0.223 0.000 1.055 464 P CB -0.276 31.227 31.700 -0.328 0.000 0.635 465 Y N -0.700 119.560 120.300 -0.067 0.000 2.321 465 Y HA 0.081 4.631 4.550 -0.000 0.000 0.353 465 Y C 2.028 177.875 175.900 -0.088 0.000 1.276 465 Y CA -0.338 57.720 58.100 -0.070 0.000 1.545 465 Y CB -1.285 37.136 38.460 -0.064 0.000 1.377 465 Y HN 0.126 nan 8.280 nan 0.000 0.650 466 S N -0.295 115.445 115.700 0.067 0.000 2.650 466 S HA 0.348 4.818 4.470 -0.000 0.000 0.251 466 S C 0.064 174.616 174.600 -0.079 0.000 1.325 466 S CA -0.323 57.850 58.200 -0.046 0.000 0.967 466 S CB -0.031 63.130 63.200 -0.065 0.000 1.000 466 S HN 1.529 nan 8.310 nan 0.000 0.584 467 T N -2.903 111.534 114.554 -0.195 0.000 0.544 467 T HA -0.180 4.170 4.350 -0.000 0.000 0.774 467 T C -0.421 174.174 174.700 -0.174 0.000 0.992 467 T CA -0.201 61.768 62.100 -0.217 0.000 4.075 467 T CB -2.574 66.231 68.868 -0.105 0.000 2.302 467 T HN 0.610 nan 8.240 nan 0.000 0.398 468 F N 2.775 122.721 119.950 -0.006 0.000 2.506 468 F HA 0.456 4.982 4.527 -0.000 0.000 0.351 468 F C 1.894 177.623 175.800 -0.118 0.000 1.136 468 F CA -0.688 57.274 58.000 -0.063 0.000 1.298 468 F CB 0.667 39.698 39.000 0.051 0.000 1.145 468 F HN 0.488 nan 8.300 nan 0.000 0.593 469 R N 3.612 124.119 120.500 0.012 0.000 2.439 469 R HA 0.546 4.886 4.340 -0.000 0.000 0.310 469 R C -1.190 175.008 176.300 -0.171 0.000 0.955 469 R CA -0.787 55.252 56.100 -0.103 0.000 0.853 469 R CB 1.767 32.007 30.300 -0.099 0.000 1.171 469 R HN 0.562 nan 8.270 nan 0.000 0.449 470 L N 1.969 123.123 121.223 -0.115 0.000 2.334 470 L HA 0.368 4.708 4.340 -0.000 0.000 0.273 470 L C 0.313 177.197 176.870 0.023 0.000 1.013 470 L CA -1.013 53.801 54.840 -0.043 0.000 0.816 470 L CB 1.777 43.949 42.059 0.188 0.000 1.278 470 L HN 0.551 nan 8.230 nan 0.000 0.431 471 N N 1.719 120.447 118.700 0.047 0.000 2.492 471 N HA 0.026 4.766 4.740 -0.000 0.000 0.262 471 N C 0.830 176.435 175.510 0.159 0.000 1.202 471 N CA -0.002 53.096 53.050 0.079 0.000 0.926 471 N CB 1.343 39.866 38.487 0.060 0.000 1.078 471 N HN 0.567 nan 8.380 nan 0.000 0.454 472 L N 2.752 124.077 121.223 0.170 0.000 2.127 472 L HA -0.172 4.168 4.340 -0.000 0.000 0.211 472 L C 2.348 179.326 176.870 0.180 0.000 1.089 472 L CA 1.211 56.193 54.840 0.235 0.000 0.757 472 L CB -0.188 41.989 42.059 0.198 0.000 0.899 472 L HN 0.569 nan 8.230 nan 0.000 0.434 473 S N -1.715 114.065 115.700 0.132 0.000 2.453 473 S HA -0.065 4.404 4.470 -0.000 0.000 0.231 473 S C 1.537 176.147 174.600 0.015 0.000 1.005 473 S CA 0.532 58.789 58.200 0.095 0.000 0.949 473 S CB 0.082 63.351 63.200 0.115 0.000 0.774 473 S HN 0.225 nan 8.310 nan 0.000 0.510 474 V N 1.795 121.738 119.914 0.049 0.000 3.611 474 V HA 0.005 4.125 4.120 -0.000 0.000 0.281 474 V C 1.778 178.017 176.094 0.243 0.000 1.247 474 V CA 0.991 63.356 62.300 0.109 0.000 1.198 474 V CB -0.815 31.170 31.823 0.270 0.000 0.977 474 V HN 0.454 nan 8.190 nan 0.000 0.445 475 T N -0.066 114.593 114.554 0.175 0.000 2.814 475 T HA -0.105 4.245 4.350 -0.000 0.000 0.254 475 T C 2.030 176.801 174.700 0.119 0.000 1.037 475 T CA 1.813 64.011 62.100 0.164 0.000 1.143 475 T CB 0.001 68.909 68.868 0.067 0.000 0.866 475 T HN 0.781 nan 8.240 nan 0.000 0.431 476 S N 1.307 117.045 115.700 0.063 0.000 2.446 476 S HA 0.060 4.530 4.470 -0.000 0.000 0.225 476 S C -0.609 174.021 174.600 0.051 0.000 1.016 476 S CA 0.125 58.351 58.200 0.043 0.000 0.943 476 S CB -1.291 61.924 63.200 0.025 0.000 0.786 476 S HN 0.373 nan 8.310 nan 0.000 0.508 477 P HA -0.135 nan 4.420 nan 0.000 0.217 477 P C 0.605 177.883 177.300 -0.038 0.000 1.148 477 P CA 1.360 64.418 63.100 -0.070 0.000 0.828 477 P CB -0.322 31.208 31.700 -0.283 0.000 0.783 478 Y N -1.734 118.616 120.300 0.083 0.000 2.482 478 Y HA 0.151 4.700 4.550 -0.000 0.000 0.270 478 Y C 0.801 176.713 175.900 0.020 0.000 1.152 478 Y CA -0.361 57.779 58.100 0.065 0.000 1.292 478 Y CB -0.741 37.757 38.460 0.064 0.000 1.070 478 Y HN -0.057 nan 8.280 nan 0.000 0.528 479 N N 0.885 119.666 118.700 0.135 0.000 2.666 479 N HA -0.208 4.532 4.740 -0.000 0.000 0.274 479 N C -0.948 174.576 175.510 0.023 0.000 1.043 479 N CA 0.133 53.207 53.050 0.040 0.000 0.782 479 N CB -0.499 37.983 38.487 -0.009 0.000 0.912 479 N HN 0.329 nan 8.380 nan 0.000 0.556 480 A N 1.459 124.282 122.820 0.006 0.000 2.386 480 A HA 0.637 4.957 4.320 -0.000 0.000 0.311 480 A C -0.581 176.837 177.584 -0.275 0.000 1.068 480 A CA -0.401 51.584 52.037 -0.087 0.000 0.743 480 A CB 1.264 20.242 19.000 -0.038 0.000 1.258 480 A HN 0.584 nan 8.150 nan 0.000 0.429 481 D N -0.767 119.428 120.400 -0.342 0.000 2.687 481 D HA 0.557 5.197 4.640 -0.000 0.000 0.264 481 D C -0.676 175.279 176.300 -0.574 0.000 1.091 481 D CA -0.636 53.024 54.000 -0.567 0.000 1.123 481 D CB 0.412 41.055 40.800 -0.262 0.000 1.407 481 D HN 0.273 nan 8.370 nan 0.000 0.591 482 F N -0.557 119.404 119.950 0.018 0.000 2.850 482 F HA 0.188 4.715 4.527 -0.000 0.000 0.306 482 F C 0.600 176.399 175.800 -0.001 0.000 1.162 482 F CA -0.741 57.265 58.000 0.010 0.000 1.327 482 F CB 0.352 39.358 39.000 0.010 0.000 0.953 482 F HN 0.190 nan 8.300 nan 0.000 0.507 483 D N -0.424 120.029 120.400 0.090 0.000 2.370 483 D HA 0.257 4.896 4.640 -0.000 0.000 0.230 483 D C 1.542 177.865 176.300 0.038 0.000 1.143 483 D CA 0.296 54.328 54.000 0.053 0.000 0.834 483 D CB 0.337 41.147 40.800 0.017 0.000 0.944 483 D HN 0.383 nan 8.370 nan 0.000 0.504 484 G N -0.140 108.694 108.800 0.057 0.000 2.370 484 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.174 484 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.174 484 G C -0.522 174.398 174.900 0.033 0.000 1.002 484 G CA -0.505 44.616 45.100 0.036 0.000 0.730 484 G HN 0.268 nan 8.290 nan 0.000 0.497 485 D N 1.895 122.320 120.400 0.042 0.000 2.487 485 D HA 0.324 4.963 4.640 -0.000 0.000 0.243 485 D C 0.679 177.006 176.300 0.044 0.000 1.154 485 D CA 0.760 54.776 54.000 0.027 0.000 0.876 485 D CB 0.801 41.610 40.800 0.015 0.000 1.161 485 D HN 0.537 nan 8.370 nan 0.000 0.478 486 E N 1.461 121.671 120.200 0.018 0.000 2.283 486 E HA 0.454 4.804 4.350 -0.000 0.000 0.271 486 E C 0.053 176.655 176.600 0.003 0.000 1.031 486 E CA -0.520 55.895 56.400 0.024 0.000 0.868 486 E CB 1.499 31.202 29.700 0.004 0.000 1.094 486 E HN 0.293 nan 8.360 nan 0.000 0.401 487 M N 1.689 121.317 119.600 0.047 0.000 2.591 487 M HA 0.359 4.839 4.480 -0.000 0.000 0.306 487 M C -0.972 175.286 176.300 -0.070 0.000 1.190 487 M CA -1.092 54.116 55.300 -0.154 0.000 0.889 487 M CB 1.926 34.237 32.600 -0.481 0.000 1.728 487 M HN 0.361 nan 8.290 nan 0.000 0.458 488 N N 2.422 120.959 118.700 -0.272 0.000 2.421 488 N HA 0.567 5.307 4.740 -0.000 0.000 0.285 488 N C -1.334 173.955 175.510 -0.368 0.000 1.027 488 N CA -0.446 52.473 53.050 -0.218 0.000 0.918 488 N CB 1.975 40.341 38.487 -0.202 0.000 1.152 488 N HN 0.605 nan 8.380 nan 0.000 0.485 489 L N 2.260 123.337 121.223 -0.244 0.000 2.334 489 L HA 0.476 4.815 4.340 -0.000 0.000 0.276 489 L C -0.866 175.867 176.870 -0.229 0.000 1.014 489 L CA -0.575 54.183 54.840 -0.136 0.000 0.815 489 L CB 0.995 42.869 42.059 -0.308 0.000 1.268 489 L HN 0.502 nan 8.230 nan 0.000 0.428 490 H N 4.230 123.361 119.070 0.101 0.000 2.689 490 H HA 0.325 4.881 4.556 -0.000 0.000 0.346 490 H C -1.121 174.286 175.328 0.131 0.000 1.037 490 H CA -0.678 55.445 56.048 0.125 0.000 1.234 490 H CB 2.234 32.058 29.762 0.102 0.000 1.572 490 H HN 0.347 nan 8.280 nan 0.000 0.524 491 V N 6.200 126.276 119.914 0.269 0.000 2.368 491 V HA 0.117 4.237 4.120 -0.000 0.000 0.266 491 V C -1.866 174.332 176.094 0.173 0.000 1.045 491 V CA -1.466 60.949 62.300 0.192 0.000 0.899 491 V CB 0.775 32.713 31.823 0.191 0.000 1.006 491 V HN 0.571 nan 8.190 nan 0.000 0.470 492 P HA 0.087 nan 4.420 nan 0.000 0.266 492 P C -0.173 177.229 177.300 0.171 0.000 1.195 492 P CA 0.066 63.234 63.100 0.113 0.000 0.768 492 P CB 1.369 33.109 31.700 0.066 0.000 0.838 493 Q N 1.254 121.132 119.800 0.130 0.000 2.442 493 Q HA 0.063 4.402 4.340 -0.000 0.000 0.228 493 Q C 0.729 176.757 176.000 0.047 0.000 0.902 493 Q CA 0.715 56.530 55.803 0.020 0.000 0.933 493 Q CB 0.036 28.656 28.738 -0.196 0.000 1.071 493 Q HN 0.622 nan 8.270 nan 0.000 0.562 494 S N -0.933 114.825 115.700 0.096 0.000 2.690 494 S HA 0.347 4.816 4.470 -0.000 0.000 0.291 494 S C 0.801 175.510 174.600 0.182 0.000 1.138 494 S CA -0.549 57.697 58.200 0.076 0.000 1.013 494 S CB 1.512 64.730 63.200 0.029 0.000 1.053 494 S HN 0.051 nan 8.310 nan 0.000 0.539 495 E N 0.830 121.120 120.200 0.150 0.000 2.106 495 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 495 E C 1.536 178.184 176.600 0.081 0.000 0.984 495 E CA 1.765 58.255 56.400 0.149 0.000 0.806 495 E CB -0.296 29.477 29.700 0.122 0.000 0.750 495 E HN 0.824 nan 8.360 nan 0.000 0.458 496 E N -1.015 119.220 120.200 0.058 0.000 2.072 496 E HA -0.061 4.289 4.350 -0.000 0.000 0.190 496 E C 2.095 178.715 176.600 0.033 0.000 0.982 496 E CA 1.393 57.816 56.400 0.038 0.000 0.803 496 E CB -0.635 29.081 29.700 0.027 0.000 0.755 496 E HN 0.046 nan 8.360 nan 0.000 0.453 497 T N 0.428 115.006 114.554 0.040 0.000 2.803 497 T HA -0.159 4.190 4.350 -0.000 0.000 0.269 497 T C 1.765 176.488 174.700 0.037 0.000 1.052 497 T CA 1.363 63.486 62.100 0.038 0.000 1.136 497 T CB -0.131 68.766 68.868 0.049 0.000 0.864 497 T HN 0.096 nan 8.240 nan 0.000 0.467 498 R N 0.300 120.827 120.500 0.046 0.000 2.070 498 R HA -0.007 4.333 4.340 -0.000 0.000 0.232 498 R C 2.763 179.060 176.300 -0.003 0.000 1.138 498 R CA 1.395 57.497 56.100 0.004 0.000 0.936 498 R CB -0.494 29.795 30.300 -0.019 0.000 0.839 498 R HN 0.354 nan 8.270 nan 0.000 0.429 499 A N 0.694 123.519 122.820 0.009 0.000 1.917 499 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 499 A C 1.985 179.570 177.584 0.003 0.000 1.182 499 A CA 1.812 53.852 52.037 0.005 0.000 0.633 499 A CB -0.526 18.484 19.000 0.017 0.000 0.819 499 A HN 0.468 nan 8.150 nan 0.000 0.448 500 E N -0.370 119.835 120.200 0.007 0.000 2.051 500 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 500 E C 2.001 178.595 176.600 -0.010 0.000 0.991 500 E CA 0.937 57.339 56.400 0.003 0.000 0.799 500 E CB -0.182 29.520 29.700 0.003 0.000 0.748 500 E HN 0.599 nan 8.360 nan 0.000 0.449 501 L N 0.637 121.855 121.223 -0.009 0.000 1.971 501 L HA -0.218 4.121 4.340 -0.000 0.000 0.215 501 L C 2.673 179.526 176.870 -0.029 0.000 1.072 501 L CA 1.948 56.780 54.840 -0.014 0.000 0.758 501 L CB -0.742 41.316 42.059 -0.002 0.000 0.889 501 L HN 0.307 nan 8.230 nan 0.000 0.433 502 S N -1.966 113.717 115.700 -0.028 0.000 2.522 502 S HA -0.121 4.348 4.470 -0.000 0.000 0.227 502 S C 1.698 176.277 174.600 -0.035 0.000 0.986 502 S CA 0.433 58.611 58.200 -0.036 0.000 0.929 502 S CB 0.155 63.335 63.200 -0.034 0.000 0.769 502 S HN 0.321 nan 8.310 nan 0.000 0.529 503 Q N -0.394 119.389 119.800 -0.028 0.000 2.392 503 Q HA 0.465 4.805 4.340 -0.000 0.000 0.219 503 Q C 1.208 177.185 176.000 -0.037 0.000 0.895 503 Q CA 0.406 56.194 55.803 -0.025 0.000 0.929 503 Q CB 0.156 28.888 28.738 -0.009 0.000 1.077 503 Q HN 0.443 nan 8.270 nan 0.000 0.532 504 L N -2.029 119.168 121.223 -0.044 0.000 2.614 504 L HA 0.094 4.434 4.340 -0.000 0.000 0.185 504 L C 1.674 178.498 176.870 -0.076 0.000 1.098 504 L CA 0.867 55.671 54.840 -0.060 0.000 0.852 504 L CB -0.762 41.266 42.059 -0.051 0.000 1.213 504 L HN 0.080 nan 8.230 nan 0.000 0.491 505 C N 0.427 119.684 119.300 -0.071 0.000 2.563 505 C HA 0.479 4.939 4.460 -0.000 0.000 0.268 505 C C 1.490 176.411 174.990 -0.115 0.000 1.365 505 C CA -0.895 58.070 59.018 -0.088 0.000 1.754 505 C CB -1.326 26.378 27.740 -0.061 0.000 1.932 505 C HN 0.400 nan 8.230 nan 0.000 0.536 506 A N 1.419 124.177 122.820 -0.103 0.000 2.608 506 A HA 0.174 4.494 4.320 -0.000 0.000 0.239 506 A C 1.431 178.911 177.584 -0.174 0.000 1.018 506 A CA 0.527 52.486 52.037 -0.129 0.000 0.766 506 A CB 0.209 19.156 19.000 -0.089 0.000 0.928 506 A HN 0.341 nan 8.150 nan 0.000 0.512 507 V N 4.602 124.363 119.914 -0.256 0.000 2.282 507 V HA -0.215 3.905 4.120 -0.000 0.000 0.249 507 V C -0.183 175.791 176.094 -0.200 0.000 1.057 507 V CA 2.718 64.847 62.300 -0.286 0.000 1.032 507 V CB -1.574 30.018 31.823 -0.384 0.000 0.645 507 V HN 0.822 nan 8.190 nan 0.000 0.447 508 P HA -0.152 nan 4.420 nan 0.000 0.216 508 P C 1.729 178.975 177.300 -0.089 0.000 1.153 508 P CA 1.377 64.417 63.100 -0.099 0.000 0.858 508 P CB -0.155 31.513 31.700 -0.055 0.000 0.789 509 L N -1.075 120.091 121.223 -0.095 0.000 2.642 509 L HA -0.124 4.215 4.340 -0.000 0.000 0.236 509 L C 1.690 178.491 176.870 -0.114 0.000 1.169 509 L CA 0.980 55.766 54.840 -0.090 0.000 0.851 509 L CB -0.700 41.307 42.059 -0.087 0.000 0.968 509 L HN 0.033 nan 8.230 nan 0.000 0.453 510 Q N -0.750 118.966 119.800 -0.141 0.000 2.179 510 Q HA 0.244 4.584 4.340 -0.000 0.000 0.213 510 Q C 1.862 177.767 176.000 -0.158 0.000 0.833 510 Q CA 0.131 55.834 55.803 -0.167 0.000 0.990 510 Q CB 0.822 29.433 28.738 -0.211 0.000 1.132 510 Q HN 0.556 nan 8.270 nan 0.000 0.493 511 I N -0.127 120.370 120.570 -0.122 0.000 2.110 511 I HA -0.122 4.048 4.170 -0.000 0.000 0.236 511 I C 0.825 176.878 176.117 -0.107 0.000 1.068 511 I CA 0.755 62.005 61.300 -0.083 0.000 1.333 511 I CB -0.014 37.993 38.000 0.012 0.000 1.054 511 I HN -0.158 nan 8.210 nan 0.000 0.402 512 V N 2.771 122.598 119.914 -0.145 0.000 2.415 512 V HA 0.063 4.183 4.120 -0.000 0.000 0.267 512 V C 0.386 176.377 176.094 -0.172 0.000 1.042 512 V CA -0.160 62.007 62.300 -0.223 0.000 1.000 512 V CB 0.277 31.930 31.823 -0.284 0.000 1.015 512 V HN 0.420 nan 8.190 nan 0.000 0.478 513 S N 7.266 122.882 115.700 -0.139 0.000 2.549 513 S HA 0.518 4.988 4.470 -0.000 0.000 0.297 513 S C -1.241 173.335 174.600 -0.040 0.000 1.115 513 S CA -1.582 56.553 58.200 -0.108 0.000 1.059 513 S CB 2.104 65.229 63.200 -0.126 0.000 1.046 513 S HN 0.511 nan 8.310 nan 0.000 0.506 514 P HA -0.189 nan 4.420 nan 0.000 0.221 514 P C 1.232 178.669 177.300 0.229 0.000 1.145 514 P CA 1.274 64.452 63.100 0.129 0.000 0.795 514 P CB -0.006 31.781 31.700 0.145 0.000 0.775 515 Q N 0.251 120.086 119.800 0.058 0.000 2.123 515 Q HA -0.016 4.324 4.340 -0.000 0.000 0.199 515 Q C 1.009 177.031 176.000 0.036 0.000 0.966 515 Q CA 1.663 57.452 55.803 -0.023 0.000 0.845 515 Q CB -0.399 28.301 28.738 -0.063 0.000 0.907 515 Q HN -0.015 nan 8.270 nan 0.000 0.439 516 S N 0.932 116.674 115.700 0.070 0.000 2.977 516 S HA 0.143 4.613 4.470 -0.000 0.000 0.250 516 S C -0.681 174.070 174.600 0.250 0.000 1.005 516 S CA -0.123 58.147 58.200 0.116 0.000 1.081 516 S CB 0.088 63.394 63.200 0.177 0.000 1.018 516 S HN 0.736 nan 8.310 nan 0.000 0.539 517 N N 2.002 120.814 118.700 0.187 0.000 2.654 517 N HA -0.313 4.426 4.740 -0.000 0.000 0.248 517 N C -0.236 175.345 175.510 0.117 0.000 1.116 517 N CA 1.702 54.856 53.050 0.174 0.000 0.730 517 N CB -1.544 37.096 38.487 0.256 0.000 1.040 517 N HN 0.715 nan 8.380 nan 0.000 0.548 518 K N -3.145 117.270 120.400 0.025 0.000 2.378 518 K HA 0.656 4.976 4.320 -0.000 0.000 0.244 518 K C -3.118 173.355 176.600 -0.213 0.000 1.039 518 K CA -2.403 53.818 56.287 -0.110 0.000 0.863 518 K CB 1.661 34.181 32.500 0.033 0.000 1.326 518 K HN -0.181 nan 8.250 nan 0.000 0.460 519 P HA -0.039 nan 4.420 nan 0.000 0.267 519 P C 0.534 177.802 177.300 -0.053 0.000 1.200 519 P CA -0.357 62.660 63.100 -0.138 0.000 0.772 519 P CB 0.413 32.072 31.700 -0.069 0.000 0.855 520 C N 0.549 119.825 119.300 -0.040 0.000 3.559 520 C HA 0.439 4.899 4.460 -0.000 0.000 0.314 520 C C 0.603 175.592 174.990 -0.001 0.000 1.419 520 C CA -0.342 58.665 59.018 -0.019 0.000 1.775 520 C CB -0.844 26.865 27.740 -0.051 0.000 2.430 520 C HN 0.362 nan 8.230 nan 0.000 0.686 521 M N 2.126 121.737 119.600 0.018 0.000 2.243 521 M HA 0.617 5.097 4.480 -0.000 0.000 0.324 521 M C 0.225 176.665 176.300 0.234 0.000 1.031 521 M CA 0.234 55.569 55.300 0.057 0.000 0.949 521 M CB 1.784 34.328 32.600 -0.093 0.000 1.615 521 M HN 0.425 nan 8.290 nan 0.000 0.430 522 G N 2.318 111.257 108.800 0.232 0.000 3.013 522 G HA2 0.796 4.756 3.960 -0.000 0.000 0.278 522 G HA3 0.796 4.756 3.960 -0.000 0.000 0.278 522 G C -1.016 174.060 174.900 0.293 0.000 1.353 522 G CA -0.830 44.411 45.100 0.236 0.000 1.043 522 G HN 0.626 nan 8.290 nan 0.000 0.523 523 I N 0.113 120.754 120.570 0.119 0.000 2.474 523 I HA 0.398 4.568 4.170 -0.000 0.000 0.287 523 I C -0.107 176.049 176.117 0.065 0.000 1.048 523 I CA 0.084 61.438 61.300 0.089 0.000 1.383 523 I CB 1.485 39.474 38.000 -0.018 0.000 1.412 523 I HN 0.110 nan 8.210 nan 0.000 0.531 524 V N 4.717 124.674 119.914 0.073 0.000 3.159 524 V HA 0.464 4.584 4.120 -0.000 0.000 0.308 524 V C 0.130 176.249 176.094 0.043 0.000 1.190 524 V CA -0.759 61.573 62.300 0.054 0.000 1.037 524 V CB 1.507 33.371 31.823 0.069 0.000 1.060 524 V HN 0.878 nan 8.190 nan 0.000 0.437 525 Q N 0.187 120.005 119.800 0.030 0.000 1.918 525 Q HA -0.333 4.007 4.340 -0.000 0.000 0.390 525 Q C 1.166 177.173 176.000 0.012 0.000 0.761 525 Q CA 2.280 58.103 55.803 0.033 0.000 0.885 525 Q CB -1.163 27.613 28.738 0.062 0.000 3.219 525 Q HN 1.032 nan 8.270 nan 0.000 0.778 526 D N 0.051 120.470 120.400 0.033 0.000 2.108 526 D HA -0.115 4.525 4.640 -0.000 0.000 0.190 526 D C 1.937 178.234 176.300 -0.005 0.000 0.995 526 D CA 2.553 56.564 54.000 0.019 0.000 0.834 526 D CB -0.645 40.178 40.800 0.039 0.000 0.967 526 D HN 0.583 nan 8.370 nan 0.000 0.446 527 T N 0.764 115.326 114.554 0.013 0.000 2.778 527 T HA -0.183 4.166 4.350 -0.000 0.000 0.269 527 T C 1.843 176.526 174.700 -0.028 0.000 1.050 527 T CA 0.729 62.832 62.100 0.004 0.000 1.137 527 T CB -0.288 68.594 68.868 0.024 0.000 0.860 527 T HN 0.021 nan 8.240 nan 0.000 0.468 528 L N 0.643 121.846 121.223 -0.034 0.000 1.993 528 L HA 0.096 4.436 4.340 -0.000 0.000 0.206 528 L C 2.771 179.578 176.870 -0.104 0.000 1.074 528 L CA 1.353 56.156 54.840 -0.061 0.000 0.746 528 L CB -1.260 40.773 42.059 -0.043 0.000 0.896 528 L HN 0.363 nan 8.230 nan 0.000 0.435 529 C N 0.150 119.366 119.300 -0.140 0.000 2.375 529 C HA -0.214 4.245 4.460 -0.000 0.000 0.274 529 C C 2.838 177.701 174.990 -0.213 0.000 1.190 529 C CA 1.266 60.127 59.018 -0.263 0.000 1.775 529 C CB -1.645 25.831 27.740 -0.440 0.000 2.067 529 C HN 0.760 nan 8.230 nan 0.000 0.463 530 G N -0.432 108.305 108.800 -0.104 0.000 2.421 530 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 530 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 530 G C 1.589 176.414 174.900 -0.125 0.000 1.171 530 G CA 0.978 46.094 45.100 0.027 0.000 0.775 530 G HN 0.636 nan 8.290 nan 0.000 0.543 531 I N 0.140 120.623 120.570 -0.145 0.000 2.226 531 I HA -0.138 4.031 4.170 -0.000 0.000 0.245 531 I C 2.837 178.810 176.117 -0.240 0.000 1.100 531 I CA 1.462 62.636 61.300 -0.209 0.000 1.374 531 I CB -0.134 37.777 38.000 -0.149 0.000 1.057 531 I HN 0.175 nan 8.210 nan 0.000 0.413 532 R N 1.072 121.463 120.500 -0.182 0.000 2.097 532 R HA -0.256 4.084 4.340 -0.000 0.000 0.236 532 R C 2.310 178.494 176.300 -0.193 0.000 1.135 532 R CA 2.051 58.055 56.100 -0.161 0.000 0.934 532 R CB -0.309 29.918 30.300 -0.122 0.000 0.846 532 R HN 0.301 nan 8.270 nan 0.000 0.431 533 K N 0.401 120.690 120.400 -0.185 0.000 1.987 533 K HA -0.214 4.106 4.320 -0.000 0.000 0.216 533 K C 2.189 178.523 176.600 -0.443 0.000 1.051 533 K CA 1.831 58.029 56.287 -0.148 0.000 0.942 533 K CB -0.553 32.023 32.500 0.126 0.000 0.722 533 K HN 0.192 nan 8.250 nan 0.000 0.444 534 L N 1.228 121.844 121.223 -1.012 0.000 2.197 534 L HA -0.208 4.132 4.340 -0.000 0.000 0.215 534 L C 1.982 178.483 176.870 -0.615 0.000 1.095 534 L CA 1.871 55.919 54.840 -1.321 0.000 0.764 534 L CB -0.460 40.770 42.059 -1.382 0.000 0.897 534 L HN 0.114 nan 8.230 nan 0.000 0.436 535 T N -0.424 113.888 114.554 -0.403 0.000 3.054 535 T HA 0.196 4.546 4.350 -0.000 0.000 0.259 535 T C 0.873 175.452 174.700 -0.202 0.000 1.092 535 T CA -0.255 61.686 62.100 -0.264 0.000 1.121 535 T CB -0.205 68.541 68.868 -0.204 0.000 0.912 535 T HN 0.165 nan 8.240 nan 0.000 0.489 536 L N 1.688 122.805 121.223 -0.177 0.000 2.516 536 L HA 0.073 4.413 4.340 -0.000 0.000 0.288 536 L C 1.921 178.693 176.870 -0.164 0.000 1.246 536 L CA -0.091 54.680 54.840 -0.115 0.000 0.844 536 L CB 0.377 42.400 42.059 -0.060 0.000 1.106 536 L HN 0.091 nan 8.230 nan 0.000 0.509 537 R N 0.827 121.256 120.500 -0.118 0.000 2.091 537 R HA -0.153 4.187 4.340 -0.000 0.000 0.238 537 R C 1.149 177.288 176.300 -0.268 0.000 1.136 537 R CA 1.522 57.522 56.100 -0.166 0.000 0.959 537 R CB -0.307 29.979 30.300 -0.023 0.000 0.856 537 R HN 0.675 nan 8.270 nan 0.000 0.437 538 D N 0.474 120.853 120.400 -0.034 0.000 2.411 538 D HA -0.053 4.587 4.640 -0.000 0.000 0.226 538 D C -0.062 176.286 176.300 0.080 0.000 0.988 538 D CA 0.967 55.050 54.000 0.139 0.000 0.938 538 D CB -0.024 40.864 40.800 0.145 0.000 0.883 538 D HN 0.125 nan 8.370 nan 0.000 0.525 539 T N 0.701 115.130 114.554 -0.208 0.000 2.733 539 T HA 0.417 4.767 4.350 -0.000 0.000 0.294 539 T C -0.168 174.325 174.700 -0.344 0.000 0.956 539 T CA -0.346 61.694 62.100 -0.100 0.000 0.987 539 T CB 0.482 69.292 68.868 -0.097 0.000 0.920 539 T HN -0.184 nan 8.240 nan 0.000 0.470 540 F N 2.261 122.317 119.950 0.176 0.000 2.576 540 F HA 0.670 5.197 4.527 -0.000 0.000 0.313 540 F C -0.477 175.466 175.800 0.238 0.000 1.078 540 F CA -1.267 56.846 58.000 0.188 0.000 0.921 540 F CB 1.588 40.681 39.000 0.154 0.000 1.232 540 F HN 0.285 nan 8.300 nan 0.000 0.459 541 I N 1.612 122.464 120.570 0.469 0.000 2.418 541 I HA 0.233 4.402 4.170 -0.000 0.000 0.287 541 I C -0.398 175.928 176.117 0.348 0.000 1.008 541 I CA -0.714 60.799 61.300 0.355 0.000 1.104 541 I CB 1.690 39.849 38.000 0.266 0.000 1.264 541 I HN 0.491 nan 8.210 nan 0.000 0.438 542 E N 4.657 125.001 120.200 0.240 0.000 2.392 542 E HA 0.021 4.371 4.350 -0.000 0.000 0.264 542 E C 1.182 177.832 176.600 0.083 0.000 1.024 542 E CA -0.235 56.287 56.400 0.204 0.000 0.903 542 E CB 1.002 30.780 29.700 0.130 0.000 0.963 542 E HN 0.606 nan 8.360 nan 0.000 0.432 543 L N 4.250 125.548 121.223 0.125 0.000 2.085 543 L HA -0.318 4.022 4.340 -0.000 0.000 0.218 543 L C 1.919 178.681 176.870 -0.181 0.000 1.080 543 L CA 2.619 57.367 54.840 -0.154 0.000 0.776 543 L CB -0.605 41.538 42.059 0.140 0.000 0.891 543 L HN 0.775 nan 8.230 nan 0.000 0.437 544 D N -0.938 119.429 120.400 -0.054 0.000 2.149 544 D HA -0.328 4.312 4.640 -0.000 0.000 0.198 544 D C 1.980 178.238 176.300 -0.070 0.000 0.990 544 D CA 2.007 55.977 54.000 -0.050 0.000 0.839 544 D CB -0.207 40.586 40.800 -0.011 0.000 0.948 544 D HN 0.771 nan 8.370 nan 0.000 0.460 545 Q N -0.079 119.688 119.800 -0.054 0.000 2.396 545 Q HA 0.049 4.388 4.340 -0.000 0.000 0.209 545 Q C 2.214 178.163 176.000 -0.085 0.000 0.906 545 Q CA -0.005 55.796 55.803 -0.003 0.000 0.927 545 Q CB 0.571 29.358 28.738 0.082 0.000 1.069 545 Q HN 0.114 nan 8.270 nan 0.000 0.523 546 V N 1.018 120.783 119.914 -0.248 0.000 2.307 546 V HA -0.268 3.852 4.120 -0.000 0.000 0.245 546 V C 2.207 178.054 176.094 -0.413 0.000 1.045 546 V CA 1.430 63.469 62.300 -0.435 0.000 1.024 546 V CB -0.504 30.714 31.823 -1.009 0.000 0.651 546 V HN 0.423 nan 8.190 nan 0.000 0.449 547 L N 0.218 121.222 121.223 -0.365 0.000 2.079 547 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 547 L C 2.491 179.151 176.870 -0.349 0.000 1.081 547 L CA 1.458 56.097 54.840 -0.335 0.000 0.752 547 L CB -0.835 41.090 42.059 -0.223 0.000 0.896 547 L HN 0.426 nan 8.230 nan 0.000 0.433 548 N N 0.197 118.724 118.700 -0.287 0.000 2.051 548 N HA -0.155 4.585 4.740 -0.000 0.000 0.192 548 N C 1.920 177.180 175.510 -0.416 0.000 1.049 548 N CA 1.308 54.161 53.050 -0.327 0.000 0.845 548 N CB -0.350 37.931 38.487 -0.343 0.000 1.031 548 N HN 0.199 nan 8.380 nan 0.000 0.425 549 M N 0.875 120.182 119.600 -0.489 0.000 2.147 549 M HA -0.247 4.233 4.480 -0.000 0.000 0.253 549 M C 2.089 178.200 176.300 -0.314 0.000 1.075 549 M CA 1.597 56.700 55.300 -0.328 0.000 1.085 549 M CB -0.452 32.082 32.600 -0.110 0.000 1.305 549 M HN 0.136 nan 8.290 nan 0.000 0.409 550 L N -1.761 119.164 121.223 -0.496 0.000 1.990 550 L HA -0.288 4.052 4.340 -0.000 0.000 0.213 550 L C 2.522 178.776 176.870 -1.027 0.000 1.072 550 L CA 1.761 56.034 54.840 -0.945 0.000 0.755 550 L CB -0.947 40.356 42.059 -1.260 0.000 0.889 550 L HN 0.342 nan 8.230 nan 0.000 0.432 551 Y N -1.048 118.722 120.300 -0.884 0.000 2.352 551 Y HA -0.229 4.320 4.550 -0.000 0.000 0.292 551 Y C 2.103 177.790 175.900 -0.355 0.000 1.136 551 Y CA 0.694 58.438 58.100 -0.594 0.000 1.227 551 Y CB -0.419 37.765 38.460 -0.461 0.000 0.991 551 Y HN 0.086 nan 8.280 nan 0.000 0.545 552 W N 0.234 121.273 121.300 -0.435 0.000 2.355 552 W HA -0.108 4.552 4.660 -0.000 0.000 0.309 552 W C 0.720 177.082 176.519 -0.263 0.000 1.206 552 W CA 1.479 58.606 57.345 -0.363 0.000 1.284 552 W CB -0.548 28.715 29.460 -0.328 0.000 1.145 552 W HN -0.368 nan 8.180 nan 0.000 0.502 553 V N 3.179 123.113 119.914 0.032 0.000 2.441 553 V HA -0.115 4.005 4.120 -0.000 0.000 0.279 553 V C -1.466 174.661 176.094 0.056 0.000 0.990 553 V CA -0.304 62.028 62.300 0.053 0.000 1.116 553 V CB -0.204 31.651 31.823 0.053 0.000 0.977 553 V HN -0.027 nan 8.190 nan 0.000 0.470 554 P HA -0.047 nan 4.420 nan 0.000 0.223 554 P C 0.770 178.125 177.300 0.092 0.000 1.151 554 P CA 0.882 63.990 63.100 0.014 0.000 0.787 554 P CB 0.194 31.896 31.700 0.003 0.000 0.788 555 D N -2.546 117.925 120.400 0.118 0.000 2.340 555 D HA -0.022 4.618 4.640 -0.000 0.000 0.220 555 D C 0.283 176.686 176.300 0.171 0.000 1.039 555 D CA -0.065 54.003 54.000 0.113 0.000 0.866 555 D CB -0.414 40.438 40.800 0.086 0.000 0.913 555 D HN 0.187 nan 8.370 nan 0.000 0.523 556 W N 3.317 124.619 121.300 0.003 0.000 2.193 556 W HA -0.014 4.646 4.660 -0.000 0.000 0.338 556 W C 1.086 177.619 176.519 0.022 0.000 1.310 556 W CA -0.251 57.105 57.345 0.017 0.000 1.243 556 W CB 0.737 30.210 29.460 0.023 0.000 1.165 556 W HN -0.051 nan 8.180 nan 0.000 0.566 557 D N 2.583 122.714 120.400 -0.449 0.000 2.349 557 D HA 0.133 4.772 4.640 -0.000 0.000 0.214 557 D C 1.524 177.380 176.300 -0.741 0.000 1.063 557 D CA 0.601 54.341 54.000 -0.432 0.000 0.847 557 D CB 0.104 40.738 40.800 -0.277 0.000 0.933 557 D HN 0.741 nan 8.370 nan 0.000 0.513 558 G N 0.571 108.352 108.800 -1.700 0.000 2.241 558 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.244 558 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.244 558 G C 0.315 174.565 174.900 -1.082 0.000 0.998 558 G CA 0.120 44.184 45.100 -1.727 0.000 0.621 558 G HN 0.346 nan 8.290 nan 0.000 0.519 559 V N 2.509 121.988 119.914 -0.723 0.000 2.450 559 V HA 0.276 4.396 4.120 -0.000 0.000 0.281 559 V C 1.204 177.307 176.094 0.016 0.000 1.019 559 V CA 0.127 62.278 62.300 -0.249 0.000 1.062 559 V CB 0.849 32.585 31.823 -0.144 0.000 0.979 559 V HN 0.340 nan 8.190 nan 0.000 0.477 560 I N 9.560 130.273 120.570 0.239 0.000 2.505 560 I HA 0.164 4.334 4.170 -0.000 0.000 0.287 560 I C -1.543 174.811 176.117 0.395 0.000 1.104 560 I CA -1.401 60.169 61.300 0.449 0.000 1.387 560 I CB 0.774 39.009 38.000 0.391 0.000 1.404 560 I HN 0.480 nan 8.210 nan 0.000 0.528 561 P HA -0.006 nan 4.420 nan 0.000 0.265 561 P C -0.457 177.088 177.300 0.409 0.000 1.193 561 P CA -0.123 63.217 63.100 0.401 0.000 0.765 561 P CB 0.156 32.124 31.700 0.447 0.000 0.823 562 T N 5.946 120.599 114.554 0.165 0.000 2.799 562 T HA 0.194 4.544 4.350 -0.000 0.000 0.296 562 T C -1.847 172.727 174.700 -0.210 0.000 0.947 562 T CA -0.864 61.241 62.100 0.008 0.000 1.141 562 T CB -0.468 68.397 68.868 -0.005 0.000 0.891 562 T HN 0.392 nan 8.240 nan 0.000 0.533 563 P HA 0.118 nan 4.420 nan 0.000 0.267 563 P C 0.337 177.353 177.300 -0.473 0.000 1.200 563 P CA -0.251 62.166 63.100 -1.138 0.000 0.772 563 P CB 0.606 31.323 31.700 -1.639 0.000 0.855 564 A N 3.185 125.830 122.820 -0.291 0.000 2.206 564 A HA 0.094 4.413 4.320 -0.000 0.000 0.211 564 A C 1.049 178.592 177.584 -0.069 0.000 1.158 564 A CA 0.730 52.712 52.037 -0.093 0.000 0.761 564 A CB -0.594 18.418 19.000 0.020 0.000 0.801 564 A HN 0.552 nan 8.150 nan 0.000 0.473 565 I N -0.546 119.939 120.570 -0.142 0.000 2.512 565 I HA 0.315 4.484 4.170 -0.000 0.000 0.287 565 I C -0.055 175.950 176.117 -0.185 0.000 1.069 565 I CA -0.269 60.963 61.300 -0.114 0.000 1.056 565 I CB 2.115 40.071 38.000 -0.073 0.000 1.229 565 I HN 0.106 nan 8.210 nan 0.000 0.429 566 I N 5.147 125.633 120.570 -0.140 0.000 4.323 566 I HA 0.064 4.234 4.170 -0.000 0.000 0.328 566 I C 1.561 177.631 176.117 -0.077 0.000 1.310 566 I CA -0.175 61.046 61.300 -0.132 0.000 1.186 566 I CB -0.109 37.822 38.000 -0.115 0.000 1.130 566 I HN 0.496 nan 8.210 nan 0.000 0.411 567 K N 2.940 123.300 120.400 -0.066 0.000 2.464 567 K HA -0.062 4.258 4.320 -0.000 0.000 0.216 567 K C -0.894 175.684 176.600 -0.037 0.000 0.730 567 K CA 0.506 56.765 56.287 -0.047 0.000 0.899 567 K CB -2.267 30.204 32.500 -0.048 0.000 0.541 567 K HN -0.068 nan 8.250 nan 0.000 0.956 568 P HA -0.181 nan 4.420 nan 0.000 0.216 568 P C -0.174 177.118 177.300 -0.013 0.000 1.150 568 P CA 1.616 64.702 63.100 -0.023 0.000 0.843 568 P CB 0.159 31.842 31.700 -0.029 0.000 0.787 569 K N -0.004 120.385 120.400 -0.019 0.000 2.507 569 K HA 0.346 4.666 4.320 -0.000 0.000 0.251 569 K C -2.797 173.806 176.600 0.005 0.000 0.943 569 K CA -2.680 53.613 56.287 0.010 0.000 0.794 569 K CB 2.219 34.730 32.500 0.018 0.000 1.188 569 K HN -0.207 nan 8.250 nan 0.000 0.428 570 P HA 0.008 nan 4.420 nan 0.000 0.260 570 P C -1.168 176.190 177.300 0.097 0.000 1.207 570 P CA -0.126 62.958 63.100 -0.027 0.000 0.780 570 P CB 0.374 32.130 31.700 0.094 0.000 0.789 571 L N 5.374 126.543 121.223 -0.090 0.000 2.504 571 L HA 0.403 4.743 4.340 -0.000 0.000 0.265 571 L C -0.602 176.416 176.870 0.248 0.000 0.975 571 L CA -0.366 54.610 54.840 0.227 0.000 0.864 571 L CB 0.934 43.060 42.059 0.112 0.000 1.212 571 L HN 0.359 nan 8.230 nan 0.000 0.416 572 W N 2.381 123.799 121.300 0.197 0.000 2.202 572 W HA 0.304 4.963 4.660 -0.000 0.000 0.332 572 W C 0.929 177.573 176.519 0.208 0.000 1.263 572 W CA -0.573 56.880 57.345 0.181 0.000 1.223 572 W CB 1.676 31.211 29.460 0.125 0.000 1.128 572 W HN 0.475 nan 8.180 nan 0.000 0.573 573 S N 1.332 117.214 115.700 0.303 0.000 2.579 573 S HA 0.168 4.638 4.470 -0.000 0.000 0.275 573 S C 1.302 175.911 174.600 0.016 0.000 1.345 573 S CA 0.414 58.630 58.200 0.028 0.000 1.031 573 S CB 1.221 64.411 63.200 -0.017 0.000 0.892 573 S HN 0.604 nan 8.310 nan 0.000 0.529 574 G N 3.216 111.922 108.800 -0.158 0.000 2.440 574 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.218 574 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.218 574 G C 1.380 176.189 174.900 -0.152 0.000 1.154 574 G CA 0.834 45.826 45.100 -0.180 0.000 0.767 574 G HN 0.809 nan 8.290 nan 0.000 0.552 575 K N -0.032 120.286 120.400 -0.136 0.000 2.032 575 K HA -0.135 4.185 4.320 -0.000 0.000 0.209 575 K C 2.717 179.304 176.600 -0.022 0.000 1.048 575 K CA 1.492 57.726 56.287 -0.089 0.000 0.927 575 K CB -0.232 32.223 32.500 -0.074 0.000 0.712 575 K HN 0.335 nan 8.250 nan 0.000 0.441 576 Q N 0.378 120.200 119.800 0.037 0.000 2.112 576 Q HA -0.212 4.128 4.340 -0.000 0.000 0.206 576 Q C 2.167 178.238 176.000 0.118 0.000 0.987 576 Q CA 2.047 57.918 55.803 0.112 0.000 0.858 576 Q CB -0.319 28.550 28.738 0.219 0.000 0.905 576 Q HN 0.483 nan 8.270 nan 0.000 0.420 577 I N -1.929 118.696 120.570 0.091 0.000 2.406 577 I HA -0.144 4.026 4.170 -0.000 0.000 0.249 577 I C 2.170 178.293 176.117 0.009 0.000 1.122 577 I CA 0.334 61.666 61.300 0.052 0.000 1.431 577 I CB -0.412 37.594 38.000 0.010 0.000 1.087 577 I HN 0.078 nan 8.210 nan 0.000 0.424 578 L N 1.587 122.789 121.223 -0.035 0.000 2.043 578 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 578 L C 2.422 179.276 176.870 -0.026 0.000 1.075 578 L CA 1.863 56.669 54.840 -0.058 0.000 0.752 578 L CB -0.859 41.134 42.059 -0.110 0.000 0.891 578 L HN 0.227 nan 8.230 nan 0.000 0.432 579 S N -1.297 114.398 115.700 -0.007 0.000 2.571 579 S HA -0.083 4.387 4.470 -0.000 0.000 0.245 579 S C 1.632 176.259 174.600 0.044 0.000 0.976 579 S CA 0.985 59.190 58.200 0.010 0.000 0.954 579 S CB -0.381 62.833 63.200 0.023 0.000 0.756 579 S HN 0.400 nan 8.310 nan 0.000 0.535 580 V N 0.256 120.211 119.914 0.068 0.000 3.590 580 V HA 0.210 4.329 4.120 -0.000 0.000 0.265 580 V C 2.283 178.434 176.094 0.095 0.000 1.239 580 V CA 0.740 63.112 62.300 0.122 0.000 1.117 580 V CB -0.778 31.172 31.823 0.212 0.000 0.818 580 V HN 0.469 nan 8.190 nan 0.000 0.451 581 A N 0.665 123.511 122.820 0.043 0.000 1.898 581 A HA 0.064 4.384 4.320 -0.000 0.000 0.216 581 A C 1.175 178.763 177.584 0.007 0.000 1.181 581 A CA 0.776 52.826 52.037 0.022 0.000 0.620 581 A CB -0.415 18.578 19.000 -0.012 0.000 0.819 581 A HN 0.483 nan 8.150 nan 0.000 0.442 582 I N 2.144 122.707 120.570 -0.012 0.000 2.683 582 I HA 0.085 4.255 4.170 -0.000 0.000 0.286 582 I C -1.841 174.272 176.117 -0.008 0.000 1.175 582 I CA -1.398 59.885 61.300 -0.028 0.000 1.429 582 I CB 0.687 38.661 38.000 -0.044 0.000 1.371 582 I HN 0.240 nan 8.210 nan 0.000 0.569 583 P HA 0.223 nan 4.420 nan 0.000 0.281 583 P C -1.138 176.142 177.300 -0.034 0.000 1.281 583 P CA -0.692 62.401 63.100 -0.012 0.000 0.811 583 P CB 0.584 32.277 31.700 -0.012 0.000 1.154 584 N N -0.793 117.890 118.700 -0.028 0.000 2.326 584 N HA 0.251 4.991 4.740 -0.000 0.000 0.239 584 N C 1.461 176.915 175.510 -0.093 0.000 1.301 584 N CA 0.901 53.925 53.050 -0.043 0.000 0.909 584 N CB -0.690 37.786 38.487 -0.018 0.000 1.156 584 N HN 0.814 nan 8.380 nan 0.000 0.462 585 G N -0.988 107.730 108.800 -0.137 0.000 2.184 585 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.264 585 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.264 585 G C -0.170 174.397 174.900 -0.554 0.000 0.975 585 G CA -0.140 44.818 45.100 -0.236 0.000 0.642 585 G HN 0.460 nan 8.290 nan 0.000 0.536 586 I N 2.504 122.797 120.570 -0.462 0.000 2.331 586 I HA 0.438 4.608 4.170 -0.000 0.000 0.292 586 I C 0.274 176.085 176.117 -0.509 0.000 0.998 586 I CA -0.560 60.484 61.300 -0.427 0.000 1.267 586 I CB 0.667 