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 2b63_1_A DATA FIRST_RESID 2 DATA SEQUENCE VGQQYSSAPL RTVKEVQFGL FSPEEVRAIS VAKIRFPETM DETQTRAKIG DATA SEQUENCE GLNDPRLGSI DRNLKcQTCQ EGMNEcPGHF GHIDLAKPVF HVGFIAKIKK DATA SEQUENCE VCECVCMHCG KLLLDEHNEL MRQALAIKDS KKRFAAIWTL CKTKMVCETD DATA SEQUENCE VPSEDDPTQL VSRGGCGNTQ PTIRKDGLKL VGSWKXXXXX XXXDEPELRV DATA SEQUENCE LSTEEILNIF KHISVKDFTS LGFNEVFSRP EWMILTCLPV PPPPVRPSIS DATA SEQUENCE FNESQRGEDD LTFKLADILK ANISLETLEH NGAPHHAIEE AESLLQFHVA DATA SEQUENCE TYMDNDIAGQ PQALQKSGRP VKSIRARLKG KEGRIRGNLM GKRVDFSART DATA SEQUENCE VISGDPNLEL DQVGVPKSIA KTLTYPEVVT PYNIDRLTQL VRNGPNEHPG DATA SEQUENCE AKYVIRDSGD RIDLRYSKRA GDIQLQYGWK VERHIMDNDP VLFNRQPSLH DATA SEQUENCE KMSMMAHRVK VIPYSTFRLN LSVTSPYNAD FDGDEMNLHV PQSEETRAEL DATA SEQUENCE SQLCAVPLQI VSPQSNKPCM GIVQDTLCGI RKLTLRDTFI ELDQVLNMLY DATA SEQUENCE WVPDWDGVIP TPAIIKPKPL WSGKQILSVA IPNGIHLQRF DEGTTLLSPK DATA SEQUENCE DNGMLIIDGQ IIFGVVEKKT VGSSNGGLIH VVTREKGPQV CAKLFGNIQK DATA SEQUENCE VVNFWLLHNG FSTGIGDTIA DGPTMREITE TIAEAKKKVL DVTKEAQANL DATA SEQUENCE LTAKHGMTLR ESFEDNVVRF LNEARDKAGR LAEVNLKDLN NVKQMVMAGS DATA SEQUENCE KGSFINIAQM SACVGQQSVE GKRIAFGFVD RTLPHFSKDD YSPESKGFVE DATA SEQUENCE NSYLRGLTPQ EFFFHAMGGR EGLIDTAVKT AETGYIQRRL VKALEDIMVH DATA SEQUENCE YDNTTRNSLG NVIQFIYGED GMDAAHIEKQ SLDTIGGSDA AFEKRYRVDL DATA SEQUENCE LNTDHTLDPS LLESGSEILG DLKLQVLLDE EYKQLVKDRK FLREVFVDGE DATA SEQUENCE ANWPLPVNIR RIIQNAQQTF HIDHTKPSDL TIKDIVLGVK DLQENLLVLR DATA SEQUENCE GKNEIIQNAQ RDAVTLFCCL LRSRLATRRV LQEYRLTKQA FDWVLSNIEA DATA SEQUENCE QFLRSVVHPG EMVGVLAAQS IGEPATQMTL XXXXXXXXXX KKVTSGVPRL DATA SEQUENCE KEILNVAKNM KTPSLTVYLE PGHAADQEQA KLIRSAIEHT TLKSVTIASE DATA SEQUENCE IYYDPDPRST VIPEDEEIIQ LHFSLXXXXX XXXXXQQSPW LLRLELDRAA DATA SEQUENCE MNDKDLTMGQ VGERIKQTFK NDLFVIWSED NDEKLIIRCR VVXXXXXXXX DATA SEQUENCE XXAEEDHMLK KIENTMLENI TLRGVENIER VVMMKYDRKV PSPTGEYVKE DATA SEQUENCE PEWVLETDGV NLSEVMTVPG IDPTRIYTNS FIDIMEVLGI EAGRAALYKE DATA SEQUENCE VYNVIASDGS YVNYRHMALL VDVMTTQGGL TSVTRHGFNR SNTGALMRCS DATA SEQUENCE FEETVEILFE AGASAELDDC RGVSENVILG QMAPIGTGAF DVMIDEESLV DATA SEQUENCE KYMP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.096 176.094 0.003 0.000 1.182 2 V CA 0.000 62.300 62.300 -0.000 0.000 1.235 2 V CB 0.000 31.821 31.823 -0.003 0.000 1.184 3 G N 3.953 112.754 108.800 0.001 0.000 2.545 3 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.195 3 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.195 3 G C 0.066 174.968 174.900 0.004 0.000 1.009 3 G CA 0.608 45.709 45.100 0.002 0.000 0.703 3 G HN 1.731 nan 8.290 nan 0.000 