38.552 38.000 -0.191 0.000 1.386 586 I HN 0.144 nan 8.210 nan 0.000 0.476 587 H N 6.279 125.333 119.070 -0.027 0.000 2.797 587 H HA 0.694 5.250 4.556 -0.000 0.000 0.372 587 H C -1.149 174.142 175.328 -0.062 0.000 1.168 587 H CA -1.047 54.975 56.048 -0.043 0.000 1.163 587 H CB 3.127 32.874 29.762 -0.024 0.000 1.778 587 H HN 0.315 nan 8.280 nan 0.000 0.551 588 L N 1.693 122.930 121.223 0.024 0.000 2.614 588 L HA 0.223 4.562 4.340 -0.000 0.000 0.264 588 L C -1.298 175.494 176.870 -0.130 0.000 0.940 588 L CA -0.280 54.526 54.840 -0.057 0.000 0.903 588 L CB 1.989 43.988 42.059 -0.100 0.000 1.306 588 L HN 0.644 nan 8.230 nan 0.000 0.410 589 Q N 5.026 124.760 119.800 -0.111 0.000 2.331 589 Q HA 0.694 5.034 4.340 -0.000 0.000 0.267 589 Q C -0.890 174.991 176.000 -0.198 0.000 1.006 589 Q CA -0.681 55.002 55.803 -0.200 0.000 0.818 589 Q CB 2.919 31.628 28.738 -0.049 0.000 1.276 589 Q HN 0.687 nan 8.270 nan 0.000 0.450 590 R N 1.122 121.402 120.500 -0.368 0.000 2.740 590 R HA 0.665 5.005 4.340 -0.000 0.000 0.273 590 R C -1.682 174.355 176.300 -0.437 0.000 0.998 590 R CA -0.618 55.336 56.100 -0.243 0.000 0.900 590 R CB 1.350 31.572 30.300 -0.130 0.000 1.223 590 R HN 0.318 nan 8.270 nan 0.000 0.466 591 F N 1.229 121.185 119.950 0.010 0.000 2.507 591 F HA 0.398 4.924 4.527 -0.000 0.000 0.325 591 F C 0.162 175.975 175.800 0.020 0.000 1.116 591 F CA -0.540 57.484 58.000 0.040 0.000 0.930 591 F CB 2.078 41.105 39.000 0.045 0.000 1.146 591 F HN 0.457 nan 8.300 nan 0.000 0.447 592 D N 1.711 122.219 120.400 0.181 0.000 2.511 592 D HA 0.130 4.769 4.640 -0.000 0.000 0.276 592 D C 1.011 177.378 176.300 0.113 0.000 1.220 592 D CA -0.232 53.833 54.000 0.108 0.000 1.077 592 D CB 0.656 41.496 40.800 0.067 0.000 1.126 592 D HN 0.601 nan 8.370 nan 0.000 0.583 593 E N 0.050 120.288 120.200 0.063 0.000 2.136 593 E HA -0.180 4.170 4.350 -0.000 0.000 0.208 593 E C 1.191 177.822 176.600 0.051 0.000 1.035 593 E CA 1.674 58.100 56.400 0.043 0.000 0.838 593 E CB -0.075 29.639 29.700 0.023 0.000 0.748 593 E HN 0.520 nan 8.360 nan 0.000 0.459 594 G N 0.145 108.984 108.800 0.065 0.000 4.543 594 G HA2 0.133 4.093 3.960 -0.000 0.000 0.286 594 G HA3 0.133 4.093 3.960 -0.000 0.000 0.286 594 G C -0.432 174.524 174.900 0.094 0.000 1.112 594 G CA -0.400 44.736 45.100 0.061 0.000 0.870 594 G HN -0.026 nan 8.290 nan 0.000 0.540 595 T N 1.247 115.903 114.554 0.171 0.000 2.913 595 T HA 0.546 4.895 4.350 -0.000 0.000 0.297 595 T C 0.489 175.355 174.700 0.276 0.000 1.029 595 T CA 0.155 62.410 62.100 0.259 0.000 1.104 595 T CB 1.807 70.924 68.868 0.415 0.000 0.964 595 T HN 0.156 nan 8.240 nan 0.000 0.532 596 T N 1.189 115.860 114.554 0.196 0.000 2.633 596 T HA 0.403 4.753 4.350 -0.000 0.000 0.262 596 T C 0.881 175.685 174.700 0.174 0.000 0.920 596 T CA -0.864 61.327 62.100 0.152 0.000 1.062 596 T CB 0.438 69.315 68.868 0.015 0.000 1.390 596 T HN 0.311 nan 8.240 nan 0.000 0.549 597 L N 0.031 121.295 121.223 0.069 0.000 2.592 597 L HA 0.411 4.750 4.340 -0.000 0.000 0.227 597 L C 1.440 178.130 176.870 -0.300 0.000 1.127 597 L CA 0.703 55.526 54.840 -0.028 0.000 0.884 597 L CB -0.476 41.635 42.059 0.087 0.000 1.065 597 L HN 0.350 nan 8.230 nan 0.000 0.457 598 L N -0.483 120.582 121.223 -0.263 0.000 2.858 598 L HA 0.204 4.543 4.340 -0.000 0.000 0.251 598 L C 0.674 177.356 176.870 -0.313 0.000 1.149 598 L CA -0.149 54.523 54.840 -0.281 0.000 0.955 598 L CB 0.201 42.178 42.059 -0.137 0.000 1.289 598 L HN 0.385 nan 8.230 nan 0.000 0.542 599 S N 0.739 116.241 115.700 -0.330 0.000 4.062 599 S HA -0.135 4.335 4.470 -0.000 0.000 0.169 599 S C -1.248 173.285 174.600 -0.111 0.000 0.452 599 S CA -0.220 57.869 58.200 -0.186 0.000 1.350 599 S CB -1.028 62.036 63.200 -0.227 0.000 1.747 599 S HN 0.256 nan 8.310 nan 0.000 0.311 600 P HA -0.183 nan 4.420 nan 0.000 0.212 600 P C 0.925 178.218 177.300 -0.012 0.000 1.178 600 P CA 1.523 64.603 63.100 -0.033 0.000 0.915 600 P CB -0.100 31.592 31.700 -0.014 0.000 0.788 601 K N 0.085 120.490 120.400 0.007 0.000 2.687 601 K HA -0.083 4.237 4.320 -0.000 0.000 0.197 601 K C 0.286 176.903 176.600 0.028 0.000 1.018 601 K CA 0.495 56.794 56.287 0.019 0.000 1.035 601 K CB -1.114 31.402 32.500 0.026 0.000 0.834 601 K HN 0.075 nan 8.250 nan 0.000 0.496 602 D N 1.465 121.880 120.400 0.026 0.000 2.702 602 D HA -0.189 4.450 4.640 -0.000 0.000 0.233 602 D C -0.513 175.847 176.300 0.100 0.000 1.164 602 D CA 0.510 54.547 54.000 0.061 0.000 0.638 602 D CB -1.099 39.726 40.800 0.041 0.000 1.041 602 D HN 0.242 nan 8.370 nan 0.000 0.422 603 N N -0.295 118.472 118.700 0.111 0.000 2.379 603 N HA 0.583 5.323 4.740 -0.000 0.000 0.260 603 N C 1.256 176.869 175.510 0.172 0.000 1.254 603 N CA 0.982 54.098 53.050 0.110 0.000 0.958 603 N CB 0.624 39.169 38.487 0.097 0.000 1.208 603 N HN 0.493 nan 8.380 nan 0.000 0.532 604 G N 0.136 108.982 108.800 0.077 0.000 2.564 604 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.273 604 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.273 604 G C -0.572 174.220 174.900 -0.179 0.000 1.242 604 G CA 0.751 45.836 45.100 -0.025 0.000 0.951 604 G HN 0.773 nan 8.290 nan 0.000 0.564 605 M N -1.421 117.892 119.600 -0.479 0.000 2.342 605 M HA 0.662 5.141 4.480 -0.000 0.000 0.260 605 M C -2.034 173.745 176.300 -0.867 0.000 1.023 605 M CA -0.506 54.428 55.300 -0.609 0.000 0.919 605 M CB 1.568 33.964 32.600 -0.340 0.000 2.048 605 M HN 1.565 nan 8.290 nan 0.000 0.479 606 L N 6.371 126.967 121.223 -1.046 0.000 2.439 606 L HA 0.843 5.182 4.340 -0.000 0.000 0.270 606 L C -2.006 174.633 176.870 -0.385 0.000 0.972 606 L CA -0.252 54.157 54.840 -0.718 0.000 0.836 606 L CB 1.703 43.252 42.059 -0.852 0.000 1.255 606 L HN 0.772 nan 8.230 nan 0.000 0.404 607 I N 6.081 126.528 120.570 -0.206 0.000 2.498 607 I HA 0.510 4.680 4.170 -0.000 0.000 0.290 607 I C -0.856 175.263 176.117 0.004 0.000 1.032 607 I CA -0.503 60.735 61.300 -0.103 0.000 1.073 607 I CB 2.158 40.097 38.000 -0.103 0.000 1.251 607 I HN 0.484 nan 8.210 nan 0.000 0.426 608 I N 5.353 125.953 120.570 0.050 0.000 2.497 608 I HA 0.242 4.412 4.170 -0.000 0.000 0.284 608 I C -0.433 175.783 176.117 0.166 0.000 1.060 608 I CA -0.134 61.270 61.300 0.173 0.000 1.071 608 I CB 1.513 39.570 38.000 0.095 0.000 1.216 608 I HN 0.634 nan 8.210 nan 0.000 0.442 609 D N 5.149 125.684 120.400 0.224 0.000 2.945 609 D HA -0.176 4.463 4.640 -0.000 0.000 0.225 609 D C 0.942 177.244 176.300 0.004 0.000 1.158 609 D CA 1.796 55.843 54.000 0.077 0.000 0.805 609 D CB -0.773 40.100 40.800 0.122 0.000 1.098 609 D HN 1.144 nan 8.370 nan 0.000 0.426 610 G N -0.540 108.242 108.800 -0.030 0.000 2.137 610 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.237 610 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.237 610 G C -0.270 174.628 174.900 -0.003 0.000 1.002 610 G CA 0.379 45.459 45.100 -0.032 0.000 0.702 610 G HN 0.437 nan 8.290 nan 0.000 0.515 611 Q N 0.005 119.809 119.800 0.008 0.000 2.339 611 Q HA 0.423 4.763 4.340 -0.000 0.000 0.268 611 Q C 0.482 176.475 176.000 -0.012 0.000 1.027 611 Q CA -0.898 54.912 55.803 0.013 0.000 0.759 611 Q CB 1.949 30.709 28.738 0.037 0.000 1.244 611 Q HN 0.825 nan 8.270 nan 0.000 0.464 612 I N 2.744 123.292 120.570 -0.037 0.000 2.671 612 I HA -0.045 4.125 4.170 -0.000 0.000 0.285 612 I C 0.168 176.259 176.117 -0.043 0.000 1.148 612 I CA 0.256 61.511 61.300 -0.076 0.000 1.386 612 I CB 0.353 38.294 38.000 -0.100 0.000 1.406 612 I HN 0.693 nan 8.210 nan 0.000 0.540 613 I N 8.076 128.616 120.570 -0.050 0.000 2.584 613 I HA 0.066 4.236 4.170 -0.000 0.000 0.255 613 I C 0.178 176.394 176.117 0.165 0.000 1.145 613 I CA 0.829 62.158 61.300 0.050 0.000 1.462 613 I CB 0.098 38.145 38.000 0.080 0.000 1.102 613 I HN 0.767 nan 8.210 nan 0.000 0.433 614 F N -1.088 118.827 119.950 -0.058 0.000 2.770 614 F HA 0.689 5.216 4.527 -0.000 0.000 0.313 614 F C -0.559 175.188 175.800 -0.087 0.000 1.154 614 F CA -0.573 57.387 58.000 -0.066 0.000 0.923 614 F CB 0.437 39.404 39.000 -0.054 0.000 1.301 614 F HN -0.100 nan 8.300 nan 0.000 0.449 615 G N 0.952 109.843 108.800 0.151 0.000 2.742 615 G HA2 0.320 4.280 3.960 -0.000 0.000 0.686 615 G HA3 0.320 4.280 3.960 -0.000 0.000 0.686 615 G C -1.695 173.185 174.900 -0.033 0.000 1.220 615 G CA -0.666 44.449 45.100 0.025 0.000 0.783 615 G HN 1.295 nan 8.290 nan 0.000 0.646 616 V N 1.654 121.551 119.914 -0.028 0.000 2.521 616 V HA 0.317 4.436 4.120 -0.000 0.000 0.286 616 V C 1.231 177.273 176.094 -0.087 0.000 1.034 616 V CA -0.479 61.783 62.300 -0.063 0.000 1.045 616 V CB 1.434 33.227 31.823 -0.050 0.000 0.974 616 V HN 0.833 nan 8.190 nan 0.000 0.480 617 V N 6.349 126.196 119.914 -0.111 0.000 2.387 617 V HA 0.326 4.446 4.120 -0.000 0.000 0.260 617 V C 0.287 176.316 176.094 -0.109 0.000 1.054 617 V CA -0.034 62.195 62.300 -0.118 0.000 0.967 617 V CB 0.283 32.025 31.823 -0.135 0.000 1.036 617 V HN 1.167 nan 8.190 nan 0.000 0.481 618 E N 3.497 123.643 120.200 -0.090 0.000 2.490 618 E HA 0.425 4.775 4.350 -0.000 0.000 0.176 618 E C 0.953 177.514 176.600 -0.065 0.000 0.781 618 E CA -0.803 55.550 56.400 -0.078 0.000 0.911 618 E CB 0.435 30.096 29.700 -0.066 0.000 2.014 618 E HN 0.014 nan 8.360 nan 0.000 0.388 619 K N 0.425 120.796 120.400 -0.048 0.000 2.015 619 K HA -0.201 4.118 4.320 -0.000 0.000 0.216 619 K C 1.784 178.362 176.600 -0.036 0.000 1.052 619 K CA 2.233 58.499 56.287 -0.034 0.000 0.937 619 K CB -0.246 32.241 32.500 -0.021 0.000 0.719 619 K HN 0.335 nan 8.250 nan 0.000 0.446 620 K N -0.428 119.950 120.400 -0.037 0.000 2.015 620 K HA -0.208 4.112 4.320 -0.000 0.000 0.220 620 K C 2.223 178.793 176.600 -0.050 0.000 1.055 620 K CA 2.512 58.775 56.287 -0.039 0.000 0.951 620 K CB -0.502 31.973 32.500 -0.041 0.000 0.725 620 K HN 0.262 nan 8.250 nan 0.000 0.449 621 T N 0.513 115.025 114.554 -0.070 0.000 2.612 621 T HA -0.102 4.248 4.350 -0.000 0.000 0.259 621 T C 1.854 176.505 174.700 -0.082 0.000 1.065 621 T CA 1.258 63.307 62.100 -0.085 0.000 1.167 621 T CB -0.207 68.596 68.868 -0.109 0.000 0.863 621 T HN -0.003 nan 8.240 nan 0.000 0.407 622 V N 1.022 120.883 119.914 -0.089 0.000 3.647 622 V HA 0.362 4.481 4.120 -0.000 0.000 0.279 622 V C 1.307 177.348 176.094 -0.088 0.000 1.314 622 V CA 0.219 62.453 62.300 -0.110 0.000 1.125 622 V CB -0.615 31.134 31.823 -0.123 0.000 0.907 622 V HN 0.525 nan 8.190 nan 0.000 0.434 623 G N -0.082 108.688 108.800 -0.051 0.000 2.509 623 G HA2 0.210 4.170 3.960 -0.000 0.000 0.269 623 G HA3 0.210 4.170 3.960 -0.000 0.000 0.269 623 G C 1.119 176.020 174.900 0.001 0.000 1.416 623 G CA 0.525 45.615 45.100 -0.016 0.000 1.052 623 G HN 0.457 nan 8.290 nan 0.000 0.542 624 S N -1.121 114.594 115.700 0.025 0.000 2.558 624 S HA 0.081 4.551 4.470 -0.000 0.000 0.217 624 S C 1.376 175.990 174.600 0.024 0.000 0.975 624 S CA 0.636 58.857 58.200 0.035 0.000 0.912 624 S CB -0.716 62.510 63.200 0.044 0.000 0.776 624 S HN 1.074 nan 8.310 nan 0.000 0.526 625 S N 2.001 117.712 115.700 0.020 0.000 2.550 625 S HA 0.031 4.500 4.470 -0.000 0.000 0.285 625 S C 1.081 175.714 174.600 0.055 0.000 1.326 625 S CA -0.241 57.974 58.200 0.025 0.000 1.037 625 S CB 0.026 63.230 63.200 0.007 0.000 0.838 625 S HN 0.433 nan 8.310 nan 0.000 0.519 626 N N 2.496 121.238 118.700 0.070 0.000 2.023 626 N HA -0.160 4.580 4.740 -0.000 0.000 0.200 626 N C 1.914 177.549 175.510 0.207 0.000 1.048 626 N CA 2.150 55.290 53.050 0.149 0.000 0.872 626 N CB -1.230 37.302 38.487 0.075 0.000 1.070 626 N HN 0.885 nan 8.380 nan 0.000 0.441 627 G N 0.183 109.024 108.800 0.068 0.000 2.484 627 G HA2 0.037 3.997 3.960 -0.000 0.000 0.218 627 G HA3 0.037 3.997 3.960 -0.000 0.000 0.218 627 G C 0.822 175.733 174.900 0.018 0.000 1.130 627 G CA 0.639 45.743 45.100 0.006 0.000 0.784 627 G HN 0.531 nan 8.290 nan 0.000 0.543 628 G N 0.062 108.883 108.800 0.036 0.000 3.014 628 G HA2 0.047 4.007 3.960 -0.000 0.000 0.239 628 G HA3 0.047 4.007 3.960 -0.000 0.000 0.239 628 G C 1.069 175.968 174.900 -0.002 0.000 1.249 628 G CA 0.146 45.247 45.100 0.002 0.000 0.867 628 G HN 0.470 nan 8.290 nan 0.000 0.607 629 L N 0.811 122.003 121.223 -0.052 0.000 2.191 629 L HA -0.038 4.302 4.340 -0.000 0.000 0.212 629 L C 2.440 179.270 176.870 -0.068 0.000 1.103 629 L CA 1.522 56.319 54.840 -0.073 0.000 0.769 629 L CB -0.211 41.782 42.059 -0.110 0.000 0.908 629 L HN 0.600 nan 8.230 nan 0.000 0.438 630 I N -1.515 119.013 120.570 -0.070 0.000 2.235 630 I HA -0.226 3.944 4.170 -0.000 0.000 0.241 630 I C 2.485 178.632 176.117 0.050 0.000 1.085 630 I CA 0.958 62.218 61.300 -0.067 0.000 1.378 630 I CB -0.650 37.291 38.000 -0.099 0.000 1.076 630 I HN 0.333 nan 8.210 nan 0.000 0.415 631 H N 1.186 120.241 119.070 -0.025 0.000 2.267 631 H HA -0.203 4.352 4.556 -0.000 0.000 0.291 631 H C 2.309 177.626 175.328 -0.018 0.000 1.094 631 H CA 2.312 58.351 56.048 -0.014 0.000 1.227 631 H CB -0.461 29.295 29.762 -0.010 0.000 1.351 631 H HN 0.061 nan 8.280 nan 0.000 0.483 632 V N 0.068 120.048 119.914 0.111 0.000 2.219 632 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 632 V C 3.003 179.111 176.094 0.022 0.000 1.053 632 V CA 1.934 64.245 62.300 0.019 0.000 1.009 632 V CB -0.935 30.873 31.823 -0.024 0.000 0.636 632 V HN 0.274 nan 8.190 nan 0.000 0.445 633 V N 0.156 120.071 119.914 0.001 0.000 2.380 633 V HA -0.299 3.820 4.120 -0.000 0.000 0.251 633 V C 2.498 178.608 176.094 0.026 0.000 1.063 633 V CA 2.578 64.873 62.300 -0.008 0.000 1.055 633 V CB -1.283 30.519 31.823 -0.036 0.000 0.657 633 V HN 0.716 nan 8.190 nan 0.000 0.455 634 T N -0.376 114.210 114.554 0.054 0.000 2.643 634 T HA -0.173 4.177 4.350 -0.000 0.000 0.264 634 T C 2.126 176.864 174.700 0.064 0.000 1.045 634 T CA 1.172 63.309 62.100 0.062 0.000 1.155 634 T CB -0.271 68.632 68.868 0.059 0.000 0.863 634 T HN 0.256 nan 8.240 nan 0.000 0.420 635 R N 0.889 121.444 120.500 0.093 0.000 2.081 635 R HA 0.029 4.368 4.340 -0.000 0.000 0.235 635 R C 2.460 178.797 176.300 0.063 0.000 1.131 635 R CA 1.265 57.415 56.100 0.084 0.000 0.960 635 R CB -0.604 29.750 30.300 0.091 0.000 0.856 635 R HN 0.392 nan 8.270 nan 0.000 0.436 636 E N 0.348 120.577 120.200 0.047 0.000 2.152 636 E HA -0.053 4.296 4.350 -0.000 0.000 0.192 636 E C 0.973 177.595 176.600 0.037 0.000 0.983 636 E CA 1.180 57.604 56.400 0.040 0.000 0.818 636 E CB 0.323 30.032 29.700 0.014 0.000 0.758 636 E HN -0.004 nan 8.360 nan 0.000 0.467 637 K N -1.242 119.176 120.400 0.029 0.000 2.517 637 K HA 0.312 4.632 4.320 -0.000 0.000 0.210 637 K C -0.199 176.418 176.600 0.030 0.000 1.166 637 K CA 0.539 56.840 56.287 0.024 0.000 1.030 637 K CB 1.668 34.172 32.500 0.007 0.000 0.974 637 K HN 0.149 nan 8.250 nan 0.000 0.585 638 G N 2.508 111.330 108.800 0.037 0.000 2.650 638 G HA2 -0.142 3.817 3.960 -0.000 0.000 0.686 638 G HA3 -0.142 3.817 3.960 -0.000 0.000 0.686 638 G C -2.448 172.474 174.900 0.036 0.000 1.205 638 G CA -0.627 44.495 45.100 0.036 0.000 0.781 638 G HN -0.204 nan 8.290 nan 0.000 0.648 639 P HA -0.135 nan 4.420 nan 0.000 0.214 639 P C 1.633 178.954 177.300 0.036 0.000 1.162 639 P CA 1.524 64.640 63.100 0.026 0.000 0.874 639 P CB 0.091 31.791 31.700 0.001 0.000 0.784 640 Q N -0.334 119.480 119.800 0.023 0.000 2.077 640 Q HA -0.123 4.217 4.340 -0.000 0.000 0.206 640 Q C 2.320 178.347 176.000 0.045 0.000 0.989 640 Q CA 1.550 57.369 55.803 0.026 0.000 0.853 640 Q CB -0.674 28.073 28.738 0.015 0.000 0.907 640 Q HN 0.033 nan 8.270 nan 0.000 0.418 641 V N -0.084 119.855 119.914 0.041 0.000 2.594 641 V HA -0.274 3.846 4.120 -0.000 0.000 0.253 641 V C 2.287 178.415 176.094 0.057 0.000 1.069 641 V CA 1.480 63.806 62.300 0.043 0.000 1.082 641 V CB -0.252 31.588 31.823 0.029 0.000 0.680 641 V HN 0.597 nan 8.190 nan 0.000 0.469 642 C N 0.021 119.365 119.300 0.072 0.000 2.489 642 C HA -0.027 4.433 4.460 -0.000 0.000 0.279 642 C C 3.095 178.225 174.990 0.232 0.000 1.266 642 C CA 0.785 59.866 59.018 0.105 0.000 1.707 642 C CB -1.181 26.628 27.740 0.116 0.000 2.059 642 C HN 0.586 nan 8.230 nan 0.000 0.481 643 A N 0.441 123.395 122.820 0.225 0.000 1.927 643 A HA -0.260 4.060 4.320 -0.000 0.000 0.220 643 A C 2.101 179.835 177.584 0.251 0.000 1.185 643 A CA 2.522 54.702 52.037 0.239 0.000 0.639 643 A CB -0.709 18.326 19.000 0.058 0.000 0.820 643 A HN 0.638 nan 8.150 nan 0.000 0.451 644 K N -0.548 119.944 120.400 0.153 0.000 2.211 644 K HA -0.042 4.277 4.320 -0.000 0.000 0.203 644 K C 1.665 178.341 176.600 0.127 0.000 1.050 644 K CA 1.127 57.486 56.287 0.119 0.000 0.945 644 K CB -0.554 31.991 32.500 0.076 0.000 0.732 644 K HN 0.368 nan 8.250 nan 0.000 0.451 645 L N -0.022 121.270 121.223 0.114 0.000 2.012 645 L HA -0.080 4.260 4.340 -0.000 0.000 0.210 645 L C 1.731 178.606 176.870 0.007 0.000 1.073 645 L CA 1.731 56.585 54.840 0.023 0.000 0.748 645 L CB -0.652 41.367 42.059 -0.066 0.000 0.891 645 L HN 0.146 nan 8.230 nan 0.000 0.431 646 F N 0.131 120.086 119.950 0.009 0.000 2.091 646 F HA -0.178 4.349 4.527 -0.000 0.000 0.299 646 F C 2.468 178.277 175.800 0.016 0.000 1.103 646 F CA 1.758 59.765 58.000 0.011 0.000 1.228 646 F CB -1.480 37.530 39.000 0.017 0.000 0.984 646 F HN 0.221 nan 8.300 nan 0.000 0.477 647 G N -0.022 108.922 108.800 0.240 0.000 2.587 647 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.217 647 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.217 647 G C 1.555 176.514 174.900 0.100 0.000 1.240 647 G CA 1.349 46.535 45.100 0.144 0.000 0.794 647 G HN 0.269 nan 8.290 nan 0.000 0.580 648 N N 0.879 119.629 118.700 0.084 0.000 2.021 648 N HA -0.140 4.599 4.740 -0.000 0.000 0.198 648 N C 2.214 177.742 175.510 0.031 0.000 1.041 648 N CA 1.468 54.554 53.050 0.061 0.000 0.862 648 N CB -0.557 37.960 38.487 0.050 0.000 1.048 648 N HN 0.413 nan 8.380 nan 0.000 0.427 649 I N 0.979 121.551 120.570 0.003 0.000 2.099 649 I HA -0.344 3.826 4.170 -0.000 0.000 0.239 649 I C 2.360 178.470 176.117 -0.011 0.000 1.066 649 I CA 1.388 62.670 61.300 -0.030 0.000 1.324 649 I CB -0.466 37.484 38.000 -0.084 0.000 1.037 649 I HN 0.239 nan 8.210 nan 0.000 0.401 650 Q N 0.767 120.577 119.800 0.018 0.000 2.014 650 Q HA -0.263 4.076 4.340 -0.000 0.000 0.207 650 Q C 2.306 178.293 176.000 -0.022 0.000 0.993 650 Q CA 1.923 57.737 55.803 0.019 0.000 0.850 650 Q CB -0.141 28.632 28.738 0.059 0.000 0.916 650 Q HN 0.410 nan 8.270 nan 0.000 0.417 651 K N -0.128 120.258 120.400 -0.022 0.000 2.020 651 K HA -0.182 4.138 4.320 -0.000 0.000 0.212 651 K C 2.149 178.660 176.600 -0.149 0.000 1.050 651 K CA 1.676 57.895 56.287 -0.113 0.000 0.929 651 K CB -0.359 32.163 32.500 0.036 0.000 0.714 651 K HN 0.067 nan 8.250 nan 0.000 0.443 652 V N 1.175 121.071 119.914 -0.029 0.000 2.223 652 V HA -0.250 3.869 4.120 -0.000 0.000 0.244 652 V C 2.418 178.567 176.094 0.091 0.000 1.045 652 V CA 1.727 64.037 62.300 0.017 0.000 1.000 652 V CB -0.485 31.345 31.823 0.012 0.000 0.635 652 V HN 0.084 nan 8.190 nan 0.000 0.445 653 V N 0.680 120.622 119.914 0.047 0.000 2.282 653 V HA -0.310 3.810 4.120 -0.000 0.000 0.249 653 V C 2.364 178.543 176.094 0.143 0.000 1.057 653 V CA 2.371 64.722 62.300 0.084 0.000 1.032 653 V CB -0.953 30.868 31.823 -0.004 0.000 0.645 653 V HN 0.573 nan 8.190 nan 0.000 0.447 654 N N -0.368 118.348 118.700 0.027 0.000 2.069 654 N HA -0.205 4.534 4.740 -0.000 0.000 0.191 654 N C 1.804 177.262 175.510 -0.087 0.000 1.031 654 N CA 2.002 55.030 53.050 -0.036 0.000 0.852 654 N CB -0.493 37.932 38.487 -0.103 0.000 1.018 654 N HN 0.565 nan 8.380 nan 0.000 0.423 655 F N 0.408 120.182 119.950 -0.293 0.000 2.091 655 F HA -0.241 4.285 4.527 -0.000 0.000 0.299 655 F C 2.411 178.207 175.800 -0.007 0.000 1.103 655 F CA 1.674 59.489 58.000 -0.308 0.000 1.228 655 F CB -0.552 38.084 39.000 -0.608 0.000 0.984 655 F HN 0.138 nan 8.300 nan 0.000 0.477 656 W N 0.666 121.995 121.300 0.049 0.000 2.335 656 W HA -0.226 4.433 4.660 -0.000 0.000 0.311 656 W C 2.106 178.572 176.519 -0.089 0.000 1.213 656 W CA 1.903 59.264 57.345 0.026 0.000 1.274 656 W CB -0.578 28.922 29.460 0.066 0.000 1.148 656 W HN 0.173 nan 8.180 nan 0.000 0.498 657 L N 0.535 121.848 121.223 0.149 0.000 2.093 657 L HA -0.119 4.220 4.340 -0.000 0.000 0.208 657 L C 2.394 179.102 176.870 -0.271 0.000 1.085 657 L CA 1.847 56.684 54.840 -0.006 0.000 0.755 657 L CB -1.391 40.752 42.059 0.141 0.000 0.904 657 L HN 0.184 nan 8.230 nan 0.000 0.435 658 L N -0.952 120.062 121.223 -0.349 0.000 2.079 658 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 658 L C 2.192 178.663 176.870 -0.666 0.000 1.081 658 L CA 1.924 56.465 54.840 -0.499 0.000 0.752 658 L CB -0.885 40.797 42.059 -0.630 0.000 0.896 658 L HN 0.425 nan 8.230 nan 0.000 0.433 659 H N -1.699 117.053 119.070 -0.531 0.000 2.539 659 H HA 0.121 4.676 4.556 -0.000 0.000 0.269 659 H C 1.376 176.405 175.328 -0.498 0.000 0.980 659 H CA 0.751 56.511 56.048 -0.479 0.000 1.152 659 H CB 0.128 29.583 29.762 -0.512 0.000 1.407 659 H HN 0.536 nan 8.280 nan 0.000 0.564 660 N N 0.338 118.691 118.700 -0.579 0.000 2.414 660 N HA 0.099 4.838 4.740 -0.000 0.000 0.189 660 N C 0.191 175.518 175.510 -0.304 0.000 1.039 660 N CA 1.010 53.699 53.050 -0.602 0.000 0.889 660 N CB 0.970 38.714 38.487 -1.239 0.000 1.085 660 N HN 0.290 nan 8.380 nan 0.000 0.442 661 G N -0.247 108.413 108.800 -0.232 0.000 3.055 661 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.686 661 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.686 661 G C -1.382 173.561 174.900 0.073 0.000 1.087 661 G CA -0.318 44.729 45.100 -0.088 0.000 0.779 661 G HN 0.346 nan 8.290 nan 0.000 0.599 662 F N 2.600 122.515 119.950 -0.059 0.000 2.561 662 F HA 0.846 5.373 4.527 -0.000 0.000 0.313 662 F C 0.071 175.860 175.800 -0.017 0.000 1.126 662 F CA -0.002 57.989 58.000 -0.015 0.000 0.918 662 F CB 2.279 41.292 39.000 0.021 0.000 1.199 662 F HN 0.967 nan 8.300 nan 0.000 0.444 663 S N 2.532 117.674 115.700 -0.930 0.000 2.911 663 S HA 0.911 5.381 4.470 -0.000 0.000 0.319 663 S C -1.462 172.645 174.600 -0.821 0.000 1.154 663 S CA -0.359 57.440 58.200 -0.668 0.000 0.857 663 S CB 1.927 64.934 63.200 -0.323 0.000 1.279 663 S HN 0.732 nan 8.310 nan 0.000 0.593 664 T N 0.647 114.966 114.554 -0.391 0.000 3.435 664 T HA 0.613 4.963 4.350 -0.000 0.000 0.344 664 T C -0.328 174.293 174.700 -0.132 0.000 1.211 664 T CA -0.369 61.586 62.100 -0.241 0.000 1.104 664 T CB 1.112 69.892 68.868 -0.147 0.000 1.196 664 T HN 0.908 nan 8.240 nan 0.000 0.471 665 G N 0.712 109.455 108.800 -0.094 0.000 3.108 665 G HA2 0.684 4.643 3.960 -0.000 0.000 0.268 665 G HA3 0.684 4.643 3.960 -0.000 0.000 0.268 665 G C 0.955 175.835 174.900 -0.035 0.000 1.361 665 G CA -1.065 43.999 45.100 -0.061 0.000 1.047 665 G HN 0.723 nan 8.290 nan 0.000 0.540 666 I N 0.331 120.887 120.570 -0.024 0.000 2.493 666 I HA -0.014 4.155 4.170 -0.000 0.000 0.254 666 I C 2.747 178.861 176.117 -0.006 0.000 1.160 666 I CA 1.149 62.443 61.300 -0.010 0.000 1.445 666 I CB -0.641 37.355 38.000 -0.006 0.000 1.086 666 I HN 0.547 nan 8.210 nan 0.000 0.433 667 G N 1.452 110.244 108.800 -0.012 0.000 2.440 667 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.218 667 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.218 667 G C 1.256 176.155 174.900 -0.001 0.000 1.154 667 G CA 0.905 46.001 45.100 -0.007 0.000 0.767 667 G HN 0.325 nan 8.290 nan 0.000 0.552 668 D N 0.069 120.465 120.400 -0.007 0.000 2.309 668 D HA -0.089 4.550 4.640 -0.000 0.000 0.212 668 D C 2.425 178.734 176.300 0.016 0.000 0.968 668 D CA 1.592 55.595 54.000 0.004 0.000 0.882 668 D CB -0.109 40.687 40.800 -0.006 0.000 0.918 668 D HN 0.529 nan 8.370 nan 0.000 0.503 669 T N -1.877 112.684 114.554 0.012 0.000 3.214 669 T HA 0.330 4.680 4.350 -0.000 0.000 0.264 669 T C 0.536 175.246 174.700 0.017 0.000 1.012 669 T CA -0.410 61.701 62.100 0.018 0.000 0.901 669 T CB -0.259 68.622 68.868 0.022 0.000 1.070 669 T HN -0.126 nan 8.240 nan 0.000 0.561 670 I N 1.958 122.537 120.570 0.015 0.000 2.412 670 I HA 0.672 4.842 4.170 -0.000 0.000 0.296 670 I C 0.490 176.616 176.117 0.016 0.000 0.987 670 I CA -1.188 60.120 61.300 0.014 0.000 1.180 670 I CB 1.774 39.781 38.000 0.011 0.000 1.340 670 I HN 0.230 nan 8.210 nan 0.000 0.455 671 A N 3.933 126.762 122.820 0.015 0.000 2.279 671 A HA 0.297 4.617 4.320 -0.000 0.000 0.303 671 A C -0.328 177.267 177.584 0.019 0.000 1.108 671 A CA -0.515 51.533 52.037 0.019 0.000 0.830 671 A CB 0.403 19.413 19.000 0.017 0.000 1.106 671 A HN 0.686 nan 8.150 nan 0.000 0.493 672 D N 1.149 121.562 120.400 0.022 0.000 2.472 672 D HA 0.139 4.778 4.640 -0.000 0.000 0.248 672 D C 1.741 178.052 176.300 0.019 0.000 1.174 672 D CA 1.366 55.378 54.000 0.021 0.000 0.883 672 D CB 0.865 41.679 40.800 0.024 0.000 1.149 672 D HN 0.623 nan 8.370 nan 0.000 0.488 673 G N 6.165 114.975 108.800 0.016 0.000 2.816 673 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.229 673 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.229 673 G C -0.710 174.200 174.900 0.016 0.000 1.158 673 G CA 1.088 46.197 45.100 0.015 0.000 0.761 673 G HN 0.536 nan 8.290 nan 0.000 0.636 674 P HA -0.089 nan 4.420 nan 0.000 0.215 674 P C 1.874 179.187 177.300 0.021 0.000 1.157 674 P CA 2.086 65.198 63.100 0.018 0.000 0.863 674 P CB -0.511 31.201 31.700 0.019 0.000 0.787 675 T N 0.114 114.682 114.554 0.023 0.000 2.685 675 T HA -0.163 4.186 4.350 -0.000 0.000 0.268 675 T C 1.922 176.637 174.700 0.025 0.000 1.034 675 T CA 1.661 63.777 62.100 0.027 0.000 1.149 675 T CB -0.588 68.298 68.868 0.030 0.000 0.860 675 T HN -0.044 nan 8.240 nan 0.000 0.449 676 M N 0.371 119.983 119.600 0.020 0.000 2.202 676 M HA 0.008 4.488 4.480 -0.000 0.000 0.262 676 M C 2.207 178.519 176.300 0.019 0.000 1.063 676 M CA 1.335 56.645 55.300 0.017 0.000 1.097 676 M CB -0.864 31.744 32.600 0.013 0.000 1.382 676 M HN 0.123 nan 8.290 nan 0.000 0.413 677 R N -0.505 120.007 120.500 0.020 0.000 2.093 677 R HA -0.080 4.260 4.340 -0.000 0.000 0.224 677 R C 2.103 178.418 176.300 0.024 0.000 1.101 677 R CA 1.078 57.190 56.100 0.021 0.000 0.979 677 R CB 0.013 30.324 30.300 0.019 0.000 0.877 677 R HN 0.400 nan 8.270 nan 0.000 0.441 678 E N 0.245 120.460 120.200 0.025 0.000 2.077 678 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 678 E C 1.759 178.380 176.600 0.034 0.000 0.989 678 E CA 1.216 57.633 56.400 0.029 0.000 0.800 678 E CB 0.021 29.739 29.700 0.030 0.000 0.746 678 E HN 0.279 nan 8.360 nan 0.000 0.452 679 I N 0.407 120.998 120.570 0.034 0.000 2.127 679 I HA -0.292 3.878 4.170 -0.000 0.000 0.241 679 I C 2.376 178.518 176.117 0.042 0.000 1.075 679 I CA 1.464 62.787 61.300 0.038 0.000 1.334 679 I CB -0.311 37.705 38.000 0.026 0.000 1.040 679 I HN 0.157 nan 8.210 nan 0.000 0.405 680 T N -0.162 114.412 114.554 0.034 0.000 2.833 680 T HA -0.187 4.162 4.350 -0.000 0.000 0.269 680 T C 1.724 176.450 174.700 0.043 0.000 1.054 680 T CA 1.323 63.446 62.100 0.038 0.000 1.135 680 T CB -0.237 68.649 68.868 0.030 0.000 0.869 680 T HN 0.402 nan 8.240 nan 0.000 0.466 681 E N 0.523 120.744 120.200 0.036 0.000 2.028 681 E HA -0.083 4.266 4.350 -0.000 0.000 0.190 681 E C 2.536 179.156 176.600 0.033 0.000 0.984 681 E CA 1.294 57.713 56.400 0.031 0.000 0.800 681 E CB -0.201 29.513 29.700 0.024 0.000 0.758 681 E HN 0.334 nan 8.360 nan 0.000 0.448 682 T N 1.437 116.015 114.554 0.040 0.000 2.653 682 T HA -0.222 4.128 4.350 -0.000 0.000 0.268 682 T C 1.926 176.660 174.700 0.055 0.000 1.035 682 T CA 1.340 63.467 62.100 0.045 0.000 1.154 682 T CB -0.288 68.615 68.868 0.058 0.000 0.862 682 T HN 0.075 nan 8.240 nan 0.000 0.441 683 I N 1.164 121.786 120.570 0.085 0.000 2.090 683 I HA -0.153 4.017 4.170 -0.000 0.000 0.236 683 I C 2.797 178.961 176.117 0.078 0.000 1.064 683 I CA 1.337 62.715 61.300 0.131 0.000 1.324 683 I CB -0.462 37.660 38.000 0.203 0.000 1.044 683 I HN 0.174 nan 8.210 nan 0.000 0.399 684 A N -0.525 122.336 122.820 0.068 0.000 2.186 684 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 684 A C 2.249 179.838 177.584 0.009 0.000 1.159 684 A CA 1.675 53.738 52.037 0.044 0.000 0.680 684 A CB -0.709 18.317 19.000 0.043 0.000 0.787 684 A HN 0.553 nan 8.150 nan 0.000 0.467 685 E N -0.587 119.613 120.200 -0.000 0.000 2.299 685 E HA 0.059 4.409 4.350 -0.000 0.000 0.193 685 E C 1.939 178.492 176.600 -0.078 0.000 0.998 685 E CA 0.631 57.012 56.400 -0.031 0.000 0.851 685 E CB -0.071 29.617 29.700 -0.020 0.000 0.795 685 E HN 0.587 nan 8.360 nan 0.000 0.492 686 A N 1.147 123.922 122.820 -0.075 0.000 1.975 686 A HA -0.029 4.291 4.320 -0.000 0.000 0.215 686 A C 1.871 179.364 177.584 -0.152 0.000 1.170 686 A CA 0.543 52.496 52.037 -0.140 0.000 0.656 686 A CB -0.067 18.862 19.000 -0.119 0.000 0.821 686 A HN 0.046 nan 8.150 nan 0.000 0.449 687 K N 0.220 120.567 120.400 -0.089 0.000 2.360 687 K HA -0.109 4.211 4.320 -0.000 0.000 0.201 687 K C 1.686 178.260 176.600 -0.044 0.000 1.046 687 K CA 1.224 57.480 56.287 -0.052 0.000 0.945 687 K CB -0.068 32.439 32.500 0.012 0.000 0.750 687 K HN 0.442 nan 8.250 nan 0.000 0.464 688 K N 1.071 121.428 120.400 -0.071 0.000 2.005 688 K HA -0.051 4.269 4.320 -0.000 0.000 0.206 688 K C 1.945 178.464 176.600 -0.135 0.000 1.044 688 K CA 0.983 57.226 56.287 -0.074 0.000 0.942 688 K CB 0.036 32.491 32.500 -0.075 0.000 0.727 688 K HN 0.007 nan 8.250 nan 0.000 0.439 689 K N 0.784 121.025 120.400 -0.265 0.000 2.034 689 K HA -0.199 4.120 4.320 -0.000 0.000 0.214 689 K C 2.131 178.505 176.600 -0.376 0.000 1.051 689 K CA 1.905 57.873 56.287 -0.531 0.000 0.931 689 K CB -0.591 31.281 32.500 -1.047 0.000 0.715 689 K HN -0.032 nan 8.250 nan 0.000 0.446 690 V N 1.727 121.525 119.914 -0.194 0.000 2.332 690 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 690 V C 2.282 178.431 176.094 0.092 0.000 1.055 690 V CA 1.507 63.833 62.300 0.043 0.000 1.038 690 V CB -0.484 31.349 31.823 0.016 0.000 0.651 690 V HN 0.255 nan 8.190 nan 0.000 0.450 691 L N 0.473 121.721 121.223 0.041 0.000 2.093 691 L HA -0.124 4.215 4.340 -0.000 0.000 0.208 691 L C 2.026 178.939 176.870 0.072 0.000 1.085 691 L CA 1.950 56.834 54.840 0.073 0.000 0.755 691 L CB -1.029 41.055 42.059 0.042 0.000 0.904 691 L HN 0.313 nan 8.230 nan 0.000 0.435 692 D N -0.804 119.612 120.400 0.027 0.000 2.097 692 D HA -0.125 4.515 4.640 -0.000 0.000 0.197 692 D C 2.305 178.656 176.300 0.085 0.000 0.984 692 D CA 1.623 55.640 54.000 0.029 0.000 0.826 692 D CB -0.285 40.502 40.800 -0.023 0.000 0.973 692 D HN 0.276 nan 8.370 nan 0.000 0.460 693 V N 1.126 121.124 119.914 0.140 0.000 2.407 693 V HA -0.216 3.903 4.120 -0.000 0.000 0.248 693 V C 2.447 178.736 176.094 0.324 0.000 1.055 693 V CA 1.711 64.161 62.300 0.250 0.000 1.049 693 V CB -0.915 31.115 31.823 0.345 0.000 0.662 693 V HN 0.199 nan 8.190 nan 0.000 0.455 694 T N 0.104 114.870 114.554 0.354 0.000 2.569 694 T HA -0.255 4.095 4.350 -0.000 0.000 0.263 694 T C 1.949 176.684 174.700 0.058 0.000 1.074 694 T CA 1.936 64.180 62.100 0.239 0.000 1.176 694 T CB -0.289 68.723 68.868 0.240 0.000 0.863 694 T HN 0.459 nan 8.240 nan 0.000 0.410 695 K N 0.735 121.175 120.400 0.066 0.000 2.034 695 K HA -0.230 4.090 4.320 -0.000 0.000 0.214 695 K C 2.409 179.020 176.600 0.019 0.000 1.051 695 K CA 1.838 58.144 56.287 0.031 0.000 0.931 695 K CB -0.251 32.270 32.500 0.035 0.000 0.715 695 K HN 0.451 nan 8.250 nan 0.000 0.446 696 E N 0.279 120.505 120.200 0.044 0.000 2.048 696 E HA -0.262 4.087 4.350 -0.000 0.000 0.202 696 E C 1.950 178.557 176.600 0.012 0.000 1.021 696 E CA 1.596 58.020 56.400 0.040 0.000 0.825 696 E CB -0.110 29.635 29.700 0.075 0.000 0.756 696 E HN 0.389 nan 8.360 nan 0.000 0.454 697 A N 0.229 123.047 122.820 -0.003 0.000 1.969 697 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 697 A C 2.000 179.502 177.584 -0.137 0.000 1.169 697 A CA 1.346 53.333 52.037 -0.085 0.000 0.635 697 A CB -0.368 18.522 19.000 -0.183 0.000 0.810 697 A HN 0.321 nan 8.150 nan 0.000 0.445 698 Q N -0.732 118.989 119.800 -0.132 0.000 2.224 698 Q HA -0.014 4.326 4.340 -0.000 0.000 0.203 698 Q C 2.240 178.202 176.000 -0.064 0.000 0.970 698 Q CA 1.031 56.765 55.803 -0.114 0.000 0.865 698 Q CB -0.286 28.401 28.738 -0.085 0.000 0.922 698 Q HN 0.692 nan 8.270 nan 0.000 0.445 699 A N 1.118 123.913 122.820 -0.041 0.000 2.014 699 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 699 A C 1.047 178.615 177.584 -0.026 0.000 1.163 699 A CA 1.027 53.049 52.037 -0.024 0.000 0.652 699 A CB 0.034 19.029 19.000 -0.009 0.000 0.808 699 A HN 0.484 nan 8.150 nan 0.000 0.449 700 N N -2.517 116.161 118.700 -0.036 0.000 2.994 700 N HA -0.125 4.614 4.740 -0.000 0.000 0.246 700 N C 0.323 175.824 175.510 -0.014 0.000 1.061 700 N CA 1.003 54.033 53.050 -0.032 0.000 0.845 700 N CB -1.816 36.654 38.487 -0.029 0.000 1.119 700 N HN 0.404 nan 8.380 nan 0.000 0.551 701 L N -0.126 121.094 121.223 -0.005 0.000 2.529 701 L HA 0.212 4.552 4.340 -0.000 0.000 0.223 701 L C 1.152 178.034 176.870 0.019 0.000 1.113 701 L CA 0.124 54.969 54.840 0.008 0.000 0.861 701 L CB 0.049 42.117 42.059 0.014 0.000 1.012 701 L HN 0.177 nan 8.230 nan 0.000 0.461 702 L N 1.232 122.468 121.223 0.022 0.000 2.477 702 L HA 0.063 4.403 4.340 -0.000 0.000 0.272 702 L C 0.000 176.886 176.870 0.026 0.000 1.157 702 L CA 0.290 55.154 54.840 0.040 0.000 0.889 702 L CB 0.946 43.043 42.059 0.062 0.000 1.158 702 L HN 0.070 nan 8.230 nan 0.000 0.473 703 T N 4.091 118.663 114.554 0.029 0.000 2.749 703 T HA 0.311 4.661 4.350 -0.000 0.000 0.295 703 T C 0.503 175.218 174.700 0.024 0.000 0.936 703 T CA -0.574 61.539 62.100 0.021 0.000 1.060 703 T CB 1.161 70.042 68.868 0.022 0.000 0.904 703 T HN 0.715 nan 8.240 nan 0.000 0.500 704 A N 4.823 127.650 122.820 0.012 0.000 2.566 704 A HA 0.139 4.459 4.320 -0.000 0.000 0.245 704 A C 0.619 178.211 177.584 0.013 0.000 1.056 704 A CA 0.012 52.053 52.037 0.007 0.000 0.757 704 A CB -0.087 18.904 19.000 -0.014 0.000 0.979 704 A HN 0.798 nan 8.150 nan 0.000 0.508 705 K N 2.209 122.620 120.400 0.020 0.000 2.401 705 K HA 0.057 4.377 4.320 -0.000 0.000 0.278 705 K C 0.132 176.757 176.600 0.041 0.000 1.018 705 K CA -0.200 56.111 56.287 0.039 0.000 0.981 705 K CB 0.387 32.910 32.500 0.037 0.000 0.933 705 K HN 0.870 nan 8.250 nan 0.000 0.477 706 H N 1.002 120.065 119.070 -0.011 0.000 3.167 706 H HA 0.003 4.559 4.556 -0.000 0.000 0.306 706 H C 0.843 176.163 175.328 -0.014 0.000 0.965 706 H CA 1.619 57.655 56.048 -0.019 0.000 1.408 706 H CB 0.014 29.755 29.762 -0.034 0.000 1.406 706 H HN 0.846 nan 8.280 nan 0.000 0.576 707 G N 4.663 113.101 108.800 -0.604 0.000 2.370 707 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.295 707 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.295 707 G C -0.213 174.617 174.900 -0.116 0.000 1.045 707 G CA 0.490 45.386 45.100 -0.340 0.000 1.199 707 G HN 0.809 nan 8.290 nan 0.000 0.513 708 M N 0.145 119.686 119.600 -0.099 0.000 2.366 708 M HA 0.225 4.705 4.480 -0.000 0.000 0.287 708 M C 0.118 176.395 176.300 -0.040 0.000 1.083 708 M CA -0.542 54.732 55.300 -0.043 0.000 0.934 708 M CB 1.226 33.817 32.600 -0.015 0.000 1.852 708 M HN 0.231 nan 8.290 nan 0.000 0.502 709 T N 3.095 117.634 114.554 -0.024 0.000 2.860 709 T HA 0.239 4.589 4.350 -0.000 0.000 0.299 709 T C 1.196 175.896 174.700 -0.000 0.000 1.045 709 T CA -0.754 61.336 62.100 -0.017 0.000 1.071 709 T CB 0.745 69.608 68.868 -0.009 0.000 0.985 709 T HN 0.507 nan 8.240 nan 0.000 0.537 710 L N 1.301 122.521 121.223 -0.004 0.000 1.944 710 L HA -0.119 4.221 4.340 -0.000 0.000 0.218 710 L C 2.792 179.685 176.870 0.038 0.000 1.075 710 L CA 1.827 56.671 54.840 0.007 0.000 0.767 710 L CB -0.928 41.115 42.059 -0.028 0.000 0.890 710 L HN 0.614 nan 8.230 nan 0.000 0.434 711 R N -0.630 119.875 120.500 0.008 0.000 2.117 711 R HA -0.205 4.134 4.340 -0.000 0.000 0.243 711 R C 2.145 178.506 176.300 0.101 0.000 1.143 711 R CA 1.566 57.691 56.100 0.042 0.000 0.968 711 R CB -0.428 29.877 30.300 0.008 0.000 0.863 711 R HN 0.535 nan 8.270 nan 0.000 0.444 712 E N 0.009 120.241 120.200 0.052 0.000 2.110 712 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 712 E C 2.004 178.621 176.600 0.030 0.000 0.988 712 E CA 1.625 58.046 56.400 0.034 0.000 0.804 712 E CB 0.035 29.742 29.700 0.011 0.000 0.745 712 E HN 0.328 nan 8.360 nan 0.000 0.458 713 S N -0.245 115.482 115.700 0.045 0.000 2.486 713 S HA -0.040 4.429 4.470 -0.000 0.000 0.220 713 S C 1.728 176.347 174.600 0.032 0.000 1.011 713 S CA -0.265 57.948 58.200 0.021 0.000 0.921 713 S CB -0.189 63.023 63.200 0.021 0.000 0.785 713 S HN 0.319 nan 8.310 nan 0.000 0.517 714 F N 2.991 122.907 119.950 -0.056 0.000 2.113 714 F HA 0.056 4.582 4.527 -0.000 0.000 0.297 714 F C 2.308 178.070 175.800 -0.062 0.000 1.103 714 F CA 1.780 59.748 58.000 -0.055 0.000 1.248 714 F CB -0.389 38.571 39.000 -0.067 0.000 0.999 714 F HN 0.111 nan 8.300 nan 0.000 0.475 715 E N 0.587 120.665 120.200 -0.204 0.000 2.023 715 E HA -0.294 4.055 4.350 -0.000 0.000 0.196 715 E C 1.921 178.343 176.600 -0.297 0.000 1.003 715 E CA 1.727 57.950 56.400 -0.294 0.000 0.809 715 E CB -0.990 28.677 29.700 -0.055 0.000 0.755 715 E HN 0.560 nan 8.360 nan 0.000 0.449 716 D N 0.934 121.221 120.400 -0.188 0.000 2.191 716 D HA -0.227 4.413 4.640 -0.000 0.000 0.190 716 D C 1.603 177.717 176.300 -0.310 0.000 1.007 716 D CA 1.911 55.797 54.000 -0.189 0.000 0.865 716 D CB -0.155 40.575 40.800 -0.118 0.000 0.929 716 D HN -0.000 nan 8.370 nan 0.000 0.447 717 N N -0.433 118.033 118.700 -0.391 0.000 2.058 717 N HA -0.113 4.626 4.740 -0.000 0.000 0.191 717 N C 2.073 177.048 175.510 -0.893 0.000 1.037 717 N CA 1.406 54.051 53.050 -0.675 0.000 0.848 717 N CB -0.698 37.483 38.487 -0.509 0.000 1.021 717 N HN 0.188 nan 8.380 nan 0.000 0.422 718 V N 1.071 120.629 119.914 -0.595 0.000 2.231 718 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 718 V C 2.471 178.388 176.094 -0.296 0.000 1.054 718 V CA 1.473 63.550 62.300 -0.372 0.000 1.015 718 V CB -0.798 30.711 31.823 -0.523 0.000 0.638 718 V HN 0.076 nan 8.190 nan 0.000 0.444 719 V N 0.063 119.802 119.914 -0.292 0.000 2.324 719 V HA -0.336 3.784 4.120 -0.000 0.000 0.250 719 V C 2.572 178.559 176.094 -0.178 0.000 1.060 719 V CA 2.616 64.799 62.300 -0.195 0.000 1.042 719 V CB -0.897 30.832 31.823 -0.156 0.000 0.650 719 V HN 0.511 nan 8.190 nan 0.000 0.450 720 R N -0.700 119.642 120.500 -0.262 0.000 2.075 720 R HA -0.122 4.218 4.340 -0.000 0.000 0.232 720 R C 2.374 178.593 176.300 -0.135 0.000 1.126 720 R CA 1.691 57.659 56.100 -0.219 0.000 0.963 720 R CB -0.336 29.790 30.300 -0.291 0.000 0.858 720 R HN 0.520 nan 8.270 nan 0.000 0.435 721 F N 0.975 120.851 119.950 -0.122 0.000 2.046 721 F HA -0.252 4.274 4.527 -0.000 0.000 0.297 721 F C 2.266 177.966 175.800 -0.167 0.000 1.123 721 F CA 0.857 58.778 58.000 -0.131 0.000 1.199 721 F CB -0.304 38.603 39.000 -0.156 0.000 0.972 721 F HN 0.004 nan 8.300 nan 0.000 0.474 722 L N -0.104 121.079 121.223 -0.067 0.000 2.353 722 L HA -0.215 4.125 4.340 -0.000 0.000 0.220 722 L C 1.872 178.710 176.870 -0.053 0.000 1.133 722 L CA 0.640 55.291 54.840 -0.314 0.000 0.798 722 L CB -0.611 41.116 42.059 -0.553 0.000 0.922 722 L HN 0.233 nan 8.230 nan 0.000 0.445 723 N N -0.131 118.573 118.700 0.007 0.000 2.258 723 N HA -0.100 4.639 4.740 -0.000 0.000 0.183 723 N C 1.639 177.201 175.510 0.087 0.000 1.029 723 N CA 0.756 53.847 53.050 0.068 0.000 0.857 723 N CB -0.072 38.437 38.487 0.037 0.000 1.008 723 N HN 0.316 nan 8.380 nan 0.000 0.433 724 E N 1.163 121.406 120.200 0.071 0.000 2.208 724 E HA -0.219 4.131 4.350 -0.000 0.000 0.202 724 E C 1.717 178.376 176.600 0.098 0.000 1.014 724 E CA 1.296 57.748 56.400 0.088 0.000 0.819 724 E CB -0.018 29.746 29.700 0.107 0.000 0.735 724 E HN 0.346 nan 8.360 nan 0.000 0.469 725 A N 1.322 124.199 122.820 0.094 0.000 1.832 725 A HA -0.152 4.167 4.320 -0.000 0.000 0.214 725 A C 2.081 179.760 177.584 0.158 0.000 1.204 725 A CA 1.288 53.389 52.037 0.106 0.000 0.606 725 A CB -0.519 18.520 19.000 0.066 0.000 0.849 725 A HN 0.107 nan 8.150 nan 0.000 0.445 726 R N -0.167 120.461 120.500 0.214 0.000 2.119 726 R HA -0.254 4.086 4.340 -0.000 0.000 0.246 726 R C 1.405 177.786 176.300 0.135 0.000 1.146 726 R CA 2.404 58.611 56.100 0.178 0.000 0.962 726 R CB -0.517 29.888 30.300 0.176 0.000 0.863 726 R HN 0.529 nan 8.270 nan 0.000 0.442 727 D N 0.032 120.534 120.400 0.171 0.000 2.103 727 D HA -0.151 4.488 4.640 -0.000 0.000 0.199 727 D C 1.847 178.303 176.300 0.259 0.000 0.978 727 D CA 1.771 55.926 54.000 0.258 0.000 0.829 727 D CB -0.120 40.808 40.800 0.214 0.000 0.981 727 D HN 0.444 nan 8.370 nan 0.000 0.464 728 K N 0.883 121.379 120.400 0.161 0.000 2.211 728 K HA 0.049 4.368 4.320 -0.000 0.000 0.203 728 K C 2.035 178.714 176.600 0.132 0.000 1.050 728 K CA 1.246 57.609 56.287 0.127 0.000 0.945 728 K CB -0.133 32.418 32.500 0.085 0.000 0.732 728 K HN 0.059 nan 8.250 nan 0.000 0.451 729 A N 2.002 124.898 122.820 0.127 0.000 1.877 729 A HA -0.020 4.300 4.320 -0.000 0.000 0.216 729 A C 2.556 180.198 177.584 0.097 0.000 1.186 729 A CA 1.682 53.777 52.037 0.097 0.000 0.620 729 A CB -1.299 17.751 19.000 0.083 0.000 0.822 729 A HN 0.528 nan 8.150 nan 0.000 0.443 730 G N -0.815 108.057 108.800 0.121 0.000 2.408 730 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.217 730 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.217 730 G C 1.775 176.874 174.900 0.331 0.000 1.150 730 G CA 0.818 45.929 45.100 0.018 0.000 0.776 730 G HN 0.544 nan 8.290 nan 0.000 0.542 731 R N -0.246 120.570 120.500 0.526 0.000 2.066 731 R HA 0.125 4.465 4.340 -0.000 0.000 0.232 731 R C 2.526 178.954 176.300 0.213 0.000 1.131 731 R CA 0.708 57.038 56.100 0.383 0.000 0.955 731 R CB -0.570 29.821 30.300 0.152 0.000 0.851 731 R HN 0.275 nan 8.270 nan 0.000 0.432 732 L N 0.220 121.532 121.223 0.149 0.000 2.357 732 L HA -0.244 4.096 4.340 -0.000 0.000 0.220 732 L C 2.204 179.124 176.870 0.084 0.000 1.123 732 L CA 1.248 56.145 54.840 0.095 0.000 0.782 732 L CB -0.373 41.731 42.059 0.075 0.000 0.910 732 L HN 0.338 nan 8.230 nan 0.000 0.442 733 A N -1.013 121.864 122.820 0.095 0.000 2.035 733 A HA -0.083 4.237 4.320 -0.000 0.000 0.208 733 A C 2.165 179.802 177.584 0.088 0.000 1.206 733 A CA 0.436 52.514 52.037 0.068 0.000 0.773 733 A CB -0.071 18.948 19.000 0.032 0.000 0.878 733 A HN 0.364 nan 8.150 nan 0.000 0.469 734 E N 0.298 120.586 120.200 0.146 0.000 2.110 734 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 734 E C 1.633 178.303 176.600 0.116 0.000 0.988 734 E CA 1.575 58.076 56.400 0.167 0.000 0.804 734 E CB -0.074 29.813 29.700 0.312 0.000 0.745 734 E HN 0.280 nan 8.360 nan 0.000 0.458 735 V N 1.920 121.895 119.914 0.102 0.000 2.323 735 V HA -0.248 3.872 4.120 -0.000 0.000 0.244 735 V C 2.430 178.559 176.094 0.059 0.000 1.041 735 V CA 1.767 64.108 62.300 0.068 0.000 1.025 735 V CB -0.866 30.991 31.823 0.056 0.000 0.656 735 V HN 0.419 nan 8.190 nan 0.000 0.451 736 N N 0.946 119.681 118.700 0.058 0.000 2.002 736 N HA -0.183 4.556 4.740 -0.000 0.000 0.199 736 N C 0.759 176.299 175.510 0.049 0.000 1.067 736 N CA 1.222 54.301 53.050 0.049 0.000 0.870 736 N CB -0.764 37.749 38.487 0.045 0.000 1.073 736 N HN 0.382 nan 8.380 nan 0.000 0.432 737 L N 1.757 123.011 121.223 0.052 0.000 2.954 737 L HA -0.196 4.144 4.340 -0.000 0.000 0.316 737 L C 0.822 177.724 176.870 0.054 0.000 1.192 737 L CA 0.570 55.441 54.840 0.052 0.000 0.863 737 L CB -0.288 41.807 42.059 0.060 0.000 1.198 737 L HN 0.305 nan 8.230 nan 0.000 0.519 738 K N 2.469 122.900 120.400 0.051 0.000 2.138 738 K HA 0.068 4.388 4.320 -0.000 0.000 0.251 738 K C 0.495 177.131 176.600 0.060 0.000 1.015 738 K CA -0.786 55.532 56.287 0.051 0.000 0.917 738 K CB 0.568 33.096 32.500 0.047 0.000 1.021 738 K HN 0.413 nan 8.250 nan 0.000 0.485 739 D N 0.923 121.358 120.400 0.059 0.000 2.392 739 D HA -0.068 4.572 4.640 -0.000 0.000 0.228 739 D C 1.065 177.413 176.300 0.081 0.000 1.003 739 D CA 0.688 54.727 54.000 0.065 0.000 0.917 739 D CB 0.126 40.960 40.800 0.056 0.000 0.890 739 D HN 0.236 nan 8.370 nan 0.000 0.532 740 L N -0.079 121.191 121.223 0.079 0.000 2.209 740 L HA 0.043 4.382 4.340 -0.000 0.000 0.207 740 L C 0.781 177.712 176.870 0.102 0.000 1.094 740 L CA 0.263 55.157 54.840 0.089 0.000 0.790 740 L CB -1.267 40.832 42.059 0.067 0.000 0.932 740 L HN -0.063 nan 8.230 nan 0.000 0.447 741 N N 1.154 119.906 118.700 0.086 0.000 2.332 741 N HA -0.145 4.595 4.740 -0.000 0.000 0.274 741 N C 1.188 176.773 175.510 0.125 0.000 1.351 741 N CA -0.019 53.080 53.050 0.082 0.000 0.875 741 N CB 0.253 38.783 38.487 0.070 0.000 1.140 741 N HN 0.142 nan 8.380 nan 0.000 0.489 742 N N 2.807 121.569 118.700 0.103 0.000 2.104 742 N HA -0.167 4.573 4.740 -0.000 0.000 0.190 742 N C 1.413 177.075 175.510 0.254 0.000 1.024 742 N CA 1.007 54.155 53.050 0.162 0.000 0.853 742 N CB -0.207 38.182 38.487 -0.163 0.000 1.008 742 N HN 0.322 nan 8.380 nan 0.000 0.424 743 V N 1.721 121.714 119.914 0.131 0.000 2.233 743 V HA -0.238 3.881 4.120 -0.000 0.000 0.247 743 V C 2.485 178.660 176.094 0.135 0.000 1.050 743 V CA 1.723 64.098 62.300 0.125 0.000 1.010 743 V CB -0.537 31.331 31.823 0.074 0.000 0.637 743 V HN 0.357 nan 8.190 nan 0.000 0.444 744 K N -0.544 119.925 120.400 0.114 0.000 2.209 744 K HA -0.220 4.099 4.320 -0.000 0.000 0.204 744 K C 2.197 178.859 176.600 0.104 0.000 1.048 744 K CA 1.464 57.812 56.287 0.101 0.000 0.940 744 K CB -0.123 32.430 32.500 0.088 0.000 0.729 744 K HN 0.518 nan 8.250 nan 0.000 0.451 745 Q N -0.285 119.604 119.800 0.149 0.000 2.224 745 Q HA -0.109 4.231 4.340 -0.000 0.000 0.203 745 Q C 1.938 177.955 176.000 0.028 0.000 0.970 745 Q CA 1.308 57.187 55.803 0.126 0.000 0.865 745 Q CB 0.065 28.965 28.738 0.271 0.000 0.922 745 Q HN 0.450 nan 8.270 nan 0.000 0.445 746 M N -0.964 118.690 119.600 0.090 0.000 2.287 746 M HA -0.105 4.375 4.480 -0.000 0.000 0.266 746 M C 2.149 178.460 176.300 0.019 0.000 1.079 746 M CA 0.680 55.990 55.300 0.017 0.000 1.146 746 M CB 0.165 32.834 32.600 0.115 0.000 1.374 746 M HN -0.003 nan 8.290 nan 0.000 0.435 747 V N 0.662 120.608 119.914 0.054 0.000 2.295 747 V HA -0.292 3.827 4.120 -0.000 0.000 0.246 747 V C 2.355 178.468 176.094 0.032 0.000 1.049 747 V CA 1.774 64.105 62.300 0.052 0.000 1.024 747 V CB -0.425 31.444 31.823 0.077 0.000 0.648 747 V HN 0.475 nan 8.190 nan 0.000 0.447 748 M N -0.431 119.185 119.600 0.026 0.000 2.065 748 M HA -0.223 4.257 4.480 -0.000 0.000 0.259 748 M C 2.323 178.614 176.300 -0.015 0.000 1.069 748 M CA 2.407 57.712 55.300 0.009 0.000 1.110 748 M CB -0.568 32.038 32.600 0.010 0.000 1.328 748 M HN 0.411 nan 8.290 nan 0.000 0.405 749 A N -0.968 121.830 122.820 -0.037 0.000 1.969 749 A HA 0.097 4.417 4.320 -0.000 0.000 0.218 749 A C 1.966 179.524 177.584 -0.044 0.000 1.169 749 A CA 1.887 53.887 52.037 -0.061 0.000 0.635 749 A CB -0.723 18.212 19.000 -0.108 0.000 0.810 749 A HN 0.702 nan 8.150 nan 0.000 0.445 750 G N -1.695 107.090 108.800 -0.025 0.000 2.352 750 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.204 750 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.204 750 G C 0.588 175.486 174.900 -0.004 0.000 1.004 750 G CA 0.416 45.509 45.100 -0.011 0.000 0.648 750 G HN 1.458 nan 8.290 nan 0.000 0.491 751 S N 1.367 117.058 115.700 -0.014 0.000 2.558 751 S HA 0.431 4.901 4.470 -0.000 0.000 0.288 751 S C 0.494 175.104 174.600 0.018 0.000 1.318 751 S CA 0.398 58.597 58.200 -0.002 0.000 1.056 751 S CB 0.904 64.093 63.200 -0.018 0.000 0.853 751 S HN 0.605 nan 8.310 nan 0.000 0.505 752 K N 1.245 121.660 120.400 0.024 0.000 2.435 752 K HA 0.061 4.381 4.320 -0.000 0.000 0.249 752 K C 0.600 177.224 176.600 0.041 0.000 1.037 752 K CA 1.399 57.704 56.287 0.030 0.000 1.129 752 K CB -0.918 31.600 32.500 0.030 0.000 0.737 752 K HN 1.210 nan 8.250 nan 0.000 0.462 753 G N 1.392 110.217 108.800 0.041 0.000 2.952 753 G HA2 0.059 4.019 3.960 -0.000 0.000 0.431 753 G HA3 0.059 4.019 3.960 -0.000 0.000 0.431 753 G C -0.600 174.336 174.900 0.060 0.000 1.325 753 G CA -0.294 44.836 45.100 0.051 0.000 1.146 753 G HN 0.654 nan 8.290 nan 0.000 0.581 754 S N 1.924 117.664 115.700 0.067 0.000 2.739 754 S HA 0.788 5.258 4.470 -0.000 0.000 0.306 754 S C 1.212 175.893 174.600 0.134 0.000 1.115 754 S CA -0.103 58.158 58.200 0.101 0.000 0.985 754 S CB 1.721 64.977 63.200 0.094 0.000 1.133 754 S HN 1.437 nan 8.310 nan 0.000 0.541 755 F N 1.007 120.972 119.950 0.026 0.000 2.043 755 F HA -0.072 4.455 4.527 -0.000 0.000 0.297 755 F C 1.974 177.793 175.800 0.033 0.000 1.121 755 F CA 1.568 59.585 58.000 0.028 0.000 1.199 755 F CB -0.402 38.611 39.000 0.022 0.000 0.968 755 F HN 0.531 nan 8.300 nan 0.000 0.478 756 I N 1.254 121.782 120.570 -0.070 0.000 2.300 756 I HA -0.374 3.796 4.170 -0.000 0.000 0.252 756 I C 1.904 177.926 176.117 -0.159 0.000 1.119 756 I CA 1.493 62.689 61.300 -0.174 0.000 1.384 756 I CB -1.197 36.807 38.000 0.005 0.000 1.062 756 I HN 0.344 nan 8.210 nan 0.000 0.426 757 N N 0.775 119.432 118.700 -0.073 0.000 2.051 757 N HA -0.114 4.625 4.740 -0.000 0.000 0.192 757 N C 1.975 177.458 175.510 -0.045 0.000 1.049 757 N CA 1.286 54.323 53.050 -0.021 0.000 0.845 757 N CB -0.460 38.036 38.487 0.015 0.000 1.031 757 N HN 0.313 nan 8.380 nan 0.000 0.425 758 I N 1.816 122.348 120.570 -0.063 0.000 2.143 758 I HA -0.337 3.833 4.170 -0.000 0.000 0.245 758 I C 2.425 178.446 176.117 -0.161 0.000 1.068 758 I CA 1.466 62.723 61.300 -0.072 0.000 1.326 758 I CB -0.430 37.549 38.000 -0.035 0.000 1.028 758 I HN 0.100 nan 8.210 nan 0.000 0.412 759 A N -0.017 122.584 122.820 -0.365 0.000 1.892 759 A HA -0.288 4.032 4.320 -0.000 0.000 0.218 759 A C 2.259 179.697 177.584 -0.243 0.000 1.188 759 A CA 1.944 53.709 52.037 -0.454 0.000 0.631 759 A CB -0.638 17.862 19.000 -0.833 0.000 0.822 759 A HN 0.549 nan 8.150 nan 0.000 0.447 760 Q N -1.461 118.238 119.800 -0.168 0.000 2.212 760 Q HA 0.057 4.397 4.340 -0.000 0.000 0.199 760 Q C 2.212 178.165 176.000 -0.078 0.000 0.950 760 Q CA 1.080 56.793 55.803 -0.150 0.000 0.863 760 Q CB -0.146 28.568 28.738 -0.040 0.000 0.944 760 Q HN 0.708 nan 8.270 nan 0.000 0.465 761 M N -0.297 119.343 119.600 0.068 0.000 2.132 761 M HA -0.127 4.352 4.480 -0.000 0.000 0.263 761 M C 1.950 178.265 176.300 0.026 0.000 1.065 761 M CA 1.339 56.713 55.300 0.124 0.000 1.122 761 M CB 0.135 32.790 32.600 0.092 0.000 1.365 761 M HN 0.062 nan 8.290 nan 0.000 0.411 762 S N -0.338 115.349 115.700 -0.022 0.000 2.517 762 S HA 0.295 4.765 4.470 -0.000 0.000 0.228 762 S C 0.935 175.509 174.600 -0.043 0.000 1.060 762 S CA 0.235 58.421 58.200 -0.023 0.000 0.937 762 S CB 0.052 63.244 63.200 -0.013 0.000 0.840 762 S HN 0.427 nan 8.310 nan 0.000 0.546 763 A N 0.672 123.451 122.820 -0.069 0.000 2.450 763 A HA 0.508 4.828 4.320 -0.000 0.000 0.281 763 A C 0.550 178.065 177.584 -0.116 0.000 1.372 763 A CA -0.499 51.499 52.037 -0.065 0.000 0.886 763 A CB -0.544 18.428 19.000 -0.047 0.000 1.462 763 A HN 0.477 nan 8.150 nan 0.000 0.514 764 C N -0.519 118.714 119.300 -0.110 0.000 2.250 764 C HA 0.039 4.499 4.460 -0.000 0.000 0.389 764 C C 1.983 176.799 174.990 -0.290 0.000 1.488 764 C CA 0.597 59.498 59.018 -0.194 0.000 1.514 764 C CB -1.339 26.337 27.740 -0.107 0.000 2.546 764 C HN 0.550 nan 8.230 nan 0.000 0.579 765 V N 6.410 126.064 119.914 -0.434 0.000 2.427 765 V HA 0.184 4.304 4.120 -0.000 0.000 0.248 765 V C 1.543 177.393 176.094 -0.405 0.000 1.051 765 V CA 2.172 64.147 62.300 -0.540 0.000 1.048 765 V CB -1.302 30.046 31.823 -0.792 0.000 0.666 765 V HN 1.616 nan 8.190 nan 0.000 0.456 766 G N -0.344 108.167 108.800 -0.481 0.000 2.631 766 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.504 766 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.504 766 G C -0.523 174.248 174.900 -0.214 0.000 1.306 766 G CA -0.057 44.874 45.100 -0.281 0.000 0.897 766 G HN 0.531 nan 8.290 nan 0.000 0.520 767 Q N 0.343 120.259 119.800 0.193 0.000 2.297 767 Q HA 0.492 4.832 4.340 -0.000 0.000 0.267 767 Q C 0.711 176.744 176.000 0.055 0.000 1.006 767 Q CA 0.166 56.115 55.803 0.243 0.000 0.896 767 Q CB 0.614 29.512 28.738 0.267 0.000 1.186 767 Q HN 0.555 nan 8.270 nan 0.000 0.392 768 Q N 1.572 121.385 119.800 0.022 0.000 2.396 768 Q HA 0.532 4.872 4.340 -0.000 0.000 0.221 768 Q C -0.772 175.224 176.000 -0.007 0.000 1.025 768 Q CA 0.052 55.869 55.803 0.023 0.000 0.946 768 Q CB 1.439 30.214 28.738 0.062 0.000 1.224 768 Q HN 0.833 nan 8.270 nan 0.000 0.539 769 S N -1.679 114.018 115.700 -0.006 0.000 2.579 769 S HA 0.530 5.000 4.470 -0.000 0.000 0.290 769 S C -1.294 173.290 174.600 -0.026 0.000 1.123 769 S CA -0.905 57.275 58.200 -0.032 0.000 0.894 769 S CB 0.591 63.775 63.200 -0.027 0.000 1.095 769 S HN 0.188 nan 8.310 nan 0.000 0.450 770 V N 1.851 121.741 119.914 -0.040 0.000 2.540 770 V HA 0.631 4.750 4.120 -0.000 0.000 0.302 770 V C 0.143 176.217 176.094 -0.034 0.000 1.035 770 V CA -0.683 61.597 62.300 -0.033 0.000 0.873 770 V CB 0.935 32.740 31.823 -0.031 0.000 0.992 770 V HN 1.161 nan 8.190 nan 0.000 0.428 771 E N 2.906 123.090 120.200 -0.026 0.000 2.210 771 E HA -0.217 4.132 4.350 -0.000 0.000 0.201 771 E C 1.207 177.792 176.600 -0.025 0.000 1.339 771 E CA 0.695 57.082 56.400 -0.022 0.000 0.699 771 E CB -1.107 28.581 29.700 -0.021 0.000 1.126 771 E HN 1.553 nan 8.360 nan 0.000 0.355 772 G N 0.604 109.390 108.800 -0.024 0.000 2.416 772 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.301 772 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.301 772 G C 0.060 174.937 174.900 -0.038 0.000 0.985 772 G CA 1.483 46.567 45.100 -0.026 0.000 0.934 772 G HN 0.338 nan 8.290 nan 0.000 0.513 773 K N -0.984 119.386 120.400 -0.049 0.000 2.444 773 K HA 0.530 4.850 4.320 -0.000 0.000 0.252 773 K C 0.806 177.351 176.600 -0.091 0.000 0.993 773 K CA -1.197 55.049 56.287 -0.068 0.000 0.847 773 K CB 1.518 33.977 32.500 -0.068 0.000 1.340 773 K HN 0.124 nan 8.250 nan 0.000 0.446 774 R N 0.908 121.338 120.500 -0.115 0.000 2.861 774 R HA 0.104 4.444 4.340 -0.000 0.000 0.268 774 R C 0.442 176.615 176.300 -0.211 0.000 1.027 774 R CA -0.213 55.793 56.100 -0.157 0.000 1.163 774 R CB 0.016 30.218 30.300 -0.165 0.000 1.060 774 R HN 0.472 nan 8.270 nan 0.000 0.483 775 I N 1.448 121.843 120.570 -0.291 0.000 2.752 775 I HA -0.056 4.113 4.170 -0.000 0.000 0.289 775 I C 0.975 176.906 176.117 -0.310 0.000 1.197 775 I CA 0.366 61.488 61.300 -0.296 0.000 1.432 775 I CB -0.322 37.375 38.000 -0.506 0.000 1.359 775 I HN 0.589 nan 8.210 nan 0.000 0.571 776 A N 7.067 129.769 122.820 -0.195 0.000 2.302 776 A HA 0.483 4.803 4.320 -0.000 0.000 0.285 776 A C -0.108 177.416 177.584 -0.099 0.000 1.105 776 A CA -0.560 51.336 52.037 -0.235 0.000 0.816 776 A CB 0.127 19.063 19.000 -0.106 0.000 1.067 776 A HN 0.573 nan 8.150 nan 0.000 0.489 777 F N 2.301 122.245 119.950 -0.009 0.000 2.616 777 F HA 0.108 4.634 4.527 -0.000 0.000 0.331 777 F C 1.728 177.557 175.800 0.048 0.000 1.309 777 F CA 0.068 58.082 58.000 0.025 0.000 1.068 777 F CB 0.036 39.034 39.000 -0.003 0.000 1.464 777 F HN 0.825 nan 8.300 nan 0.000 0.667 778 G N 3.062 111.991 108.800 0.216 0.000 2.394 778 G HA2 -0.145 3.814 3.960 -0.000 0.000 0.214 778 G HA3 -0.145 3.814 3.960 -0.000 0.000 0.214 778 G C 0.473 175.324 174.900 -0.082 0.000 1.176 778 G CA -0.009 45.099 45.100 0.015 0.000 0.786 778 G HN 0.276 nan 8.290 nan 0.000 0.533 779 F N 0.323 120.365 119.950 0.154 0.000 2.440 779 F HA 0.342 4.869 4.527 -0.000 0.000 0.323 779 F C 0.843 176.692 175.800 0.082 0.000 1.192 779 F CA -1.012 57.051 58.000 0.105 0.000 1.252 779 F CB 0.649 39.710 39.000 0.101 0.000 1.214 779 F HN -0.190 nan 8.300 nan 0.000 0.578 780 V N 1.893 121.953 119.914 0.244 0.000 2.493 780 V HA -0.034 4.085 4.120 -0.000 0.000 0.292 780 V C 0.106 176.203 176.094 0.004 0.000 1.016 780 V CA -0.512 61.855 62.300 0.111 0.000 1.097 780 V CB -0.517 31.351 31.823 0.075 0.000 0.947 780 V HN 0.805 nan 8.190 nan 0.000 0.479 781 D N 3.499 123.846 120.400 -0.089 0.000 2.701 781 D HA -0.205 4.435 4.640 -0.000 0.000 0.235 781 D C 0.424 176.218 176.300 -0.844 0.000 1.155 781 D CA 1.444 55.139 54.000 -0.508 0.000 0.649 781 D CB -0.469 40.163 40.800 -0.280 0.000 1.050 781 D HN 1.011 nan 8.370 nan 0.000 0.425 782 R N -3.475 116.691 120.500 -0.558 0.000 2.858 782 R HA 0.269 4.609 4.340 -0.000 0.000 0.252 782 R C 0.678 177.187 176.300 0.349 0.000 1.063 782 R CA -0.485 55.465 56.100 -0.249 0.000 0.955 782 R CB 0.029 30.282 30.300 -0.078 0.000 1.259 782 R HN -0.132 nan 8.270 nan 0.000 0.477 783 T N -0.121 114.712 114.554 0.465 0.000 2.985 783 T HA 0.217 4.567 4.350 -0.000 0.000 0.266 783 T C 0.869 176.005 174.700 0.727 0.000 1.076 783 T CA 0.505 62.936 62.100 0.552 0.000 1.135 783 T CB -0.017 69.071 68.868 0.367 0.000 0.890 783 T HN 0.361 nan 8.240 nan 0.000 0.480 784 L N 0.445 122.096 121.223 0.714 0.000 2.409 784 L HA 0.416 4.756 4.340 -0.000 0.000 0.255 784 L C -2.158 174.788 176.870 0.126 0.000 1.027 784 L CA -2.658 52.525 54.840 0.571 0.000 0.834 784 L CB 2.734 45.110 42.059 0.529 0.000 1.426 784 L HN -0.286 nan 8.230 nan 0.000 0.411 785 P HA -0.004 nan 4.420 nan 0.000 0.253 785 P C 0.505 177.618 177.300 -0.312 0.000 1.281 785 P CA 0.874 63.669 63.100 -0.509 0.000 0.792 785 P CB -0.043 31.208 31.700 -0.748 0.000 1.193 786 H N -2.037 116.904 119.070 -0.214 0.000 2.586 786 H HA 0.234 4.790 4.556 -0.000 0.000 0.273 786 H C 0.273 175.323 175.328 -0.463 0.000 0.997 786 H CA -0.041 55.805 56.048 -0.337 0.000 1.177 786 H CB 0.184 29.674 29.762 -0.453 0.000 1.471 786 H HN 0.157 nan 8.280 nan 0.000 0.538 787 F N 0.348 120.349 119.950 0.085 0.000 2.572 787 F HA 0.343 4.870 4.527 -0.000 0.000 0.342 787 F C 0.886 176.685 175.800 -0.001 0.000 1.064 787 F CA -0.890 57.149 58.000 0.065 0.000 1.008 787 F CB 1.269 40.334 39.000 0.108 0.000 1.303 787 F HN -0.236 nan 8.300 nan 0.000 0.492 788 S N -0.087 115.735 115.700 0.204 0.000 2.652 788 S HA 0.295 4.764 4.470 -0.000 0.000 0.270 788 S C -0.359 174.258 174.600 0.028 0.000 1.243 788 S CA -0.856 57.391 58.200 0.077 0.000 0.999 788 S CB 0.763 63.998 63.200 0.058 0.000 0.973 788 S HN 0.344 nan 8.310 nan 0.000 0.544 789 K N 1.627 122.006 120.400 -0.034 0.000 2.485 789 K HA -0.007 4.313 4.320 -0.000 0.000 0.277 789 K C -0.343 176.175 176.600 -0.136 0.000 0.990 789 K CA 0.368 56.585 56.287 -0.117 0.000 0.994 789 K CB 0.082 32.530 32.500 -0.086 0.000 0.906 789 K HN 0.533 nan 8.250 nan 0.000 0.488 790 D N 1.754 121.972 120.400 -0.303 0.000 2.699 790 D HA -0.183 4.457 4.640 -0.000 0.000 0.239 790 D C -0.747 175.539 176.300 -0.023 0.000 1.136 790 D CA 1.028 54.914 54.000 -0.190 0.000 0.668 790 D CB -0.717 40.104 40.800 0.035 0.000 1.060 790 D HN 0.533 nan 8.370 nan 0.000 0.429 791 D N -0.069 120.241 120.400 -0.149 0.000 2.396 791 D HA 0.119 4.759 4.640 -0.000 0.000 0.225 791 D C 0.194 176.519 176.300 0.042 0.000 1.121 791 D CA -0.412 53.607 54.000 0.032 0.000 0.853 791 D CB 0.048 40.881 40.800 0.054 0.000 1.043 791 D HN 0.156 nan 8.370 nan 0.000 0.500 792 Y N 1.517 121.944 120.300 0.212 0.000 2.571 792 Y HA 0.080 4.630 4.550 -0.000 0.000 0.275 792 Y C 1.425 177.447 175.900 0.202 0.000 1.179 792 Y CA -0.430 57.831 58.100 0.268 0.000 1.242 792 Y CB 0.087 38.731 38.460 0.306 0.000 1.126 792 Y HN 0.256 nan 8.280 nan 0.000 0.524 793 S N -0.114 115.722 115.700 0.227 0.000 2.600 793 S HA 0.128 4.598 4.470 -0.000 0.000 0.265 793 S C -1.615 173.045 174.600 0.100 0.000 1.325 793 S CA -1.173 57.127 58.200 0.168 0.000 1.002 793 S CB 1.360 64.655 63.200 0.158 0.000 0.921 793 S HN -0.028 nan 8.310 nan 0.000 0.554 794 P HA -0.111 nan 4.420 nan 0.000 0.214 794 P C 1.085 178.475 177.300 0.150 0.000 1.163 794 P CA 1.506 64.649 63.100 0.071 0.000 0.883 794 P CB -0.178 31.532 31.700 0.018 0.000 0.788 795 E N -0.286 120.038 120.200 0.207 0.000 2.130 795 E HA -0.177 4.173 4.350 -0.000 0.000 0.196 795 E C 2.232 178.963 176.600 0.217 0.000 0.998 795 E CA 1.744 58.311 56.400 0.279 0.000 0.806 795 E CB -1.061 28.836 29.700 0.329 0.000 0.738 795 E HN 0.213 nan 8.360 nan 0.000 0.459 796 S N -0.181 115.485 115.700 -0.057 0.000 2.348 796 S HA -0.073 4.397 4.470 -0.000 0.000 0.219 796 S C 1.754 176.055 174.600 -0.498 0.000 1.033 796 S CA 0.946 58.741 58.200 -0.675 0.000 0.974 796 S CB -0.005 62.854 63.200 -0.568 0.000 0.868 796 S HN 0.009 nan 8.310 nan 0.000 0.459 797 K N 0.274 120.482 120.400 -0.320 0.000 2.444 797 K HA 0.286 4.606 4.320 -0.000 0.000 0.193 797 K C 0.625 176.935 176.600 -0.484 0.000 1.024 797 K CA 0.647 56.704 56.287 -0.383 0.000 1.077 797 K CB 0.080 32.448 32.500 -0.220 0.000 0.833 797 K HN 0.500 nan 8.250 nan 0.000 0.517 798 G N 0.346 108.855 108.800 -0.485 0.000 2.155 798 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.135 798 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.135 798 G C -0.610 174.274 174.900 -0.028 0.000 1.023 798 G CA -0.531 44.264 45.100 -0.509 0.000 0.688 798 G HN 0.206 nan 8.290 nan 0.000 0.499 799 F N 2.061 121.966 119.950 -0.075 0.000 2.444 799 F HA 0.559 5.086 4.527 -0.000 0.000 0.360 799 F C 0.604 176.418 175.800 0.025 0.000 1.106 799 F CA -0.951 57.033 58.000 -0.026 0.000 1.170 799 F CB 1.188 40.181 39.000 -0.011 0.000 1.113 799 F HN 0.016 nan 8.300 nan 0.000 0.521 800 V N 8.084 127.771 119.914 -0.379 0.000 2.405 800 V HA 0.015 4.135 4.120 -0.000 0.000 0.264 800 V C 1.204 176.823 176.094 -0.793 0.000 1.048 800 V CA 0.094 62.149 62.300 -0.408 0.000 0.966 800 V CB 0.855 32.461 31.823 -0.362 0.000 1.015 800 V HN 0.917 nan 8.190 nan 0.000 0.477 801 E N 4.524 124.412 120.200 -0.520 0.000 2.072 801 E HA -0.083 4.266 4.350 -0.000 0.000 0.190 801 E C 0.856 177.269 176.600 -0.312 0.000 0.982 801 E CA 0.463 56.599 56.400 -0.440 0.000 0.803 801 E CB 0.254 29.908 29.700 -0.076 0.000 0.755 801 E HN 0.736 nan 8.360 nan 0.000 0.453 802 N N 1.364 119.923 118.700 -0.235 0.000 2.503 802 N HA -0.000 4.740 4.740 -0.000 0.000 0.267 802 N C -0.241 175.115 175.510 -0.257 0.000 1.214 802 N CA 0.281 53.222 53.050 -0.181 0.000 0.959 802 N CB 1.392 39.814 38.487 -0.108 0.000 1.142 802 N HN 0.125 nan 8.380 nan 0.000 0.455 803 S N 0.743 116.333 115.700 -0.184 0.000 2.596 803 S HA 0.077 4.547 4.470 -0.000 0.000 0.260 803 S C 1.106 175.604 174.600 -0.170 0.000 1.336 803 S CA -0.227 57.855 58.200 -0.197 0.000 0.993 803 S CB 0.240 63.389 63.200 -0.085 0.000 0.923 803 S HN 0.539 nan 8.310 nan 0.000 0.567 804 Y N -0.259 120.013 120.300 -0.047 0.000 2.337 804 Y HA 0.009 4.559 4.550 -0.000 0.000 0.293 804 Y C 2.243 178.141 175.900 -0.003 0.000 1.123 804 Y CA 0.616 58.707 58.100 -0.014 0.000 1.201 804 Y CB -0.233 38.226 38.460 -0.001 0.000 1.011 804 Y HN 0.594 nan 8.280 nan 0.000 0.545 805 L N 0.477 121.782 121.223 0.137 0.000 2.012 805 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 805 L C 2.307 179.207 176.870 0.050 0.000 1.073 805 L CA 1.832 56.717 54.840 0.075 0.000 0.748 805 L CB -0.273 41.812 42.059 0.043 0.000 0.891 805 L HN 0.037 nan 8.230 nan 0.000 0.431 806 R N -0.139 120.377 120.500 0.027 0.000 2.189 806 R HA 0.149 4.489 4.340 -0.000 0.000 0.223 806 R C 0.630 176.945 176.300 0.026 0.000 1.092 806 R CA 0.549 56.657 56.100 0.014 0.000 0.989 806 R CB -0.286 30.008 30.300 -0.010 0.000 0.876 806 R HN 0.623 nan 8.270 nan 0.000 0.457 807 G N 0.044 108.876 108.800 0.052 0.000 2.712 807 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.686 807 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.686 807 G C -1.332 173.604 174.900 0.061 0.000 1.321 807 G CA -1.031 44.114 45.100 0.076 0.000 0.813 807 G HN 0.020 nan 8.290 nan 0.000 0.599 808 L N 1.489 122.779 121.223 0.112 0.000 2.325 808 L HA 0.693 5.033 4.340 -0.000 0.000 0.278 808 L C 1.544 178.481 176.870 0.112 0.000 1.023 808 L CA 0.140 55.049 54.840 0.115 0.000 0.811 808 L CB 1.645 43.839 42.059 0.225 0.000 1.249 808 L HN 1.088 nan 8.230 nan 0.000 0.431 809 T N 0.230 114.835 114.554 0.084 0.000 2.855 809 T HA 0.149 4.499 4.350 -0.000 0.000 0.314 809 T C -1.892 172.869 174.700 0.102 0.000 1.077 809 T CA -1.112 61.028 62.100 0.066 0.000 1.095 809 T CB 0.373 69.274 68.868 0.055 0.000 0.987 809 T HN 0.439 nan 8.240 nan 0.000 0.546 810 P HA -0.156 nan 4.420 nan 0.000 0.216 810 P C 1.622 178.948 177.300 0.043 0.000 1.154 810 P CA 1.278 64.404 63.100 0.043 0.000 0.865 810 P CB 0.014 31.671 31.700 -0.072 0.000 0.789 811 Q N -0.171 119.576 119.800 -0.090 0.000 1.993 811 Q HA -0.174 4.165 4.340 -0.000 0.000 0.202 811 Q C 2.195 178.102 176.000 -0.155 0.000 0.984 811 Q CA 1.608 57.258 55.803 -0.256 0.000 0.837 811 Q CB -0.999 27.702 28.738 -0.062 0.000 0.902 811 Q HN 0.346 nan 8.270 nan 0.000 0.423 812 E N -0.243 120.029 120.200 0.120 0.000 2.114 812 E HA -0.227 4.123 4.350 -0.000 0.000 0.199 812 E C 1.648 178.384 176.600 0.227 0.000 1.008 812 E CA 1.199 57.731 56.400 0.220 0.000 0.810 812 E CB -0.248 29.535 29.700 0.138 0.000 0.739 812 E HN 0.295 nan 8.360 nan 0.000 0.456 813 F N -0.060 119.945 119.950 0.092 0.000 2.186 813 F HA -0.161 4.366 4.527 -0.000 0.000 0.299 813 F C 1.904 177.788 175.800 0.139 0.000 1.090 813 F CA 1.154 59.234 58.000 0.134 0.000 1.307 813 F CB -0.135 38.922 39.000 0.095 0.000 1.019 813 F HN -0.032 nan 8.300 nan 0.000 0.489 814 F N -0.486 119.445 119.950 -0.032 0.000 2.293 814 F HA -0.029 4.498 4.527 -0.000 0.000 0.297 814 F C 1.834 177.580 175.800 -0.090 0.000 1.089 814 F CA 1.272 59.188 58.000 -0.140 0.000 1.377 814 F CB -0.553 38.354 39.000 -0.155 0.000 1.051 814 F HN -0.037 nan 8.300 nan 0.000 0.511 815 F N -1.474 118.575 119.950 0.166 0.000 2.259 815 F HA -0.172 4.354 4.527 -0.000 0.000 0.298 815 F C 2.522 178.330 175.800 0.013 0.000 1.088 815 F CA 0.843 58.892 58.000 0.082 0.000 1.358 815 F CB -0.477 38.602 39.000 0.132 0.000 1.040 815 F HN 0.033 nan 8.300 nan 0.000 0.505 816 H N 0.680 119.787 119.070 0.060 0.000 2.389 816 H HA -0.043 4.512 4.556 -0.000 0.000 0.299 816 H C 2.087 177.301 175.328 -0.189 0.000 1.081 816 H CA 1.212 57.227 56.048 -0.055 0.000 1.345 816 H CB -0.339 29.386 29.762 -0.062 0.000 1.393 816 H HN 0.142 nan 8.280 nan 0.000 0.520 817 A N 0.260 122.845 122.820 -0.391 0.000 1.972 817 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 817 A C 2.585 179.928 177.584 -0.402 0.000 1.169 817 A CA 1.589 53.297 52.037 -0.549 0.000 0.635 817 A CB -0.606 17.958 19.000 -0.727 0.000 0.810 817 A HN 0.468 nan 8.150 nan 0.000 0.446 818 M N -0.859 118.549 119.600 -0.319 0.000 2.077 818 M HA -0.073 4.407 4.480 -0.000 0.000 0.261 818 M C 2.367 178.604 176.300 -0.106 0.000 1.070 818 M CA 1.495 56.676 55.300 -0.198 0.000 1.125 818 M CB -0.579 31.991 32.600 -0.050 0.000 1.339 818 M HN 0.501 nan 8.290 nan 0.000 0.409 819 G N -0.347 108.428 108.800 -0.041 0.000 2.422 819 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.218 819 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.218 819 G C 1.460 176.324 174.900 -0.060 0.000 1.146 819 G CA 1.010 46.104 45.100 -0.010 0.000 0.769 819 G HN 0.569 nan 8.290 nan 0.000 0.547 820 G N 0.688 109.400 108.800 -0.146 0.000 2.433 820 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 820 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 820 G C 1.843 176.654 174.900 -0.148 0.000 1.186 820 G CA 1.146 46.128 45.100 -0.197 0.000 0.779 820 G HN 0.464 nan 8.290 nan 0.000 0.543 821 R N 0.639 121.042 120.500 -0.162 0.000 2.105 821 R HA -0.055 4.285 4.340 -0.000 0.000 0.239 821 R C 2.348 178.597 176.300 -0.085 0.000 1.135 821 R CA 1.827 57.853 56.100 -0.124 0.000 0.967 821 R CB -0.489 29.730 30.300 -0.136 0.000 0.861 821 R HN 0.488 nan 8.270 nan 0.000 0.442 822 E N -0.865 119.290 120.200 -0.074 0.000 2.038 822 E HA -0.167 4.182 4.350 -0.000 0.000 0.195 822 E C 1.809 178.382 176.600 -0.044 0.000 1.000 822 E CA 1.491 57.862 56.400 -0.050 0.000 0.803 822 E CB -0.426 29.252 29.700 -0.038 0.000 0.750 822 E HN 0.567 nan 8.360 nan 0.000 0.448 823 G N 1.731 110.504 108.800 -0.045 0.000 2.553 823 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.218 823 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.218 823 G C 1.658 176.533 174.900 -0.043 0.000 1.195 823 G CA 1.524 46.600 45.100 -0.039 0.000 0.779 823 G HN 0.236 nan 8.290 nan 0.000 0.577 824 L N -0.138 121.052 121.223 -0.055 0.000 2.056 824 L HA 0.061 4.401 4.340 -0.000 0.000 0.207 824 L C 2.854 179.699 176.870 -0.043 0.000 1.078 824 L CA 0.497 55.307 54.840 -0.051 0.000 0.749 824 L CB -0.603 41.420 42.059 -0.060 0.000 0.901 824 L HN 