0.479 4 Q N -0.540 119.265 119.800 0.008 0.000 3.166 4 Q HA -0.070 4.270 4.340 -0.000 0.000 0.025 4 Q C -0.276 175.741 176.000 0.029 0.000 1.692 4 Q CA 0.872 56.682 55.803 0.012 0.000 0.233 4 Q CB -0.862 27.875 28.738 -0.002 0.000 1.400 4 Q HN 1.288 nan 8.270 nan 0.000 0.320 5 Q N -0.821 119.006 119.800 0.045 0.000 3.182 5 Q HA -0.173 4.167 4.340 -0.000 0.000 0.046 5 Q C -1.438 174.638 176.000 0.126 0.000 1.680 5 Q CA 0.363 56.209 55.803 0.071 0.000 0.262 5 Q CB -0.362 28.402 28.738 0.043 0.000 0.583 5 Q HN 0.531 nan 8.270 nan 0.000 0.322 6 Y N 2.444 122.743 120.300 -0.002 0.000 2.397 6 Y HA 0.403 4.953 4.550 -0.000 0.000 0.335 6 Y C 0.009 175.911 175.900 0.002 0.000 1.213 6 Y CA 0.272 58.372 58.100 0.001 0.000 1.391 6 Y CB 1.027 39.489 38.460 0.002 0.000 1.293 6 Y HN 0.439 nan 8.280 nan 0.000 0.557 7 S N 2.111 117.578 115.700 -0.389 0.000 2.707 7 S HA 0.274 4.744 4.470 -0.000 0.000 0.303 7 S C 0.130 174.272 174.600 -0.763 0.000 1.132 7 S CA -0.255 57.673 58.200 -0.452 0.000 1.046 7 S CB 0.797 63.897 63.200 -0.166 0.000 1.004 7 S HN 0.784 nan 8.310 nan 0.000 0.483 8 S N 1.843 117.094 115.700 -0.748 0.000 2.711 8 S HA 0.256 4.726 4.470 -0.000 0.000 0.237 8 S C 0.821 175.288 174.600 -0.222 0.000 0.971 8 S CA -0.038 57.849 58.200 -0.523 0.000 0.964 8 S CB -0.780 62.243 63.200 -0.295 0.000 0.775 8 S HN 1.188 nan 8.310 nan 0.000 0.540 9 A N 2.710 125.418 122.820 -0.188 0.000 2.279 9 A HA 0.723 5.043 4.320 -0.000 0.000 0.303 9 A C -1.533 176.029 177.584 -0.036 0.000 1.108 9 A CA -1.715 50.271 52.037 -0.084 0.000 0.830 9 A CB 0.112 19.070 19.000 -0.069 0.000 1.106 9 A HN 0.439 nan 8.150 nan 0.000 0.493 10 P HA 0.516 nan 4.420 nan 0.000 0.279 10 P C -1.151 176.153 177.300 0.006 0.000 1.276 10 P CA -0.383 62.721 63.100 0.007 0.000 0.801 10 P CB 1.023 32.726 31.700 0.006 0.000 1.127 11 L N -0.278 120.953 121.223 0.014 0.000 2.438 11 L HA 0.611 4.951 4.340 -0.000 0.000 0.270 11 L C -0.618 176.256 176.870 0.007 0.000 0.972 11 L CA -0.575 54.271 54.840 0.010 0.000 0.831 11 L CB 1.868 43.938 42.059 0.019 0.000 1.273 11 L HN 0.355 nan 8.230 nan 0.000 0.405 12 R N 1.495 121.995 120.500 -0.000 0.000 2.922 12 R HA 0.690 5.030 4.340 -0.000 0.000 0.256 12 R C -0.728 175.568 176.300 -0.008 0.000 1.138 12 R CA -0.454 55.645 56.100 -0.003 0.000 0.995 12 R CB 2.118 32.415 30.300 -0.005 0.000 1.226 12 R HN 0.767 nan 8.270 nan 0.000 0.481 13 T N -2.336 112.212 114.554 -0.011 0.000 2.937 13 T HA 0.523 4.873 4.350 -0.000 0.000 0.283 13 T C -0.042 174.644 174.700 -0.024 0.000 1.012 13 T CA -0.702 61.388 62.100 -0.017 0.000 0.997 13 T CB 1.233 