0.142 nan 8.230 nan 0.000 0.433 825 I N 1.455 121.999 120.570 -0.044 0.000 2.118 825 I HA -0.334 3.835 4.170 -0.000 0.000 0.241 825 I C 1.766 177.865 176.117 -0.031 0.000 1.070 825 I CA 2.216 63.494 61.300 -0.037 0.000 1.327 825 I CB -0.279 37.699 38.000 -0.036 0.000 1.034 825 I HN 0.485 nan 8.210 nan 0.000 0.405 826 D N -2.115 118.268 120.400 -0.029 0.000 2.339 826 D HA -0.062 4.578 4.640 -0.000 0.000 0.217 826 D C 1.629 177.914 176.300 -0.024 0.000 1.050 826 D CA 0.216 54.201 54.000 -0.024 0.000 0.856 826 D CB -0.110 40.678 40.800 -0.020 0.000 0.922 826 D HN 0.031 nan 8.370 nan 0.000 0.518 827 T N -0.338 114.199 114.554 -0.027 0.000 2.951 827 T HA 0.022 4.371 4.350 -0.000 0.000 0.268 827 T C 1.978 176.663 174.700 -0.026 0.000 1.073 827 T CA 1.118 63.202 62.100 -0.027 0.000 1.134 827 T CB -0.137 68.712 68.868 -0.030 0.000 0.884 827 T HN 0.370 nan 8.240 nan 0.000 0.479 828 A N 0.297 123.101 122.820 -0.026 0.000 2.016 828 A HA 0.098 4.417 4.320 -0.000 0.000 0.217 828 A C 2.389 179.960 177.584 -0.022 0.000 1.162 828 A CA 0.751 52.773 52.037 -0.024 0.000 0.662 828 A CB -0.472 18.513 19.000 -0.026 0.000 0.812 828 A HN 0.373 nan 8.150 nan 0.000 0.450 829 V N 0.004 119.905 119.914 -0.021 0.000 2.255 829 V HA -0.197 3.923 4.120 -0.000 0.000 0.243 829 V C 2.450 178.536 176.094 -0.014 0.000 1.038 829 V CA 2.262 64.550 62.300 -0.019 0.000 1.008 829 V CB -0.639 31.173 31.823 -0.018 0.000 0.645 829 V HN 0.414 nan 8.190 nan 0.000 0.449 830 K N -0.046 120.345 120.400 -0.014 0.000 2.113 830 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 830 K C 2.336 178.929 176.600 -0.012 0.000 1.047 830 K CA 2.015 58.294 56.287 -0.013 0.000 0.928 830 K CB -0.860 31.629 32.500 -0.018 0.000 0.716 830 K HN 0.433 nan 8.250 nan 0.000 0.446 831 T N -0.549 113.996 114.554 -0.016 0.000 2.737 831 T HA -0.075 4.275 4.350 -0.000 0.000 0.265 831 T C 1.696 176.394 174.700 -0.004 0.000 1.038 831 T CA 1.367 63.458 62.100 -0.015 0.000 1.144 831 T CB -0.205 68.652 68.868 -0.019 0.000 0.866 831 T HN 0.329 nan 8.240 nan 0.000 0.434 832 A N 0.747 123.565 122.820 -0.004 0.000 1.897 832 A HA -0.005 4.315 4.320 -0.000 0.000 0.215 832 A C 2.157 179.757 177.584 0.026 0.000 1.181 832 A CA 1.565 53.603 52.037 0.002 0.000 0.620 832 A CB -0.463 18.528 19.000 -0.016 0.000 0.821 832 A HN 0.597 nan 8.150 nan 0.000 0.443 833 E N -0.820 119.395 120.200 0.024 0.000 2.046 833 E HA -0.102 4.248 4.350 -0.000 0.000 0.190 833 E C 2.096 178.752 176.600 0.094 0.000 0.982 833 E CA 1.518 57.956 56.400 0.063 0.000 0.800 833 E CB -0.219 29.501 29.700 0.035 0.000 0.756 833 E HN 0.570 nan 8.360 nan 0.000 0.449 834 T N 0.236 114.814 114.554 0.039 0.000 2.720 834 T HA -0.158 4.191 4.350 -0.000 0.000 0.268 834 T C 1.893 176.602 174.700 0.014 0.000 1.037 834 T CA 1.187 63.294 62.100 0.013 0.000 1.144 834 T CB -0.677 68.182 68.868 -0.014 0.000 0.864 834 T HN 0.372 nan 8.240 nan 0.000 0.444 835 G N 0.134 108.951 108.800 0.029 0.000 2.505 835 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.220 835 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.220 835 G C 1.385 176.317 174.900 0.054 0.000 1.145 835 G CA 1.229 46.346 45.100 0.029 0.000 0.761 835 G HN 0.650 nan 8.290 nan 0.000 0.571 836 Y N 0.544 120.820 120.300 -0.039 0.000 2.347 836 Y HA 0.264 4.814 4.550 -0.000 0.000 0.294 836 Y C 2.518 178.392 175.900 -0.043 0.000 1.117 836 Y CA 0.397 58.473 58.100 -0.039 0.000 1.184 836 Y CB -0.023 38.414 38.460 -0.037 0.000 1.047 836 Y HN 0.138 nan 8.280 nan 0.000 0.546 837 I N 0.641 121.156 120.570 -0.092 0.000 2.091 837 I HA -0.379 3.791 4.170 -0.000 0.000 0.239 837 I C 2.607 178.597 176.117 -0.211 0.000 1.061 837 I CA 1.827 63.017 61.300 -0.183 0.000 1.317 837 I CB -0.498 37.473 38.000 -0.049 0.000 1.031 837 I HN 0.351 nan 8.210 nan 0.000 0.401 838 Q N 0.959 120.678 119.800 -0.134 0.000 2.152 838 Q HA -0.244 4.096 4.340 -0.000 0.000 0.206 838 Q C 2.250 178.165 176.000 -0.141 0.000 0.985 838 Q CA 1.787 57.519 55.803 -0.119 0.000 0.863 838 Q CB -0.088 28.599 28.738 -0.085 0.000 0.904 838 Q HN 0.490 nan 8.270 nan 0.000 0.422 839 R N -0.770 119.624 120.500 -0.177 0.000 2.193 839 R HA 0.005 4.344 4.340 -0.000 0.000 0.213 839 R C 2.229 178.383 176.300 -0.243 0.000 1.055 839 R CA 0.471 56.464 56.100 -0.179 0.000 0.995 839 R CB 0.156 30.368 30.300 -0.146 0.000 0.893 839 R HN 0.052 nan 8.270 nan 0.000 0.459 840 R N 0.518 120.800 120.500 -0.363 0.000 2.064 840 R HA 0.069 4.409 4.340 -0.000 0.000 0.221 840 R C 2.263 178.440 176.300 -0.204 0.000 1.136 840 R CA 0.752 56.649 56.100 -0.338 0.000 0.980 840 R CB -0.851 29.156 30.300 -0.488 0.000 0.876 840 R HN 0.201 nan 8.270 nan 0.000 0.437 841 L N 0.781 121.895 121.223 -0.182 0.000 2.051 841 L HA -0.241 4.099 4.340 -0.000 0.000 0.214 841 L C 2.396 179.207 176.870 -0.098 0.000 1.076 841 L CA 1.357 56.124 54.840 -0.122 0.000 0.758 841 L CB -0.499 41.494 42.059 -0.109 0.000 0.890 841 L HN -0.030 nan 8.230 nan 0.000 0.433 842 V N -0.328 119.525 119.914 -0.102 0.000 2.221 842 V HA -0.325 3.795 4.120 -0.000 0.000 0.242 842 V C 2.464 178.515 176.094 -0.072 0.000 1.041 842 V CA 1.988 64.240 62.300 -0.079 0.000 0.995 842 V CB -0.560 31.218 31.823 -0.075 0.000 0.635 842 V HN 0.436 nan 8.190 nan 0.000 0.448 843 K N -0.022 120.329 120.400 -0.082 0.000 2.127 843 K HA -0.334 3.986 4.320 -0.000 0.000 0.212 843 K C 2.076 178.642 176.600 -0.056 0.000 1.050 843 K CA 2.041 58.287 56.287 -0.068 0.000 0.929 843 K CB -0.408 32.043 32.500 -0.082 0.000 0.715 843 K HN 0.462 nan 8.250 nan 0.000 0.457 844 A N 1.167 123.947 122.820 -0.067 0.000 1.841 844 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 844 A C 1.878 179.443 177.584 -0.032 0.000 1.199 844 A CA 1.627 53.635 52.037 -0.049 0.000 0.621 844 A CB -0.560 18.404 19.000 -0.059 0.000 0.835 844 A HN 0.359 nan 8.150 nan 0.000 0.445 845 L N -0.460 120.743 121.223 -0.034 0.000 2.645 845 L HA 0.130 4.469 4.340 -0.000 0.000 0.234 845 L C 1.811 178.667 176.870 -0.023 0.000 1.165 845 L CA 0.338 55.166 54.840 -0.020 0.000 0.944 845 L CB -0.558 41.493 42.059 -0.013 0.000 1.149 845 L HN 0.562 nan 8.230 nan 0.000 0.446 846 E N 1.617 121.799 120.200 -0.030 0.000 2.204 846 E HA -0.224 4.125 4.350 -0.000 0.000 0.195 846 E C 1.016 177.597 176.600 -0.031 0.000 0.990 846 E CA 1.572 57.951 56.400 -0.034 0.000 0.821 846 E CB 0.309 29.988 29.700 -0.035 0.000 0.750 846 E HN 0.625 nan 8.360 nan 0.000 0.477 847 D N -0.639 119.748 120.400 -0.022 0.000 2.398 847 D HA 0.037 4.677 4.640 -0.000 0.000 0.210 847 D C 0.416 176.707 176.300 -0.014 0.000 1.094 847 D CA -0.217 53.773 54.000 -0.017 0.000 0.839 847 D CB -0.144 40.654 40.800 -0.002 0.000 0.963 847 D HN 0.150 nan 8.370 nan 0.000 0.506 848 I N 1.342 121.901 120.570 -0.017 0.000 2.533 848 I HA 0.145 4.315 4.170 -0.000 0.000 0.284 848 I C 0.432 176.508 176.117 -0.068 0.000 1.109 848 I CA 0.084 61.376 61.300 -0.014 0.000 1.412 848 I CB 0.653 38.654 38.000 0.002 0.000 1.396 848 I HN -0.010 nan 8.210 nan 0.000 0.543 849 M N 6.546 126.085 119.600 -0.103 0.000 2.501 849 M HA 0.489 4.969 4.480 -0.000 0.000 0.293 849 M C -1.726 174.388 176.300 -0.310 0.000 1.192 849 M CA -0.757 54.389 55.300 -0.256 0.000 0.886 849 M CB 2.202 34.584 32.600 -0.363 0.000 1.710 849 M HN 0.181 nan 8.290 nan 0.000 0.457 850 V N 5.156 124.862 119.914 -0.346 0.000 2.353 850 V HA 0.305 4.424 4.120 -0.000 0.000 0.264 850 V C 0.271 176.176 176.094 -0.316 0.000 1.049 850 V CA -0.419 61.727 62.300 -0.256 0.000 0.896 850 V CB -0.037 31.607 31.823 -0.298 0.000 1.025 850 V HN 0.798 nan 8.190 nan 0.000 0.475 851 H N 3.357 122.361 119.070 -0.110 0.000 2.509 851 H HA 0.154 4.709 4.556 -0.000 0.000 0.360 851 H C 0.446 175.711 175.328 -0.106 0.000 1.398 851 H CA -0.126 55.869 56.048 -0.089 0.000 1.429 851 H CB 1.038 30.809 29.762 0.014 0.000 1.611 851 H HN 0.538 nan 8.280 nan 0.000 0.606 852 Y N 0.557 120.942 120.300 0.141 0.000 2.497 852 Y HA -0.161 4.389 4.550 -0.000 0.000 0.292 852 Y C 1.744 177.671 175.900 0.045 0.000 1.137 852 Y CA 1.103 59.237 58.100 0.057 0.000 1.285 852 Y CB -0.016 38.470 38.460 0.043 0.000 0.991 852 Y HN 0.600 nan 8.280 nan 0.000 0.556 853 D N -1.965 118.546 120.400 0.185 0.000 2.328 853 D HA -0.072 4.567 4.640 -0.000 0.000 0.226 853 D C 0.422 176.780 176.300 0.097 0.000 1.066 853 D CA 0.265 54.340 54.000 0.124 0.000 0.861 853 D CB -0.616 40.248 40.800 0.107 0.000 0.912 853 D HN 0.230 nan 8.370 nan 0.000 0.521 854 N N -1.012 117.733 118.700 0.074 0.000 2.900 854 N HA -0.187 4.552 4.740 -0.000 0.000 0.240 854 N C -0.131 175.437 175.510 0.097 0.000 0.953 854 N CA 1.304 54.392 53.050 0.063 0.000 0.950 854 N CB -1.641 36.885 38.487 0.066 0.000 1.102 854 N HN 0.319 nan 8.380 nan 0.000 0.593 855 T N 0.763 115.378 114.554 0.102 0.000 2.855 855 T HA 0.200 4.550 4.350 -0.000 0.000 0.314 855 T C 0.270 175.037 174.700 0.111 0.000 1.077 855 T CA 0.675 62.826 62.100 0.085 0.000 1.095 855 T CB 0.672 69.562 68.868 0.036 0.000 0.987 855 T HN 0.087 nan 8.240 nan 0.000 0.546 856 T N 4.904 119.505 114.554 0.079 0.000 2.847 856 T HA 0.542 4.892 4.350 -0.000 0.000 0.291 856 T C -0.346 174.397 174.700 0.072 0.000 0.998 856 T CA -0.620 61.538 62.100 0.097 0.000 0.967 856 T CB 0.838 69.780 68.868 0.124 0.000 0.954 856 T HN 0.447 nan 8.240 nan 0.000 0.441 857 R N 2.103 122.703 120.500 0.167 0.000 2.837 857 R HA 0.478 4.817 4.340 -0.000 0.000 0.271 857 R C 0.135 176.509 176.300 0.123 0.000 0.993 857 R CA -1.027 55.133 56.100 0.101 0.000 0.931 857 R CB 1.949 32.251 30.300 0.002 0.000 1.206 857 R HN 0.800 nan 8.270 nan 0.000 0.474 858 N N -1.033 117.697 118.700 0.049 0.000 2.413 858 N HA 0.039 4.779 4.740 -0.000 0.000 0.266 858 N C 0.619 176.161 175.510 0.053 0.000 1.238 858 N CA -0.348 52.727 53.050 0.042 0.000 0.972 858 N CB 0.957 39.453 38.487 0.015 0.000 1.210 858 N HN 0.518 nan 8.380 nan 0.000 0.547 859 S N 0.425 116.148 115.700 0.038 0.000 2.392 859 S HA -0.228 4.241 4.470 -0.000 0.000 0.232 859 S C 1.875 176.490 174.600 0.024 0.000 1.041 859 S CA 1.217 59.438 58.200 0.035 0.000 1.026 859 S CB -0.906 62.306 63.200 0.020 0.000 0.845 859 S HN 0.557 nan 8.310 nan 0.000 0.465 860 L N 0.882 122.112 121.223 0.011 0.000 2.093 860 L HA 0.181 4.521 4.340 -0.000 0.000 0.208 860 L C 2.283 179.145 176.870 -0.014 0.000 1.085 860 L CA 0.920 55.761 54.840 0.001 0.000 0.755 860 L CB -0.862 41.197 42.059 -0.001 0.000 0.904 860 L HN 0.648 nan 8.230 nan 0.000 0.435 861 G N -1.391 107.394 108.800 -0.025 0.000 2.205 861 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.180 861 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.180 861 G C -0.105 174.744 174.900 -0.085 0.000 1.004 861 G CA -0.558 44.498 45.100 -0.074 0.000 0.670 861 G HN 0.242 nan 8.290 nan 0.000 0.496 862 N N 0.840 119.506 118.700 -0.055 0.000 2.458 862 N HA 0.292 5.031 4.740 -0.000 0.000 0.258 862 N C 0.611 176.053 175.510 -0.114 0.000 1.219 862 N CA 0.158 53.167 53.050 -0.068 0.000 0.902 862 N CB 1.602 40.066 38.487 -0.038 0.000 1.076 862 N HN 0.128 nan 8.380 nan 0.000 0.455 863 V N 3.832 123.632 119.914 -0.191 0.000 2.479 863 V HA 0.046 4.166 4.120 -0.000 0.000 0.281 863 V C 1.648 177.576 176.094 -0.277 0.000 1.031 863 V CA 0.168 62.260 62.300 -0.348 0.000 1.038 863 V CB 0.038 31.408 31.823 -0.755 0.000 0.981 863 V HN 0.601 nan 8.190 nan 0.000 0.478 864 I N 2.791 123.247 120.570 -0.189 0.000 2.947 864 I HA 0.127 4.297 4.170 -0.000 0.000 0.263 864 I C 0.832 176.890 176.117 -0.097 0.000 1.130 864 I CA 0.543 61.784 61.300 -0.098 0.000 1.448 864 I CB 0.298 38.281 38.000 -0.029 0.000 1.222 864 I HN 0.564 nan 8.210 nan 0.000 0.453 865 Q N 0.001 119.744 119.800 -0.095 0.000 2.321 865 Q HA 0.312 4.651 4.340 -0.000 0.000 0.270 865 Q C -0.392 175.568 176.000 -0.068 0.000 1.032 865 Q CA -0.508 55.279 55.803 -0.026 0.000 0.784 865 Q CB 2.240 31.014 28.738 0.060 0.000 1.264 865 Q HN 0.125 nan 8.270 nan 0.000 0.448 866 F N 1.229 121.210 119.950 0.051 0.000 2.604 866 F HA 0.110 4.636 4.527 -0.000 0.000 0.298 866 F C 0.791 176.625 175.800 0.057 0.000 1.131 866 F CA 0.828 58.856 58.000 0.047 0.000 1.457 866 F CB 0.530 39.549 39.000 0.032 0.000 1.095 866 F HN 0.394 nan 8.300 nan 0.000 0.574 867 I N -1.488 119.206 120.570 0.207 0.000 2.743 867 I HA 0.099 4.269 4.170 -0.000 0.000 0.292 867 I C -1.251 174.957 176.117 0.151 0.000 1.343 867 I CA -1.230 60.167 61.300 0.161 0.000 1.038 867 I CB 1.402 39.484 38.000 0.138 0.000 1.311 867 I HN -0.270 nan 8.210 nan 0.000 0.426 868 Y N 7.120 127.439 120.300 0.032 0.000 2.729 868 Y HA 0.276 4.825 4.550 -0.000 0.000 0.331 868 Y C 1.203 177.118 175.900 0.024 0.000 1.208 868 Y CA 0.949 59.056 58.100 0.011 0.000 1.521 868 Y CB 0.319 38.772 38.460 -0.012 0.000 1.233 868 Y HN 0.770 nan 8.280 nan 0.000 0.539 869 G N 5.295 113.775 108.800 -0.532 0.000 2.390 869 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.299 869 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.299 869 G C 0.455 175.291 174.900 -0.107 0.000 1.002 869 G CA 0.790 45.616 45.100 -0.458 0.000 0.979 869 G HN 1.012 nan 8.290 nan 0.000 0.513 870 E N -2.200 117.992 120.200 -0.012 0.000 3.680 870 E HA -0.345 4.004 4.350 -0.000 0.000 0.309 870 E C 1.094 177.718 176.600 0.041 0.000 0.793 870 E CA 1.814 58.242 56.400 0.047 0.000 1.083 870 E CB -0.730 29.013 29.700 0.072 0.000 1.548 870 E HN 0.872 nan 8.360 nan 0.000 0.456 871 D N -1.627 118.789 120.400 0.026 0.000 2.516 871 D HA 0.170 4.810 4.640 -0.000 0.000 0.241 871 D C 1.134 177.463 176.300 0.049 0.000 1.246 871 D CA 0.656 54.687 54.000 0.053 0.000 0.808 871 D CB -0.051 40.787 40.800 0.062 0.000 1.147 871 D HN 0.273 nan 8.370 nan 0.000 0.527 872 G N 0.647 109.480 108.800 0.054 0.000 2.168 872 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.257 872 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.257 872 G C 0.016 174.941 174.900 0.042 0.000 0.997 872 G CA 0.724 45.875 45.100 0.085 0.000 0.708 872 G HN 0.330 nan 8.290 nan 0.000 0.520 873 M N 1.127 120.739 119.600 0.020 0.000 2.274 873 M HA 0.419 4.899 4.480 -0.000 0.000 0.344 873 M C 0.246 176.631 176.300 0.143 0.000 1.161 873 M CA -1.661 53.634 55.300 -0.009 0.000 1.126 873 M CB 1.162 33.735 32.600 -0.046 0.000 1.522 873 M HN 0.231 nan 8.290 nan 0.000 0.461 874 D N 1.885 122.366 120.400 0.135 0.000 2.277 874 D HA 0.283 4.922 4.640 -0.000 0.000 0.249 874 D C 0.288 176.725 176.300 0.228 0.000 1.134 874 D CA -0.022 54.118 54.000 0.232 0.000 0.863 874 D CB 1.436 42.360 40.800 0.206 0.000 1.143 874 D HN 0.731 nan 8.370 nan 0.000 0.458 875 A N 3.534 126.483 122.820 0.216 0.000 2.178 875 A HA -0.018 4.302 4.320 -0.000 0.000 0.218 875 A C 1.797 179.465 177.584 0.141 0.000 1.157 875 A CA 1.474 53.602 52.037 0.151 0.000 0.689 875 A CB -0.197 18.863 19.000 0.101 0.000 0.787 875 A HN 0.623 nan 8.150 nan 0.000 0.465 876 A N -2.064 120.827 122.820 0.119 0.000 2.251 876 A HA 0.117 4.436 4.320 -0.000 0.000 0.209 876 A C 1.242 178.708 177.584 -0.196 0.000 1.187 876 A CA 0.356 52.375 52.037 -0.029 0.000 0.823 876 A CB -0.386 18.563 19.000 -0.085 0.000 0.846 876 A HN 0.614 nan 8.150 nan 0.000 0.486 877 H N -1.367 117.748 119.070 0.076 0.000 2.662 877 H HA 0.366 4.922 4.556 -0.000 0.000 0.268 877 H C -0.797 174.578 175.328 0.079 0.000 1.152 877 H CA -0.143 55.946 56.048 0.067 0.000 1.072 877 H CB 0.473 30.241 29.762 0.010 0.000 1.660 877 H HN 0.336 nan 8.280 nan 0.000 0.584 878 I N 2.013 122.694 120.570 0.185 0.000 2.412 878 I HA 0.134 4.303 4.170 -0.000 0.000 0.296 878 I C 0.007 176.246 176.117 0.204 0.000 0.987 878 I CA -0.353 61.056 61.300 0.182 0.000 1.180 878 I CB 1.856 39.964 38.000 0.181 0.000 1.340 878 I HN -0.014 nan 8.210 nan 0.000 0.455 879 E N 5.051 125.350 120.200 0.164 0.000 2.277 879 E HA 0.354 4.704 4.350 -0.000 0.000 0.266 879 E C -1.018 175.640 176.600 0.098 0.000 0.901 879 E CA -1.202 55.268 56.400 0.118 0.000 0.782 879 E CB 2.296 31.991 29.700 -0.009 0.000 1.228 879 E HN 0.346 nan 8.360 nan 0.000 0.424 880 K N 1.819 122.251 120.400 0.053 0.000 2.451 880 K HA 0.016 4.336 4.320 -0.000 0.000 0.280 880 K C -0.433 176.167 176.600 0.001 0.000 1.020 880 K CA 0.676 56.961 56.287 -0.003 0.000 1.008 880 K CB 0.492 32.942 32.500 -0.084 0.000 0.917 880 K HN 0.385 nan 8.250 nan 0.000 0.478 881 Q N 1.170 120.979 119.800 0.015 0.000 2.416 881 Q HA 0.161 4.501 4.340 -0.000 0.000 0.281 881 Q C -1.357 174.647 176.000 0.006 0.000 1.067 881 Q CA -0.791 55.025 55.803 0.021 0.000 0.809 881 Q CB 2.243 31.017 28.738 0.060 0.000 1.418 881 Q HN 0.560 nan 8.270 nan 0.000 0.411 882 S N 2.017 117.722 115.700 0.009 0.000 2.416 882 S HA 0.330 4.800 4.470 -0.000 0.000 0.287 882 S C -0.362 174.266 174.600 0.047 0.000 1.139 882 S CA -0.549 57.657 58.200 0.010 0.000 1.058 882 S CB -0.189 63.020 63.200 0.016 0.000 0.967 882 S HN 0.446 nan 8.310 nan 0.000 0.495 883 L N 5.773 127.032 121.223 0.060 0.000 2.385 883 L HA 0.254 4.593 4.340 -0.000 0.000 0.285 883 L C 0.885 177.823 176.870 0.113 0.000 1.125 883 L CA -0.468 54.427 54.840 0.092 0.000 0.890 883 L CB 0.347 42.475 42.059 0.116 0.000 1.251 883 L HN 0.688 nan 8.230 nan 0.000 0.445 884 D N 0.623 121.107 120.400 0.139 0.000 2.162 884 D HA -0.117 4.522 4.640 -0.000 0.000 0.203 884 D C 2.001 178.461 176.300 0.267 0.000 0.967 884 D CA 1.539 55.651 54.000 0.186 0.000 0.840 884 D CB 0.214 41.137 40.800 0.205 0.000 0.972 884 D HN 0.596 nan 8.370 nan 0.000 0.482 885 T N 0.703 115.403 114.554 0.243 0.000 2.751 885 T HA -0.220 4.129 4.350 -0.000 0.000 0.268 885 T C 2.126 176.990 174.700 0.274 0.000 1.045 885 T CA 0.700 62.965 62.100 0.274 0.000 1.142 885 T CB -0.381 68.562 68.868 0.126 0.000 0.851 885 T HN 0.192 nan 8.240 nan 0.000 0.474 886 I N 1.148 121.842 120.570 0.207 0.000 2.617 886 I HA 0.198 4.368 4.170 -0.000 0.000 0.256 886 I C 1.399 177.655 176.117 0.231 0.000 1.167 886 I CA 0.340 61.757 61.300 0.195 0.000 1.469 886 I CB -0.298 37.808 38.000 0.177 0.000 1.098 886 I HN 0.368 nan 8.210 nan 0.000 0.436 887 G N -0.200 108.730 108.800 0.216 0.000 2.461 887 G HA2 0.517 4.477 3.960 -0.000 0.000 0.329 887 G HA3 0.517 4.477 3.960 -0.000 0.000 0.329 887 G C -0.275 174.749 174.900 0.208 0.000 1.170 887 G CA 0.128 45.350 45.100 0.204 0.000 0.935 887 G HN 0.558 nan 8.290 nan 0.000 0.492 888 G N -0.511 108.396 108.800 0.180 0.000 2.787 888 G HA2 0.244 4.203 3.960 -0.000 0.000 0.685 888 G HA3 0.244 4.203 3.960 -0.000 0.000 0.685 888 G C 0.343 175.317 174.900 0.123 0.000 1.437 888 G CA 0.083 45.264 45.100 0.135 0.000 0.872 888 G HN 2.070 nan 8.290 nan 0.000 0.566 889 S N 0.148 115.900 115.700 0.086 0.000 2.559 889 S HA 0.216 4.686 4.470 -0.000 0.000 0.282 889 S C 1.104 175.764 174.600 0.100 0.000 1.336 889 S CA 0.728 58.966 58.200 0.063 0.000 1.037 889 S CB 1.110 64.337 63.200 0.044 0.000 0.853 889 S HN 0.618 nan 8.310 nan 0.000 0.523 890 D N 1.950 122.387 120.400 0.062 0.000 2.149 890 D HA -0.112 4.528 4.640 -0.000 0.000 0.198 890 D C 2.271 178.663 176.300 0.154 0.000 0.990 890 D CA 1.661 55.711 54.000 0.084 0.000 0.839 890 D CB -0.885 39.922 40.800 0.012 0.000 0.948 890 D HN 0.726 nan 8.370 nan 0.000 0.460 891 A N 1.672 124.548 122.820 0.093 0.000 1.859 891 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 891 A C 2.425 180.067 177.584 0.097 0.000 1.209 891 A CA 3.098 55.181 52.037 0.077 0.000 0.639 891 A CB -1.060 17.965 19.000 0.040 0.000 0.835 891 A HN 0.278 nan 8.150 nan 0.000 0.450 892 A N -1.625 121.254 122.820 0.098 0.000 1.908 892 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 892 A C 2.100 179.766 177.584 0.136 0.000 1.181 892 A CA 1.764 53.849 52.037 0.080 0.000 0.627 892 A CB -0.816 18.226 19.000 0.071 0.000 0.818 892 A HN 0.797 nan 8.150 nan 0.000 0.445 893 F N 0.673 120.680 119.950 0.095 0.000 2.091 893 F HA -0.262 4.265 4.527 -0.000 0.000 0.299 893 F C 2.233 178.183 175.800 0.250 0.000 1.103 893 F CA 2.467 60.588 58.000 0.201 0.000 1.228 893 F CB -0.230 38.861 39.000 0.151 0.000 0.984 893 F HN 0.425 nan 8.300 nan 0.000 0.477 894 E N 0.078 120.517 120.200 0.398 0.000 2.110 894 E HA -0.235 4.114 4.350 -0.000 0.000 0.193 894 E C 2.198 178.819 176.600 0.036 0.000 0.988 894 E CA 1.281 57.856 56.400 0.291 0.000 0.804 894 E CB -0.089 29.733 29.700 0.204 0.000 0.745 894 E HN 0.424 nan 8.360 nan 0.000 0.458 895 K N 0.034 120.416 120.400 -0.031 0.000 2.097 895 K HA -0.170 4.150 4.320 -0.000 0.000 0.206 895 K C 2.368 178.869 176.600 -0.165 0.000 1.049 895 K CA 1.283 57.504 56.287 -0.110 0.000 0.933 895 K CB -0.092 32.355 32.500 -0.088 0.000 0.717 895 K HN 0.054 nan 8.250 nan 0.000 0.442 896 R N -0.299 120.047 120.500 -0.257 0.000 2.080 896 R HA -0.087 4.253 4.340 -0.000 0.000 0.222 896 R C 1.328 177.325 176.300 -0.506 0.000 1.107 896 R CA 1.322 57.132 56.100 -0.482 0.000 0.980 896 R CB 0.033 29.853 30.300 -0.800 0.000 0.879 896 R HN 0.218 nan 8.270 nan 0.000 0.439 897 Y N -0.594 119.583 120.300 -0.204 0.000 2.462 897 Y HA 0.265 4.815 4.550 -0.000 0.000 0.253 897 Y C 0.472 176.418 175.900 0.076 0.000 1.095 897 Y CA -0.624 57.389 58.100 -0.146 0.000 1.283 897 Y CB 0.495 38.690 38.460 -0.440 0.000 1.138 897 Y HN -0.114 nan 8.280 nan 0.000 0.522 898 R N 1.558 122.147 120.500 0.148 0.000 2.296 898 R HA 0.340 4.680 4.340 -0.000 0.000 0.323 898 R C -1.474 174.762 176.300 -0.106 0.000 1.067 898 R CA 0.117 56.120 56.100 -0.162 0.000 0.946 898 R CB 0.261 30.367 30.300 -0.322 0.000 0.991 898 R HN -0.117 nan 8.270 nan 0.000 0.448 899 V N 5.384 125.239 119.914 -0.098 0.000 2.407 899 V HA 0.270 4.390 4.120 -0.000 0.000 0.291 899 V C -0.848 175.202 176.094 -0.075 0.000 1.018 899 V CA -0.665 61.602 62.300 -0.056 0.000 0.842 899 V CB 1.578 33.385 31.823 -0.028 0.000 0.996 899 V HN 0.764 nan 8.190 nan 0.000 0.426 900 D N 4.820 125.194 120.400 -0.043 0.000 2.440 900 D HA 0.333 4.973 4.640 -0.000 0.000 0.252 900 D C 0.739 177.022 176.300 -0.028 0.000 1.180 900 D CA -0.402 53.573 54.000 -0.041 0.000 0.894 900 D CB 1.818 42.605 40.800 -0.021 0.000 1.111 900 D HN 0.357 nan 8.370 nan 0.000 0.544 901 L N 2.736 123.940 121.223 -0.032 0.000 2.093 901 L HA -0.053 4.287 4.340 -0.000 0.000 0.208 901 L C 1.841 178.690 176.870 -0.036 0.000 1.085 901 L CA 0.795 55.616 54.840 -0.032 0.000 0.755 901 L CB -0.139 41.903 42.059 -0.029 0.000 0.904 901 L HN 0.429 nan 8.230 nan 0.000 0.435 902 L N -0.136 121.066 121.223 -0.035 0.000 2.798 902 L HA 0.021 4.360 4.340 -0.000 0.000 0.254 902 L C 0.236 177.074 176.870 -0.053 0.000 1.176 902 L CA 0.355 55.172 54.840 -0.038 0.000 0.991 902 L CB -1.060 40.980 42.059 -0.031 0.000 1.225 902 L HN 0.273 nan 8.230 nan 0.000 0.420 903 N N -0.737 117.923 118.700 -0.066 0.000 2.594 903 N HA 0.055 4.795 4.740 -0.000 0.000 0.280 903 N C 1.136 176.572 175.510 -0.124 0.000 1.156 903 N CA -0.026 52.958 53.050 -0.111 0.000 0.831 903 N CB 1.026 39.424 38.487 -0.148 0.000 1.379 903 N HN 0.089 nan 8.380 nan 0.000 0.536 904 T N -0.100 114.389 114.554 -0.107 0.000 2.896 904 T HA -0.190 4.160 4.350 -0.000 0.000 0.270 904 T C 0.687 175.324 174.700 -0.105 0.000 1.104 904 T CA 1.327 63.374 62.100 -0.088 0.000 1.115 904 T CB -0.090 68.735 68.868 -0.072 0.000 0.843 904 T HN 0.438 nan 8.240 nan 0.000 0.523 905 D N 0.733 121.021 120.400 -0.186 0.000 2.355 905 D HA 0.028 4.667 4.640 -0.000 0.000 0.233 905 D C 1.367 177.614 176.300 -0.089 0.000 0.997 905 D CA 0.833 54.710 54.000 -0.205 0.000 0.920 905 D CB -0.355 40.225 40.800 -0.367 0.000 1.063 905 D HN 0.483 nan 8.370 nan 0.000 0.465 906 H N 0.428 119.470 119.070 -0.048 0.000 2.708 906 H HA 0.299 4.855 4.556 -0.000 0.000 0.309 906 H C 0.025 175.313 175.328 -0.066 0.000 1.084 906 H CA 0.131 56.143 56.048 -0.060 0.000 1.165 906 H CB -1.111 28.608 29.762 -0.072 0.000 1.388 906 H HN -0.041 nan 8.280 nan 0.000 0.553 907 T N 0.679 115.244 114.554 0.019 0.000 2.902 907 T HA 0.369 4.719 4.350 -0.000 0.000 0.280 907 T C 0.926 175.616 174.700 -0.017 0.000 0.992 907 T CA -0.844 61.249 62.100 -0.011 0.000 1.015 907 T CB 1.538 70.388 68.868 -0.030 0.000 1.044 907 T HN 0.110 nan 8.240 nan 0.000 0.520 908 L N 2.288 123.493 121.223 -0.030 0.000 2.410 908 L HA 0.187 4.527 4.340 -0.000 0.000 0.273 908 L C 1.000 177.849 176.870 -0.036 0.000 1.144 908 L CA -0.408 54.408 54.840 -0.040 0.000 0.863 908 L CB 0.180 42.209 42.059 -0.050 0.000 1.140 908 L HN 0.652 nan 8.230 nan 0.000 0.463 909 D N 6.456 126.835 120.400 -0.035 0.000 2.390 909 D HA 0.040 4.680 4.640 -0.000 0.000 0.249 909 D C -1.561 174.719 176.300 -0.033 0.000 1.144 909 D CA -1.373 52.608 54.000 -0.031 0.000 0.880 909 D CB 1.655 42.439 40.800 -0.027 0.000 1.182 909 D HN 0.321 nan 8.370 nan 0.000 0.451 910 P HA -0.134 nan 4.420 nan 0.000 0.234 910 P C 1.007 178.291 177.300 -0.026 0.000 1.162 910 P CA 0.628 63.711 63.100 -0.028 0.000 0.759 910 P CB 0.104 31.789 31.700 -0.024 0.000 0.813 911 S N -0.867 114.817 115.700 -0.026 0.000 2.404 911 S HA 0.014 4.484 4.470 -0.000 0.000 0.223 911 S C 2.030 176.612 174.600 -0.031 0.000 1.040 911 S CA 0.114 58.300 58.200 -0.023 0.000 0.957 911 S CB -1.284 61.905 63.200 -0.018 0.000 0.826 911 S HN 0.062 nan 8.310 nan 0.000 0.491 912 L N 0.252 121.451 121.223 -0.040 0.000 2.046 912 L HA 0.107 4.447 4.340 -0.000 0.000 0.208 912 L C 0.909 177.744 176.870 -0.057 0.000 1.077 912 L CA 0.760 55.568 54.840 -0.054 0.000 0.747 912 L CB -0.507 41.513 42.059 -0.066 0.000 0.896 912 L HN 0.321 nan 8.230 nan 0.000 0.432 913 L N -0.460 120.732 121.223 -0.052 0.000 2.331 913 L HA 0.203 4.543 4.340 -0.000 0.000 0.275 913 L C 0.943 177.789 176.870 -0.041 0.000 1.022 913 L CA 0.184 54.991 54.840 -0.054 0.000 0.812 913 L CB 1.380 43.404 42.059 -0.058 0.000 1.257 913 L HN -0.002 nan 8.230 nan 0.000 0.435 914 E N 0.803 120.979 120.200 -0.039 0.000 1.999 914 E HA -0.135 4.214 4.350 -0.000 0.000 0.194 914 E C 0.922 177.505 176.600 -0.027 0.000 0.995 914 E CA 1.282 57.665 56.400 -0.029 0.000 0.825 914 E CB 0.055 29.740 29.700 -0.025 0.000 0.777 914 E HN 0.753 nan 8.360 nan 0.000 0.459 915 S N 0.015 115.697 115.700 -0.029 0.000 3.237 915 S HA 0.034 4.504 4.470 -0.000 0.000 0.255 915 S C 1.192 175.774 174.600 -0.031 0.000 1.127 915 S CA 0.211 58.394 58.200 -0.027 0.000 1.254 915 S CB -0.313 62.870 63.200 -0.028 0.000 1.022 915 S HN 0.393 nan 8.310 nan 0.000 0.477 916 G N 1.730 110.512 108.800 -0.031 0.000 2.430 916 G HA2 -0.100 3.859 3.960 -0.000 0.000 0.216 916 G HA3 -0.100 3.859 3.960 -0.000 0.000 0.216 916 G C 1.615 176.498 174.900 -0.029 0.000 1.146 916 G CA 0.612 45.692 45.100 -0.033 0.000 0.793 916 G HN 0.780 nan 8.290 nan 0.000 0.537 917 S N 1.452 117.136 115.700 -0.025 0.000 2.371 917 S HA -0.061 4.409 4.470 -0.000 0.000 0.221 917 S C 1.924 176.511 174.600 -0.023 0.000 1.036 917 S CA 1.124 59.310 58.200 -0.023 0.000 0.965 917 S CB -0.455 62.733 63.200 -0.020 0.000 0.845 917 S HN 0.643 nan 8.310 nan 0.000 0.475 918 E N 0.799 120.986 120.200 -0.021 0.000 2.533 918 E HA 0.058 4.408 4.350 -0.000 0.000 0.201 918 E C 1.508 178.096 176.600 -0.022 0.000 1.097 918 E CA 0.342 56.730 56.400 -0.020 0.000 0.887 918 E CB -0.462 29.228 29.700 -0.017 0.000 0.855 918 E HN 0.580 nan 8.360 nan 0.000 0.540 919 I N 0.679 121.234 120.570 -0.025 0.000 2.867 919 I HA 0.009 4.179 4.170 -0.000 0.000 0.265 919 I C 1.095 177.197 176.117 -0.026 0.000 1.162 919 I CA -0.085 61.199 61.300 -0.027 0.000 1.471 919 I CB 0.476 38.457 38.000 -0.031 0.000 1.123 919 I HN 0.189 nan 8.210 nan 0.000 0.440 920 L N 2.498 123.705 121.223 -0.027 0.000 2.660 920 L HA 0.026 4.365 4.340 -0.000 0.000 0.272 920 L C 0.548 177.402 176.870 -0.026 0.000 1.194 920 L CA 0.704 55.527 54.840 -0.028 0.000 0.945 920 L CB -0.523 41.519 42.059 -0.028 0.000 1.212 920 L HN 0.529 nan 8.230 nan 0.000 0.490 921 G N 3.957 112.741 108.800 -0.027 0.000 2.415 921 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.283 921 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.283 921 G C -0.184 174.704 174.900 -0.021 0.000 1.014 921 G CA 0.220 45.306 45.100 -0.024 0.000 1.323 921 G HN 0.850 nan 8.290 nan 0.000 0.502 922 D N 1.419 121.807 120.400 -0.020 0.000 2.412 922 D HA 0.303 4.943 4.640 -0.000 0.000 0.276 922 D C 1.994 178.285 176.300 -0.015 0.000 1.196 922 D CA -0.590 53.400 54.000 -0.017 0.000 0.905 922 D CB 0.266 41.056 40.800 -0.018 0.000 1.081 922 D HN 0.256 nan 8.370 nan 0.000 0.502 923 L N 2.180 123.395 121.223 -0.013 0.000 1.987 923 L HA -0.325 4.015 4.340 -0.000 0.000 0.230 923 L C 2.532 179.397 176.870 -0.009 0.000 1.089 923 L CA 1.618 56.451 54.840 -0.011 0.000 0.802 923 L CB -0.590 41.464 42.059 -0.009 0.000 0.905 923 L HN 0.281 nan 8.230 nan 0.000 0.441 924 K N -0.211 120.185 120.400 -0.008 0.000 2.077 924 K HA -0.244 4.076 4.320 -0.000 0.000 0.213 924 K C 2.091 178.688 176.600 -0.005 0.000 1.051 924 K CA 1.719 58.002 56.287 -0.006 0.000 0.929 924 K CB -0.402 32.094 32.500 -0.006 0.000 0.715 924 K HN 0.285 nan 8.250 nan 0.000 0.451 925 L N 0.662 121.880 121.223 -0.009 0.000 1.976 925 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 925 L C 2.501 179.366 176.870 -0.007 0.000 1.071 925 L CA 1.205 56.039 54.840 -0.010 0.000 0.746 925 L CB -0.529 41.521 42.059 -0.015 0.000 0.890 925 L HN 0.305 nan 8.230 nan 0.000 0.432 926 Q N -0.142 119.652 119.800 -0.011 0.000 2.585 926 Q HA -0.149 4.191 4.340 -0.000 0.000 0.219 926 Q C 1.884 177.882 176.000 -0.002 0.000 0.984 926 Q CA 0.911 56.707 55.803 -0.011 0.000 0.915 926 Q CB -0.041 28.687 28.738 -0.016 0.000 0.967 926 Q HN 0.410 nan 8.270 nan 0.000 0.530 927 V N -0.479 119.435 119.914 0.001 0.000 2.825 927 V HA -0.117 4.002 4.120 -0.000 0.000 0.246 927 V C 2.171 178.273 176.094 0.014 0.000 1.068 927 V CA 0.530 62.835 62.300 0.008 0.000 1.088 927 V CB -0.159 31.666 31.823 0.004 0.000 0.733 927 V HN 0.267 nan 8.190 nan 0.000 0.468 928 L N -0.452 120.778 121.223 0.011 0.000 2.005 928 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 928 L C 2.309 179.195 176.870 0.027 0.000 1.072 928 L CA 1.681 56.530 54.840 0.015 0.000 0.744 928 L CB -0.416 41.648 42.059 0.008 0.000 0.895 928 L HN 0.300 nan 8.230 nan 0.000 0.433 929 L N -0.603 120.633 121.223 0.022 0.000 2.362 929 L HA -0.179 4.161 4.340 -0.000 0.000 0.219 929 L C 1.850 178.757 176.870 0.061 0.000 1.134 929 L CA 0.546 55.407 54.840 0.034 0.000 0.807 929 L CB -0.413 41.651 42.059 0.008 0.000 0.927 929 L HN 0.258 nan 8.230 nan 0.000 0.447 930 D N -0.109 120.321 120.400 0.050 0.000 2.162 930 D HA -0.120 4.520 4.640 -0.000 0.000 0.205 930 D C 2.049 178.414 176.300 0.108 0.000 0.964 930 D CA 0.741 54.787 54.000 0.077 0.000 0.847 930 D CB 0.117 40.943 40.800 0.044 0.000 0.988 930 D HN 0.252 nan 8.370 nan 0.000 0.480 931 E N 0.734 120.974 120.200 0.068 0.000 2.086 931 E HA -0.267 4.082 4.350 -0.000 0.000 0.200 931 E C 1.938 178.578 176.600 0.068 0.000 1.012 931 E CA 1.383 57.816 56.400 0.055 0.000 0.812 931 E CB -0.083 29.637 29.700 0.032 0.000 0.743 931 E HN 0.432 nan 8.360 nan 0.000 0.453 932 E N 0.029 120.277 120.200 0.080 0.000 2.070 932 E HA -0.273 4.077 4.350 -0.000 0.000 0.197 932 E C 1.989 178.654 176.600 0.108 0.000 1.004 932 E CA 1.371 57.820 56.400 0.080 0.000 0.805 932 E CB -0.267 29.487 29.700 0.089 0.000 0.744 932 E HN 0.393 nan 8.360 nan 0.000 0.451 933 Y N 0.811 121.127 120.300 0.027 0.000 2.365 933 Y HA 0.091 4.641 4.550 -0.000 0.000 0.293 933 Y C 1.870 177.816 175.900 0.076 0.000 1.119 933 Y CA 1.179 59.312 58.100 0.055 0.000 1.203 933 Y CB 0.269 38.770 38.460 0.068 0.000 1.026 933 Y HN -0.098 nan 8.280 nan 0.000 0.549 934 K N -0.234 120.260 120.400 0.157 0.000 2.148 934 K HA -0.206 4.113 4.320 -0.000 0.000 0.204 934 K C 1.990 178.574 176.600 -0.026 0.000 1.050 934 K CA 1.288 57.611 56.287 0.060 0.000 0.942 934 K CB -0.063 32.484 32.500 0.078 0.000 0.724 934 K HN 0.265 nan 8.250 nan 0.000 0.446 935 Q N 1.561 121.352 119.800 -0.016 0.000 2.046 935 Q HA -0.063 4.277 4.340 -0.000 0.000 0.200 935 Q C 1.850 177.805 176.000 -0.075 0.000 0.975 935 Q CA 1.416 57.193 55.803 -0.043 0.000 0.836 935 Q CB -0.326 28.397 28.738 -0.025 0.000 0.896 935 Q HN 0.261 nan 8.270 nan 0.000 0.428 936 L N -0.544 120.618 121.223 -0.102 0.000 2.187 936 L HA -0.162 4.178 4.340 -0.000 0.000 0.213 936 L C 2.233 179.070 176.870 -0.055 0.000 1.100 936 L CA 0.724 55.487 54.840 -0.128 0.000 0.765 936 L CB -0.315 41.571 42.059 -0.290 0.000 0.904 936 L HN 0.132 nan 8.230 nan 0.000 0.437 937 V N -0.490 119.321 119.914 -0.172 0.000 2.346 937 V HA -0.238 3.882 4.120 -0.000 0.000 0.244 937 V C 2.427 178.401 176.094 -0.200 0.000 1.037 937 V CA 1.527 63.647 62.300 -0.299 0.000 1.029 937 V CB -0.304 31.344 31.823 -0.291 0.000 0.663 937 V HN 0.369 nan 8.190 nan 0.000 0.454 938 K N -0.147 120.184 120.400 -0.114 0.000 2.044 938 K HA -0.257 4.062 4.320 -0.000 0.000 0.210 938 K C 1.919 178.502 176.600 -0.027 0.000 1.049 938 K CA 2.124 58.372 56.287 -0.066 0.000 0.927 938 K CB -0.384 32.081 32.500 -0.059 0.000 0.713 938 K HN 0.423 nan 8.250 nan 0.000 0.443 939 D N 0.001 120.380 120.400 -0.035 0.000 2.137 939 D HA -0.219 4.420 4.640 -0.000 0.000 0.189 939 D C 1.865 178.196 176.300 0.052 0.000 0.998 939 D CA 1.305 55.322 54.000 0.028 0.000 0.839 939 D CB -0.266 40.529 40.800 -0.009 0.000 0.962 939 D HN 0.190 nan 8.370 nan 0.000 0.446 940 R N 0.785 121.258 120.500 -0.046 0.000 2.117 940 R HA -0.178 4.161 4.340 -0.000 0.000 0.243 940 R C 1.845 178.104 176.300 -0.067 0.000 1.143 940 R CA 1.377 57.429 56.100 -0.079 0.000 0.968 940 R CB 0.093 30.184 30.300 -0.349 0.000 0.863 940 R HN 0.063 nan 8.270 nan 0.000 0.444 941 K N 0.189 120.536 120.400 -0.088 0.000 2.001 941 K HA -0.156 4.164 4.320 -0.000 0.000 0.208 941 K C 1.960 178.555 176.600 -0.009 0.000 1.048 941 K CA 1.310 57.559 56.287 -0.063 0.000 0.932 941 K CB -0.745 31.713 32.500 -0.070 0.000 0.715 941 K HN 0.173 nan 8.250 nan 0.000 0.437 942 F N 2.661 122.553 119.950 -0.098 0.000 2.063 942 F HA -0.255 4.271 4.527 -0.000 0.000 0.298 942 F C 2.064 177.798 175.800 -0.110 0.000 1.109 942 F CA 1.528 59.467 58.000 -0.103 0.000 1.212 942 F CB -0.542 38.400 39.000 -0.097 0.000 0.973 942 F HN -0.092 nan 8.300 nan 0.000 0.480 943 L N -0.161 120.988 121.223 -0.124 0.000 2.079 943 L HA -0.223 4.116 4.340 -0.000 0.000 0.210 943 L C 2.589 179.370 176.870 -0.148 0.000 1.081 943 L CA 1.597 56.343 54.840 -0.156 0.000 0.752 943 L CB -0.700 41.438 42.059 0.132 0.000 0.896 943 L HN 0.098 nan 8.230 nan 0.000 0.433 944 R N -0.214 120.250 120.500 -0.059 0.000 2.235 944 R HA -0.109 4.230 4.340 -0.000 0.000 0.213 944 R C 1.997 178.238 176.300 -0.099 0.000 1.059 944 R CA 0.665 56.776 56.100 0.018 0.000 0.997 944 R CB -0.045 30.295 30.300 0.067 0.000 0.884 944 R HN 0.469 nan 8.270 nan 0.000 0.462 945 E N -0.208 119.841 120.200 -0.251 0.000 2.112 945 E HA -0.091 4.259 4.350 -0.000 0.000 0.190 945 E C 1.773 178.113 176.600 -0.434 0.000 0.979 945 E CA 0.828 57.049 56.400 -0.298 0.000 0.814 945 E CB 0.323 29.840 29.700 -0.305 0.000 0.762 945 E HN 0.074 nan 8.360 nan 0.000 0.460 946 V N 0.480 119.969 119.914 -0.708 0.000 2.249 946 V HA -0.133 3.987 4.120 -0.000 0.000 0.239 946 V C 0.879 176.467 176.094 -0.843 0.000 1.038 946 V CA 1.235 62.949 62.300 -0.978 0.000 1.005 946 V CB -0.266 30.614 31.823 -1.570 0.000 0.646 946 V HN 0.149 nan 8.190 nan 0.000 0.455 947 F N 0.363 120.136 119.950 -0.295 0.000 2.640 947 F HA 0.276 4.803 4.527 -0.000 0.000 0.354 947 F C 1.349 177.102 175.800 -0.077 0.000 1.213 947 F CA -0.329 57.577 58.000 -0.155 0.000 1.314 947 F CB -0.523 38.447 39.000 -0.050 0.000 1.679 947 F HN -0.155 nan 8.300 nan 0.000 0.622 948 V N 0.393 120.305 119.914 -0.003 0.000 2.317 948 V HA -0.390 3.730 4.120 -0.000 0.000 0.251 948 V C 2.412 178.576 176.094 0.116 0.000 1.065 948 V CA 2.308 64.632 62.300 0.039 0.000 1.049 948 V CB -0.366 31.440 31.823 -0.028 0.000 0.651 948 V HN 0.612 nan 8.190 nan 0.000 0.450 949 D N 0.224 120.664 120.400 0.067 0.000 2.170 949 D HA -0.181 4.459 4.640 -0.000 0.000 0.193 949 D C 1.775 177.912 176.300 -0.271 0.000 1.004 949 D CA 2.097 56.098 54.000 0.001 0.000 0.860 949 D CB -0.411 40.422 40.800 0.056 0.000 0.931 949 D HN 0.644 nan 8.370 nan 0.000 0.448 950 G N -0.187 108.342 108.800 -0.452 0.000 2.176 950 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.232 950 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.232 950 G C 0.097 174.693 174.900 -0.507 0.000 0.986 950 G CA 0.479 44.831 45.100 -1.247 0.000 0.643 950 G HN 0.514 nan 8.290 nan 0.000 0.522 951 E N 1.141 121.235 120.200 -0.177 0.000 2.406 951 E HA 0.590 4.940 4.350 -0.000 0.000 0.258 951 E C 1.416 177.944 176.600 -0.120 0.000 1.043 951 E CA 0.885 57.192 56.400 -0.156 0.000 0.929 951 E CB 0.550 30.152 29.700 -0.162 0.000 0.969 951 E HN 0.710 nan 8.360 nan 0.000 0.462 952 A N 5.269 127.977 122.820 -0.187 0.000 2.016 952 A HA -0.007 4.313 4.320 -0.000 0.000 0.217 952 A C 0.434 177.929 177.584 -0.149 0.000 1.162 952 A CA 0.416 52.395 52.037 -0.098 0.000 0.662 952 A CB 0.024 18.984 19.000 -0.067 0.000 0.812 952 A HN 0.571 nan 8.150 nan 0.000 0.450 953 N N -0.538 117.912 118.700 -0.417 0.000 2.511 953 N HA 0.366 5.106 4.740 -0.000 0.000 0.249 953 N C -1.984 173.089 175.510 -0.728 0.000 0.971 953 N CA 0.027 52.827 53.050 -0.417 0.000 0.938 953 N CB 0.805 39.094 38.487 -0.330 0.000 1.131 953 N HN 0.431 nan 8.380 nan 0.000 0.505 954 W N 2.542 123.710 121.300 -0.220 0.000 2.715 954 W HA 0.327 4.987 4.660 -0.000 0.000 0.331 954 W C -2.113 174.362 176.519 -0.075 0.000 1.031 954 W CA -1.878 55.339 57.345 -0.213 0.000 1.237 954 W CB 1.683 30.912 29.460 -0.385 0.000 1.378 954 W HN 0.308 nan 8.180 nan 0.000 0.454 955 P HA -0.090 nan 4.420 nan 0.000 0.249 955 P C -0.625 176.819 177.300 0.240 0.000 1.140 955 P CA 1.193 64.424 63.100 0.218 0.000 0.803 955 P CB 0.226 32.101 31.700 0.292 0.000 0.745 956 L N 5.986 127.338 121.223 0.215 0.000 2.376 956 L HA 0.599 4.939 4.340 -0.000 0.000 0.258 956 L C -2.209 174.812 176.870 0.251 0.000 1.013 956 L CA -2.560 52.433 54.840 0.256 0.000 0.822 956 L CB 3.030 45.257 42.059 0.279 0.000 1.388 956 L HN 0.114 nan 8.230 nan 0.000 0.413 957 P HA 0.187 nan 4.420 nan 0.000 0.277 957 P C -0.829 176.645 177.300 0.291 0.000 1.271 957 P CA -0.178 63.019 63.100 0.162 0.000 0.795 957 P CB 0.934 32.586 31.700 -0.080 0.000 1.101 958 V N -1.129 118.901 119.914 0.192 0.000 4.156 958 V HA -0.227 3.893 4.120 -0.000 0.000 0.472 958 V C 0.738 176.985 176.094 0.254 0.000 0.683 958 V CA 0.256 62.707 62.300 0.251 0.000 1.888 958 V CB -2.032 30.023 31.823 0.386 0.000 2.269 958 V HN 0.816 nan 8.190 nan 0.000 0.499 959 N N 4.235 123.011 118.700 0.128 0.000 2.400 959 N HA 0.182 4.922 4.740 -0.000 0.000 0.278 959 N C 0.975 176.527 175.510 0.071 0.000 1.247 959 N CA 0.159 53.254 53.050 0.074 0.000 0.970 959 N CB 0.619 39.108 38.487 0.004 0.000 1.312 959 N HN 0.741 nan 8.380 nan 0.000 0.488 960 I N 2.924 123.535 120.570 0.069 0.000 2.353 960 I HA -0.195 3.975 4.170 -0.000 0.000 0.248 960 I C 2.503 178.608 176.117 -0.020 0.000 1.119 960 I CA 0.570 61.886 61.300 0.028 0.000 1.417 960 I CB -0.101 37.898 38.000 -0.002 0.000 1.078 960 I HN 0.506 nan 8.210 nan 0.000 0.421 961 R N 0.989 121.485 120.500 -0.008 0.000 2.103 961 R HA -0.219 4.120 4.340 -0.000 0.000 0.242 961 R C 2.459 178.751 176.300 -0.013 0.000 1.142 961 R CA 1.720 57.806 56.100 -0.022 0.000 0.960 961 R CB -0.159 30.154 30.300 0.021 0.000 0.858 961 R HN 0.217 nan 8.270 nan 0.000 0.439 962 R N 0.158 120.670 120.500 0.019 0.000 2.061 962 R HA -0.056 4.284 4.340 -0.000 0.000 0.230 962 R C 2.382 178.738 176.300 0.093 0.000 1.140 962 R CA 1.897 58.030 56.100 0.056 0.000 0.940 962 R CB -0.355 29.975 30.300 0.050 0.000 0.839 962 R HN 0.263 nan 8.270 nan 0.000 0.429 963 I N 0.791 121.408 120.570 0.078 0.000 2.143 963 I HA -0.386 3.783 4.170 -0.000 0.000 0.245 963 I C 2.336 178.578 176.117 0.208 0.000 1.068 963 I CA 1.651 63.023 61.300 0.121 0.000 1.326 963 I CB -0.497 37.500 38.000 -0.005 0.000 1.028 963 I HN 0.257 nan 8.210 nan 0.000 0.412 964 I N 0.344 120.936 120.570 0.037 0.000 2.179 964 I HA -0.328 3.842 4.170 -0.000 0.000 0.242 964 I C 2.702 178.831 176.117 0.021 0.000 1.088 964 I CA 1.588 62.859 61.300 -0.048 0.000 1.357 964 I CB -0.343 37.412 38.000 -0.408 0.000 1.051 964 I HN 0.281 nan 8.210 nan 0.000 0.409 965 Q N 0.266 120.073 119.800 0.012 0.000 2.234 965 Q HA -0.192 4.147 4.340 -0.000 0.000 0.206 965 Q C 1.860 177.844 176.000 -0.026 0.000 0.980 965 Q CA 1.227 57.026 55.803 -0.008 0.000 0.869 965 Q CB -0.184 28.560 28.738 0.010 0.000 0.912 965 Q HN 0.571 nan 8.270 nan 0.000 0.436 966 N N 0.347 119.145 118.700 0.164 0.000 2.207 966 N HA -0.062 4.677 4.740 -0.000 0.000 0.182 966 N C 1.736 177.284 175.510 0.063 0.000 1.020 966 N CA 1.076 54.269 53.050 0.239 0.000 0.858 966 N CB -0.218 38.557 38.487 0.479 0.000 0.991 966 N HN 0.183 nan 8.380 nan 0.000 0.427 967 A N 1.757 124.707 122.820 0.216 0.000 1.859 967 A HA -0.220 4.099 4.320 -0.000 0.000 0.217 967 A C 2.077 179.717 177.584 0.094 0.000 1.198 967 A CA 1.572 53.667 52.037 0.097 0.000 0.629 967 A CB -0.978 18.192 19.000 0.284 0.000 0.830 967 A HN 0.322 nan 8.150 nan 0.000 0.446 968 Q N -1.405 118.428 119.800 0.054 0.000 2.443 968 Q HA -0.228 4.111 4.340 -0.000 0.000 0.213 968 Q C 2.010 177.987 176.000 -0.039 0.000 0.982 968 Q CA 1.644 57.475 55.803 0.047 0.000 0.894 968 Q CB -0.038 28.749 28.738 0.083 0.000 0.947 968 Q HN 0.891 nan 8.270 nan 0.000 0.480 969 Q N -1.564 118.147 119.800 -0.147 0.000 2.471 969 Q HA 0.026 4.366 4.340 -0.000 0.000 0.241 969 Q C 1.474 177.216 176.000 -0.431 0.000 0.886 969 Q CA 1.045 56.695 55.803 -0.255 0.000 0.953 969 Q CB 0.115 28.658 28.738 -0.325 0.000 1.108 969 Q HN 0.056 nan 8.270 nan 0.000 0.575 970 T N 0.050 114.364 114.554 -0.401 0.000 3.007 970 T HA 0.052 4.402 4.350 -0.000 0.000 0.270 970 T C 0.192 174.316 174.700 -0.961 0.000 1.107 970 T CA 1.017 62.703 62.100 -0.691 0.000 1.118 970 T CB -0.129 68.181 68.868 -0.931 0.000 0.889 970 T HN 0.273 nan 8.240 nan 0.000 0.506 971 F N -0.539 119.146 119.950 -0.443 0.000 2.746 971 F HA 0.296 4.822 4.527 -0.000 0.000 0.320 971 F C 0.654 176.396 175.800 -0.097 0.000 1.097 971 F CA -0.687 57.167 58.000 -0.243 0.000 1.195 971 F CB 0.143 39.036 39.000 -0.179 0.000 1.056 971 F HN 0.136 nan 8.300 nan 0.000 0.562 972 H N -0.082 119.029 119.070 0.068 0.000 2.791 972 H HA -0.171 4.385 4.556 -0.000 0.000 0.302 972 H C 0.478 175.859 175.328 0.088 0.000 1.198 972 H CA 0.410 56.489 56.048 0.053 0.000 1.145 972 H CB -2.030 27.745 29.762 0.021 0.000 1.385 972 H HN 0.239 nan 8.280 nan 0.000 0.409 973 I N 3.275 123.946 120.570 0.169 0.000 2.821 973 I HA -0.136 4.034 4.170 -0.000 0.000 0.294 973 I C 1.128 177.356 176.117 0.184 0.000 1.210 973 I CA 0.918 62.304 61.300 0.143 0.000 1.430 973 I CB 0.310 38.369 38.000 0.098 0.000 1.356 973 I HN 0.181 nan 8.210 nan 0.000 0.563 974 D N 6.346 126.834 120.400 0.147 0.000 2.232 974 D HA 0.066 4.706 4.640 -0.000 0.000 0.242 974 D C 0.262 176.662 176.300 0.167 0.000 1.093 974 D CA -0.491 53.609 54.000 0.168 0.000 0.845 974 D CB 0.717 41.582 40.800 0.107 0.000 1.124 974 D HN 0.585 nan 8.370 nan 0.000 0.467 975 H N 1.386 120.478 119.070 0.036 0.000 2.832 975 H HA 0.013 4.569 4.556 -0.000 0.000 0.297 975 H C 0.746 176.085 175.328 0.018 0.000 1.103 975 H CA 0.354 56.419 56.048 0.028 0.000 1.201 975 H CB 0.058 29.839 29.762 0.030 0.000 1.291 975 H HN 0.586 nan 8.280 nan 0.000 0.614 976 T N -3.063 111.551 114.554 0.101 0.000 3.125 976 T HA 0.102 4.452 4.350 -0.000 0.000 0.252 976 T C 0.859 175.577 174.700 0.029 0.000 0.981 976 T CA -0.313 61.822 62.100 0.059 0.000 1.069 976 T CB 0.880 69.780 68.868 0.053 0.000 1.091 976 T HN 0.023 nan 8.240 nan 0.000 0.460 977 K N 3.065 123.480 120.400 0.025 0.000 2.174 977 K HA 0.423 4.743 4.320 -0.000 0.000 0.275 977 K C -2.630 173.966 176.600 -0.006 0.000 1.015 977 K CA -2.234 54.059 56.287 0.010 0.000 0.933 977 K CB 0.661 33.169 32.500 0.014 0.000 1.025 977 K HN 0.224 nan 8.250 nan 0.000 0.463 978 P HA -0.066 nan 4.420 nan 0.000 0.268 978 P C -0.335 176.947 177.300 -0.031 0.000 1.205 978 P CA -0.048 63.036 63.100 -0.027 0.000 0.771 978 P CB 0.918 32.604 31.700 -0.025 0.000 0.858 979 S N 1.493 117.164 115.700 -0.047 0.000 2.585 979 S HA 0.043 4.513 4.470 -0.000 0.000 0.273 979 S C 0.988 175.559 174.600 -0.048 0.000 1.339 979 S CA -0.481 57.689 58.200 -0.051 0.000 1.028 979 S CB -0.004 63.152 63.200 -0.074 0.000 0.906 979 S HN 0.549 nan 8.310 nan 0.000 0.528 980 D N 3.666 124.042 120.400 -0.041 0.000 2.370 980 D HA 0.074 4.713 4.640 -0.000 0.000 0.230 980 D C 0.327 176.598 176.300 -0.049 0.000 1.143 980 D CA -0.149 53.830 54.000 -0.035 0.000 0.834 980 D CB -0.269 40.521 40.800 -0.016 0.000 0.944 980 D HN 0.369 nan 8.370 nan 0.000 0.504 981 L N 0.892 122.065 121.223 -0.083 0.000 2.417 981 L HA 0.171 4.511 4.340 -0.000 0.000 0.268 981 L C 0.672 177.476 176.870 -0.109 0.000 1.158 981 L CA -0.044 54.720 54.840 -0.126 0.000 0.819 981 L CB 1.232 43.153 42.059 -0.230 0.000 1.112 981 L HN -0.124 nan 8.230 nan 0.000 0.458 982 T N 2.483 116.975 114.554 -0.104 0.000 2.922 982 T HA 0.281 4.630 4.350 -0.000 0.000 0.285 982 T C 1.522 176.153 174.700 -0.114 0.000 1.005 982 T CA -0.520 61.531 62.100 -0.083 0.000 1.061 982 T CB 1.482 70.319 68.868 -0.052 0.000 1.007 982 T HN 0.389 nan 8.240 nan 0.000 0.502 983 I N 1.206 121.723 120.570 -0.088 0.000 2.163 983 I HA -0.204 3.966 4.170 -0.000 0.000 0.243 983 I C 2.687 178.763 176.117 -0.067 0.000 1.085 983 I CA 1.438 62.687 61.300 -0.084 0.000 1.347 983 I CB -0.229 37.738 38.000 -0.055 0.000 1.044 983 I HN 0.678 nan 8.210 nan 0.000 0.408 984 K N 0.366 120.740 120.400 -0.043 0.000 2.160 984 K HA -0.247 4.073 4.320 -0.000 0.000 0.206 984 K C 1.682 178.273 176.600 -0.015 0.000 1.047 984 K CA 1.664 57.939 56.287 -0.021 0.000 0.930 984 K CB -0.260 32.233 32.500 -0.011 0.000 0.720 984 K HN 0.354 nan 8.250 nan 0.000 0.450 985 D N 0.706 121.079 120.400 -0.044 0.000 2.092 985 D HA -0.141 4.499 4.640 -0.000 0.000 0.193 985 D C 1.937 178.219 176.300 -0.030 0.000 0.994 985 D CA 1.161 55.142 54.000 -0.032 0.000 0.828 985 D CB -0.205 40.531 40.800 -0.107 0.000 0.963 985 D HN 0.155 nan 8.370 nan 0.000 0.450 986 I N 0.283 120.713 120.570 -0.233 0.000 2.087 986 I HA -0.235 3.935 4.170 -0.000 0.000 0.231 986 I C 2.605 178.756 176.117 0.056 0.000 1.058 986 I CA 0.524 61.681 61.300 -0.239 0.000 1.328 986 I CB -0.662 37.128 38.000 -0.349 0.000 1.079 986 I HN -0.157 nan 8.210 nan 0.000 0.397 987 V N 0.960 120.879 119.914 0.008 0.000 2.277 987 V HA -0.335 3.784 4.120 -0.000 0.000 0.255 987 V C 2.396 178.523 176.094 0.055 0.000 1.074 987 V CA 2.197 64.520 62.300 0.038 0.000 1.058 987 V CB -0.553 31.279 31.823 0.015 0.000 0.656 987 V HN 0.345 nan 8.190 nan 0.000 0.449 988 L N -0.559 120.694 121.223 0.050 0.000 2.127 988 L HA 0.072 4.411 4.340 -0.000 0.000 0.203 988 L C 2.592 179.512 176.870 0.083 0.000 1.080 988 L CA 1.477 56.349 54.840 0.053 0.000 0.768 988 L CB -0.986 41.096 42.059 0.038 0.000 0.924 988 L HN 0.418 nan 8.230 nan 0.000 0.444 989 G N -0.275 108.611 108.800 0.143 0.000 2.491 989 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 989 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 989 G C 1.513 176.497 174.900 0.140 0.000 1.180 989 G CA 1.341 46.559 45.100 0.197 0.000 0.774 989 G HN 0.224 nan 8.290 nan 0.000 0.562 990 V N 0.503 120.527 119.914 0.184 0.000 2.453 990 V HA -0.080 4.040 4.120 -0.000 0.000 0.247 990 V C 2.636 178.760 176.094 0.050 0.000 1.048 990 V CA 1.961 64.328 62.300 0.111 0.000 1.049 990 V CB -0.430 31.481 31.823 0.147 0.000 0.672 990 V HN 0.308 nan 8.190 nan 0.000 0.457 991 K N 0.171 120.601 120.400 0.051 0.000 2.103 991 K HA -0.279 4.041 4.320 -0.000 0.000 0.207 991 K C 1.922 178.527 176.600 0.007 0.000 1.048 991 K CA 2.114 58.413 56.287 0.021 0.000 0.930 991 K CB -0.205 32.308 32.500 0.023 0.000 0.716 991 K HN 0.613 nan 8.250 nan 0.000 0.444 992 D N 0.131 120.541 120.400 0.016 0.000 2.234 992 D HA -0.135 4.505 4.640 -0.000 0.000 0.205 992 D C 1.842 178.132 176.300 -0.017 0.000 0.962 992 D CA 0.367 54.369 54.000 0.003 0.000 0.855 992 D CB 0.147 40.957 40.800 0.017 0.000 0.951 992 D HN 0.095 nan 8.370 nan 0.000 0.500 993 L N 0.439 121.651 121.223 -0.018 0.000 2.072 993 L HA -0.043 4.297 4.340 -0.000 0.000 0.205 993 L C 2.075 178.905 176.870 -0.066 0.000 1.079 993 L CA 1.651 56.463 54.840 -0.046 0.000 0.752 993 L CB -0.844 41.185 42.059 -0.050 0.000 0.906 993 L HN 0.040 nan 8.230 nan 0.000 0.436 994 Q N -0.279 119.491 119.800 -0.050 0.000 2.152 994 Q HA -0.212 4.128 4.340 -0.000 0.000 0.206 994 Q C 1.702 177.647 176.000 -0.091 0.000 0.985 994 Q CA 1.689 57.451 55.803 -0.069 0.000 0.863 994 Q CB -0.262 28.450 28.738 -0.042 0.000 0.904 994 Q HN 0.532 nan 8.270 nan 0.000 0.422 995 E N 0.249 120.410 120.200 -0.065 0.000 2.515 995 E HA -0.086 4.263 4.350 -0.000 0.000 0.201 995 E C 0.607 177.163 176.600 -0.073 0.000 1.071 995 E CA 0.551 56.915 56.400 -0.060 0.000 0.880 995 E CB -0.031 29.645 29.700 -0.039 0.000 0.828 995 E HN 0.320 nan 8.360 nan 0.000 0.540 996 N N -0.429 118.210 118.700 -0.100 0.000 2.227 996 N HA 0.101 4.841 4.740 -0.000 0.000 0.196 996 N C 0.009 175.421 175.510 -0.164 0.000 1.142 996 N CA 0.018 53.006 53.050 -0.103 0.000 0.887 996 N CB 0.588 39.024 38.487 -0.085 0.000 1.022 996 N HN 0.096 nan 8.380 nan 0.000 0.500 997 L N 1.996 123.037 121.223 -0.304 0.000 2.363 997 L HA 0.300 4.640 4.340 -0.000 0.000 0.286 997 L C -0.493 176.175 176.870 -0.337 0.000 1.106 997 L CA 0.042 54.482 54.840 -0.667 0.000 0.859 997 L CB 0.054 41.343 42.059 -1.283 0.000 1.223 997 L HN -0.154 nan 8.230 nan 0.000 0.446 998 L N 4.236 125.468 121.223 0.016 0.000 2.345 998 L HA 0.303 4.643 4.340 -0.000 0.000 0.274 998 L C 0.846 177.835 176.870 0.199 0.000 0.999 998 L CA -0.463 54.434 54.840 0.095 0.000 0.849 998 L CB 1.714 43.790 42.059 0.028 0.000 1.220 998 L HN 0.338 nan 8.230 nan 0.000 0.422 999 V N 3.151 123.187 119.914 0.203 0.000 2.535 999 V HA 0.072 4.192 4.120 -0.000 0.000 0.246 999 V C 0.747 176.881 176.094 0.067 0.000 1.045 999 V CA 0.922 63.294 62.300 0.121 0.000 1.058 999 V CB -0.033 31.864 31.823 0.125 0.000 0.689 999 V HN 0.492 nan 8.190 nan 0.000 0.461 1000 L N -0.586 120.676 121.223 0.065 0.000 2.354 1000 L HA 0.531 4.871 4.340 -0.000 0.000 0.269 1000 L C 0.687 177.578 176.870 0.035 0.000 1.005 1000 L CA -0.488 54.382 54.840 0.049 0.000 0.819 1000 L CB 2.558 44.648 42.059 0.053 0.000 1.311 1000 L HN -0.084 nan 8.230 nan 0.000 0.423 1001 R N 0.381 120.899 120.500 0.030 0.000 2.487 1001 R HA 0.185 4.525 4.340 -0.000 0.000 0.272 1001 R C 0.663 176.973 176.300 0.015 0.000 0.928 1001 R CA -0.167 55.945 56.100 0.019 0.000 1.077 1001 R CB 1.081 31.391 30.300 0.015 0.000 1.265 1001 R HN 0.762 nan 8.270 nan 0.000 0.537 1002 G N 1.130 109.942 108.800 0.021 0.000 2.287 1002 G HA2 -0.157 3.802 3.960 -0.000 0.000 0.235 1002 G HA3 -0.157 3.802 3.960 -0.000 0.000 0.235 1002 G C 0.319 175.224 174.900 0.009 0.000 1.258 1002 G CA -0.015 45.096 45.100 0.017 0.000 0.884 1002 G HN 0.147 nan 8.290 nan 0.000 0.518 1003 K N 1.512 121.916 120.400 0.006 0.000 2.365 1003 K HA -0.055 4.265 4.320 -0.000 0.000 0.197 1003 K C 1.404 178.004 176.600 -0.001 0.000 1.042 1003 K CA 0.414 56.701 56.287 0.001 0.000 0.987 1003 K CB -0.086 32.413 32.500 -0.001 0.000 0.779 1003 K HN 0.801 nan 8.250 nan 0.000 0.484 1004 N N 0.061 118.762 118.700 0.001 0.000 2.288 1004 N HA -0.132 4.608 4.740 -0.000 0.000 0.237 1004 N C 0.784 176.291 175.510 -0.005 0.000 1.311 1004 N CA 0.042 53.091 53.050 -0.001 0.000 0.909 1004 N CB 0.491 38.979 38.487 0.002 0.000 1.167 1004 N HN -0.071 nan 8.380 nan 0.000 0.476 1005 E N 0.090 120.284 120.200 -0.009 0.000 2.046 1005 E HA -0.040 4.309 4.350 -0.000 0.000 0.190 1005 E C 1.607 178.196 176.600 -0.018 0.000 0.982 1005 E CA 0.999 57.390 56.400 -0.015 0.000 0.800 1005 E CB -0.285 29.404 29.700 -0.017 0.000 0.756 1005 E HN 0.688 nan 8.360 nan 0.000 0.449 1006 I N 0.535 121.094 120.570 -0.018 0.000 2.151 1006 I HA -0.281 3.889 4.170 -0.000 0.000 0.243 1006 I C 1.855 177.962 176.117 -0.018 0.000 1.080 1006 I CA 1.016 62.300 61.300 -0.026 0.000 1.339 1006 I CB -0.233 37.751 38.000 -0.026 0.000 1.039 1006 I HN 0.276 nan 8.210 nan 0.000 0.409 1007 I N 0.071 120.640 120.570 -0.003 0.000 2.202 1007 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 1007 I C 2.513 178.632 176.117 0.003 0.000 1.091 1007 I CA 1.321 62.627 61.300 0.010 0.000 1.368 1007 I CB -1.535 36.478 38.000 0.021 0.000 1.058 1007 I HN 0.318 nan 8.210 nan 0.000 0.410 1008 Q N 0.672 120.470 119.800 -0.004 0.000 2.234 1008 Q HA -0.177 4.162 4.340 -0.000 0.000 0.206 1008 Q C 1.919 177.908 176.000 -0.019 0.000 0.980 1008 Q CA 1.102 56.899 55.803 -0.011 0.000 0.869 1008 Q CB -0.506 28.224 28.738 -0.014 0.000 0.912 1008 Q HN 0.534 nan 8.270 nan 0.000 0.436 1009 N N -0.163 118.524 118.700 -0.023 0.000 2.207 1009 N HA -0.023 4.717 4.740 -0.000 0.000 0.182 1009 N C 1.568 177.060 175.510 -0.031 0.000 1.020 1009 N CA 1.091 54.121 53.050 -0.034 0.000 0.858 1009 N CB -0.009 38.453 38.487 -0.041 0.000 0.991 1009 N HN 0.203 nan 8.380 nan 0.000 0.427 1010 A N 1.187 123.995 122.820 -0.020 0.000 1.877 1010 A HA -0.215 4.104 4.320 -0.000 0.000 0.216 1010 A C 2.200 179.791 177.584 0.011 0.000 1.186 1010 A CA 1.826 53.860 52.037 -0.006 0.000 0.620 1010 A CB -0.724 18.283 19.000 0.011 0.000 0.822 1010 A HN 0.323 nan 8.150 nan 0.000 0.443 1011 Q N 0.128 119.936 119.800 0.013 0.000 2.096 1011 Q HA -0.161 4.179 4.340 -0.000 0.000 0.204 1011 Q C 2.079 178.084 176.000 0.008 0.000 0.982 1011 Q CA 2.170 57.986 55.803 0.022 0.000 0.850 1011 Q CB -0.447 28.300 28.738 0.015 0.000 0.901 1011 Q HN 0.622 nan 8.270 nan 0.000 0.422 1012 R N -0.086 120.404 120.500 -0.016 0.000 2.127 1012 R HA -0.131 4.209 4.340 -0.000 0.000 0.238 1012 R C 1.500 177.776 176.300 -0.040 0.000 1.134 1012 R CA 1.430 57.508 56.100 -0.036 0.000 0.975 1012 R CB -0.074 30.194 30.300 -0.054 0.000 0.865 1012 R HN 0.455 nan 8.270 nan 0.000 0.447 1013 D N -0.036 120.347 120.400 -0.028 0.000 2.144 1013 D HA -0.024 4.616 4.640 -0.000 0.000 0.207 1013 D C 1.780 178.090 176.300 0.017 0.000 0.970 1013 D CA 1.270 55.254 54.000 -0.027 0.000 0.853 1013 D CB -0.333 40.451 40.800 -0.026 0.000 1.007 1013 D HN 0.144 nan 8.370 nan 0.000 0.469 1014 A N 0.607 123.452 122.820 0.042 0.000 2.042 1014 A HA -0.163 4.157 4.320 -0.000 0.000 0.222 1014 A C 2.267 179.926 177.584 0.125 0.000 1.167 1014 A CA 1.303 53.388 52.037 0.080 0.000 0.649 1014 A CB -0.470 18.584 19.000 0.090 0.000 0.809 1014 A HN 0.195 nan 8.150 nan 0.000 0.457 1015 V N -0.951 119.026 119.914 0.106 0.000 3.660 1015 V HA -0.063 4.056 4.120 -0.000 0.000 0.276 1015 V C 2.256 178.424 176.094 0.123 0.000 1.317 1015 V CA 1.386 63.771 62.300 0.142 0.000 1.097 1015 V CB -0.416 31.436 31.823 0.048 0.000 0.863 1015 V HN 0.616 nan 8.190 nan 0.000 0.438 1016 T N 1.126 115.709 114.554 0.050 0.000 2.597 1016 T HA -0.271 4.079 4.350 -0.000 0.000 0.267 1016 T C 1.865 176.604 174.700 0.065 0.000 1.053 1016 T CA 2.179 64.269 62.100 -0.018 0.000 1.165 1016 T CB -0.317 68.489 68.868 -0.104 0.000 0.863 1016 T HN 0.284 nan 8.240 nan 0.000 0.427 1017 L N 0.348 121.660 121.223 0.148 0.000 2.027 1017 L HA 0.113 4.452 4.340 -0.000 0.000 0.206 1017 L C 2.080 179.062 176.870 0.187 0.000 1.074 1017 L CA 1.505 56.462 54.840 0.194 0.000 0.745 1017 L CB -1.116 41.062 42.059 0.197 0.000 0.898 1017 L HN 0.283 nan 8.230 nan 0.000 0.433 1018 F N -0.558 119.466 119.950 0.123 0.000 2.161 1018 F HA -0.293 4.234 4.527 -0.000 0.000 0.300 1018 F C 2.525 178.368 175.800 0.071 0.000 1.089 1018 F CA 1.861 59.942 58.000 0.135 0.000 1.282 1018 F CB -0.598 38.542 39.000 0.234 0.000 1.010 1018 F HN 0.164 nan 8.300 nan 0.000 0.485 1019 C N -0.250 119.111 119.300 0.103 0.000 2.425 1019 C HA -0.203 4.256 4.460 -0.000 0.000 0.277 1019 C C 3.021 177.959 174.990 -0.087 0.000 1.280 1019 C CA 1.170 60.173 59.018 -0.025 0.000 1.744 1019 C CB -1.768 25.979 27.740 0.011 0.000 1.989 1019 C HN 0.724 nan 8.230 nan 0.000 0.491 1020 C N -0.151 119.126 119.300 -0.039 0.000 2.440 1020 C HA -0.083 4.377 4.460 -0.000 0.000 0.278 1020 C C 2.482 177.442 174.990 -0.049 0.000 1.295 1020 C CA 0.670 59.676 59.018 -0.019 0.000 1.738 1020 C CB -1.612 26.169 27.740 0.068 0.000 1.987 1020 C HN 0.647 nan 8.230 nan 0.000 0.492 1021 L N 1.045 122.209 121.223 -0.098 0.000 1.989 1021 L HA -0.104 4.235 4.340 -0.000 0.000 0.211 1021 L C 2.364 179.116 176.870 -0.197 0.000 1.071 1021 L CA 1.823 56.579 54.840 -0.140 0.000 0.749 1021 L CB -0.984 40.938 42.059 -0.228 0.000 0.890 1021 L HN 0.285 nan 8.230 nan 0.000 0.431 1022 L N -0.303 120.697 121.223 -0.373 0.000 1.989 1022 L HA -0.227 4.113 4.340 -0.000 0.000 0.211 1022 L C 2.748 179.566 176.870 -0.086 0.000 1.071 1022 L CA 1.834 56.504 54.840 -0.285 0.000 0.749 1022 L CB -0.550 41.299 42.059 -0.351 0.000 0.890 1022 L HN 0.240 nan 8.230 nan 0.000 0.431 1023 R N -0.533 119.924 120.500 -0.071 0.000 2.103 1023 R HA -0.174 4.166 4.340 -0.000 0.000 0.242 1023 R C 2.406 178.705 176.300 -0.003 0.000 1.142 1023 R CA 1.778 57.862 56.100 -0.027 0.000 0.960 1023 R CB -0.652 29.618 30.300 -0.050 0.000 0.858 1023 R HN 0.681 nan 8.270 nan 0.000 0.439 1024 S N 0.020 115.710 115.700 -0.016 0.000 2.481 1024 S HA 0.003 4.472 4.470 -0.000 0.000 0.231 1024 S C 1.775 176.512 174.600 0.229 0.000 0.996 1024 S CA 0.490 58.723 58.200 0.054 0.000 0.942 1024 S CB 0.092 63.317 63.200 0.041 0.000 0.768 1024 S HN 0.149 nan 8.310 nan 0.000 0.520 1025 R N 0.791 121.386 120.500 0.158 0.000 2.128 1025 R HA 0.383 4.723 4.340 -0.000 0.000 0.211 1025 R C 1.125 177.628 176.300 0.338 0.000 1.067 1025 R CA 0.536 56.783 56.100 0.246 0.000 1.010 1025 R CB -0.582 29.803 30.300 0.142 0.000 0.922 1025 R HN 0.446 nan 8.270 nan 0.000 0.457 1026 L N 1.405 122.768 121.223 0.233 0.000 3.034 1026 L HA 0.401 4.741 4.340 -0.000 0.000 0.245 1026 L C 0.270 177.264 176.870 0.208 0.000 1.295 1026 L CA -0.583 54.427 54.840 0.284 0.000 1.068 1026 L CB 0.362 42.577 42.059 0.261 0.000 1.426 1026 L HN -0.089 nan 8.230 nan 0.000 0.531 1027 A N -0.212 122.715 122.820 0.178 0.000 2.445 1027 A HA 0.230 4.550 4.320 -0.000 0.000 0.242 1027 A C 1.470 179.096 177.584 0.070 0.000 1.075 1027 A CA 0.060 52.185 52.037 0.148 0.000 0.777 1027 A CB 0.396 19.572 19.000 0.292 0.000 1.013 1027 A HN 0.349 nan 8.150 nan 0.000 0.493 1028 T N 0.947 115.528 114.554 0.044 0.000 2.665 1028 T HA -0.197 4.152 4.350 -0.000 0.000 0.268 1028 T C 2.080 176.740 174.700 -0.066 0.000 1.035 1028 T CA 1.990 64.076 62.100 -0.023 0.000 1.151 1028 T CB -0.237 68.617 68.868 -0.024 0.000 0.862 1028 T HN 0.707 nan 8.240 nan 0.000 0.438 1029 R N 0.611 121.073 120.500 -0.063 0.000 2.070 1029 R HA -0.045 4.295 4.340 -0.000 0.000 0.232 1029 R C 2.660 178.843 176.300 -0.195 0.000 1.138 1029 R CA 1.044 57.072 56.100 -0.119 0.000 0.936 1029 R CB -0.110 30.114 30.300 -0.126 0.000 0.839 1029 R HN 0.146 nan 8.270 nan 0.000 0.429 1030 R N 0.179 120.528 120.500 -0.252 0.000 2.159 1030 R HA -0.201 4.139 4.340 -0.000 0.000 0.249 1030 R C 2.205 178.161 176.300 -0.572 0.000 1.136 1030 R CA 2.076 57.898 56.100 -0.464 0.000 0.951 1030 R CB -1.081 28.995 30.300 -0.373 0.000 0.876 1030 R HN 0.242 nan 8.270 nan 0.000 0.440 1031 V N 1.027 120.804 119.914 -0.229 0.000 2.469 1031 V HA -0.222 3.897 4.120 -0.000 0.000 0.251 1031 V C 2.250 178.303 176.094 -0.068 0.000 1.064 1031 V CA 1.663 63.960 62.300 -0.005 0.000 1.066 1031 V CB -0.328 31.511 31.823 0.026 0.000 0.667 1031 V HN 0.242 nan 8.190 nan 0.000 0.461 1032 L N -1.725 119.412 121.223 -0.145 0.000 2.435 1032 L HA 0.086 4.426 4.340 -0.000 0.000 0.195 1032 L C 2.364 179.148 176.870 -0.143 0.000 1.072 1032 L CA 0.578 55.341 54.840 -0.129 0.000 0.833 1032 L CB -0.661 41.327 42.059 -0.120 0.000 1.081 1032 L HN 0.166 nan 8.230 nan 0.000 0.485 1033 Q N 1.125 120.827 119.800 -0.162 0.000 1.927 1033 Q HA -0.246 4.093 4.340 -0.000 0.000 0.210 1033 Q C 1.968 177.880 176.000 -0.147 0.000 1.001 1033 Q CA 2.396 58.111 55.803 -0.146 0.000 0.862 1033 Q CB -0.012 28.629 28.738 -0.162 0.000 0.934 1033 Q HN 0.423 nan 8.270 nan 0.000 0.420 1034 E N -1.340 118.724 120.200 -0.225 0.000 2.014 1034 E HA -0.124 4.225 4.350 -0.000 0.000 0.190 1034 E C 2.195 178.788 176.600 -0.013 0.000 0.980 1034 E CA 1.220 57.530 56.400 -0.150 0.000 0.807 1034 E CB -0.331 29.199 29.700 -0.283 0.000 0.770 1034 E HN 0.502 nan 8.360 nan 0.000 0.451 1035 Y N 0.015 120.295 120.300 -0.033 0.000 2.200 1035 Y HA 0.010 4.559 4.550 -0.000 0.000 0.290 1035 Y C 0.867 176.665 175.900 -0.171 0.000 1.137 1035 Y CA 0.012 58.096 58.100 -0.028 0.000 1.163 1035 Y CB 0.220 38.700 38.460 0.033 0.000 0.988 1035 Y HN -0.119 nan 8.280 nan 0.000 0.518 1036 R N -0.403 120.059 120.500 -0.064 0.000 3.878 1036 R HA -0.182 4.158 4.340 -0.000 0.000 0.330 1036 R C -0.591 175.662 176.300 -0.078 0.000 1.186 1036 R CA 0.351 56.346 56.100 -0.175 0.000 0.885 1036 R CB -2.582 27.433 30.300 -0.474 0.000 1.377 1036 R HN 0.364 nan 8.270 nan 0.000 0.523 1037 L N 1.975 123.216 121.223 0.030 0.000 2.540 1037 L HA -0.010 4.330 4.340 -0.000 0.000 0.276 1037 L C 1.769 178.633 176.870 -0.010 0.000 1.212 1037 L CA 0.961 55.831 54.840 0.050 0.000 0.893 1037 L CB 0.222 42.401 42.059 0.201 0.000 1.138 1037 L HN 0.202 nan 8.230 nan 0.000 0.491 1038 T N -0.377 114.152 114.554 -0.041 0.000 2.754 1038 T HA 0.105 4.455 4.350 -0.000 0.000 0.286 1038 T C 0.966 175.654 174.700 -0.020 0.000 0.997 1038 T CA -0.702 61.369 62.100 -0.048 0.000 0.982 1038 T CB 1.189 70.022 68.868 -0.058 0.000 1.027 1038 T HN 0.611 nan 8.240 nan 0.000 0.529 1039 K N 0.009 120.404 120.400 -0.010 0.000 2.211 1039 K HA -0.167 4.152 4.320 -0.000 0.000 0.204 1039 K C 2.276 178.910 176.600 0.055 0.000 1.047 1039 K CA 1.689 58.006 56.287 0.050 0.000 0.935 1039 K CB -0.310 32.209 32.500 0.032 0.000 0.728 1039 K HN 0.737 nan 8.250 nan 0.000 0.452 1040 Q N -0.812 118.951 119.800 -0.062 0.000 2.033 1040 Q HA -0.009 4.331 4.340 -0.000 0.000 0.196 1040 Q C 2.016 177.728 176.000 -0.480 0.000 0.970 1040 Q CA 1.192 56.900 55.803 -0.157 0.000 0.828 1040 Q CB -0.200 28.468 28.738 -0.117 0.000 0.895 1040 Q HN 0.433 nan 8.270 nan 0.000 0.440 1041 A N 0.461 122.772 122.820 -0.849 0.000 1.877 1041 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 1041 A C 1.859 179.356 177.584 -0.145 0.000 1.186 1041 A CA 1.312 52.757 52.037 -0.986 0.000 0.620 1041 A CB -1.021 17.576 19.000 -0.671 0.000 0.822 1041 A HN 0.560 nan 8.150 nan 0.000 0.443 1042 F N 1.381 121.246 119.950 -0.142 0.000 2.043 1042 F HA -0.247 4.279 4.527 -0.000 0.000 0.297 1042 F C 1.719 177.535 175.800 0.028 0.000 1.121 1042 F CA 2.459 60.450 58.000 -0.015 0.000 1.199 1042 F CB -0.587 38.404 39.000 -0.014 0.000 0.968 1042 F HN 0.289 nan 8.300 nan 0.000 0.478 1043 D N -1.068 119.372 120.400 0.068 0.000 2.228 1043 D HA -0.241 4.398 4.640 -0.000 0.000 0.203 1043 D C 1.643 177.942 176.300 -0.002 0.000 0.988 1043 D CA 1.420 55.415 54.000 -0.008 0.000 0.864 1043 D CB -0.487 40.371 40.800 0.096 0.000 0.928 1043 D HN 0.574 nan 8.370 nan 0.000 0.469 1044 W N 0.376 121.591 121.300 -0.141 0.000 2.443 1044 W HA -0.097 4.563 4.660 -0.000 0.000 0.296 1044 W C 1.947 178.416 176.519 -0.082 0.000 1.202 1044 W CA 0.774 58.093 57.345 -0.043 0.000 1.312 1044 W CB -0.304 29.196 29.460 0.067 0.000 1.120 1044 W HN -0.230 nan 8.180 nan 0.000 0.536 1045 V N 1.486 121.406 119.914 0.011 0.000 2.343 1045 V HA -0.347 3.772 4.120 -0.000 0.000 0.247 1045 V C 2.353 178.264 176.094 -0.305 0.000 1.051 1045 V CA 1.979 64.183 62.300 -0.159 0.000 1.036 1045 V CB -1.181 30.594 31.823 -0.080 0.000 0.654 1045 V HN 0.224 nan 8.190 nan 0.000 0.451 1046 L N 0.930 121.918 121.223 -0.391 0.000 1.955 1046 L HA -0.201 4.139 4.340 -0.000 0.000 0.213 1046 L C 2.785 179.511 176.870 -0.240 0.000 1.072 1046 L CA 2.306 56.946 54.840 -0.334 0.000 0.755 1046 L CB -1.145 40.680 42.059 -0.390 0.000 0.888 1046 L HN 0.582 nan 8.230 nan 0.000 0.432 1047 S N -0.833 114.723 115.700 -0.239 0.000 2.419 1047 S HA -0.165 4.305 4.470 -0.000 0.000 0.233 1047 S C 1.711 176.144 174.600 -0.279 0.000 1.016 1047 S CA 1.145 59.221 58.200 -0.208 0.000 0.974 1047 S CB -0.486 62.626 63.200 -0.147 0.000 0.786 1047 S HN 0.404 nan 8.310 nan 0.000 0.492 1048 N N 1.615 120.045 118.700 -0.450 0.000 2.109 1048 N HA 0.090 4.829 4.740 -0.000 0.000 0.188 1048 N C 1.787 177.161 175.510 -0.226 0.000 1.034 1048 N CA 1.551 54.321 53.050 -0.467 0.000 0.846 1048 N CB -0.353 37.627 38.487 -0.845 0.000 1.010 1048 N HN 0.421 nan 8.380 nan 0.000 0.425 1049 I N 1.734 122.205 120.570 -0.164 0.000 2.185 1049 I HA -0.281 3.889 4.170 -0.000 0.000 0.246 1049 I C 2.478 178.613 176.117 0.031 0.000 1.088 1049 I CA 1.299 62.601 61.300 0.004 0.000 1.347 1049 I CB -0.192 37.840 38.000 0.054 0.000 1.041 1049 I HN 0.269 nan 8.210 nan 0.000 0.415 1050 E N 0.725 120.899 120.200 -0.043 0.000 2.150 1050 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 1050 E C 2.239 178.837 176.600 -0.003 0.000 0.985 1050 E CA 1.123 57.503 56.400 -0.033 0.000 0.814 1050 E CB 0.058 29.714 29.700 -0.073 0.000 0.752 1050 E HN 0.526 nan 8.360 nan 0.000 0.466 1051 A N 0.882 123.670 122.820 -0.053 0.000 1.872 1051 A HA -0.190 4.130 4.320 -0.000 0.000 0.214 1051 A C 2.055 179.622 177.584 -0.029 0.000 1.187 1051 A CA 1.272 53.278 52.037 -0.053 0.000 0.614 1051 A CB -0.425 18.517 19.000 -0.096 0.000 0.826 1051 A HN 0.246 nan 8.150 nan 0.000 0.442 1052 Q N -1.803 117.984 119.800 -0.022 0.000 2.119 1052 Q HA -0.121 4.219 4.340 -0.000 0.000 0.201 1052 Q C 1.908 177.888 176.000 -0.034 0.000 0.972 1052 Q CA 1.435 57.234 55.803 -0.008 0.000 0.847 1052 Q CB -0.288 28.463 28.738 0.021 0.000 0.903 1052 Q HN 0.733 nan 8.270 nan 0.000 0.433 1053 F N 1.392 121.246 119.950 -0.160 0.000 2.095 1053 F HA -0.257 4.270 4.527 -0.000 0.000 0.298 1053 F C 1.785 177.455 175.800 -0.216 0.000 1.104 1053 F CA 1.347 59.181 58.000 -0.277 0.000 1.232 1053 F CB -0.098 38.651 39.000 -0.418 0.000 0.987 1053 F HN -0.040 nan 8.300 nan 0.000 0.475 1054 L N 0.034 121.275 121.223 0.029 0.000 1.994 1054 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 1054 L C 2.651 179.397 176.870 -0.207 0.000 1.071 1054 L CA 1.768 56.569 54.840 -0.066 0.000 0.745 1054 L CB -0.808 41.249 42.059 -0.004 0.000 0.892 1054 L HN 0.042 nan 8.230 nan 0.000 0.431 1055 R N -0.241 120.158 120.500 -0.168 0.000 2.185 1055 R HA -0.177 4.162 4.340 -0.000 0.000 0.247 1055 R C 2.075 178.107 176.300 -0.445 0.000 1.159 1055 R CA 1.619 57.592 56.100 -0.213 0.000 0.988 1055 R CB -0.108 30.133 30.300 -0.098 0.000 0.871 1055 R HN 0.262 nan 8.270 nan 0.000 0.458 1056 S N -0.595 114.856 115.700 -0.415 0.000 2.603 1056 S HA 0.075 4.545 4.470 -0.000 0.000 0.220 1056 S C 0.126 174.487 174.600 -0.399 0.000 0.967 1056 S CA -0.078 57.867 58.200 -0.426 0.000 0.920 1056 S CB 0.562 63.553 63.200 -0.348 0.000 0.773 1056 S HN -0.004 nan 8.310 nan 0.000 0.529 1057 V N 2.289 121.962 119.914 -0.402 0.000 2.498 1057 V HA 0.209 4.329 4.120 -0.000 0.000 0.279 1057 V C 0.463 176.465 176.094 -0.153 0.000 1.048 1057 V CA -0.580 61.545 62.300 -0.292 0.000 0.967 1057 V CB 1.489 33.142 31.823 -0.283 0.000 0.988 1057 V HN 0.161 nan 8.190 nan 0.000 0.473 1058 V N 6.802 126.691 119.914 -0.041 0.000 2.617 1058 V HA 0.020 4.140 4.120 -0.000 0.000 0.304 1058 V C 0.533 176.609 176.094 -0.030 0.000 1.040 1058 V CA 0.119 62.441 62.300 0.037 0.000 1.149 1058 V CB -0.003 31.864 31.823 0.074 0.000 0.914 1058 V HN 0.823 nan 8.190 nan 0.000 0.487 1059 H N 7.309 126.280 119.070 -0.165 0.000 2.767 1059 H HA 0.239 4.795 4.556 -0.000 0.000 0.316 1059 H C -2.225 172.934 175.328 -0.281 0.000 1.059 1059 H CA -1.640 54.292 56.048 -0.194 0.000 1.461 1059 H CB 1.069 30.737 29.762 -0.157 0.000 1.475 1059 H HN 0.567 nan 8.280 nan 0.000 0.531 1060 P HA -0.028 nan 4.420 nan 0.000 0.265 1060 P C 0.962 177.992 177.300 -0.450 0.000 1.193 1060 P CA 0.922 63.682 63.100 -0.566 0.000 0.765 1060 P CB 0.734 31.664 31.700 -1.283 0.000 0.823 1061 G N 1.760 110.351 108.800 -0.349 0.000 2.481 1061 G HA2 -0.161 3.798 3.960 -0.000 0.000 0.200 1061 G HA3 -0.161 3.798 3.960 -0.000 0.000 0.200 1061 G C -0.039 174.751 174.900 -0.184 0.000 1.012 1061 G CA -0.516 44.471 45.100 -0.187 0.000 0.676 1061 G HN 0.506 nan 8.290 nan 0.000 0.488 1062 E N 2.262 122.335 120.200 -0.212 0.000 2.491 1062 E HA 0.113 4.463 4.350 -0.000 0.000 0.250 1062 E C 0.759 177.224 176.600 -0.225 0.000 1.061 1062 E CA 0.164 56.435 56.400 -0.214 0.000 0.942 1062 E CB 0.244 29.780 29.700 -0.273 0.000 0.957 1062 E HN 0.235 nan 8.360 nan 0.000 0.480 1063 M N 3.863 123.367 119.600 -0.161 0.000 3.752 1063 M HA -0.053 4.427 4.480 -0.000 0.000 0.169 1063 M C 1.296 177.522 176.300 -0.124 0.000 1.684 1063 M CA 0.075 55.296 55.300 -0.132 0.000 1.778 1063 M CB -1.407 31.136 32.600 -0.096 0.000 1.250 1063 M HN 0.233 nan 8.290 nan 0.000 0.510 1064 V N 0.864 120.665 119.914 -0.187 0.000 2.828 1064 V HA -0.217 3.903 4.120 -0.000 0.000 0.260 1064 V C 2.051 178.142 176.094 -0.005 0.000 1.101 1064 V CA 2.261 64.452 62.300 -0.183 0.000 1.123 1064 V CB -0.679 30.814 31.823 -0.550 0.000 0.704 1064 V HN 0.770 nan 8.190 nan 0.000 0.493 1065 G N -1.068 107.718 108.800 -0.023 0.000 2.456 1065 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.213 1065 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.213 1065 G C 1.624 176.524 174.900 0.001 0.000 1.215 1065 G CA 0.863 45.971 45.100 0.013 0.000 0.805 1065 G HN 0.291 nan 8.290 nan 0.000 0.537 1066 V N 1.001 120.898 119.914 -0.029 0.000 2.250 1066 V HA -0.266 3.854 4.120 -0.000 0.000 0.253 1066 V C 2.822 178.890 176.094 -0.044 0.000 1.065 1066 V CA 2.141 64.416 62.300 -0.041 0.000 1.039 1066 V CB -0.685 31.107 31.823 -0.051 0.000 0.647 1066 V HN 0.339 nan 8.190 nan 0.000 0.446 1067 L N 0.210 121.411 121.223 -0.036 0.000 1.991 1067 L HA -0.303 4.037 4.340 -0.000 0.000 0.221 1067 L C 2.466 179.283 176.870 -0.088 0.000 1.079 1067 L CA 2.789 57.603 54.840 -0.043 0.000 0.778 1067 L CB -0.820 41.263 42.059 0.040 0.000 0.893 1067 L HN 0.316 nan 8.230 nan 0.000 0.437 1068 A N -1.371 121.495 122.820 0.077 0.000 1.972 1068 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 1068 A C 2.364 179.932 177.584 -0.028 0.000 1.169 1068 A CA 1.781 53.893 52.037 0.125 0.000 0.635 1068 A CB -1.012 18.125 19.000 0.229 0.000 0.810 1068 A HN 0.587 nan 8.150 nan 0.000 0.446 1069 A N -0.777 122.020 122.820 -0.039 0.000 1.897 1069 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 1069 A C 2.004 179.536 177.584 -0.087 0.000 1.181 1069 A CA 1.424 53.424 52.037 -0.062 0.000 0.620 1069 A CB -0.416 18.549 19.000 -0.058 0.000 0.821 1069 A HN 0.615 nan 8.150 nan 0.000 0.443 1070 Q N -0.256 119.488 119.800 -0.092 0.000 2.444 1070 Q HA 0.086 4.426 4.340 -0.000 0.000 0.206 1070 Q C 1.561 177.499 176.000 -0.103 0.000 0.948 1070 Q CA 0.753 56.510 55.803 -0.077 0.000 0.946 1070 Q CB 0.168 28.883 28.738 -0.037 0.000 1.027 1070 Q HN 0.583 nan 8.270 nan 0.000 0.513 1071 S N -0.173 115.402 115.700 -0.208 0.000 2.486 1071 S HA 0.124 4.593 4.470 -0.000 0.000 0.220 1071 S C 1.620 176.110 174.600 -0.184 0.000 1.011 1071 S CA 0.248 58.272 58.200 -0.293 0.000 0.921 1071 S CB 0.316 63.044 63.200 -0.786 0.000 0.785 1071 S HN 0.287 nan 8.310 nan 0.000 0.517 1072 I N 1.011 121.499 120.570 -0.137 0.000 2.628 1072 I HA 0.111 4.281 4.170 -0.000 0.000 0.255 1072 I C 2.569 178.625 176.117 -0.102 0.000 1.119 1072 I CA 0.680 61.919 61.300 -0.103 0.000 1.448 1072 I CB -0.618 37.335 38.000 -0.079 0.000 1.133 1072 I HN 0.311 nan 8.210 nan 0.000 0.438 1073 G N 0.521 109.260 108.800 -0.101 0.000 2.484 1073 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.215 1073 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.215 1073 G C 1.493 176.323 174.900 -0.116 0.000 1.219 1073 G CA 0.579 45.620 45.100 -0.099 0.000 0.791 1073 G HN 0.265 nan 8.290 nan 0.000 0.550 1074 E N 0.985 121.098 120.200 -0.145 0.000 2.113 1074 E HA -0.183 4.167 4.350 -0.000 0.000 0.210 1074 E C 0.429 176.908 176.600 -0.201 0.000 1.040 1074 E CA 2.163 58.420 56.400 -0.238 0.000 0.847 1074 E CB -0.928 28.507 29.700 -0.443 0.000 0.755 1074 E HN 0.341 nan 8.360 nan 0.000 0.459 1075 P HA -0.098 nan 4.420 nan 0.000 0.217 1075 P C 1.218 178.460 177.300 -0.096 0.000 1.150 1075 P CA 1.870 64.900 63.100 -0.117 0.000 0.832 1075 P CB -0.247 31.396 31.700 -0.095 0.000 0.787 1076 A N -0.040 122.725 122.820 -0.092 0.000 2.024 1076 A HA -0.104 4.215 4.320 -0.000 0.000 0.220 1076 A C 1.809 179.352 177.584 -0.068 0.000 1.164 1076 A CA 1.749 53.742 52.037 -0.074 0.000 0.643 1076 A CB -1.854 17.105 19.000 -0.069 0.000 0.806 1076 A HN 0.231 nan 8.150 nan 0.000 0.451 1077 T N 0.198 114.701 114.554 -0.085 0.000 3.434 1077 T HA 0.137 4.487 4.350 -0.000 0.000 0.249 1077 T C 0.727 175.381 174.700 -0.077 0.000 1.050 1077 T CA 0.470 62.523 62.100 -0.078 0.000 0.952 1077 T CB -0.069 68.744 68.868 -0.092 0.000 1.046 1077 T HN 0.511 nan 8.240 nan 0.000 0.590 1078 Q N -0.393 119.366 119.800 -0.069 0.000 2.043 1078 Q HA 0.298 4.638 4.340 -0.000 0.000 0.219 1078 Q C 0.315 176.289 176.000 -0.044 0.000 0.762 1078 Q CA 0.022 55.790 55.803 -0.058 0.000 0.943 1078 Q CB 0.359 29.059 28.738 -0.063 0.000 1.194 1078 Q HN 0.517 nan 8.270 nan 0.000 0.447 1079 M N 2.300 121.874 119.600 -0.044 0.000 2.538 1079 M HA 0.118 4.598 4.480 -0.000 0.000 0.327 1079 M C -0.517 175.766 176.300 -0.028 0.000 1.545 1079 M CA 0.786 56.065 55.300 -0.035 0.000 1.380 1079 M CB -0.077 32.500 32.600 -0.037 0.000 1.657 1079 M HN -0.206 nan 8.290 nan 0.000 0.459 1080 T N 5.601 120.141 114.554 -0.023 0.000 3.155 1080 T HA 0.662 5.012 4.350 -0.000 0.000 0.384 1080 T C -0.203 174.489 174.700 -0.012 0.000 1.351 1080 T CA -0.345 61.744 62.100 -0.019 0.000 1.198 1080 T CB 0.446 69.303 68.868 -0.020 0.000 1.106 1080 T HN 0.508 nan 8.240 nan 0.000 0.564 1093 K N 2.725 123.143 120.400 0.029 0.000 2.121 1093 K HA 0.249 4.568 4.320 -0.000 0.000 0.235 1093 K C -0.901 175.720 176.600 0.036 0.000 1.200 1093 K CA 0.084 56.386 56.287 0.025 0.000 1.115 1093 K CB 0.579 33.089 32.500 0.017 0.000 1.474 1093 K HN -0.122 nan 8.250 nan 0.000 0.295 1094 V N 0.998 120.936 119.914 0.039 0.000 2.841 1094 V HA 0.146 4.265 4.120 -0.000 0.000 0.310 1094 V C -0.000 176.116 176.094 0.037 0.000 1.090 1094 V CA -1.248 61.080 62.300 0.045 0.000 0.930 1094 V CB 2.239 34.101 31.823 0.066 0.000 1.014 1094 V HN 0.572 nan 8.190 nan 0.000 0.425 1095 T N 2.698 117.273 114.554 0.035 0.000 2.822 1095 T HA 0.316 4.666 4.350 -0.000 0.000 0.288 1095 T C 0.314 175.035 174.700 0.034 0.000 0.991 1095 T CA 0.036 62.154 62.100 0.030 0.000 1.176 1095 T CB -0.066 68.821 68.868 0.032 0.000 0.951 1095 T HN 0.953 nan 8.240 nan 0.000 0.526 1096 S N 1.690 117.403 115.700 0.023 0.000 2.704 1096 S HA 0.935 5.405 4.470 -0.000 0.000 0.296 1096 S C 0.493 175.096 174.600 0.005 0.000 1.138 1096 S CA -0.455 57.755 58.200 0.017 0.000 0.875 1096 S CB 1.685 64.893 63.200 0.013 0.000 1.151 1096 S HN 1.624 nan 8.310 nan 0.000 0.500 1097 G N -0.017 108.780 108.800 -0.006 0.000 2.598 1097 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.244 1097 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.244 1097 G C 0.556 175.450 174.900 -0.009 0.000 1.302 1097 G CA -0.142 44.949 45.100 -0.014 0.000 0.903 1097 G HN 1.511 nan 8.290 nan 0.000 0.575 1098 V N 2.863 122.771 119.914 -0.010 0.000 2.469 1098 V HA -0.117 4.002 4.120 -0.000 0.000 0.251 1098 V C 0.705 176.804 176.094 0.008 0.000 1.064 1098 V CA 2.891 65.188 62.300 -0.005 0.000 1.066 1098 V CB -1.386 30.434 31.823 -0.005 0.000 0.667 1098 V HN 0.711 nan 8.190 nan 0.000 0.461 1099 P HA -0.182 nan 4.420 nan 0.000 0.216 1099 P C 1.611 178.926 177.300 0.025 0.000 1.153 1099 P CA 1.418 64.527 63.100 0.016 0.000 0.848 1099 P CB 0.006 31.714 31.700 0.012 0.000 0.787 1100 R N 0.040 120.555 120.500 0.025 0.000 2.066 1100 R HA -0.065 4.275 4.340 -0.000 0.000 0.232 1100 R C 2.265 178.586 176.300 0.035 0.000 1.131 1100 R CA 1.038 57.161 56.100 0.038 0.000 0.955 1100 R CB -1.855 28.466 30.300 0.036 0.000 0.851 1100 R HN 0.059 nan 8.270 nan 0.000 0.432 1101 L N 1.202 122.432 121.223 0.013 0.000 2.046 1101 L HA -0.085 4.254 4.340 -0.000 0.000 0.208 1101 L C 2.008 178.885 176.870 0.011 0.000 1.077 1101 L CA 1.944 56.782 54.840 -0.002 0.000 0.747 1101 L CB -0.649 41.397 42.059 -0.022 0.000 0.896 1101 L HN 0.225 nan 8.230 nan 0.000 0.432 1102 K N -0.820 119.595 120.400 0.026 0.000 2.288 1102 K HA -0.184 4.136 4.320 -0.000 0.000 0.201 1102 K C 1.960 178.590 176.600 0.051 0.000 1.048 1102 K CA 1.008 57.321 56.287 0.043 0.000 0.956 1102 K CB 0.197 32.730 32.500 0.054 0.000 0.746 1102 K HN 0.483 nan 8.250 nan 0.000 0.461 1103 E N 0.650 120.884 120.200 0.056 0.000 2.028 1103 E HA -0.137 4.213 4.350 -0.000 0.000 0.190 1103 E C 1.915 178.595 176.600 0.134 0.000 0.984 1103 E CA 0.874 57.322 56.400 0.080 0.000 0.800 1103 E CB 0.006 29.752 29.700 0.077 0.000 0.758 1103 E HN 0.207 nan 8.360 nan 0.000 0.448 1104 I N 0.881 121.533 120.570 0.136 0.000 2.090 1104 I HA -0.314 3.856 4.170 -0.000 0.000 0.236 1104 I C 2.399 178.580 176.117 0.108 0.000 1.064 1104 I CA 1.161 62.562 61.300 0.168 0.000 1.324 1104 I CB -0.214 37.788 38.000 0.002 0.000 1.044 1104 I HN 0.222 nan 8.210 nan 0.000 0.399 1105 L N 0.274 121.507 121.223 0.016 0.000 2.127 1105 L HA -0.237 4.103 4.340 -0.000 0.000 0.211 1105 L C 1.989 178.860 176.870 0.001 0.000 1.089 1105 L CA 1.041 55.869 54.840 -0.020 0.000 0.757 1105 L CB -0.820 41.212 42.059 -0.047 0.000 0.899 1105 L HN 0.358 nan 8.230 nan 0.000 0.434 1106 N N -0.040 118.680 118.700 0.033 0.000 2.520 1106 N HA -0.063 4.676 4.740 -0.000 0.000 0.185 1106 N C 0.573 176.118 175.510 0.057 0.000 1.068 1106 N CA 0.368 53.425 53.050 0.012 0.000 0.911 1106 N CB 0.069 38.576 38.487 0.033 0.000 0.961 1106 N HN -0.002 nan 8.380 nan 0.000 0.446 1107 V N 0.297 120.327 119.914 0.193 0.000 5.726 1107 V HA -0.284 3.836 4.120 -0.000 0.000 0.260 1107 V C 0.418 176.570 176.094 0.096 0.000 0.657 1107 V CA 0.523 62.984 62.300 0.268 0.000 0.584 1107 V CB -2.514 29.465 31.823 0.260 0.000 0.241 1107 V HN 0.375 nan 8.190 nan 0.000 0.652 1108 A N 1.846 124.709 122.820 0.071 0.000 2.354 1108 A HA 0.611 4.931 4.320 -0.000 0.000 0.281 1108 A C 1.071 178.629 177.584 -0.043 0.000 1.174 1108 A CA 0.226 52.277 52.037 0.023 0.000 0.828 1108 A CB 0.909 19.929 19.000 0.034 0.000 1.099 1108 A HN 0.603 nan 8.150 nan 0.000 0.516 1109 K N 2.393 122.766 120.400 -0.044 0.000 2.217 1109 K HA -0.027 4.293 4.320 -0.000 0.000 0.202 1109 K C 0.119 176.681 176.600 -0.063 0.000 1.051 1109 K CA 1.277 57.515 56.287 -0.081 0.000 0.952 1109 K CB 0.079 32.544 32.500 -0.058 0.000 0.736 1109 K HN 0.612 nan 8.250 nan 0.000 0.453 1110 N N 1.715 120.396 118.700 -0.031 0.000 3.188 1110 N HA 0.081 4.821 4.740 -0.000 0.000 0.279 1110 N C -0.608 174.894 175.510 -0.014 0.000 1.213 1110 N CA 0.102 53.139 53.050 -0.021 0.000 1.138 1110 N CB -0.006 38.476 38.487 -0.009 0.000 1.417 1110 N HN 0.271 nan 8.380 nan 0.000 0.526 1111 M N 0.483 120.070 119.600 -0.023 0.000 2.232 1111 M HA 0.036 4.516 4.480 -0.000 0.000 0.321 1111 M C 1.674 177.975 176.300 0.001 0.000 1.101 1111 M CA 0.292 55.589 55.300 -0.006 0.000 1.181 1111 M CB 1.179 33.771 32.600 -0.013 0.000 1.432 1111 M HN 0.173 nan 8.290 nan 0.000 0.457 1112 K N 0.314 120.722 120.400 0.013 0.000 2.116 1112 K HA -0.004 4.316 4.320 -0.000 0.000 0.203 1112 K C 0.261 176.868 176.600 0.012 0.000 1.052 1112 K CA 1.053 57.347 56.287 0.012 0.000 0.952 1112 K CB 0.287 32.797 32.500 0.016 0.000 0.729 1112 K HN 0.638 nan 8.250 nan 0.000 0.446 1113 T N 2.394 116.959 114.554 0.017 0.000 3.585 1113 T HA 0.235 4.585 4.350 -0.000 0.000 0.252 1113 T C -2.744 171.966 174.700 0.018 0.000 1.382 1113 T CA -1.257 60.855 62.100 0.020 0.000 1.584 1113 T CB 1.200 70.086 68.868 0.030 0.000 0.892 1113 T HN -0.080 nan 8.240 nan 0.000 0.671 1114 P HA 0.303 nan 4.420 nan 0.000 0.267 1114 P C -0.338 176.960 177.300 -0.003 0.000 1.209 1114 P CA 0.127 63.221 63.100 -0.010 0.000 0.763 1114 P CB 0.666 32.352 31.700 -0.025 0.000 0.816 1115 S N 3.319 119.017 115.700 -0.004 0.000 2.536 1115 S HA 0.654 5.124 4.470 -0.000 0.000 0.287 1115 S C -1.009 173.583 174.600 -0.013 0.000 1.101 1115 S CA -0.598 57.607 58.200 0.007 0.000 0.950 1115 S CB 0.415 63.639 63.200 0.041 0.000 1.056 1115 S HN 0.092 nan 8.310 nan 0.000 0.481 1116 L N 2.496 123.715 121.223 -0.006 0.000 2.358 1116 L HA 0.704 5.043 4.340 -0.000 0.000 0.268 1116 L C 0.065 176.947 176.870 0.020 0.000 1.032 1116 L CA 0.063 54.901 54.840 -0.004 0.000 0.805 1116 L CB 1.974 44.029 42.059 -0.006 0.000 1.253 1116 L HN 0.795 nan 8.230 nan 0.000 0.452 1117 T N 1.366 115.949 114.554 0.048 0.000 3.066 1117 T HA 0.475 4.825 4.350 -0.000 0.000 0.318 1117 T C -1.068 173.597 174.700 -0.059 0.000 0.979 1117 T CA -0.425 61.668 62.100 -0.012 0.000 1.025 1117 T CB 1.087 70.038 68.868 0.138 0.000 1.002 1117 T HN 0.458 nan 8.240 nan 0.000 0.453 1118 V N 2.746 122.560 119.914 -0.166 0.000 2.581 1118 V HA 0.816 4.936 4.120 -0.000 0.000 0.303 1118 V C -1.665 174.284 176.094 -0.240 0.000 1.041 1118 V CA -0.700 61.555 62.300 -0.076 0.000 0.907 1118 V CB 1.252 33.073 31.823 -0.002 0.000 0.994 1118 V HN 0.730 nan 8.190 nan 0.000 0.442 1119 Y N 4.180 124.514 120.300 0.056 0.000 2.409 1119 Y HA 0.700 5.249 4.550 -0.000 0.000 0.339 1119 Y C -0.025 175.913 175.900 0.064 0.000 1.033 1119 Y CA -0.896 57.240 58.100 0.059 0.000 1.094 1119 Y CB 1.818 40.321 38.460 0.071 0.000 1.210 1119 Y HN 0.565 nan 8.280 nan 0.000 0.456 1120 L N 2.291 123.636 121.223 0.203 0.000 2.397 1120 L HA 0.125 4.465 4.340 -0.000 0.000 0.271 1120 L C 0.497 177.465 176.870 0.165 0.000 1.148 1120 L CA -0.392 54.545 54.840 0.161 0.000 0.825 1120 L CB 0.377 42.535 42.059 0.164 0.000 1.117 1120 L HN 0.637 nan 8.230 nan 0.000 0.456 1121 E N 5.955 126.240 120.200 0.141 0.000 2.892 1121 E HA -0.155 4.195 4.350 -0.000 0.000 0.273 1121 E C -1.548 175.111 176.600 0.098 0.000 0.921 1121 E CA -0.670 55.803 56.400 0.121 0.000 0.968 1121 E CB 0.613 30.397 29.700 0.141 0.000 0.941 1121 E HN 0.415 nan 8.360 nan 0.000 0.492 1122 P HA -0.248 nan 4.420 nan 0.000 0.216 1122 P C 1.251 178.527 177.300 -0.040 0.000 1.167 1122 P CA 2.115 65.222 63.100 0.012 0.000 0.914 1122 P CB -0.290 31.404 31.700 -0.009 0.000 0.793 1123 G N -0.966 107.755 108.800 -0.132 0.000 2.479 1123 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.220 1123 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.220 1123 G C 0.589 175.174 174.900 -0.524 0.000 1.115 1123 G CA 0.694 45.582 45.100 -0.355 0.000 0.757 1123 G HN 0.425 nan 8.290 nan 0.000 0.560 1124 H N -0.715 118.387 119.070 0.054 0.000 2.791 1124 H HA 0.580 5.136 4.556 -0.000 0.000 0.272 1124 H C 0.544 175.932 175.328 0.100 0.000 1.188 1124 H CA 0.005 56.093 56.048 0.067 0.000 1.436 1124 H CB 1.380 31.172 29.762 0.050 0.000 1.467 1124 H HN 0.162 nan 8.280 nan 0.000 0.500 1125 A N 1.806 124.738 122.820 0.188 0.000 2.026 1125 A HA 0.350 4.670 4.320 -0.000 0.000 0.198 1125 A C 2.042 179.809 177.584 0.305 0.000 1.390 1125 A CA 0.799 52.960 52.037 0.207 0.000 0.915 1125 A CB 0.003 19.080 19.000 0.129 0.000 0.974 1125 A HN 0.543 nan 8.150 nan 0.000 0.477 1126 A N 0.208 123.178 122.820 0.249 0.000 2.016 1126 A HA 0.047 4.367 4.320 -0.000 0.000 0.217 1126 A C 0.344 178.197 177.584 0.448 0.000 1.162 1126 A CA 0.700 52.917 52.037 0.300 0.000 0.662 1126 A CB -0.377 18.721 19.000 0.163 0.000 0.812 1126 A HN 0.355 nan 8.150 nan 0.000 0.450 1127 D N 0.963 121.539 120.400 0.293 0.000 2.542 1127 D HA 0.030 4.669 4.640 -0.000 0.000 0.242 1127 D C 1.231 177.525 176.300 -0.010 0.000 1.207 1127 D CA 0.410 54.501 54.000 0.151 0.000 1.172 1127 D CB 0.544 41.413 40.800 0.115 0.000 1.126 1127 D HN 0.528 nan 8.370 nan 0.000 0.500 1128 Q N 1.902 121.653 119.800 -0.081 0.000 2.242 1128 Q HA -0.275 4.065 4.340 -0.000 0.000 0.211 1128 Q C 1.565 177.304 176.000 -0.435 0.000 0.992 1128 Q CA 1.714 57.163 55.803 -0.591 0.000 0.889 1128 Q CB 0.015 28.565 28.738 -0.313 0.000 0.913 1128 Q HN 0.533 nan 8.270 nan 0.000 0.422 1129 E N -1.068 119.004 120.200 -0.212 0.000 2.216 1129 E HA -0.143 4.206 4.350 -0.000 0.000 0.192 1129 E C 1.812 178.315 176.600 -0.161 0.000 0.988 1129 E CA 0.597 56.895 56.400 -0.171 0.000 0.834 1129 E CB 0.055 29.694 29.700 -0.101 0.000 0.772 1129 E HN 0.542 nan 8.360 nan 0.000 0.479 1130 Q N -0.266 119.454 119.800 -0.134 0.000 2.212 1130 Q HA -0.027 4.313 4.340 -0.000 0.000 0.199 1130 Q C 1.951 177.878 176.000 -0.122 0.000 0.950 1130 Q CA 0.758 56.493 55.803 -0.113 0.000 0.863 1130 Q CB 0.124 28.813 28.738 -0.082 0.000 0.944 1130 Q HN 0.247 nan 8.270 nan 0.000 0.465 1131 A N 1.557 124.271 122.820 -0.177 0.000 1.883 1131 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 1131 A C 2.001 179.443 177.584 -0.237 0.000 1.186 1131 A CA 1.691 53.605 52.037 -0.205 0.000 0.624 1131 A CB -0.331 18.436 19.000 -0.388 0.000 0.822 1131 A HN 0.290 nan 8.150 nan 0.000 0.444 1132 K N -0.440 119.784 120.400 -0.293 0.000 2.026 1132 K HA -0.023 4.297 4.320 -0.000 0.000 0.208 1132 K C 1.894 178.382 176.600 -0.185 0.000 1.048 1132 K CA 1.343 57.473 56.287 -0.261 0.000 0.929 1132 K CB -0.375 31.971 32.500 -0.258 0.000 0.713 1132 K HN 0.411 nan 8.250 nan 0.000 0.439 1133 L N 0.712 121.844 121.223 -0.151 0.000 2.131 1133 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 1133 L C 2.294 179.107 176.870 -0.095 0.000 1.092 1133 L CA 1.195 55.967 54.840 -0.113 0.000 0.759 1133 L CB -0.327 41.671 42.059 -0.102 0.000 0.903 1133 L HN 0.225 nan 8.230 nan 0.000 0.435 1134 I N -0.621 119.893 120.570 -0.095 0.000 2.277 1134 I HA -0.255 3.915 4.170 -0.000 0.000 0.243 1134 I C 2.788 178.859 176.117 -0.078 0.000 1.094 1134 I CA 0.822 62.080 61.300 -0.069 0.000 1.393 1134 I CB -0.345 37.626 38.000 -0.048 0.000 1.078 1134 I HN 0.204 nan 8.210 nan 0.000 0.417 1135 R N 1.118 121.550 120.500 -0.114 0.000 2.113 1135 R HA -0.265 4.075 4.340 -0.000 0.000 0.244 1135 R C 2.358 178.598 176.300 -0.099 0.000 1.142 1135 R CA 2.594 58.617 56.100 -0.130 0.000 0.953 1135 R CB -0.581 29.582 30.300 -0.228 0.000 0.860 1135 R HN 0.500 nan 8.270 nan 0.000 0.438 1136 S N 0.341 115.976 115.700 -0.108 0.000 2.355 1136 S HA -0.025 4.445 4.470 -0.000 0.000 0.222 1136 S C 2.178 176.752 174.600 -0.044 0.000 1.031 1136 S CA 0.860 59.018 58.200 -0.071 0.000 0.993 1136 S CB -0.425 62.729 63.200 -0.078 0.000 0.859 1136 S HN 0.505 nan 8.310 nan 0.000 0.453 1137 A N 0.390 123.181 122.820 -0.048 0.000 2.248 1137 A HA 0.346 4.666 4.320 -0.000 0.000 0.210 1137 A C 1.865 179.439 177.584 -0.017 0.000 1.174 1137 A CA 0.636 52.653 52.037 -0.033 0.000 0.750 1137 A CB -0.671 18.307 19.000 -0.037 0.000 0.780 1137 A HN 0.650 nan 8.150 nan 0.000 0.478 1138 I N -1.922 118.640 120.570 -0.014 0.000 3.673 1138 I HA 0.064 4.234 4.170 -0.000 0.000 0.281 1138 I C 0.858 176.992 176.117 0.029 0.000 1.182 1138 I CA -0.070 61.232 61.300 0.003 0.000 1.391 1138 I CB 0.203 38.198 38.000 -0.009 0.000 1.383 1138 I HN 0.317 nan 8.210 nan 0.000 0.456 1139 E N 2.023 122.240 120.200 0.029 0.000 2.406 1139 E HA -0.155 4.195 4.350 -0.000 0.000 0.258 1139 E C -0.140 176.509 176.600 0.082 0.000 1.043 1139 E CA -0.059 56.379 56.400 0.063 0.000 0.929 1139 E CB 0.224 29.972 29.700 0.080 0.000 0.969 1139 E HN 0.126 nan 8.360 nan 0.000 0.462 1140 H N 3.510 122.578 119.070 -0.003 0.000 3.145 1140 H HA 0.039 4.594 4.556 -0.000 0.000 0.288 1140 H C -0.993 174.328 175.328 -0.012 0.000 0.969 1140 H CA 0.693 56.734 56.048 -0.012 0.000 1.444 1140 H CB 0.408 30.161 29.762 -0.014 0.000 1.500 1140 H HN 0.257 nan 8.280 nan 0.000 0.552 1141 T N 5.899 120.242 114.554 -0.351 0.000 2.912 1141 T HA 0.238 4.588 4.350 -0.000 0.000 0.326 1141 T C -0.396 174.073 174.700 -0.385 0.000 1.080 1141 T CA -0.646 61.284 62.100 -0.284 0.000 1.000 1141 T CB 0.101 68.893 68.868 -0.126 0.000 1.008 1141 T HN 0.766 nan 8.240 nan 0.000 0.473 1142 T N 1.833 116.165 114.554 -0.370 0.000 2.918 1142 T HA 0.388 4.738 4.350 -0.000 0.000 0.283 1142 T C 1.439 176.054 174.700 -0.143 0.000 1.001 1142 T CA -0.952 60.988 62.100 -0.267 0.000 1.041 1142 T CB 0.947 69.700 68.868 -0.192 0.000 1.028 1142 T HN 0.173 nan 8.240 nan 0.000 0.511 1143 L N 0.962 122.126 121.223 -0.098 0.000 2.079 1143 L HA -0.022 4.318 4.340 -0.000 0.000 0.210 1143 L C 2.549 179.392 176.870 -0.045 0.000 1.081 1143 L CA 1.820 56.623 54.840 -0.061 0.000 0.752 1143 L CB -1.199 40.842 42.059 -0.030 0.000 0.896 1143 L HN 0.908 nan 8.230 nan 0.000 0.433 1144 K N -0.705 119.672 120.400 -0.039 0.000 2.127 1144 K HA -0.219 4.101 4.320 -0.000 0.000 0.208 1144 K C 1.932 178.512 176.600 -0.033 0.000 1.047 1144 K CA 1.886 58.157 56.287 -0.027 0.000 0.927 1144 K CB -0.150 32.337 32.500 -0.021 0.000 0.716 1144 K HN 0.619 nan 8.250 nan 0.000 0.450 1145 S N -0.992 114.678 115.700 -0.052 0.000 2.562 1145 S HA 0.001 4.471 4.470 -0.000 0.000 0.221 1145 S C 1.441 176.014 174.600 -0.044 0.000 0.975 1145 S CA 0.400 58.569 58.200 -0.051 0.000 0.918 1145 S CB 0.949 64.107 63.200 -0.070 0.000 0.772 1145 S HN 0.132 nan 8.310 nan 0.000 0.531 1146 V N 1.169 121.057 119.914 -0.042 0.000 3.451 1146 V HA 0.231 4.351 4.120 -0.000 0.000 0.288 1146 V C -0.011 176.069 176.094 -0.023 0.000 1.502 1146 V CA 0.432 62.711 62.300 -0.037 0.000 1.026 1146 V CB 0.670 32.463 31.823 -0.050 0.000 0.840 1146 V HN 0.486 nan 8.190 nan 0.000 0.437 1147 T N 1.018 115.562 114.554 -0.017 0.000 2.799 1147 T HA 0.452 4.802 4.350 -0.000 0.000 0.286 1147 T C 1.235 175.936 174.700 0.001 0.000 0.973 1147 T CA -0.214 61.885 62.100 -0.003 0.000 1.035 1147 T CB 1.891 70.761 68.868 0.002 0.000 0.932 1147 T HN 0.067 nan 8.240 nan 0.000 0.469 1148 I N 1.157 121.733 120.570 0.009 0.000 2.235 1148 I HA 0.232 4.402 4.170 -0.000 0.000 0.241 1148 I C 1.298 177.424 176.117 0.015 0.000 1.085 1148 I CA 0.473 61.780 61.300 0.011 0.000 1.378 1148 I CB -0.132 37.877 38.000 0.016 0.000 1.076 1148 I HN 0.620 nan 8.210 nan 0.000 0.415 1149 A N 0.211 123.046 122.820 0.024 0.000 2.594 1149 A HA 0.638 4.957 4.320 -0.000 0.000 0.295 1149 A C -0.573 177.032 177.584 0.036 0.000 1.071 1149 A CA -0.433 51.620 52.037 0.026 0.000 0.685 1149 A CB 1.304 20.321 19.000 0.029 0.000 1.285 1149 A HN 0.174 nan 8.150 nan 0.000 0.405 1150 S N 0.401 116.118 115.700 0.027 0.000 2.578 1150 S HA 0.876 5.346 4.470 -0.000 0.000 0.301 1150 S C -0.694 173.919 174.600 0.022 0.000 1.091 1150 S CA -0.514 57.707 58.200 0.035 0.000 1.032 1150 S CB 1.705 64.918 63.200 0.022 0.000 1.064 1150 S HN 0.692 nan 8.310 nan 0.000 0.508 1151 E N 0.693 120.917 120.200 0.040 0.000 2.321 1151 E HA 0.385 4.735 4.350 -0.000 0.000 0.281 1151 E C -1.409 175.188 176.600 -0.004 0.000 0.910 1151 E CA -0.415 55.961 56.400 -0.039 0.000 0.770 1151 E CB 2.006 31.685 29.700 -0.035 0.000 1.225 1151 E HN 0.650 nan 8.360 nan 0.000 0.417 1152 I N 3.615 124.140 120.570 -0.074 0.000 2.306 1152 I HA 0.289 4.459 4.170 -0.000 0.000 0.288 1152 I C -0.822 175.331 176.117 0.059 0.000 1.036 1152 I CA -0.542 60.793 61.300 0.059 0.000 1.221 1152 I CB 0.250 38.279 38.000 0.047 0.000 1.385 1152 I HN 0.393 nan 8.210 nan 0.000 0.472 1153 Y N 4.748 125.183 120.300 0.225 0.000 2.352 1153 Y HA 0.221 4.771 4.550 -0.000 0.000 0.326 1153 Y C -0.050 176.012 175.900 0.271 0.000 1.166 1153 Y CA -0.393 57.837 58.100 0.218 0.000 1.182 1153 Y CB 1.057 39.576 38.460 0.099 0.000 1.216 1153 Y HN 0.397 nan 8.280 nan 0.000 0.474 1154 Y N 2.645 123.035 120.300 0.150 0.000 2.504 1154 Y HA 0.253 4.803 4.550 -0.000 0.000 0.351 1154 Y C -0.830 174.970 175.900 -0.167 0.000 0.988 1154 Y CA -0.552 57.302 58.100 -0.411 0.000 1.239 1154 Y CB 0.360 38.421 38.460 -0.665 0.000 1.128 1154 Y HN 0.627 nan 8.280 nan 0.000 0.525 1155 D N 8.610 128.689 120.400 -0.534 0.000 2.363 1155 D HA 0.292 4.932 4.640 -0.000 0.000 0.258 1155 D C -2.164 173.836 176.300 -0.500 0.000 1.259 1155 D CA -1.739 52.042 54.000 -0.365 0.000 0.921 1155 D CB 1.349 42.055 40.800 -0.157 0.000 1.201 1155 D HN 0.279 nan 8.370 nan 0.000 0.524 1156 P HA 0.009 nan 4.420 nan 0.000 0.219 1156 P C 0.139 177.264 177.300 -0.292 0.000 1.154 1156 P CA 0.347 63.085 63.100 -0.603 0.000 0.826 1156 P CB 0.271 31.626 31.700 -0.575 0.000 0.795 1157 D N 1.029 121.310 120.400 -0.200 0.000 2.325 1157 D HA 0.126 4.766 4.640 -0.000 0.000 0.251 1157 D C -1.851 174.386 176.300 -0.105 0.000 1.196 1157 D CA -2.332 51.593 54.000 -0.124 0.000 0.866 1157 D CB 0.652 41.399 40.800 -0.088 0.000 1.101 1157 D HN -0.018 nan 8.370 nan 0.000 0.476 1158 P HA 0.092 nan 4.420 nan 0.000 0.252 1158 P C 0.521 177.830 177.300 0.015 0.000 1.265 1158 P CA 0.367 63.431 63.100 -0.061 0.000 0.775 1158 P CB 0.397 32.027 31.700 -0.116 0.000 1.128 1159 R N -0.777 119.722 120.500 -0.003 0.000 2.171 1159 R HA 0.177 4.517 4.340 -0.000 0.000 0.171 1159 R C 0.896 177.184 176.300 -0.021 0.000 1.662 1159 R CA 0.315 56.420 56.100 0.008 0.000 1.323 1159 R CB -0.482 29.791 30.300 -0.046 0.000 1.180 1159 R HN 0.135 nan 8.270 nan 0.000 0.474 1160 S N 0.724 116.397 115.700 -0.046 0.000 2.593 1160 S HA 0.233 4.703 4.470 -0.000 0.000 0.269 1160 S C -0.136 174.432 174.600 -0.052 0.000 1.334 1160 S CA -0.054 58.117 58.200 -0.047 0.000 1.015 1160 S CB 1.675 64.845 63.200 -0.049 0.000 0.912 1160 S HN 0.181 nan 8.310 nan 0.000 0.541 1161 T N 1.110 115.632 114.554 -0.054 0.000 2.956 1161 T HA 0.341 4.691 4.350 -0.000 0.000 0.312 1161 T C 0.639 175.294 174.700 -0.075 0.000 1.151 1161 T CA -0.735 61.321 62.100 -0.073 0.000 1.024 1161 T CB 1.585 70.409 68.868 -0.074 0.000 1.140 1161 T HN 0.521 nan 8.240 nan 0.000 0.473 1162 V N 2.421 122.284 119.914 -0.085 0.000 3.510 1162 V HA 0.186 4.305 4.120 -0.000 0.000 0.270 1162 V C 0.522 176.555 176.094 -0.102 0.000 1.201 1162 V CA 0.811 63.073 62.300 -0.063 0.000 1.166 1162 V CB -1.163 30.651 31.823 -0.016 0.000 0.825 1162 V HN 0.629 nan 8.190 nan 0.000 0.484 1163 I N 1.898 122.374 120.570 -0.156 0.000 2.355 1163 I HA 0.289 4.459 4.170 -0.000 0.000 0.288 1163 I C -1.112 174.945 176.117 -0.100 0.000 0.999 1163 I CA -2.038 59.153 61.300 -0.182 0.000 1.163 1163 I CB 1.904 39.710 38.000 -0.323 0.000 1.316 1163 I HN -0.046 nan 8.210 nan 0.000 0.454 1164 P HA -0.211 nan 4.420 nan 0.000 0.212 1164 P C 0.759 178.041 177.300 -0.030 0.000 1.178 1164 P CA 1.602 64.680 63.100 -0.036 0.000 0.915 1164 P CB 0.095 31.783 31.700 -0.020 0.000 0.788 1165 E N -0.509 119.675 120.200 -0.027 0.000 2.526 1165 E HA -0.137 4.213 4.350 -0.000 0.000 0.205 1165 E C 0.507 177.101 176.600 -0.010 0.000 1.104 1165 E CA 0.586 56.979 56.400 -0.012 0.000 0.899 1165 E CB -0.557 29.141 29.700 -0.004 0.000 0.838 1165 E HN 0.344 nan 8.360 nan 0.000 0.564 1166 D N -0.419 119.966 120.400 -0.025 0.000 2.514 1166 D HA 0.024 4.664 4.640 -0.000 0.000 0.225 1166 D C 1.130 177.428 176.300 -0.003 0.000 1.159 1166 D CA -0.006 53.984 54.000 -0.016 0.000 0.823 1166 D CB 0.336 41.109 40.800 -0.046 0.000 1.097 1166 D HN 0.149 nan 8.370 nan 0.000 0.519 1167 E N 1.082 121.276 120.200 -0.010 0.000 2.051 1167 E HA -0.179 4.170 4.350 -0.000 0.000 0.192 1167 E C 1.577 178.186 176.600 0.015 0.000 0.991 1167 E CA 0.768 57.166 56.400 -0.004 0.000 0.799 1167 E CB 0.126 29.817 29.700 -0.015 0.000 0.748 1167 E HN 0.314 nan 8.360 nan 0.000 0.449 1168 E N 0.745 120.954 120.200 0.015 0.000 2.160 1168 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 1168 E C 2.185 178.814 176.600 0.049 0.000 0.991 1168 E CA 0.781 57.195 56.400 0.024 0.000 0.810 1168 E CB -0.075 29.635 29.700 0.018 0.000 0.742 1168 E HN 0.332 nan 8.360 nan 0.000 0.466 1169 I N -0.839 119.769 120.570 0.063 0.000 2.716 1169 I HA -0.110 4.060 4.170 -0.000 0.000 0.259 1169 I C 1.748 177.970 176.117 0.176 0.000 1.172 1169 I CA 0.749 62.117 61.300 0.115 0.000 1.478 1169 I CB 0.084 38.139 38.000 0.092 0.000 1.104 1169 I HN 0.048 nan 8.210 nan 0.000 0.439 1170 I N 0.689 121.336 120.570 0.128 0.000 2.480 1170 I HA -0.150 4.020 4.170 -0.000 0.000 0.251 1170 I C 2.460 178.736 176.117 0.264 0.000 1.124 1170 I CA 0.682 62.094 61.300 0.186 0.000 1.444 1170 I CB -0.450 37.636 38.000 0.144 0.000 1.098 1170 I HN 0.278 nan 8.210 nan 0.000 0.428 1171 Q N 1.095 120.986 119.800 0.152 0.000 2.077 1171 Q HA -0.188 4.151 4.340 -0.000 0.000 0.206 1171 Q C 2.313 178.394 176.000 0.135 0.000 0.989 1171 Q CA 1.558 57.430 55.803 0.115 0.000 0.853 1171 Q CB -0.192 28.568 28.738 0.037 0.000 0.907 1171 Q HN 0.502 nan 8.270 nan 0.000 0.418 1172 L N -0.019 121.252 121.223 0.080 0.000 2.362 1172 L HA -0.125 4.215 4.340 -0.000 0.000 0.219 1172 L C 0.964 177.730 176.870 -0.173 0.000 1.134 1172 L CA 0.524 55.342 54.840 -0.037 0.000 0.807 1172 L CB -0.197 41.817 42.059 -0.076 0.000 0.927 1172 L HN 0.331 nan 8.230 nan 0.000 0.447 1173 H N -1.199 117.879 119.070 0.014 0.000 2.499 1173 H HA 0.192 4.748 4.556 -0.000 0.000 0.262 1173 H C -0.558 174.707 175.328 -0.104 0.000 1.363 1173 H CA 0.028 56.026 56.048 -0.082 0.000 1.072 1173 H CB 0.128 29.791 29.762 -0.165 0.000 1.602 1173 H HN 0.171 nan 8.280 nan 0.000 0.526 1174 F N 0.841 120.790 119.950 -0.002 0.000 2.548 1174 F HA 0.073 4.600 4.527 -0.000 0.000 0.379 1174 F C -0.161 175.622 175.800 -0.028 0.000 1.380 1174 F CA -0.404 57.594 58.000 -0.003 0.000 1.095 1174 F CB 0.796 39.797 39.000 0.002 0.000 1.270 1174 F HN 0.053 nan 8.300 nan 0.000 0.509 1175 S N -0.628 115.105 115.700 0.055 0.000 2.550 1175 S HA 0.607 5.077 4.470 -0.000 0.000 0.270 1175 S C -0.736 173.848 174.600 -0.025 0.000 1.145 1175 S CA -0.906 57.307 58.200 0.021 0.000 0.852 1175 S CB 1.925 65.131 63.200 0.010 0.000 1.119 1175 S HN 0.211 nan 8.310 nan 0.000 0.465 1188 Q N 1.856 121.586 119.800 -0.117 0.000 2.315 1188 Q HA 0.311 4.651 4.340 -0.000 0.000 0.289 1188 Q C -0.384 175.581 176.000 -0.059 0.000 1.044 1188 Q CA 0.433 56.164 55.803 -0.121 0.000 0.920 1188 Q CB 0.794 29.372 28.738 -0.267 0.000 1.214 1188 Q HN 0.489 nan 8.270 nan 0.000 0.392 1189 S N 2.087 117.787 115.700 -0.000 0.000 2.617 1189 S HA 0.260 4.729 4.470 -0.000 0.000 0.269 1189 S C -1.745 172.825 174.600 -0.050 0.000 1.292 1189 S CA -1.295 56.930 58.200 0.042 0.000 1.010 1189 S CB 0.982 64.283 63.200 0.168 0.000 0.944 1189 S HN 0.491 nan 8.310 nan 0.000 0.536 1190 P HA 0.069 nan 4.420 nan 0.000 0.237 1190 P C -0.578 176.361 177.300 -0.601 0.000 1.178 1190 P CA 0.341 63.143 63.100 -0.496 0.000 0.766 1190 P CB -0.067 31.189 31.700 -0.740 0.000 0.876 1191 W N 1.048 122.298 121.300 -0.084 0.000 2.322 1191 W HA 0.455 5.114 4.660 -0.000 0.000 0.307 1191 W C 0.168 176.695 176.519 0.013 0.000 1.220 1191 W CA -0.724 56.623 57.345 0.003 0.000 1.210 1191 W CB 0.728 30.222 29.460 0.057 0.000 1.223 1191 W HN -0.170 nan 8.180 nan 0.000 0.511 1192 L N 5.680 127.081 121.223 0.297 0.000 2.356 1192 L HA 0.550 4.889 4.340 -0.000 0.000 0.277 1192 L C -1.275 175.738 176.870 0.238 0.000 0.996 1192 L CA -0.966 54.000 54.840 0.209 0.000 0.822 1192 L CB 0.958 43.106 42.059 0.148 0.000 1.256 1192 L HN 0.321 nan 8.230 nan 0.000 0.413 1193 L N 5.872 127.194 121.223 0.166 0.000 2.259 1193 L HA 0.506 4.846 4.340 -0.000 0.000 0.288 1193 L C -0.471 176.480 176.870 0.136 0.000 1.051 1193 L CA 0.107 55.026 54.840 0.131 0.000 0.824 1193 L CB 0.462 42.559 42.059 0.064 0.000 1.206 1193 L HN 0.734 nan 8.230 nan 0.000 0.429 1194 R N 6.260 126.868 120.500 0.180 0.000 2.288 1194 R HA 0.508 4.847 4.340 -0.000 0.000 0.326 1194 R C -1.685 174.697 176.300 0.137 0.000 0.959 1194 R CA -0.621 55.581 56.100 0.169 0.000 0.834 1194 R CB 0.650 31.095 30.300 0.242 0.000 1.157 1194 R HN 0.706 nan 8.270 nan 0.000 0.470 1195 L N 3.781 125.064 121.223 0.099 0.000 2.282 1195 L HA 0.385 4.724 4.340 -0.000 0.000 0.288 1195 L C 0.255 177.168 176.870 0.071 0.000 1.033 1195 L CA -0.401 54.484 54.840 0.076 0.000 0.807 1195 L CB 1.633 43.727 42.059 0.058 0.000 1.209 1195 L HN 0.564 nan 8.230 nan 0.000 0.423 1196 E N 4.959 125.198 120.200 0.064 0.000 2.081 1196 E HA 0.393 4.743 4.350 -0.000 0.000 0.281 1196 E C -1.136 175.486 176.600 0.036 0.000 0.986 1196 E CA -0.552 55.880 56.400 0.055 0.000 0.796 1196 E CB 0.925 30.661 29.700 0.060 0.000 1.085 1196 E HN 0.525 nan 8.360 nan 0.000 0.398 1197 L N 3.260 124.500 121.223 0.030 0.000 2.379 1197 L HA 0.315 4.654 4.340 -0.000 0.000 0.269 1197 L C 0.089 176.965 176.870 0.010 0.000 1.084 1197 L CA -0.805 54.042 54.840 0.013 0.000 0.802 1197 L CB 1.104 43.164 42.059 0.002 0.000 1.175 1197 L HN 0.563 nan 8.230 nan 0.000 0.448 1198 D N 0.702 121.103 120.400 0.001 0.000 2.373 1198 D HA 0.210 4.850 4.640 -0.000 0.000 0.227 1198 D C 1.053 177.350 176.300 -0.004 0.000 1.091 1198 D CA -0.325 53.675 54.000 0.000 0.000 0.840 1198 D CB 1.017 41.815 40.800 -0.003 0.000 1.060 1198 D HN 0.322 nan 8.370 nan 0.000 0.502 1199 R N 2.892 123.392 120.500 0.000 0.000 2.112 1199 R HA -0.247 4.092 4.340 -0.000 0.000 0.242 1199 R C 2.007 178.304 176.300 -0.006 0.000 1.137 1199 R CA 1.898 57.997 56.100 -0.002 0.000 0.944 1199 R CB -0.357 29.945 30.300 0.003 0.000 0.857 1199 R HN 0.615 nan 8.270 nan 0.000 0.435 1200 A N 0.925 123.743 122.820 -0.004 0.000 1.891 1200 A HA -0.328 3.992 4.320 -0.000 0.000 0.221 1200 A C 2.299 179.879 177.584 -0.007 0.000 1.394 1200 A CA 2.575 54.609 52.037 -0.005 0.000 0.730 1200 A CB -1.424 17.573 19.000 -0.005 0.000 0.845 1200 A HN 0.521 nan 8.150 nan 0.000 0.471 1201 A N -2.592 120.222 122.820 -0.011 0.000 2.121 1201 A HA 0.022 4.342 4.320 -0.000 0.000 0.218 1201 A C 2.096 179.669 177.584 -0.019 0.000 1.154 1201 A CA 1.764 53.792 52.037 -0.014 0.000 0.679 1201 A CB -0.434 18.553 19.000 -0.022 0.000 0.795 1201 A HN 0.527 nan 8.150 nan 0.000 0.458 1202 M N 0.861 120.449 119.600 -0.020 0.000 2.123 1202 M HA -0.127 4.353 4.480 -0.000 0.000 0.263 1202 M C 1.749 178.033 176.300 -0.027 0.000 1.069 1202 M CA 2.012 57.296 55.300 -0.027 0.000 1.133 1202 M CB -1.064 31.522 32.600 -0.023 0.000 1.356 1202 M HN 0.741 nan 8.290 nan 0.000 0.415 1203 N N -0.727 117.961 118.700 -0.020 0.000 2.415 1203 N HA -0.124 4.615 4.740 -0.000 0.000 0.176 1203 N C 1.264 176.760 175.510 -0.022 0.000 1.042 1203 N CA 0.963 54.000 53.050 -0.022 0.000 0.902 1203 N CB -0.833 37.644 38.487 -0.016 0.000 0.986 1203 N HN 0.332 nan 8.380 nan 0.000 0.447 1204 D N 1.117 121.509 120.400 -0.014 0.000 2.123 1204 D HA -0.186 4.454 4.640 -0.000 0.000 0.196 1204 D C 0.507 176.802 176.300 -0.008 0.000 0.992 1204 D CA 1.072 55.070 54.000 -0.004 0.000 0.833 1204 D CB 0.012 40.822 40.800 0.017 0.000 0.954 1204 D HN 0.275 nan 8.370 nan 0.000 0.455 1205 K N 0.741 121.134 120.400 -0.012 0.000 2.504 1205 K HA 0.023 4.343 4.320 -0.000 0.000 0.199 1205 K C -0.341 176.235 176.600 -0.040 0.000 1.028 1205 K CA -0.002 56.273 56.287 -0.020 0.000 1.164 1205 K CB 0.299 32.786 32.500 -0.022 0.000 0.877 1205 K HN 0.074 nan 8.250 nan 0.000 0.508 1206 D N 1.177 121.552 120.400 -0.042 0.000 2.737 1206 D HA -0.215 4.424 4.640 -0.000 0.000 0.238 1206 D C -0.839 175.432 176.300 -0.049 0.000 1.157 1206 D CA 0.960 54.932 54.000 -0.047 0.000 0.694 1206 D CB -0.780 39.987 40.800 -0.054 0.000 1.021 1206 D HN 0.278 nan 8.370 nan 0.000 0.420 1207 L N 0.377 121.571 121.223 -0.049 0.000 2.362 1207 L HA 0.342 4.682 4.340 -0.000 0.000 0.271 1207 L C 0.649 177.481 176.870 -0.063 0.000 1.002 1207 L CA -0.516 54.287 54.840 -0.063 0.000 0.818 1207 L CB 2.088 44.103 42.059 -0.073 0.000 1.298 1207 L HN -0.131 nan 8.230 nan 0.000 0.420 1208 T N 2.497 117.004 114.554 -0.079 0.000 2.909 1208 T HA 0.207 4.556 4.350 -0.000 0.000 0.286 1208 T C 1.204 175.821 174.700 -0.138 0.000 1.002 1208 T CA -0.727 61.327 62.100 -0.078 0.000 1.074 1208 T CB 1.580 70.408 68.868 -0.067 0.000 0.984 1208 T HN 0.434 nan 8.240 nan 0.000 0.495 1209 M N 2.093 121.625 119.600 -0.112 0.000 2.080 1209 M HA -0.046 4.434 4.480 -0.000 0.000 0.260 1209 M C 2.623 178.572 176.300 -0.586 0.000 1.068 1209 M CA 1.780 56.947 55.300 -0.222 0.000 1.109 1209 M CB -1.860 30.753 32.600 0.022 0.000 1.342 1209 M HN 0.907 nan 8.290 nan 0.000 0.405 1210 G N -0.521 108.108 108.800 -0.285 0.000 2.476 1210 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.218 1210 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.218 1210 G C 1.532 176.155 174.900 -0.463 0.000 1.164 1210 G CA 0.886 45.822 45.100 -0.272 0.000 0.768 1210 G HN 0.549 nan 8.290 nan 0.000 0.560 1211 Q N -0.387 119.239 119.800 -0.290 0.000 2.016 1211 Q HA -0.055 4.285 4.340 -0.000 0.000 0.200 1211 Q C 2.941 178.756 176.000 -0.308 0.000 0.978 1211 Q CA 1.445 57.106 55.803 -0.237 0.000 0.833 1211 Q CB -0.337 28.314 28.738 -0.146 0.000 0.895 1211 Q HN 0.368 nan 8.270 nan 0.000 0.427 1212 V N 0.782 120.497 119.914 -0.332 0.000 2.252 1212 V HA -0.287 3.833 4.120 -0.000 0.000 0.249 1212 V C 2.195 178.028 176.094 -0.434 0.000 1.056 1212 V CA 2.099 64.212 62.300 -0.312 0.000 1.022 1212 V CB -1.445 30.222 31.823 -0.259 0.000 0.641 1212 V HN 0.575 nan 8.190 nan 0.000 0.445 1213 G N -0.595 107.709 108.800 -0.827 0.000 2.639 1213 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.216 1213 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.216 1213 G C 1.372 175.840 174.900 -0.719 0.000 1.267 1213 G CA 0.981 45.354 45.100 -1.212 0.000 0.801 1213 G HN 0.538 nan 8.290 nan 0.000 0.592 1214 E N -0.311 119.472 120.200 -0.696 0.000 2.510 1214 E HA -0.051 4.299 4.350 -0.000 0.000 0.202 1214 E C 2.373 178.895 176.600 -0.131 0.000 1.072 1214 E CA 0.239 56.533 56.400 -0.176 0.000 0.883 1214 E CB 0.094 29.776 29.700 -0.029 0.000 0.818 1214 E HN 0.262 nan 8.360 nan 0.000 0.548 1215 R N 0.485 120.869 120.500 -0.193 0.000 2.052 1215 R HA -0.006 4.334 4.340 -0.000 0.000 0.226 1215 R C 1.816 178.040 176.300 -0.127 0.000 1.145 1215 R CA 1.268 57.281 56.100 -0.145 0.000 0.952 1215 R CB -0.410 29.796 30.300 -0.158 0.000 0.847 1215 R HN 0.121 nan 8.270 nan 0.000 0.431 1216 I N 1.024 121.529 120.570 -0.108 0.000 2.248 1216 I HA -0.294 3.875 4.170 -0.000 0.000 0.248 1216 I C 2.419 178.579 176.117 0.072 0.000 1.107 1216 I CA 1.489 62.781 61.300 -0.013 0.000 1.373 1216 I CB -0.328 37.728 38.000 0.094 0.000 1.055 1216 I HN 0.213 nan 8.210 nan 0.000 0.418 1217 K N 1.133 121.568 120.400 0.058 0.000 2.288 1217 K HA -0.173 4.146 4.320 -0.000 0.000 0.201 1217 K C 1.900 178.535 176.600 0.057 0.000 1.048 1217 K CA 1.156 57.505 56.287 0.103 0.000 0.956 1217 K CB 0.108 32.693 32.500 0.143 0.000 0.746 1217 K HN 0.552 nan 8.250 nan 0.000 0.461 1218 Q N -1.300 118.496 119.800 -0.008 0.000 2.282 1218 Q HA 0.068 4.408 4.340 -0.000 0.000 0.206 1218 Q C 0.541 176.488 176.000 -0.088 0.000 0.878 1218 Q CA 0.299 56.084 55.803 -0.028 0.000 0.944 1218 Q CB 0.662 29.380 28.738 -0.032 0.000 1.100 1218 Q HN -0.015 nan 8.270 nan 0.000 0.509 1219 T N -0.093 114.354 114.554 -0.179 0.000 3.010 1219 T HA 0.158 4.508 4.350 -0.000 0.000 0.252 1219 T C 0.343 174.783 174.700 -0.435 0.000 1.047 1219 T CA 0.404 62.272 62.100 -0.386 0.000 1.140 1219 T CB -0.014 68.458 68.868 -0.660 0.000 0.885 1219 T HN 0.275 nan 8.240 nan 0.000 0.464 1220 F N 2.040 121.998 119.950 0.014 0.000 2.925 1220 F HA 0.414 4.941 4.527 -0.000 0.000 0.302 1220 F C 0.957 176.775 175.800 0.030 0.000 1.189 1220 F CA -1.087 56.927 58.000 0.024 0.000 1.346 1220 F CB -0.340 38.678 39.000 0.029 0.000 0.954 1220 F HN -0.046 nan 8.300 nan 0.000 0.506 1221 K N 0.277 120.756 120.400 0.131 0.000 1.783 1221 K HA -0.353 3.966 4.320 -0.000 0.000 0.115 1221 K C 0.799 177.470 176.600 0.118 0.000 1.071 1221 K CA 2.176 58.522 56.287 0.099 0.000 0.377 1221 K CB -0.764 31.788 32.500 0.086 0.000 0.613 1221 K HN 0.282 nan 8.250 nan 0.000 0.922 1222 N N 0.751 119.517 118.700 0.111 0.000 2.368 1222 N HA -0.004 4.736 4.740 -0.000 0.000 0.178 1222 N C 0.345 175.931 175.510 0.127 0.000 1.076 1222 N CA 0.614 53.733 53.050 0.115 0.000 0.889 1222 N CB 0.018 38.559 38.487 0.091 0.000 1.040 1222 N HN 0.305 nan 8.380 nan 0.000 0.463 1223 D N 0.916 121.391 120.400 0.126 0.000 2.434 1223 D HA -0.049 4.591 4.640 -0.000 0.000 0.228 1223 D C -0.343 176.006 176.300 0.082 0.000 0.995 1223 D CA 0.773 54.836 54.000 0.105 0.000 0.976 1223 D CB -0.053 40.818 40.800 0.118 0.000 0.867 1223 D HN 0.163 nan 8.370 nan 0.000 0.519 1224 L N -0.365 120.930 121.223 0.119 0.000 2.588 1224 L HA 0.304 4.644 4.340 -0.000 0.000 0.263 1224 L C -1.657 175.311 176.870 0.163 0.000 0.935 1224 L CA -0.902 53.993 54.840 0.093 0.000 0.891 1224 L CB 1.531 43.597 42.059 0.013 0.000 1.318 1224 L HN -0.220 nan 8.230 nan 0.000 0.409 1225 F N 6.048 126.014 119.950 0.025 0.000 2.413 1225 F HA 0.659 5.186 4.527 -0.000 0.000 0.359 1225 F C -0.659 175.161 175.800 0.032 0.000 1.122 1225 F CA -0.304 57.708 58.000 0.021 0.000 1.160 1225 F CB 0.664 39.661 39.000 -0.006 0.000 1.146 1225 F HN 0.177 nan 8.300 nan 0.000 0.514 1226 V N 7.585 127.193 119.914 -0.510 0.000 2.630 1226 V HA 0.581 4.701 4.120 -0.000 0.000 0.305 1226 V C -0.018 175.727 176.094 -0.583 0.000 1.046 1226 V CA -0.957 61.161 62.300 -0.302 0.000 0.934 1226 V CB 1.858 33.718 31.823 0.063 0.000 1.003 1226 V HN 0.687 nan 8.190 nan 0.000 0.451 1227 I N 2.927 123.295 120.570 -0.337 0.000 2.785 1227 I HA 0.475 4.644 4.170 -0.000 0.000 0.293 1227 I C -1.836 174.158 176.117 -0.205 0.000 1.446 1227 I CA -0.383 60.548 61.300 -0.616 0.000 1.028 1227 I CB 2.498 40.133 38.000 -0.608 0.000 1.349 1227 I HN 0.965 nan 8.210 nan 0.000 0.438 1228 W N 4.167 125.284 121.300 -0.305 0.000 3.107 1228 W HA 0.709 5.369 4.660 -0.000 0.000 0.331 1228 W C -0.593 175.932 176.519 0.010 0.000 1.204 1228 W CA -1.125 56.155 57.345 -0.109 0.000 1.184 1228 W CB 0.449 29.875 29.460 -0.055 0.000 1.421 1228 W HN 0.517 nan 8.180 nan 0.000 0.544 1229 S N 0.666 116.519 115.700 0.254 0.000 2.573 1229 S HA 0.237 4.707 4.470 -0.000 0.000 0.277 1229 S C 0.012 174.804 174.600 0.320 0.000 1.346 1229 S CA -0.245 58.084 58.200 0.214 0.000 1.034 1229 S CB 1.086 64.371 63.200 0.142 0.000 0.879 1229 S HN 0.658 nan 8.310 nan 0.000 0.528 1230 E N 0.670 121.004 120.200 0.223 0.000 2.359 1230 E HA 0.170 4.520 4.350 -0.000 0.000 0.255 1230 E C 0.047 176.734 176.600 0.144 0.000 1.191 1230 E CA -0.422 56.107 56.400 0.214 0.000 0.952 1230 E CB 0.406 30.177 29.700 0.119 0.000 1.152 1230 E HN 0.768 nan 8.360 nan 0.000 0.496 1231 D N -0.137 120.332 120.400 0.115 0.000 2.363 1231 D HA -0.063 4.577 4.640 -0.000 0.000 0.220 1231 D C 0.947 177.277 176.300 0.050 0.000 0.994 1231 D CA 0.338 54.382 54.000 0.074 0.000 0.890 1231 D CB 0.173 41.007 40.800 0.057 0.000 0.906 1231 D HN 0.177 nan 8.370 nan 0.000 0.530 1232 N N 0.560 119.289 118.700 0.048 0.000 2.251 1232 N HA -0.052 4.688 4.740 -0.000 0.000 0.181 1232 N C -0.363 175.167 175.510 0.034 0.000 1.019 1232 N CA 0.554 53.624 53.050 0.033 0.000 0.862 1232 N CB -0.044 38.458 38.487 0.025 0.000 0.992 1232 N HN 0.124 nan 8.380 nan 0.000 0.429 1233 D N 1.161 121.588 120.400 0.044 0.000 2.533 1233 D HA -0.069 4.571 4.640 -0.000 0.000 0.236 1233 D C 1.431 177.754 176.300 0.037 0.000 1.137 1233 D CA 0.256 54.281 54.000 0.042 0.000 0.867 1233 D CB 0.502 41.335 40.800 0.055 0.000 1.170 1233 D HN 0.364 nan 8.370 nan 0.000 0.474 1234 E N 2.134 122.351 120.200 0.029 0.000 2.160 1234 E HA -0.198 4.152 4.350 -0.000 0.000 0.195 1234 E C -0.070 176.546 176.600 0.028 0.000 0.991 1234 E CA 0.928 57.342 56.400 0.025 0.000 0.810 1234 E CB 0.076 29.788 29.700 0.020 0.000 0.742 1234 E HN 0.326 nan 8.360 nan 0.000 0.466 1235 K N 1.084 121.504 120.400 0.033 0.000 2.274 1235 K HA 0.403 4.723 4.320 -0.000 0.000 0.262 1235 K C -0.819 175.810 176.600 0.049 0.000 0.961 1235 K CA -0.547 55.762 56.287 0.036 0.000 0.833 1235 K CB 1.929 34.450 32.500 0.034 0.000 1.102 1235 K HN 0.007 nan 8.250 nan 0.000 0.436 1236 L N 4.752 126.004 121.223 0.048 0.000 2.275 1236 L HA 0.495 4.835 4.340 -0.000 0.000 0.288 1236 L C -0.328 176.583 176.870 0.068 0.000 1.046 1236 L CA -0.477 54.400 54.840 0.062 0.000 0.805 1236 L CB 0.524 42.609 42.059 0.043 0.000 1.193 1236 L HN 0.461 nan 8.230 nan 0.000 0.426 1237 I N 4.188 124.816 120.570 0.097 0.000 2.571 1237 I HA 0.369 4.538 4.170 -0.000 0.000 0.289 1237 I C -0.785 175.413 176.117 0.135 0.000 1.115 1237 I CA -0.082 61.275 61.300 0.095 0.000 1.045 1237 I CB 2.321 40.365 38.000 0.074 0.000 1.238 1237 I HN 0.406 nan 8.210 nan 0.000 0.424 1238 I N 6.252 126.891 120.570 0.116 0.000 2.339 1238 I HA 0.490 4.660 4.170 -0.000 0.000 0.290 1238 I C -0.218 175.958 176.117 0.098 0.000 0.994 1238 I CA -0.479 60.904 61.300 0.138 0.000 1.191 1238 I CB 0.987 39.050 38.000 0.106 0.000 1.343 1238 I HN 0.352 nan 8.210 nan 0.000 0.458 1239 R N 5.422 125.967 120.500 0.075 0.000 2.387 1239 R HA 0.761 5.101 4.340 -0.000 0.000 0.314 1239 R C -1.403 174.931 176.300 0.056 0.000 0.958 1239 R CA -0.543 55.593 56.100 0.061 0.000 0.846 1239 R CB 1.613 31.934 30.300 0.034 0.000 1.147 1239 R HN 0.647 nan 8.270 nan 0.000 0.447 1240 C N 1.980 121.332 119.300 0.086 0.000 2.686 1240 C HA 0.597 5.057 4.460 -0.000 0.000 0.318 1240 C C -0.263 174.800 174.990 0.122 0.000 1.160 1240 C CA -1.236 57.834 59.018 0.086 0.000 1.396 1240 C CB 1.687 29.456 27.740 0.049 0.000 1.924 1240 C HN 0.829 nan 8.230 nan 0.000 0.471 1241 R N 1.034 121.638 120.500 0.173 0.000 2.807 1241 R HA 0.761 5.100 4.340 -0.000 0.000 0.276 1241 R C -0.952 175.417 176.300 0.115 0.000 0.979 1241 R CA -0.661 55.534 56.100 0.157 0.000 0.928 1241 R CB 1.960 32.366 30.300 0.176 0.000 1.191 1241 R HN 0.617 nan 8.270 nan 0.000 0.471 1242 V N 1.706 121.671 119.914 0.085 0.000 2.811 1242 V HA 0.306 4.426 4.120 -0.000 0.000 0.302 1242 V C 0.423 176.558 176.094 0.069 0.000 1.063 1242 V CA -0.166 62.167 62.300 0.054 0.000 1.088 1242 V CB 1.008 32.862 31.823 0.051 0.000 0.982 1242 V HN 0.563 nan 8.190 nan 0.000 0.485 1255 E N 0.321 120.536 120.200 0.024 0.000 2.440 1255 E HA -0.231 4.119 4.350 -0.000 0.000 0.246 1255 E C 0.702 177.283 176.600 -0.031 0.000 1.165 1255 E CA 1.181 57.574 56.400 -0.013 0.000 0.726 1255 E CB -0.848 28.842 29.700 -0.016 0.000 1.271 1255 E HN 0.821 nan 8.360 nan 0.000 0.397 1256 E N -0.180 119.972 120.200 -0.081 0.000 2.030 1256 E HA -0.097 4.253 4.350 -0.000 0.000 0.189 1256 E C 1.278 177.698 176.600 -0.301 0.000 0.974 1256 E CA 0.814 57.136 56.400 -0.130 0.000 0.807 1256 E CB -0.203 29.501 29.700 0.007 0.000 0.771 1256 E HN 0.418 nan 8.360 nan 0.000 0.451 1257 D N 0.575 120.594 120.400 -0.636 0.000 2.322 1257 D HA -0.210 4.430 4.640 -0.000 0.000 0.210 1257 D C 1.648 177.758 176.300 -0.318 0.000 0.983 1257 D CA 1.080 54.696 54.000 -0.640 0.000 0.902 1257 D CB -0.195 40.133 40.800 -0.787 0.000 0.905 1257 D HN 0.269 nan 8.370 nan 0.000 0.483 1258 H N -0.170 118.759 119.070 -0.235 0.000 2.439 1258 H HA 0.234 4.790 4.556 -0.000 0.000 0.299 1258 H C 2.164 177.427 175.328 -0.108 0.000 1.033 1258 H CA 0.124 56.084 56.048 -0.146 0.000 1.348 1258 H CB 0.287 29.980 29.762 -0.114 0.000 1.449 1258 H HN 0.051 nan 8.280 nan 0.000 0.544 1259 M N 0.013 119.636 119.600 0.038 0.000 2.279 1259 M HA -0.160 4.320 4.480 -0.000 0.000 0.264 1259 M C 2.065 178.336 176.300 -0.048 0.000 1.062 1259 M CA 0.909 56.210 55.300 0.002 0.000 1.099 1259 M CB 0.019 32.613 32.600 -0.010 0.000 1.394 1259 M HN 0.104 nan 8.290 nan 0.000 0.426 1260 L N 0.422 121.597 121.223 -0.080 0.000 2.023 1260 L HA -0.107 4.233 4.340 -0.000 0.000 0.205 1260 L C 2.081 178.893 176.870 -0.097 0.000 1.073 1260 L CA 1.886 56.672 54.840 -0.090 0.000 0.745 1260 L CB -0.568 41.448 42.059 -0.072 0.000 0.900 1260 L HN 0.131 nan 8.230 nan 0.000 0.435 1261 K N -0.722 119.598 120.400 -0.134 0.000 2.281 1261 K HA -0.196 4.124 4.320 -0.000 0.000 0.203 1261 K C 1.933 178.482 176.600 -0.084 0.000 1.046 1261 K CA 1.116 57.322 56.287 -0.136 0.000 0.938 1261 K CB 0.006 32.364 32.500 -0.237 0.000 0.737 1261 K HN 0.330 nan 8.250 nan 0.000 0.458 1262 K N 0.571 120.937 120.400 -0.057 0.000 2.021 1262 K HA -0.015 4.304 4.320 -0.000 0.000 0.205 1262 K C 2.043 178.638 176.600 -0.008 0.000 1.047 1262 K CA 0.988 57.270 56.287 -0.009 0.000 0.943 1262 K CB -0.059 32.454 32.500 0.022 0.000 0.725 1262 K HN 0.011 nan 8.250 nan 0.000 0.439 1263 I N 1.794 122.326 120.570 -0.063 0.000 2.226 1263 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 1263 I C 2.522 178.605 176.117 -0.056 0.000 1.100 1263 I CA 1.444 62.657 61.300 -0.144 0.000 1.374 1263 I CB -0.260 37.522 38.000 -0.363 0.000 1.057 1263 I HN 0.263 nan 8.210 nan 0.000 0.413 1264 E N 1.115 121.287 120.200 -0.046 0.000 2.118 1264 E HA -0.291 4.059 4.350 -0.000 0.000 0.195 1264 E C 1.912 178.531 176.600 0.031 0.000 0.992 1264 E CA 1.833 58.231 56.400 -0.004 0.000 0.804 1264 E CB -0.422 29.266 29.700 -0.020 0.000 0.741 1264 E HN 0.411 nan 8.360 nan 0.000 0.458 1265 N N -0.410 118.307 118.700 0.027 0.000 2.207 1265 N HA -0.067 4.673 4.740 -0.000 0.000 0.182 1265 N C 1.349 176.907 175.510 0.079 0.000 1.020 1265 N CA 1.823 54.897 53.050 0.040 0.000 0.858 1265 N CB -0.166 38.334 38.487 0.023 0.000 0.991 1265 N HN 0.303 nan 8.380 nan 0.000 0.427 1266 T N 1.106 115.733 114.554 0.122 0.000 2.869 1266 T HA -0.106 4.244 4.350 -0.000 0.000 0.270 1266 T C 1.959 176.806 174.700 0.246 0.000 1.082 1266 T CA 0.995 63.216 62.100 0.201 0.000 1.123 1266 T CB 0.088 69.150 68.868 0.322 0.000 0.856 1266 T HN 0.268 nan 8.240 nan 0.000 0.499 1267 M N 0.035 119.782 119.600 0.246 0.000 2.240 1267 M HA 0.179 4.659 4.480 -0.000 0.000 0.257 1267 M C 2.224 178.574 176.300 0.084 0.000 1.107 1267 M CA 1.208 56.627 55.300 0.198 0.000 1.169 1267 M CB -0.346 32.375 32.600 0.203 0.000 1.307 1267 M HN 0.138 nan 8.290 nan 0.000 0.447 1268 L N -0.136 121.125 121.223 0.063 0.000 2.079 1268 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 1268 L C 2.303 179.184 176.870 0.019 0.000 1.081 1268 L CA 1.382 56.239 54.840 0.028 0.000 0.752 1268 L CB -0.626 41.446 42.059 0.021 0.000 0.896 1268 L HN 0.407 nan 8.230 nan 0.000 0.433 1269 E N -0.422 119.798 120.200 0.034 0.000 2.038 1269 E HA -0.082 4.268 4.350 -0.000 0.000 0.190 1269 E C 1.904 178.527 176.600 0.039 0.000 0.967 1269 E CA 0.524 56.944 56.400 0.033 0.000 0.816 1269 E CB 0.008 29.730 29.700 0.037 0.000 0.784 1269 E HN 0.423 nan 8.360 nan 0.000 0.456 1270 N N 0.970 119.696 118.700 0.043 0.000 2.171 1270 N HA -0.018 4.722 4.740 -0.000 0.000 0.184 1270 N C 0.888 176.405 175.510 0.012 0.000 1.021 1270 N CA 0.543 53.613 53.050 0.033 0.000 0.854 1270 N CB -0.057 38.444 38.487 0.023 0.000 0.994 1270 N HN 0.110 nan 8.380 nan 0.000 0.426 1271 I N 1.658 122.215 120.570 -0.022 0.000 2.618 1271 I HA -0.041 4.129 4.170 -0.000 0.000 0.284 1271 I C 0.014 176.097 176.117 -0.055 0.000 1.146 1271 I CA 0.447 61.705 61.300 -0.070 0.000 1.425 1271 I CB 0.356 38.294 38.000 -0.104 0.000 1.383 1271 I HN -0.134 nan 8.210 nan 0.000 0.562 1272 T N 7.711 122.241 114.554 -0.039 0.000 2.811 1272 T HA 0.329 4.678 4.350 -0.000 0.000 0.309 1272 T C 1.346 176.002 174.700 -0.073 0.000 1.005 1272 T CA -0.479 61.607 62.100 -0.023 0.000 0.955 1272 T CB 0.725 69.660 68.868 0.113 0.000 0.970 1272 T HN 0.406 nan 8.240 nan 0.000 0.496 1273 L N 2.072 123.224 121.223 -0.117 0.000 2.005 1273 L HA 0.182 4.521 4.340 -0.000 0.000 0.207 1273 L C 1.366 178.184 176.870 -0.088 0.000 1.072 1273 L CA 1.098 55.871 54.840 -0.112 0.000 0.744 1273 L CB -0.070 41.915 42.059 -0.123 0.000 0.895 1273 L HN 0.411 nan 8.230 nan 0.000 0.433 1274 R N -1.251 119.198 120.500 -0.085 0.000 2.594 1274 R HA 0.514 4.853 4.340 -0.000 0.000 0.265 1274 R C -1.029 175.267 176.300 -0.006 0.000 1.070 1274 R CA 0.196 56.268 56.100 -0.046 0.000 0.909 1274 R CB 1.994 32.262 30.300 -0.054 0.000 1.243 1274 R HN 0.222 nan 8.270 nan 0.000 0.455 1275 G N 0.700 109.520 108.800 0.033 0.000 2.462 1275 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.685 1275 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.685 1275 G C -1.755 173.208 174.900 0.104 0.000 1.295 1275 G CA -0.588 44.555 45.100 0.071 0.000 0.941 1275 G HN 0.466 nan 8.290 nan 0.000 0.554 1276 V N 0.886 120.845 119.914 0.074 0.000 2.439 1276 V HA 0.496 4.616 4.120 -0.000 0.000 0.282 1276 V C 0.548 176.611 176.094 -0.053 0.000 1.039 1276 V CA -0.421 61.887 62.300 0.014 0.000 0.913 1276 V CB 1.425 33.245 31.823 -0.006 0.000 0.983 1276 V HN 0.752 nan 8.190 nan 0.000 0.460 1277 E N 4.626 124.706 120.200 -0.200 0.000 2.414 1277 E HA 0.184 4.534 4.350 -0.000 0.000 0.263 1277 E C 0.690 177.121 176.600 -0.282 0.000 1.000 1277 E CA 0.580 56.675 56.400 -0.509 0.000 0.914 1277 E CB 0.025 29.468 29.700 -0.430 0.000 0.948 1277 E HN 0.687 nan 8.360 nan 0.000 0.444 1278 N N 0.830 119.364 118.700 -0.276 0.000 2.955 1278 N HA -0.195 4.545 4.740 -0.000 0.000 0.199 1278 N C -0.609 174.873 175.510 -0.047 0.000 0.939 1278 N CA 0.430 53.409 53.050 -0.119 0.000 1.028 1278 N CB -1.081 37.347 38.487 -0.098 0.000 1.000 1278 N HN 0.305 nan 8.380 nan 0.000 0.577 1279 I N 2.552 123.108 120.570 -0.023 0.000 2.294 1279 I HA 0.106 4.275 4.170 -0.000 0.000 0.295 1279 I C 1.531 177.689 176.117 0.067 0.000 1.098 1279 I CA 0.468 61.780 61.300 0.021 0.000 1.277 1279 I CB 0.651 38.665 38.000 0.023 0.000 1.434 1279 I HN 0.076 nan 8.210 nan 0.000 0.498 1280 E N 4.615 124.845 120.200 0.050 0.000 2.083 1280 E HA 0.201 4.551 4.350 -0.000 0.000 0.193 1280 E C 0.450 177.079 176.600 0.047 0.000 0.950 1280 E CA 0.245 56.681 56.400 0.059 0.000 0.849 1280 E CB 0.339 30.063 29.700 0.041 0.000 0.827 1280 E HN 0.438 nan 8.360 nan 0.000 0.465 1281 R N 0.749 121.271 120.500 0.036 0.000 2.459 1281 R HA 0.410 4.750 4.340 -0.000 0.000 0.281 1281 R C -1.002 175.345 176.300 0.080 0.000 1.050 1281 R CA -0.296 55.831 56.100 0.046 0.000 1.055 1281 R CB 1.780 32.096 30.300 0.027 0.000 1.045 1281 R HN -0.059 nan 8.270 nan 0.000 0.495 1282 V N 3.410 123.413 119.914 0.148 0.000 2.445 1282 V HA 0.170 4.290 4.120 -0.000 0.000 0.283 1282 V C -0.482 175.664 176.094 0.086 0.000 1.014 1282 V CA -0.792 61.559 62.300 0.086 0.000 0.852 1282 V CB 1.702 33.545 31.823 0.034 0.000 1.021 1282 V HN 0.471 nan 8.190 nan 0.000 0.435 1283 V N 5.830 125.781 119.914 0.062 0.000 2.465 1283 V HA 0.463 4.583 4.120 -0.000 0.000 0.279 1283 V C 0.393 176.481 176.094 -0.010 0.000 1.045 1283 V CA -0.347 61.987 62.300 0.058 0.000 0.938 1283 V CB 1.482 33.344 31.823 0.065 0.000 0.986 1283 V HN 0.790 nan 8.190 nan 0.000 0.467 1284 M N 5.314 124.900 119.600 -0.023 0.000 2.288 1284 M HA 0.630 5.110 4.480 -0.000 0.000 0.334 1284 M C -0.518 175.871 176.300 0.148 0.000 1.150 1284 M CA 0.008 55.322 55.300 0.024 0.000 1.118 1284 M CB 1.228 33.795 32.600 -0.056 0.000 1.501 1284 M HN 0.414 nan 8.290 nan 0.000 0.462 1285 M N 1.440 121.161 119.600 0.201 0.000 2.465 1285 M HA 0.358 4.837 4.480 -0.000 0.000 0.284 1285 M C -1.193 175.146 176.300 0.065 0.000 1.212 1285 M CA -0.822 54.572 55.300 0.157 0.000 0.910 1285 M CB 2.378 34.985 32.600 0.012 0.000 1.725 1285 M HN 0.528 nan 8.290 nan 0.000 0.477 1286 K N 1.402 121.760 120.400 -0.069 0.000 2.258 1286 K HA 0.448 4.768 4.320 -0.000 0.000 0.284 1286 K C -1.774 174.897 176.600 0.119 0.000 1.051 1286 K CA 0.055 56.154 56.287 -0.313 0.000 0.923 1286 K CB 0.702 32.880 32.500 -0.536 0.000 1.046 1286 K HN 0.608 nan 8.250 nan 0.000 0.474 1287 Y N 2.811 123.029 120.300 -0.137 0.000 2.335 1287 Y HA 0.149 4.699 4.550 -0.000 0.000 0.338 1287 Y C -0.089 175.784 175.900 -0.046 0.000 0.977 1287 Y CA -1.439 56.638 58.100 -0.038 0.000 1.114 1287 Y CB 1.595 40.085 38.460 0.051 0.000 1.182 1287 Y HN 0.577 nan 8.280 nan 0.000 0.463 1288 D N 4.387 124.820 120.400 0.055 0.000 2.348 1288 D HA 0.088 4.728 4.640 -0.000 0.000 0.253 1288 D C -0.325 175.999 176.300 0.040 0.000 1.161 1288 D CA 0.223 54.233 54.000 0.017 0.000 0.876 1288 D CB 0.804 41.595 40.800 -0.016 0.000 1.160 1288 D HN 0.468 nan 8.370 nan 0.000 0.459 1289 R N 2.697 123.229 120.500 0.053 0.000 2.562 1289 R HA 0.231 4.570 4.340 -0.000 0.000 0.298 1289 R C -0.564 175.776 176.300 0.066 0.000 0.961 1289 R CA -0.773 55.368 56.100 0.068 0.000 0.881 1289 R CB 1.052 31.404 30.300 0.087 0.000 1.159 1289 R HN 0.115 nan 8.270 nan 0.000 0.450 1290 K N 3.427 123.877 120.400 0.083 0.000 2.285 1290 K HA 0.295 4.615 4.320 -0.000 0.000 0.286 1290 K C -1.120 175.619 176.600 0.232 0.000 1.072 1290 K CA -0.309 56.069 56.287 0.152 0.000 0.913 1290 K CB 1.551 34.119 32.500 0.113 0.000 1.067 1290 K HN 0.324 nan 8.250 nan 0.000 0.479 1291 V N 5.844 125.872 119.914 0.190 0.000 2.888 1291 V HA 0.279 4.398 4.120 -0.000 0.000 0.309 1291 V C -2.493 173.503 176.094 -0.164 0.000 1.114 1291 V CA -2.252 60.077 62.300 0.049 0.000 0.940 1291 V CB 2.628 34.455 31.823 0.006 0.000 1.021 1291 V HN 0.564 nan 8.190 nan 0.000 0.426 1292 P HA 0.221 nan 4.420 nan 0.000 0.276 1292 P C -0.271 176.875 177.300 -0.256 0.000 1.235 1292 P CA 0.140 62.901 63.100 -0.565 0.000 0.772 1292 P CB 0.760 32.081 31.700 -0.632 0.000 0.871 1293 S N 4.923 120.510 115.700 -0.189 0.000 2.641 1293 S HA 0.313 4.783 4.470 -0.000 0.000 0.261 1293 S C -1.191 173.346 174.600 -0.106 0.000 1.257 1293 S CA -0.892 57.243 58.200 -0.108 0.000 0.983 1293 S CB -0.413 62.746 63.200 -0.069 0.000 0.990 1293 S HN 0.306 nan 8.310 nan 0.000 0.572 1294 P HA -0.021 nan 4.420 nan 0.000 0.218 1294 P C 1.042 178.309 177.300 -0.056 0.000 1.149 1294 P CA 1.315 64.379 63.100 -0.061 0.000 0.817 1294 P CB -0.664 31.011 31.700 -0.041 0.000 0.785 1295 T N -2.344 112.183 114.554 -0.046 0.000 3.118 1295 T HA 0.278 4.628 4.350 -0.000 0.000 0.260 1295 T C 1.547 176.228 174.700 -0.032 0.000 1.139 1295 T CA 0.991 63.074 62.100 -0.029 0.000 1.085 1295 T CB -0.137 68.723 68.868 -0.014 0.000 0.934 1295 T HN 0.345 nan 8.240 nan 0.000 0.518 1296 G N 1.819 110.577 108.800 -0.070 0.000 2.659 1296 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.202 1296 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.202 1296 G C -0.111 174.720 174.900 -0.115 0.000 1.186 1296 G CA -0.326 44.721 45.100 -0.088 0.000 0.783 1296 G HN 0.587 nan 8.290 nan 0.000 0.521 1297 E N 1.131 121.308 120.200 -0.038 0.000 2.436 1297 E HA 0.389 4.738 4.350 -0.000 0.000 0.262 1297 E C -0.593 175.978 176.600 -0.049 0.000 1.063 1297 E CA -0.219 56.192 56.400 0.019 0.000 0.944 1297 E CB 0.116 29.847 29.700 0.051 0.000 0.950 1297 E HN 0.456 nan 8.360 nan 0.000 0.444 1298 Y N 0.905 121.211 120.300 0.009 0.000 2.436 1298 Y HA 0.293 4.843 4.550 -0.000 0.000 0.343 1298 Y C -0.116 175.783 175.900 -0.001 0.000 1.008 1298 Y CA -0.340 57.762 58.100 0.004 0.000 1.241 1298 Y CB 0.769 39.234 38.460 0.009 0.000 1.153 1298 Y HN 0.230 nan 8.280 nan 0.000 0.521 1299 V N 5.250 125.214 119.914 0.082 0.000 2.513 1299 V HA 0.275 4.395 4.120 -0.000 0.000 0.299 1299 V C -0.215 175.915 176.094 0.061 0.000 1.035 1299 V CA -1.576 60.753 62.300 0.048 0.000 0.889 1299 V CB 1.709 33.532 31.823 0.001 0.000 0.988 1299 V HN 0.588 nan 8.190 nan 0.000 0.440 1300 K N 3.655 124.083 120.400 0.046 0.000 2.379 1300 K HA 0.318 4.637 4.320 -0.000 0.000 0.284 1300 K C -0.297 176.313 176.600 0.017 0.000 1.044 1300 K CA -0.018 56.290 56.287 0.035 0.000 0.974 1300 K CB 0.664 33.175 32.500 0.019 0.000 0.962 1300 K HN 0.628 nan 8.250 nan 0.000 0.474 1301 E N 4.880 125.092 120.200 0.019 0.000 2.186 1301 E HA 0.188 4.538 4.350 -0.000 0.000 0.255 1301 E C -2.384 174.216 176.600 0.000 0.000 0.881 1301 E CA -2.096 54.307 56.400 0.006 0.000 0.752 1301 E CB 1.590 31.296 29.700 0.010 0.000 1.176 1301 E HN 0.374 nan 8.360 nan 0.000 0.421 1302 P HA -0.048 nan 4.420 nan 0.000 0.268 1302 P C -0.865 176.379 177.300 -0.093 0.000 1.205 1302 P CA 0.235 63.285 63.100 -0.083 0.000 0.771 1302 P CB 0.726 32.335 31.700 -0.152 0.000 0.858 1303 E N 2.023 122.171 120.200 -0.087 0.000 2.293 1303 E HA 0.319 4.669 4.350 -0.000 0.000 0.270 1303 E C -1.294 175.217 176.600 -0.149 0.000 0.879 1303 E CA -0.982 55.391 56.400 -0.045 0.000 0.756 1303 E CB 0.913 30.691 29.700 0.130 0.000 1.208 1303 E HN 0.294 nan 8.360 nan 0.000 0.428 1304 W N 1.898 123.213 121.300 0.025 0.000 2.216 1304 W HA 0.384 5.043 4.660 -0.000 0.000 0.326 1304 W C -0.515 175.920 176.519 -0.139 0.000 1.319 1304 W CA -0.367 56.947 57.345 -0.051 0.000 1.213 1304 W CB 1.285 30.721 29.460 -0.041 0.000 1.171 1304 W HN 0.241 nan 8.180 nan 0.000 0.557 1305 V N 5.631 125.519 119.914 -0.043 0.000 2.488 1305 V HA 0.235 4.355 4.120 -0.000 0.000 0.293 1305 V C -0.149 175.757 176.094 -0.313 0.000 1.027 1305 V CA -1.135 60.938 62.300 -0.378 0.000 0.862 1305 V CB 0.772 32.059 31.823 -0.893 0.000 1.008 1305 V HN 0.335 nan 8.190 nan 0.000 0.428 1306 L N 4.503 125.598 121.223 -0.215 0.000 2.410 1306 L HA 0.405 4.745 4.340 -0.000 0.000 0.273 1306 L C 0.362 177.131 176.870 -0.168 0.000 1.144 1306 L CA 0.190 54.939 54.840 -0.151 0.000 0.863 1306 L CB 0.138 42.135 42.059 -0.103 0.000 1.140 1306 L HN 0.669 nan 8.230 nan 0.000 0.463 1307 E N 2.308 122.440 120.200 -0.112 0.000 2.171 1307 E HA 0.424 4.774 4.350 -0.000 0.000 0.271 1307 E C -0.489 176.105 176.600 -0.010 0.000 0.916 1307 E CA -0.743 55.623 56.400 -0.056 0.000 0.774 1307 E CB 1.918 31.606 29.700 -0.021 0.000 1.128 1307 E HN 0.596 nan 8.360 nan 0.000 0.403 1308 T N -0.433 114.121 114.554 0.001 0.000 2.823 1308 T HA 0.311 4.661 4.350 -0.000 0.000 0.279 1308 T C -0.432 174.279 174.700 0.017 0.000 0.998 1308 T CA -1.087 61.020 62.100 0.012 0.000 0.994 1308 T CB 1.095 69.966 68.868 0.005 0.000 0.960 1308 T HN 0.148 nan 8.240 nan 0.000 0.448 1309 D N 1.984 122.397 120.400 0.022 0.000 2.338 1309 D HA 0.536 5.175 4.640 -0.000 0.000 0.255 1309 D C 0.688 176.994 176.300 0.011 0.000 1.237 1309 D CA 1.121 55.131 54.000 0.017 0.000 0.883 1309 D CB 0.115 40.925 40.800 0.017 0.000 1.087 1309 D HN 1.130 nan 8.370 nan 0.000 0.485 1310 G N 0.602 109.403 108.800 0.001 0.000 2.841 1310 G HA2 0.060 4.020 3.960 -0.000 0.000 0.684 1310 G HA3 0.060 4.020 3.960 -0.000 0.000 0.684 1310 G C -1.215 173.674 174.900 -0.019 0.000 1.273 1310 G CA -1.047 44.047 45.100 -0.010 0.000 0.811 1310 G HN 0.402 nan 8.290 nan 0.000 0.631 1311 V N 2.843 122.737 119.914 -0.032 0.000 2.448 1311 V HA 0.749 4.869 4.120 -0.000 0.000 0.295 1311 V C -0.070 175.997 176.094 -0.044 0.000 1.025 1311 V CA -0.926 61.350 62.300 -0.040 0.000 0.859 1311 V CB 1.973 33.763 31.823 -0.055 0.000 0.988 1311 V HN 0.835 nan 8.190 nan 0.000 0.431 1312 N N 3.823 122.500 118.700 -0.038 0.000 2.722 1312 N HA 0.135 4.874 4.740 -0.000 0.000 0.242 1312 N C 0.363 175.857 175.510 -0.027 0.000 1.398 1312 N CA -0.374 52.653 53.050 -0.039 0.000 0.755 1312 N CB 1.419 39.878 38.487 -0.046 0.000 1.268 1312 N HN 0.618 nan 8.380 nan 0.000 0.522 1313 L N 2.121 123.328 121.223 -0.027 0.000 2.201 1313 L HA -0.017 4.323 4.340 -0.000 0.000 0.212 1313 L C 1.973 178.841 176.870 -0.003 0.000 1.105 1313 L CA 1.992 56.824 54.840 -0.013 0.000 0.775 1313 L CB -0.387 41.660 42.059 -0.019 0.000 0.913 1313 L HN 0.459 nan 8.230 nan 0.000 0.440 1314 S N -0.791 114.903 115.700 -0.010 0.000 2.338 1314 S HA -0.196 4.273 4.470 -0.000 0.000 0.218 1314 S C 1.855 176.452 174.600 -0.004 0.000 1.032 1314 S CA 1.219 59.416 58.200 -0.005 0.000 0.999 1314 S CB -0.840 62.354 63.200 -0.011 0.000 0.905 1314 S HN 0.577 nan 8.310 nan 0.000 0.439 1315 E N 0.615 120.808 120.200 -0.011 0.000 2.204 1315 E HA 0.028 4.377 4.350 -0.000 0.000 0.194 1315 E C 1.950 178.548 176.600 -0.004 0.000 0.989 1315 E CA 0.782 57.175 56.400 -0.010 0.000 0.824 1315 E CB -0.146 29.542 29.700 -0.020 0.000 0.756 1315 E HN 0.391 nan 8.360 nan 0.000 0.477 1316 V N 0.687 120.600 119.914 -0.002 0.000 2.788 1316 V HA -0.131 3.989 4.120 -0.000 0.000 0.251 1316 V C 2.086 178.190 176.094 0.016 0.000 1.068 1316 V CA 1.026 63.329 62.300 0.005 0.000 1.090 1316 V CB -0.193 31.632 31.823 0.004 0.000 0.710 1316 V HN 0.339 nan 8.190 nan 0.000 0.467 1317 M N -0.376 119.236 119.600 0.020 0.000 2.346 1317 M HA -0.188 4.291 4.480 -0.000 0.000 0.263 1317 M C 1.954 178.272 176.300 0.029 0.000 1.064 1317 M CA 1.851 57.170 55.300 0.032 0.000 1.083 1317 M CB -0.073 32.545 32.600 0.031 0.000 1.399 1317 M HN 0.373 nan 8.290 nan 0.000 0.435 1318 T N -0.702 113.863 114.554 0.019 0.000 2.990 1318 T HA 0.164 4.513 4.350 -0.000 0.000 0.250 1318 T C 0.234 174.942 174.700 0.013 0.000 1.041 1318 T CA -0.115 61.994 62.100 0.015 0.000 1.010 1318 T CB 0.072 68.945 68.868 0.009 0.000 1.003 1318 T HN 0.063 nan 8.240 nan 0.000 0.499 1319 V N 5.592 125.513 119.914 0.011 0.000 2.678 1319 V HA 0.076 4.196 4.120 -0.000 0.000 0.304 1319 V C -1.902 174.198 176.094 0.011 0.000 1.086 1319 V CA -0.860 61.444 62.300 0.007 0.000 1.246 1319 V CB 0.141 31.967 31.823 0.005 0.000 0.861 1319 V HN 0.419 nan 8.190 nan 0.000 0.491 1320 P HA 0.162 nan 4.420 nan 0.000 0.264 1320 P C 0.827 178.132 177.300 0.009 0.000 1.193 1320 P CA 1.098 64.202 63.100 0.007 0.000 0.763 1320 P CB 0.799 32.497 31.700 -0.004 0.000 0.810 1321 G N 2.641 111.457 108.800 0.027 0.000 2.175 1321 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.244 1321 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.244 1321 G C 0.187 175.125 174.900 0.064 0.000 0.982 1321 G CA 0.172 45.297 45.100 0.042 0.000 0.641 1321 G HN 0.739 nan 8.290 nan 0.000 0.527 1322 I N -1.946 118.659 120.570 0.058 0.000 2.797 1322 I HA 0.692 4.861 4.170 -0.000 0.000 0.310 1322 I C -0.421 175.752 176.117 0.093 0.000 0.990 1322 I CA -0.977 60.370 61.300 0.079 0.000 1.228 1322 I CB 1.369 39.408 38.000 0.066 0.000 1.406 1322 I HN -0.082 nan 8.210 nan 0.000 0.534 1323 D N 5.718 126.192 120.400 0.123 0.000 2.453 1323 D HA 0.237 4.876 4.640 -0.000 0.000 0.223 1323 D C -1.686 174.678 176.300 0.107 0.000 1.183 1323 D CA -1.903 52.163 54.000 0.111 0.000 0.933 1323 D CB 1.102 41.979 40.800 0.128 0.000 1.038 1323 D HN 0.409 nan 8.370 nan 0.000 0.513 1324 P HA -0.029 nan 4.420 nan 0.000 0.237 1324 P C 1.186 178.530 177.300 0.073 0.000 1.178 1324 P CA 0.385 63.530 63.100 0.074 0.000 0.766 1324 P CB 0.419 32.151 31.700 0.052 0.000 0.876 1325 T N -0.120 114.471 114.554 0.062 0.000 2.904 1325 T HA 0.023 4.372 4.350 -0.000 0.000 0.267 1325 T C 1.693 176.424 174.700 0.052 0.000 1.059 1325 T CA 1.102 63.227 62.100 0.042 0.000 1.137 1325 T CB -0.095 68.784 68.868 0.018 0.000 0.879 1325 T HN 0.244 nan 8.240 nan 0.000 0.467 1326 R N -0.118 120.429 120.500 0.078 0.000 2.344 1326 R HA 0.398 4.738 4.340 -0.000 0.000 0.209 1326 R C 0.775 177.228 176.300 0.255 0.000 0.886 1326 R CA -0.238 55.903 56.100 0.067 0.000 1.040 1326 R CB 0.327 30.555 30.300 -0.121 0.000 1.114 1326 R HN 0.318 nan 8.270 nan 0.000 0.547 1327 I N 2.203 122.936 120.570 0.272 0.000 3.015 1327 I HA -0.206 3.964 4.170 -0.000 0.000 0.309 1327 I C -0.900 175.405 176.117 0.312 0.000 1.229 1327 I CA 0.729 62.199 61.300 0.284 0.000 1.430 1327 I CB 0.104 38.201 38.000 0.161 0.000 1.347 1327 I HN 0.048 nan 8.210 nan 0.000 0.544 1328 Y N 6.898 127.319 120.300 0.202 0.000 2.499 1328 Y HA 0.488 5.038 4.550 -0.000 0.000 0.347 1328 Y C -0.319 175.661 175.900 0.133 0.000 0.987 1328 Y CA -0.570 57.634 58.100 0.174 0.000 1.044 1328 Y CB 1.844 40.440 38.460 0.227 0.000 1.245 1328 Y HN 0.575 nan 8.280 nan 0.000 0.461 1329 T N 3.113 117.278 114.554 -0.648 0.000 2.908 1329 T HA 0.243 4.593 4.350 -0.000 0.000 0.290 1329 T C 0.451 174.659 174.700 -0.820 0.000 1.034 1329 T CA -0.474 61.320 62.100 -0.509 0.000 1.010 1329 T CB 0.735 69.459 68.868 -0.241 0.000 1.068 1329 T HN 0.833 nan 8.240 nan 0.000 0.481 1330 N N 1.813 120.328 118.700 -0.309 0.000 2.409 1330 N HA -0.013 4.727 4.740 -0.000 0.000 0.179 1330 N C 0.991 176.499 175.510 -0.003 0.000 1.032 1330 N CA 0.471 53.470 53.050 -0.085 0.000 0.898 1330 N CB -0.211 38.330 38.487 0.089 0.000 0.971 1330 N HN 0.348 nan 8.380 nan 0.000 0.441 1331 S N 0.693 116.338 115.700 -0.091 0.000 3.355 1331 S HA 0.017 4.487 4.470 -0.000 0.000 0.293 1331 S C 0.708 175.207 174.600 -0.168 0.000 1.197 1331 S CA -0.755 57.359 58.200 -0.143 0.000 1.117 1331 S CB -1.445 61.660 63.200 -0.159 0.000 1.587 1331 S HN 0.378 nan 8.310 nan 0.000 0.536 1332 F N 3.067 122.993 119.950 -0.040 0.000 2.307 1332 F HA -0.050 4.477 4.527 -0.000 0.000 0.301 1332 F C 1.441 177.246 175.800 0.008 0.000 1.076 1332 F CA 0.676 58.675 58.000 -0.002 0.000 1.383 1332 F CB -0.625 38.408 39.000 0.055 0.000 1.055 1332 F HN 0.473 nan 8.300 nan 0.000 0.526 1333 I N 1.089 121.234 120.570 -0.708 0.000 2.179 1333 I HA -0.251 3.919 4.170 -0.000 0.000 0.242 1333 I C 2.122 178.135 176.117 -0.173 0.000 1.088 1333 I CA 1.674 62.721 61.300 -0.421 0.000 1.357 1333 I CB -0.630 37.090 38.000 -0.466 0.000 1.051 1333 I HN 0.135 nan 8.210 nan 0.000 0.409 1334 D N 0.974 121.278 120.400 -0.160 0.000 2.144 1334 D HA -0.141 4.499 4.640 -0.000 0.000 0.199 1334 D C 2.266 178.539 176.300 -0.046 0.000 0.984 1334 D CA 1.171 55.118 54.000 -0.089 0.000 0.834 1334 D CB -0.102 40.644 40.800 -0.089 0.000 0.955 1334 D HN 0.326 nan 8.370 nan 0.000 0.465 1335 I N 1.034 121.583 120.570 -0.036 0.000 2.118 1335 I HA -0.318 3.852 4.170 -0.000 0.000 0.241 1335 I C 2.647 178.793 176.117 0.047 0.000 1.070 1335 I CA 1.037 62.350 61.300 0.022 0.000 1.327 1335 I CB -0.214 37.824 38.000 0.063 0.000 1.034 1335 I HN 0.043 nan 8.210 nan 0.000 0.405 1336 M N 0.787 120.423 119.600 0.061 0.000 2.082 1336 M HA -0.324 4.155 4.480 -0.000 0.000 0.258 1336 M C 2.031 178.353 176.300 0.037 0.000 1.071 1336 M CA 2.132 57.473 55.300 0.068 0.000 1.103 1336 M CB -0.397 32.251 32.600 0.081 0.000 1.307 1336 M HN 0.134 nan 8.290 nan 0.000 0.409 1337 E N -0.775 119.431 120.200 0.010 0.000 2.265 1337 E HA -0.153 4.197 4.350 -0.000 0.000 0.196 1337 E C 1.810 178.414 176.600 0.006 0.000 0.996 1337 E CA 1.251 57.652 56.400 0.002 0.000 0.832 1337 E CB 0.108 29.798 29.700 -0.017 0.000 0.756 1337 E HN 0.450 nan 8.360 nan 0.000 0.491 1338 V N -0.143 119.778 119.914 0.010 0.000 3.212 1338 V HA 0.012 4.132 4.120 -0.000 0.000 0.244 1338 V C 1.423 177.532 176.094 0.025 0.000 1.151 1338 V CA 0.669 62.977 62.300 0.013 0.000 1.119 1338 V CB 0.357 32.185 31.823 0.009 0.000 0.838 1338 V HN 0.201 nan 8.190 nan 0.000 0.470 1339 L N -0.068 121.177 121.223 0.037 0.000 2.766 1339 L HA 0.577 4.917 4.340 -0.000 0.000 0.242 1339 L C 0.941 177.839 176.870 0.048 0.000 1.136 1339 L CA 0.541 55.408 54.840 0.046 0.000 0.933 1339 L CB 0.273 42.370 42.059 0.063 0.000 1.241 1339 L HN 0.453 nan 8.230 nan 0.000 0.522 1340 G N 0.683 109.510 108.800 0.046 0.000 2.746 1340 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.685 1340 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.685 1340 G C 0.286 175.225 174.900 0.065 0.000 1.350 1340 G CA -0.065 45.064 45.100 0.048 0.000 0.837 1340 G HN 0.071 nan 8.290 nan 0.000 0.564 1341 I N -0.192 120.416 120.570 0.064 0.000 2.353 1341 I HA -0.049 4.120 4.170 -0.000 0.000 0.248 1341 I C 2.440 178.609 176.117 0.086 0.000 1.119 1341 I CA 1.788 63.135 61.300 0.079 0.000 1.417 1341 I CB -0.140 37.903 38.000 0.071 0.000 1.078 1341 I HN 0.671 nan 8.210 nan 0.000 0.421 1342 E N 1.073 121.315 120.200 0.070 0.000 2.110 1342 E HA -0.215 4.134 4.350 -0.000 0.000 0.193 1342 E C 2.145 178.790 176.600 0.074 0.000 0.988 1342 E CA 1.474 57.913 56.400 0.065 0.000 0.804 1342 E CB -0.164 29.564 29.700 0.047 0.000 0.745 1342 E HN 0.631 nan 8.360 nan 0.000 0.458 1343 A N 0.720 123.588 122.820 0.080 0.000 1.930 1343 A HA 0.019 4.338 4.320 -0.000 0.000 0.215 1343 A C 2.429 180.098 177.584 0.142 0.000 1.176 1343 A CA 1.516 53.614 52.037 0.101 0.000 0.632 1343 A CB -0.863 18.193 19.000 0.093 0.000 0.819 1343 A HN 0.320 nan 8.150 nan 0.000 0.445 1344 G N -0.098 108.785 108.800 0.139 0.000 2.553 1344 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.218 1344 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.218 1344 G C 1.771 176.790 174.900 0.199 0.000 1.195 1344 G CA 1.176 46.388 45.100 0.186 0.000 0.779 1344 G HN 0.518 nan 8.290 nan 0.000 0.577 1345 R N 0.692 121.280 120.500 0.148 0.000 2.094 1345 R HA -0.114 4.226 4.340 -0.000 0.000 0.239 1345 R C 2.952 179.341 176.300 0.149 0.000 1.137 1345 R CA 1.782 57.957 56.100 0.125 0.000 0.943 1345 R CB -0.641 29.717 30.300 0.097 0.000 0.850 1345 R HN 0.302 nan 8.270 nan 0.000 0.433 1346 A N 0.737 123.640 122.820 0.138 0.000 1.884 1346 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 1346 A C 2.398 180.119 177.584 0.228 0.000 1.197 1346 A CA 2.394 54.518 52.037 0.144 0.000 0.637 1346 A CB -0.997 18.064 19.000 0.102 0.000 0.827 1346 A HN 0.599 nan 8.150 nan 0.000 0.450 1347 A N -0.992 121.989 122.820 0.267 0.000 1.898 1347 A HA 0.003 4.322 4.320 -0.000 0.000 0.216 1347 A C 2.127 179.880 177.584 0.282 0.000 1.181 1347 A CA 1.709 53.978 52.037 0.387 0.000 0.620 1347 A CB -0.646 18.614 19.000 0.433 0.000 0.819 1347 A HN 0.789 nan 8.150 nan 0.000 0.442 1348 L N -1.403 119.907 121.223 0.145 0.000 2.127 1348 L HA -0.174 4.165 4.340 -0.000 0.000 0.211 1348 L C 2.228 179.065 176.870 -0.055 0.000 1.089 1348 L CA 2.308 57.046 54.840 -0.171 0.000 0.757 1348 L CB -0.797 41.093 42.059 -0.281 0.000 0.899 1348 L HN 0.574 nan 8.230 nan 0.000 0.434 1349 Y N -0.311 119.988 120.300 -0.001 0.000 2.395 1349 Y HA -0.135 4.415 4.550 -0.000 0.000 0.293 1349 Y C 2.476 178.432 175.900 0.094 0.000 1.123 1349 Y CA 1.644 59.764 58.100 0.034 0.000 1.227 1349 Y CB -0.016 38.477 38.460 0.055 0.000 1.012 1349 Y HN 0.188 nan 8.280 nan 0.000 0.552 1350 K N -0.111 120.426 120.400 0.228 0.000 2.296 1350 K HA -0.095 4.225 4.320 -0.000 0.000 0.200 1350 K C 1.536 178.233 176.600 0.163 0.000 1.048 1350 K CA 0.925 57.327 56.287 0.191 0.000 0.966 1350 K CB 0.193 32.806 32.500 0.189 0.000 0.754 1350 K HN 0.261 nan 8.250 nan 0.000 0.466 1351 E N 0.297 120.566 120.200 0.114 0.000 2.042 1351 E HA -0.079 4.271 4.350 -0.000 0.000 0.189 1351 E C 2.048 178.646 176.600 -0.004 0.000 0.974 1351 E CA 0.773 57.230 56.400 0.094 0.000 0.806 1351 E CB -0.330 29.413 29.700 0.072 0.000 0.769 1351 E HN 0.024 nan 8.360 nan 0.000 0.451 1352 V N 1.261 121.112 119.914 -0.104 0.000 2.380 1352 V HA -0.274 3.845 4.120 -0.000 0.000 0.251 1352 V C 2.278 178.296 176.094 -0.126 0.000 1.063 1352 V CA 2.031 64.250 62.300 -0.135 0.000 1.055 1352 V CB -0.650 31.063 31.823 -0.183 0.000 0.657 1352 V HN 0.299 nan 8.190 nan 0.000 0.455 1353 Y N 0.972 121.078 120.300 -0.323 0.000 2.365 1353 Y HA -0.051 4.499 4.550 -0.000 0.000 0.293 1353 Y C 2.334 178.168 175.900 -0.110 0.000 1.119 1353 Y CA 1.399 59.324 58.100 -0.291 0.000 1.203 1353 Y CB -0.114 38.037 38.460 -0.516 0.000 1.026 1353 Y HN 0.245 nan 8.280 nan 0.000 0.549 1354 N N 0.056 118.783 118.700 0.045 0.000 2.244 1354 N HA -0.153 4.586 4.740 -0.000 0.000 0.183 1354 N C 1.815 177.277 175.510 -0.080 0.000 1.016 1354 N CA 1.507 54.556 53.050 -0.003 0.000 0.866 1354 N CB -0.383 38.168 38.487 0.107 0.000 0.980 1354 N HN 0.296 nan 8.380 nan 0.000 0.430 1355 V N 0.822 120.694 119.914 -0.070 0.000 2.307 1355 V HA -0.124 3.995 4.120 -0.000 0.000 0.245 1355 V C 2.071 178.097 176.094 -0.113 0.000 1.045 1355 V CA 1.200 63.459 62.300 -0.068 0.000 1.024 1355 V CB -0.288 31.503 31.823 -0.052 0.000 0.651 1355 V HN 0.266 nan 8.190 nan 0.000 0.449 1356 I N -0.019 120.449 120.570 -0.170 0.000 2.761 1356 I HA -0.102 4.067 4.170 -0.000 0.000 0.261 1356 I C 2.376 178.349 176.117 -0.241 0.000 1.198 1356 I CA 1.020 62.207 61.300 -0.188 0.000 1.482 1356 I CB -0.226 37.665 38.000 -0.183 0.000 1.100 1356 I HN 0.277 nan 8.210 nan 0.000 0.445 1357 A N 0.024 122.627 122.820 -0.361 0.000 2.030 1357 A HA -0.117 4.203 4.320 -0.000 0.000 0.215 1357 A C 2.403 179.891 177.584 -0.160 0.000 1.164 1357 A CA 1.158 52.993 52.037 -0.337 0.000 0.697 1357 A CB -0.510 18.160 19.000 -0.549 0.000 0.827 1357 A HN 0.447 nan 8.150 nan 0.000 0.457 1358 S N -0.060 115.568 115.700 -0.121 0.000 2.442 1358 S HA -0.150 4.320 4.470 -0.000 0.000 0.236 1358 S C 0.481 175.051 174.600 -0.050 0.000 1.007 1358 S CA 1.579 59.741 58.200 -0.063 0.000 0.965 1358 S CB -0.467 62.709 63.200 -0.040 0.000 0.773 1358 S HN 0.472 nan 8.310 nan 0.000 0.504 1359 D N 0.636 121.000 120.400 -0.060 0.000 2.895 1359 D HA 0.486 5.126 4.640 -0.000 0.000 0.258 1359 D C 1.233 177.509 176.300 -0.040 0.000 1.311 1359 D CA 0.506 54.481 54.000 -0.043 0.000 0.843 1359 D CB -0.012 40.763 40.800 -0.042 0.000 1.055 1359 D HN 0.413 nan 8.370 nan 0.000 0.486 1360 G N 0.247 109.020 108.800 -0.045 0.000 2.366 1360 G HA2 -0.384 3.575 3.960 -0.000 0.000 0.263 1360 G HA3 -0.384 3.575 3.960 -0.000 0.000 0.263 1360 G C 0.919 175.810 174.900 -0.016 0.000 0.986 1360 G CA 0.726 45.806 45.100 -0.033 0.000 0.632 1360 G HN 0.440 nan 8.290 nan 0.000 0.555 1361 S N -0.416 115.271 115.700 -0.022 0.000 2.566 1361 S HA 0.432 4.902 4.470 -0.000 0.000 0.280 1361 S C -0.244 174.396 174.600 0.066 0.000 1.343 1361 S CA 0.034 58.239 58.200 0.008 0.000 1.036 1361 S CB 0.643 63.825 63.200 -0.031 0.000 0.866 1361 S HN 0.642 nan 8.310 nan 0.000 0.526 1362 Y N 2.187 122.467 120.300 -0.033 0.000 2.485 1362 Y HA 0.635 5.185 4.550 -0.000 0.000 0.345 1362 Y C -1.018 174.909 175.900 0.044 0.000 0.998 1362 Y CA -0.950 57.153 58.100 0.005 0.000 1.059 1362 Y CB 1.167 39.646 38.460 0.032 0.000 1.234 1362 Y HN 0.324 nan 8.280 nan 0.000 0.461 1363 V N 5.884 125.397 119.914 -0.668 0.000 2.567 1363 V HA 0.186 4.306 4.120 -0.000 0.000 0.298 1363 V C -0.652 175.067 176.094 -0.625 0.000 1.047 1363 V CA -1.304 60.717 62.300 -0.466 0.000 0.880 1363 V CB 1.551 33.276 31.823 -0.163 0.000 1.009 1363 V HN 0.865 nan 8.190 nan 0.000 0.429 1364 N N 2.912 121.358 118.700 -0.423 0.000 2.359 1364 N HA -0.092 4.648 4.740 -0.000 0.000 0.261 1364 N C 1.097 176.620 175.510 0.021 0.000 1.267 1364 N CA 0.404 53.351 53.050 -0.171 0.000 0.864 1364 N CB 0.259 38.761 38.487 0.026 0.000 1.063 1364 N HN 0.714 nan 8.380 nan 0.000 0.474 1365 Y N 5.016 125.381 120.300 0.107 0.000 2.062 1365 Y HA -0.446 4.104 4.550 -0.000 0.000 0.273 1365 Y C 2.102 178.029 175.900 0.045 0.000 1.206 1365 Y CA 2.635 60.848 58.100 0.189 0.000 1.125 1365 Y CB -0.254 38.316 38.460 0.183 0.000 0.951 1365 Y HN 0.745 nan 8.280 nan 0.000 0.501 1366 R N -0.980 119.328 120.500 -0.320 0.000 2.139 1366 R HA -0.235 4.105 4.340 -0.000 0.000 0.243 1366 R C 1.825 177.852 176.300 -0.455 0.000 1.145 1366 R CA 1.849 57.598 56.100 -0.585 0.000 0.976 1366 R CB -1.235 28.664 30.300 -0.668 0.000 0.866 1366 R HN 0.501 nan 8.270 nan 0.000 0.449 1367 H N 0.995 119.988 119.070 -0.129 0.000 2.326 1367 H HA 0.008 4.564 4.556 -0.000 0.000 0.301 1367 H C 2.216 177.493 175.328 -0.084 0.000 1.081 1367 H CA 1.868 57.878 56.048 -0.063 0.000 1.334 1367 H CB -0.275 29.461 29.762 -0.043 0.000 1.385 1367 H HN 0.264 nan 8.280 nan 0.000 0.504 1368 M N 0.195 119.815 119.600 0.033 0.000 2.175 1368 M HA -0.060 4.420 4.480 -0.000 0.000 0.264 1368 M C 2.767 179.078 176.300 0.017 0.000 1.063 1368 M CA 1.164 56.479 55.300 0.025 0.000 1.119 1368 M CB -0.167 32.451 32.600 0.030 0.000 1.377 1368 M HN 0.226 nan 8.290 nan 0.000 0.415 1369 A N 0.792 123.489 122.820 -0.205 0.000 1.859 1369 A HA -0.219 4.100 4.320 -0.000 0.000 0.217 1369 A C 2.100 179.608 177.584 -0.127 0.000 1.198 1369 A CA 1.819 53.663 52.037 -0.321 0.000 0.629 1369 A CB -1.088 17.399 19.000 -0.856 0.000 0.830 1369 A HN 0.449 nan 8.150 nan 0.000 0.446 1370 L N -0.671 120.481 121.223 -0.117 0.000 2.127 1370 L HA -0.148 4.192 4.340 -0.000 0.000 0.211 1370 L C 2.228 179.100 176.870 0.004 0.000 1.089 1370 L CA 2.231 57.062 54.840 -0.016 0.000 0.757 1370 L CB -0.644 41.450 42.059 0.058 0.000 0.899 1370 L HN 0.457 nan 8.230 nan 0.000 0.434 1371 L N -1.853 119.370 121.223 -0.000 0.000 2.109 1371 L HA -0.051 4.288 4.340 -0.000 0.000 0.207 1371 L C 2.310 179.176 176.870 -0.007 0.000 1.086 1371 L CA 1.626 56.462 54.840 -0.007 0.000 0.760 1371 L CB -0.539 41.508 42.059 -0.021 0.000 0.910 1371 L HN 0.052 nan 8.230 nan 0.000 0.437 1372 V N -0.497 119.422 119.914 0.008 0.000 2.788 1372 V HA -0.131 3.988 4.120 -0.000 0.000 0.251 1372 V C 1.964 178.076 176.094 0.030 0.000 1.068 1372 V CA 1.577 63.890 62.300 0.021 0.000 1.090 1372 V CB -0.412 31.466 31.823 0.092 0.000 0.710 1372 V HN 0.504 nan 8.190 nan 0.000 0.467 1373 D N -0.345 120.068 120.400 0.021 0.000 2.123 1373 D HA -0.100 4.540 4.640 -0.000 0.000 0.200 1373 D C 2.119 178.435 176.300 0.026 0.000 0.976 1373 D CA 1.328 55.343 54.000 0.026 0.000 0.831 1373 D CB 0.062 40.871 40.800 0.016 0.000 0.974 1373 D HN 0.343 nan 8.370 nan 0.000 0.469 1374 V N 1.172 121.096 119.914 0.017 0.000 2.626 1374 V HA -0.169 3.950 4.120 -0.000 0.000 0.252 1374 V C 2.310 178.419 176.094 0.025 0.000 1.067 1374 V CA 1.071 63.381 62.300 0.017 0.000 1.081 1374 V CB -0.290 31.538 31.823 0.009 0.000 0.686 1374 V HN 0.228 nan 8.190 nan 0.000 0.468 1375 M N -1.532 118.083 119.600 0.026 0.000 2.558 1375 M HA -0.036 4.444 4.480 -0.000 0.000 0.255 1375 M C 1.688 178.028 176.300 0.066 0.000 1.113 1375 M CA 1.081 56.406 55.300 0.041 0.000 1.097 1375 M CB 0.021 32.633 32.600 0.019 0.000 1.426 1375 M HN 0.233 nan 8.290 nan 0.000 0.488 1376 T N -1.052 113.538 114.554 0.059 0.000 2.986 1376 T HA 0.051 4.401 4.350 -0.000 0.000 0.264 1376 T C 1.491 176.229 174.700 0.063 0.000 0.964 1376 T CA 0.370 62.513 62.100 0.072 0.000 0.895 1376 T CB 0.286 69.199 68.868 0.074 0.000 1.163 1376 T HN 0.266 nan 8.240 nan 0.000 0.517 1377 T N 2.570 117.154 114.554 0.050 0.000 2.737 1377 T HA -0.143 4.207 4.350 -0.000 0.000 0.269 1377 T C 1.338 176.065 174.700 0.046 0.000 1.040 1377 T CA 1.205 63.331 62.100 0.043 0.000 1.142 1377 T CB -0.222 68.661 68.868 0.025 0.000 0.861 1377 T HN 0.487 nan 8.240 nan 0.000 0.456 1378 Q N 0.602 120.431 119.800 0.048 0.000 2.242 1378 Q HA 0.453 4.793 4.340 -0.000 0.000 0.246 1378 Q C 1.581 177.610 176.000 0.048 0.000 0.883 1378 Q CA 0.141 55.970 55.803 0.044 0.000 0.984 1378 Q CB 0.300 29.062 28.738 0.041 0.000 1.096 1378 Q HN 0.580 nan 8.270 nan 0.000 0.452 1379 G N 0.074 108.907 108.800 0.054 0.000 2.347 1379 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.247 1379 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.247 1379 G C 0.415 175.350 174.900 0.058 0.000 1.037 1379 G CA -0.161 44.971 45.100 0.053 0.000 0.622 1379 G HN 0.622 nan 8.290 nan 0.000 0.521 1380 G N -0.898 107.940 108.800 0.064 0.000 2.788 1380 G HA2 0.678 4.638 3.960 -0.000 0.000 0.293 1380 G HA3 0.678 4.638 3.960 -0.000 0.000 0.293 1380 G C -0.422 174.541 174.900 0.105 0.000 1.305 1380 G CA -1.002 44.143 45.100 0.075 0.000 1.005 1380 G HN 0.724 nan 8.290 nan 0.000 0.496 1381 L N 1.627 122.931 121.223 0.136 0.000 2.312 1381 L HA 0.271 4.611 4.340 -0.000 0.000 0.287 1381 L C 0.117 177.103 176.870 0.194 0.000 1.091 1381 L CA -0.280 54.677 54.840 0.195 0.000 0.846 1381 L CB 0.318 42.556 42.059 0.298 0.000 1.219 1381 L HN 0.298 nan 8.230 nan 0.000 0.439 1382 T N 0.701 115.356 114.554 0.168 0.000 2.743 1382 T HA 0.199 4.549 4.350 -0.000 0.000 0.293 1382 T C 0.459 175.264 174.700 0.175 0.000 0.945 1382 T CA -0.515 61.713 62.100 0.213 0.000 1.030 1382 T CB 1.349 70.311 68.868 0.156 0.000 0.912 1382 T HN 0.589 nan 8.240 nan 0.000 0.483 1383 S N 2.479 118.270 115.700 0.152 0.000 2.576 1383 S HA 0.161 4.631 4.470 -0.000 0.000 0.272 1383 S C 1.167 175.654 174.600 -0.189 0.000 1.352 1383 S CA -0.617 57.479 58.200 -0.173 0.000 1.021 1383 S CB 0.510 63.347 63.200 -0.605 0.000 0.887 1383 S HN 0.434 nan 8.310 nan 0.000 0.542 1384 V N 1.958 121.777 119.914 -0.159 0.000 2.521 1384 V HA 0.046 4.166 4.120 -0.000 0.000 0.239 1384 V C 1.235 177.233 176.094 -0.160 0.000 1.053 1384 V CA 1.331 63.555 62.300 -0.127 0.000 1.073 1384 V CB -0.677 31.087 31.823 -0.098 0.000 0.746 1384 V HN 1.007 nan 8.190 nan 0.000 0.476 1385 T N 4.332 118.792 114.554 -0.156 0.000 4.216 1385 T HA 0.125 4.474 4.350 -0.000 0.000 0.221 1385 T C 0.342 174.985 174.700 -0.094 0.000 0.939 1385 T CA -0.168 61.864 62.100 -0.113 0.000 1.218 1385 T CB -1.351 67.518 68.868 0.001 0.000 1.266 1385 T HN 0.719 nan 8.240 nan 0.000 0.917 1386 R N 0.186 120.619 120.500 -0.111 0.000 1.950 1386 R HA -0.265 4.075 4.340 -0.000 0.000 0.285 1386 R C -0.577 175.646 176.300 -0.129 0.000 1.303 1386 R CA 0.602 56.648 56.100 -0.091 0.000 1.306 1386 R CB -0.550 29.727 30.300 -0.038 0.000 3.532 1386 R HN 0.464 nan 8.270 nan 0.000 0.383 1387 H N 2.102 121.111 119.070 -0.103 0.000 2.460 1387 H HA 0.214 4.770 4.556 -0.000 0.000 0.297 1387 H C 1.193 176.371 175.328 -0.249 0.000 1.023 1387 H CA 1.175 57.139 56.048 -0.140 0.000 1.321 1387 H CB 0.312 30.033 29.762 -0.068 0.000 1.455 1387 H HN 0.729 nan 8.280 nan 0.000 0.539 1388 G N -0.772 108.003 108.800 -0.042 0.000 2.444 1388 G HA2 0.261 4.220 3.960 -0.000 0.000 0.268 1388 G HA3 0.261 4.220 3.960 -0.000 0.000 0.268 1388 G C 0.130 174.942 174.900 -0.147 0.000 1.203 1388 G CA -0.441 44.609 45.100 -0.084 0.000 0.835 1388 G HN 0.125 nan 8.290 nan 0.000 0.543 1389 F N 0.329 120.349 119.950 0.117 0.000 2.293 1389 F HA 0.116 4.643 4.527 -0.000 0.000 0.297 1389 F C 1.058 176.977 175.800 0.199 0.000 1.089 1389 F CA 0.298 58.407 58.000 0.180 0.000 1.377 1389 F CB 0.202 39.300 39.000 0.165 0.000 1.051 1389 F HN 0.191 nan 8.300 nan 0.000 0.511 1390 N N 0.630 119.487 118.700 0.262 0.000 2.372 1390 N HA 0.461 5.201 4.740 -0.000 0.000 0.285 1390 N C -0.054 175.505 175.510 0.082 0.000 1.008 1390 N CA -0.433 52.708 53.050 0.151 0.000 0.880 1390 N CB 2.072 40.605 38.487 0.076 0.000 1.239 1390 N HN 0.090 nan 8.380 nan 0.000 0.484 1391 R N 0.495 121.031 120.500 0.059 0.000 4.135 1391 R HA -0.259 4.081 4.340 -0.000 0.000 0.262 1391 R C 0.128 176.440 176.300 0.020 0.000 0.241 1391 R CA 1.000 57.117 56.100 0.028 0.000 0.916 1391 R CB -1.599 28.712 30.300 0.018 0.000 1.096 1391 R HN 0.923 nan 8.270 nan 0.000 0.513 1392 S N -1.297 114.412 115.700 0.016 0.000 1.505 1392 S HA -0.100 4.370 4.470 -0.000 0.000 0.248 1392 S C -0.166 174.437 174.600 0.006 0.000 1.017 1392 S CA 0.477 58.683 58.200 0.010 0.000 1.104 1392 S CB -0.793 62.402 63.200 -0.008 0.000 1.310 1392 S HN 0.875 nan 8.310 nan 0.000 0.531 1393 N N 0.405 119.107 118.700 0.004 0.000 3.928 1393 N HA 0.161 4.901 4.740 -0.000 0.000 0.105 1393 N C -1.646 173.864 175.510 0.001 0.000 0.878 1393 N CA 0.714 53.767 53.050 0.004 0.000 2.921 1393 N CB 0.180 38.669 38.487 0.003 0.000 1.365 1393 N HN 0.510 nan 8.380 nan 0.000 0.796 1394 T N -0.261 114.294 114.554 0.002 0.000 2.879 1394 T HA 0.640 4.989 4.350 -0.000 0.000 0.290 1394 T C 0.648 175.346 174.700 -0.003 0.000 0.993 1394 T CA -0.411 61.689 62.100 0.000 0.000 0.975 1394 T CB 1.637 70.505 68.868 0.001 0.000 0.981 1394 T HN 0.304 nan 8.240 nan 0.000 0.439 1395 G N 1.028 109.831 108.800 0.005 0.000 2.569 1395 G HA2 0.453 4.413 3.960 -0.000 0.000 0.249 1395 G HA3 0.453 4.413 3.960 -0.000 0.000 0.249 1395 G C 1.230 176.120 174.900 -0.017 0.000 1.216 1395 G CA -0.126 44.982 45.100 0.013 0.000 0.845 1395 G HN 0.891 nan 8.290 nan 0.000 0.568 1396 A N 1.264 124.041 122.820 -0.072 0.000 2.032 1396 A HA -0.079 4.241 4.320 -0.000 0.000 0.221 1396 A C 2.334 179.862 177.584 -0.092 0.000 1.165 1396 A CA 1.318 53.234 52.037 -0.202 0.000 0.645 1396 A CB -0.294 18.325 19.000 -0.636 0.000 0.807 1396 A HN 0.569 nan 8.150 nan 0.000 0.453 1397 L N -1.301 119.940 121.223 0.031 0.000 2.095 1397 L HA -0.008 4.332 4.340 -0.000 0.000 0.204 1397 L C 1.596 178.479 176.870 0.021 0.000 1.080 1397 L CA 0.083 54.959 54.840 0.059 0.000 0.759 1397 L CB -0.434 41.689 42.059 0.107 0.000 0.914 1397 L HN 0.408 nan 8.230 nan 0.000 0.439 1398 M N 0.172 119.782 119.600 0.016 0.000 2.224 1398 M HA -0.111 4.369 4.480 -0.000 0.000 0.297 1398 M C 0.701 177.002 176.300 0.000 0.000 1.047 1398 M CA 0.345 55.649 55.300 0.006 0.000 1.125 1398 M CB -0.038 32.564 32.600 0.004 0.000 1.413 1398 M HN 0.118 nan 8.290 nan 0.000 0.431 1399 R N 1.665 122.164 120.500 -0.002 0.000 4.591 1399 R HA -0.158 4.182 4.340 -0.000 0.000 0.174 1399 R C -1.022 175.279 176.300 0.001 0.000 0.321 1399 R CA 0.118 56.216 56.100 -0.003 0.000 0.916 1399 R CB -0.873 29.422 30.300 -0.008 0.000 0.952 1399 R HN 0.671 nan 8.270 nan 0.000 0.264 1400 C N 4.418 123.718 119.300 0.000 0.000 2.738 1400 C HA 0.014 4.474 4.460 -0.000 0.000 0.390 1400 C C 1.316 176.317 174.990 0.019 0.000 1.311 1400 C CA -0.304 58.715 59.018 0.003 0.000 1.385 1400 C CB -1.978 25.758 27.740 -0.006 0.000 2.175 1400 C HN 0.663 nan 8.230 nan 0.000 0.607 1401 S N 2.363 118.091 115.700 0.047 0.000 2.601 1401 S HA 0.752 5.221 4.470 -0.000 0.000 0.271 1401 S C -0.438 174.286 174.600 0.206 0.000 1.305 1401 S CA -0.421 57.827 58.200 0.081 0.000 1.022 1401 S CB 0.442 63.702 63.200 0.100 0.000 0.940 1401 S HN 0.683 nan 8.310 nan 0.000 0.525 1402 F N -0.272 119.669 119.950 -0.015 0.000 2.182 1402 F HA -0.177 4.350 4.527 -0.001 0.000 0.320 1402 F C 1.232 177.010 175.800 -0.037 0.000 1.254 1402 F CA 0.605 58.592 58.000 -0.022 0.000 0.920 1402 F CB -0.236 38.745 39.000 -0.031 0.000 4.124 1402 F HN 0.850 nan 8.300 nan 0.000 0.152 1403 E N 0.346 120.641 120.200 0.159 0.000 2.516 1403 E HA -0.120 4.230 4.350 -0.000 0.000 0.199 1403 E C -0.193 176.437 176.600 0.050 0.000 1.069 1403 E CA 1.044 57.487 56.400 0.072 0.000 0.876 1403 E CB -0.119 29.610 29.700 0.049 0.000 0.843 1403 E HN 0.454 nan 8.360 nan 0.000 0.530 1404 E N 0.511 120.762 120.200 0.085 0.000 2.256 1404 E HA 0.135 4.485 4.350 -0.000 0.000 0.243 1404 E C -0.063 176.502 176.600 -0.057 0.000 0.925 1404 E CA -0.145 56.235 56.400 -0.032 0.000 0.748 1404 E CB 1.328 30.976 29.700 -0.088 0.000 1.206 1404 E HN -0.077 nan 8.360 nan 0.000 0.428 1405 T N 0.285 114.789 114.554 -0.084 0.000 3.009 1405 T HA -0.079 4.270 4.350 -0.000 0.000 0.258 1405 T C 2.008 176.569 174.700 -0.231 0.000 1.063 1405 T CA 0.270 62.302 62.100 -0.113 0.000 1.139 1405 T CB 0.183 69.004 68.868 -0.079 0.000 0.890 1405 T HN 0.164 nan 8.240 nan 0.000 0.471 1406 V N 2.059 121.786 119.914 -0.311 0.000 2.250 1406 V HA -0.275 3.845 4.120 -0.000 0.000 0.250 1406 V C 2.594 178.218 176.094 -0.782 0.000 1.060 1406 V CA 1.836 63.777 62.300 -0.599 0.000 1.030 1406 V CB -0.610 30.840 31.823 -0.622 0.000 0.643 1406 V HN 0.528 nan 8.190 nan 0.000 0.445 1407 E N -0.443 119.458 120.200 -0.498 0.000 2.058 1407 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 1407 E C 2.240 178.690 176.600 -0.250 0.000 0.997 1407 E CA 1.692 57.891 56.400 -0.334 0.000 0.801 1407 E CB -0.202 29.334 29.700 -0.272 0.000 0.746 1407 E HN 0.583 nan 8.360 nan 0.000 0.450 1408 I N 0.790 121.216 120.570 -0.239 0.000 2.226 1408 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 1408 I C 2.332 178.314 176.117 -0.224 0.000 1.100 1408 I CA 0.997 62.182 61.300 -0.193 0.000 1.374 1408 I CB -0.154 37.760 38.000 -0.144 0.000 1.057 1408 I HN 0.137 nan 8.210 nan 0.000 0.413 1409 L N -0.607 120.457 121.223 -0.265 0.000 2.109 1409 L HA -0.143 4.196 4.340 -0.000 0.000 0.207 1409 L C 2.426 179.271 176.870 -0.041 0.000 1.086 1409 L CA 1.210 55.891 54.840 -0.265 0.000 0.760 1409 L CB -0.496 41.429 42.059 -0.225 0.000 0.910 1409 L HN 0.133 nan 8.230 nan 0.000 0.437 1410 F N 0.267 120.124 119.950 -0.155 0.000 2.069 1410 F HA -0.247 4.280 4.527 -0.001 0.000 0.298 1410 F C 2.740 178.515 175.800 -0.043 0.000 1.113 1410 F CA 0.632 58.535 58.000 -0.162 0.000 1.214 1410 F CB -0.088 38.632 39.000 -0.467 0.000 0.978 1410 F HN 0.108 nan 8.300 nan 0.000 0.474 1411 E N 0.524 120.765 120.200 0.069 0.000 2.085 1411 E HA -0.224 4.125 4.350 -0.000 0.000 0.194 1411 E C 2.299 178.866 176.600 -0.055 0.000 0.994 1411 E CA 1.136 57.529 56.400 -0.012 0.000 0.801 1411 E CB -0.520 29.128 29.700 -0.086 0.000 0.743 1411 E HN 0.375 nan 8.360 nan 0.000 0.453 1412 A N 1.191 123.941 122.820 -0.116 0.000 1.972 1412 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 1412 A C 2.447 180.008 177.584 -0.038 0.000 1.169 1412 A CA 1.876 53.798 52.037 -0.191 0.000 0.635 1412 A CB -0.973 17.698 19.000 -0.549 0.000 0.810 1412 A HN 0.338 nan 8.150 nan 0.000 0.446 1413 G N -0.492 108.348 108.800 0.067 0.000 2.433 1413 G HA2 0.017 3.977 3.960 -0.000 0.000 0.216 1413 G HA3 0.017 3.977 3.960 -0.000 0.000 0.216 1413 G C 1.750 176.677 174.900 0.045 0.000 1.186 1413 G CA 1.340 46.532 45.100 0.153 0.000 0.779 1413 G HN 0.818 nan 8.290 nan 0.000 0.543 1414 A N 0.130 122.951 122.820 0.002 0.000 2.015 1414 A HA 0.163 4.483 4.320 -0.000 0.000 0.219 1414 A C 2.358 179.674 177.584 -0.447 0.000 1.163 1414 A CA 2.052 53.940 52.037 -0.248 0.000 0.646 1414 A CB -0.118 18.758 19.000 -0.206 0.000 0.806 1414 A HN 0.295 nan 8.150 nan 0.000 0.448 1415 S N -1.503 114.031 115.700 -0.278 0.000 2.539 1415 S HA 0.478 4.948 4.470 -0.000 0.000 0.221 1415 S C 0.758 175.292 174.600 -0.110 0.000 0.987 1415 S CA 0.410 58.447 58.200 -0.272 0.000 0.929 1415 S CB 0.244 63.304 63.200 -0.234 0.000 0.832 1415 S HN 1.615 nan 8.310 nan 0.000 0.492 1416 A N 2.083 124.880 122.820 -0.038 0.000 2.519 1416 A HA -0.212 4.108 4.320 -0.000 0.000 0.297 1416 A C 0.131 177.712 177.584 -0.004 0.000 1.472 1416 A CA 0.488 52.534 52.037 0.016 0.000 0.739 1416 A CB -1.878 17.174 19.000 0.086 0.000 1.096 1416 A HN 0.561 nan 8.150 nan 0.000 0.414 1417 E N -0.965 119.248 120.200 0.022 0.000 2.417 1417 E HA 0.220 4.570 4.350 -0.000 0.000 0.261 1417 E C -0.092 176.565 176.600 0.095 0.000 1.000 1417 E CA -0.272 56.145 56.400 0.028 0.000 0.919 1417 E CB 0.321 29.996 29.700 -0.042 0.000 0.955 1417 E HN 0.630 nan 8.360 nan 0.000 0.455 1418 L N 5.722 126.963 121.223 0.029 0.000 2.272 1418 L HA 0.254 4.593 4.340 -0.000 0.000 0.284 1418 L C -1.029 175.859 176.870 0.030 0.000 1.045 1418 L CA -0.352 54.484 54.840 -0.006 0.000 0.842 1418 L CB 0.909 42.938 42.059 -0.049 0.000 1.224 1418 L HN 0.327 nan 8.230 nan 0.000 0.430 1419 D N 2.670 123.113 120.400 0.072 0.000 2.348 1419 D HA 0.137 4.777 4.640 -0.000 0.000 0.253 1419 D C 0.409 176.718 176.300 0.015 0.000 1.161 1419 D CA 0.372 54.416 54.000 0.074 0.000 0.876 1419 D CB 1.204 42.097 40.800 0.155 0.000 1.160 1419 D HN 0.571 nan 8.370 nan 0.000 0.459 1420 D N 0.734 121.144 120.400 0.016 0.000 2.348 1420 D HA 0.018 4.658 4.640 -0.000 0.000 0.211 1420 D C 0.362 176.665 176.300 0.005 0.000 0.998 1420 D CA 0.098 54.101 54.000 0.005 0.000 0.873 1420 D CB 0.043 40.850 40.800 0.012 0.000 0.925 1420 D HN 0.405 nan 8.370 nan 0.000 0.524 1421 C N 1.136 120.442 119.300 0.009 0.000 4.167 1421 C HA -0.171 4.289 4.460 -0.000 0.000 0.302 1421 C C 1.248 176.240 174.990 0.005 0.000 1.384 1421 C CA -0.057 58.964 59.018 0.005 0.000 2.041 1421 C CB -2.311 25.424 27.740 -0.008 0.000 1.303 1421 C HN 0.446 nan 8.230 nan 0.000 0.718 1422 R N -0.036 120.471 120.500 0.011 0.000 2.432 1422 R HA 0.268 4.608 4.340 -0.000 0.000 0.260 1422 R C 1.275 177.575 176.300 0.001 0.000 0.935 1422 R CA 0.512 56.619 56.100 0.012 0.000 1.080 1422 R CB 0.550 30.869 30.300 0.031 0.000 1.155 1422 R HN 0.653 nan 8.270 nan 0.000 0.531 1423 G N -0.246 108.555 108.800 0.001 0.000 2.562 1423 G HA2 0.210 4.170 3.960 -0.000 0.000 0.275 1423 G HA3 0.210 4.170 3.960 -0.000 0.000 0.275 1423 G C 0.762 175.655 174.900 -0.012 0.000 1.196 1423 G CA -0.549 44.548 45.100 -0.004 0.000 0.908 1423 G HN -0.047 nan 8.290 nan 0.000 0.524 1424 V N 0.200 120.105 119.914 -0.016 0.000 3.307 1424 V HA -0.036 4.083 4.120 -0.000 0.000 0.253 1424 V C 2.527 178.612 176.094 -0.015 0.000 1.149 1424 V CA 1.785 64.073 62.300 -0.020 0.000 1.112 1424 V CB 0.362 32.170 31.823 -0.026 0.000 0.777 1424 V HN 0.689 nan 8.190 nan 0.000 0.464 1425 S N 0.167 115.861 115.700 -0.009 0.000 2.387 1425 S HA -0.074 4.395 4.470 -0.000 0.000 0.221 1425 S C 1.738 176.340 174.600 0.002 0.000 1.041 1425 S CA 0.734 58.932 58.200 -0.004 0.000 0.959 1425 S CB -0.231 62.967 63.200 -0.003 0.000 0.843 1425 S HN 0.697 nan 8.310 nan 0.000 0.488 1426 E N 2.756 122.961 120.200 0.008 0.000 2.086 1426 E HA -0.206 4.143 4.350 -0.000 0.000 0.200 1426 E C 1.587 178.191 176.600 0.006 0.000 1.012 1426 E CA 1.342 57.753 56.400 0.018 0.000 0.812 1426 E CB -0.532 29.182 29.700 0.024 0.000 0.743 1426 E HN 0.540 nan 8.360 nan 0.000 0.453 1427 N N 0.634 119.332 118.700 -0.003 0.000 2.331 1427 N HA -0.071 4.668 4.740 -0.000 0.000 0.180 1427 N C 2.010 177.513 175.510 -0.011 0.000 1.019 1427 N CA 0.725 53.768 53.050 -0.011 0.000 0.881 1427 N CB 0.177 38.653 38.487 -0.018 0.000 0.972 1427 N HN 0.004 nan 8.380 nan 0.000 0.435 1428 V N 2.239 122.148 119.914 -0.008 0.000 2.358 1428 V HA -0.163 3.956 4.120 -0.000 0.000 0.246 1428 V C 2.293 178.385 176.094 -0.002 0.000 1.047 1428 V CA 1.142 63.438 62.300 -0.007 0.000 1.035 1428 V CB -0.304 31.516 31.823 -0.006 0.000 0.658 1428 V HN 0.249 nan 8.190 nan 0.000 0.452 1429 I N -0.316 120.256 120.570 0.002 0.000 2.248 1429 I HA -0.273 3.896 4.170 -0.000 0.000 0.248 1429 I C 1.990 178.109 176.117 0.003 0.000 1.107 1429 I CA 1.721 63.026 61.300 0.007 0.000 1.373 1429 I CB -0.200 37.811 38.000 0.018 0.000 1.055 1429 I HN 0.296 nan 8.210 nan 0.000 0.418 1430 L N 0.083 121.305 121.223 -0.002 0.000 2.591 1430 L HA 0.189 4.529 4.340 -0.000 0.000 0.228 1430 L C 1.412 178.275 176.870 -0.013 0.000 1.133 1430 L CA 0.459 55.293 54.840 -0.009 0.000 0.880 1430 L CB -0.175 41.874 42.059 -0.015 0.000 1.033 1430 L HN 0.451 nan 8.230 nan 0.000 0.450 1431 G N 0.350 109.144 108.800 -0.010 0.000 2.160 1431 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.244 1431 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.244 1431 G C -0.006 174.884 174.900 -0.017 0.000 1.022 1431 G CA -0.064 45.029 45.100 -0.011 0.000 0.741 1431 G HN 0.463 nan 8.290 nan 0.000 0.508 1432 Q N -0.589 119.199 119.800 -0.020 0.000 2.399 1432 Q HA 0.732 5.072 4.340 -0.000 0.000 0.276 1432 Q C 0.687 176.669 176.000 -0.031 0.000 1.098 1432 Q CA -1.091 54.696 55.803 -0.027 0.000 0.827 1432 Q CB 1.586 30.307 28.738 -0.029 0.000 1.386 1432 Q HN 0.597 nan 8.270 nan 0.000 0.443 1433 M N -0.298 119.276 119.600 -0.043 0.000 2.288 1433 M HA 0.693 5.173 4.480 -0.000 0.000 0.334 1433 M C -0.367 175.900 176.300 -0.054 0.000 1.150 1433 M CA -0.595 54.675 55.300 -0.051 0.000 1.118 1433 M CB 0.943 33.503 32.600 -0.067 0.000 1.501 1433 M HN 0.634 nan 8.290 nan 0.000 0.462 1434 A N 3.062 125.852 122.820 -0.051 0.000 2.425 1434 A HA 0.449 4.769 4.320 -0.000 0.000 0.242 1434 A C -2.022 175.527 177.584 -0.058 0.000 1.077 1434 A CA -1.364 50.646 52.037 -0.045 0.000 0.781 1434 A CB -0.646 18.329 19.000 -0.040 0.000 1.020 1434 A HN 0.758 nan 8.150 nan 0.000 0.494 1435 P HA 0.152 nan 4.420 nan 0.000 0.246 1435 P C -0.550 176.728 177.300 -0.037 0.000 1.686 1435 P CA 0.203 63.281 63.100 -0.036 0.000 0.867 1435 P CB -1.023 30.680 31.700 0.004 0.000 1.733 1436 I N -4.020 116.516 120.570 -0.056 0.000 2.359 1436 I HA 0.693 4.863 4.170 -0.000 0.000 0.294 1436 I C 1.068 177.152 176.117 -0.056 0.000 0.987 1436 I CA -0.334 60.928 61.300 -0.063 0.000 1.225 1436 I CB 1.292 39.255 38.000 -0.062 0.000 1.366 1436 I HN 0.159 nan 8.210 nan 0.000 0.466 1437 G N 4.578 113.349 108.800 -0.048 0.000 2.698 1437 G HA2 -0.450 3.509 3.960 -0.000 0.000 0.337 1437 G HA3 -0.450 3.509 3.960 -0.000 0.000 0.337 1437 G C 0.960 175.908 174.900 0.080 0.000 1.196 1437 G CA 1.117 46.215 45.100 -0.004 0.000 0.965 1437 G HN 0.950 nan 8.290 nan 0.000 0.550 1438 T N 1.509 116.088 114.554 0.042 0.000 3.051 1438 T HA 0.238 4.587 4.350 -0.000 0.000 0.269 1438 T C 1.857 176.400 174.700 -0.262 0.000 1.127 1438 T CA 1.965 64.094 62.100 0.047 0.000 1.107 1438 T CB -0.633 68.251 68.868 0.026 0.000 0.898 1438 T HN 1.423 nan 8.240 nan 0.000 0.517 1439 G N -0.473 108.189 108.800 -0.230 0.000 3.605 1439 G HA2 0.517 4.477 3.960 -0.000 0.000 0.277 1439 G HA3 0.517 4.477 3.960 -0.000 0.000 0.277 1439 G C 0.766 175.506 174.900 -0.266 0.000 1.093 1439 G CA 0.301 45.209 45.100 -0.320 0.000 0.821 1439 G HN 0.444 nan 8.290 nan 0.000 0.532 1440 A N 0.368 123.083 122.820 -0.174 0.000 2.507 1440 A HA 0.699 5.019 4.320 -0.000 0.000 0.270 1440 A C 0.006 177.783 177.584 0.322 0.000 1.318 1440 A CA -0.382 51.708 52.037 0.089 0.000 0.924 1440 A CB -0.570 18.512 19.000 0.136 0.000 1.061 1440 A HN 0.695 nan 8.150 nan 0.000 0.516 1441 F N -3.814 116.205 119.950 0.115 0.000 2.741 1441 F HA 0.663 5.190 4.527 -0.000 0.000 0.311 1441 F C -1.664 174.156 175.800 0.033 0.000 1.149 1441 F CA -1.570 56.478 58.000 0.081 0.000 0.930 1441 F CB 0.573 39.631 39.000 0.097 0.000 1.312 1441 F HN -0.181 nan 8.300 nan 0.000 0.450 1442 D N 1.154 121.661 120.400 0.178 0.000 2.252 1442 D HA 0.586 5.226 4.640 -0.000 0.000 0.245 1442 D C -0.971 175.444 176.300 0.191 0.000 1.009 1442 D CA -0.353 53.688 54.000 0.069 0.000 0.870 1442 D CB 2.946 43.764 40.800 0.030 0.000 1.251 1442 D HN 0.449 nan 8.370 nan 0.000 0.460 1443 V N 2.493 122.478 119.914 0.118 0.000 2.532 1443 V HA 0.528 4.648 4.120 -0.000 0.000 0.295 1443 V C 0.133 176.266 176.094 0.066 0.000 1.041 1443 V CA -0.255 62.123 62.300 0.131 0.000 0.926 1443 V CB 1.433 33.335 31.823 0.131 0.000 0.992 1443 V HN 0.455 nan 8.190 nan 0.000 0.457 1444 M N 4.341 123.974 119.600 0.055 0.000 2.575 1444 M HA 0.574 5.054 4.480 -0.000 0.000 0.284 1444 M C -1.266 175.051 176.300 0.029 0.000 1.253 1444 M CA -0.527 54.793 55.300 0.034 0.000 0.861 1444 M CB 2.710 35.325 32.600 0.026 0.000 1.733 1444 M HN 0.331 nan 8.290 nan 0.000 0.462 1445 I N 1.399 121.983 120.570 0.023 0.000 2.322 1445 I HA 0.108 4.278 4.170 -0.000 0.000 0.292 1445 I C -0.175 175.952 176.117 0.016 0.000 1.060 1445 I CA -0.203 61.109 61.300 0.021 0.000 1.309 1445 I CB 0.227 38.240 38.000 0.021 0.000 1.415 1445 I HN 0.498 nan 8.210 nan 0.000 0.492 1446 D N 5.755 126.164 120.400 0.014 0.000 2.371 1446 D HA -0.001 4.638 4.640 -0.000 0.000 0.256 1446 D C -0.051 176.254 176.300 0.008 0.000 1.193 1446 D CA 0.025 54.031 54.000 0.009 0.000 0.881 1446 D CB 0.724 41.528 40.800 0.006 0.000 1.143 1446 D HN 0.314 nan 8.370 nan 0.000 0.473 1447 E N 3.249 123.453 120.200 0.007 0.000 1.998 1447 E HA 0.232 4.581 4.350 -0.000 0.000 0.257 1447 E C -0.195 176.408 176.600 0.004 0.000 1.038 1447 E CA 0.111 56.515 56.400 0.006 0.000 0.869 1447 E CB 0.200 29.904 29.700 0.007 0.000 1.135 1447 E HN 0.612 nan 8.360 nan 0.000 0.430 1448 E N 0.895 121.097 120.200 0.004 0.000 2.586 1448 E HA 0.093 4.443 4.350 -0.000 0.000 0.225 1448 E C -0.487 176.114 176.600 0.002 0.000 1.064 1448 E CA 0.019 56.420 56.400 0.002 0.000 1.695 1448 E CB 0.310 30.010 29.700 -0.000 0.000 2.917 1448 E HN 0.210 nan 8.360 nan 0.000 1.096 1449 S N 2.690 118.392 115.700 0.003 0.000 2.457 1449 S HA 0.192 4.662 4.470 -0.000 0.000 0.294 1449 S C 0.232 174.835 174.600 0.004 0.000 1.201 1449 S CA 0.125 58.326 58.200 0.003 0.000 1.112 1449 S CB 0.075 63.277 63.200 0.004 0.000 1.018 1449 S HN 0.109 nan 8.310 nan 0.000 0.511 1450 L N 0.000 121.225 121.223 0.003 0.000 2.949 1450 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 1450 L CA 0.000 54.842 54.840 0.004 0.000 0.813 1450 L CB 0.000 42.061 42.059 0.003 0.000 0.961 1450 L HN 0.000 nan 8.230 nan 0.000 0.502