70.091 68.868 -0.017 0.000 1.136 13 T HN 0.120 nan 8.240 nan 0.000 0.551 14 V N 1.842 121.738 119.914 -0.031 0.000 2.481 14 V HA 0.396 4.516 4.120 -0.000 0.000 0.286 14 V C 0.758 176.826 176.094 -0.044 0.000 1.042 14 V CA -0.427 61.847 62.300 -0.042 0.000 0.928 14 V CB 1.322 33.115 31.823 -0.051 0.000 0.986 14 V HN 0.960 nan 8.190 nan 0.000 0.462 15 K N 2.200 122.571 120.400 -0.048 0.000 2.462 15 K HA 0.343 4.663 4.320 -0.000 0.000 0.201 15 K C 0.007 176.571 176.600 -0.060 0.000 1.268 15 K CA 0.022 56.282 56.287 -0.044 0.000 0.933 15 K CB 1.160 33.642 32.500 -0.029 0.000 1.162 15 K HN 0.637 nan 8.250 nan 0.000 0.527 16 E N 1.364 121.517 120.200 -0.078 0.000 2.266 16 E HA 0.350 4.700 4.350 -0.000 0.000 0.268 16 E C -1.399 175.100 176.600 -0.168 0.000 0.879 16 E CA -0.672 55.665 56.400 -0.106 0.000 0.762 16 E CB 3.161 32.814 29.700 -0.078 0.000 1.199 16 E HN -0.218 nan 8.360 nan 0.000 0.422 17 V N 3.184 122.946 119.914 -0.254 0.000 2.349 17 V HA 0.154 4.274 4.120 -0.000 0.000 0.284 17 V C -0.411 175.358 176.094 -0.542 0.000 1.014 17 V CA -0.810 61.241 62.300 -0.415 0.000 0.826 17 V CB 1.384 32.879 31.823 -0.547 0.000 1.009 17 V HN 0.574 nan 8.190 nan 0.000 0.431 18 Q N 4.173 123.698 119.800 -0.458 0.000 2.377 18 Q HA 0.439 4.779 4.340 -0.000 0.000 0.249 18 Q C -0.680 175.034 176.000 -0.476 0.000 1.005 18 Q CA 0.004 55.531 55.803 -0.459 0.000 0.912 18 Q CB 0.982 29.406 28.738 -0.523 0.000 1.223 18 Q HN 0.631 nan 8.270 nan 0.000 0.459 19 F N 0.655 120.463 119.950 -0.237 0.000 2.399 19 F HA 0.579 5.106 4.527 -0.000 0.000 0.342 19 F C 1.261 176.920 175.800 -0.235 0.000 1.106 19 F CA -0.126 57.750 58.000 -0.206 0.000 1.196 19 F CB 1.510 40.448 39.000 -0.104 0.000 1.163 19 F HN 0.529 nan 8.300 nan 0.000 0.547 20 G N 2.501 111.296 108.800 -0.008 0.000 2.619 20 G HA2 0.606 4.566 3.960 -0.000 0.000 0.305 20 G HA3 0.606 4.566 3.960 -0.000 0.000 0.305 20 G C -1.920 172.924 174.900 -0.094 0.000 1.330 20 G CA -0.947 44.108 45.100 -0.074 0.000 0.789 20 G HN 0.492 nan 8.290 nan 0.000 0.487 21 L N -0.415 120.733 121.223 -0.124 0.000 2.319 21 L HA 0.588 4.928 4.340 -0.000 0.000 0.267 21 L C -0.779 175.850 176.870 -0.402 0.000 1.011 21 L CA -0.857 53.911 54.840 -0.120 0.000 0.818 21 L CB 2.333 44.457 42.059 0.109 0.000 1.316 21 L HN 0.440 nan 8.230 nan 0.000 0.432 22 F N 0.443 120.204 119.950 -0.315 0.000 2.427 22 F HA 0.174 4.701 4.527 -0.000 0.000 0.352 22 F C 0.536 175.929 175.800 -0.679 0.000 1.100 22 F CA -0.188 57.565 58.000 -0.413 0.000 1.191 22 F CB 1.495 40.358 39.000 -0.229 0.000 1.128 22 F HN 0.418 nan 8.300 nan 0.000 0.533 23 S N 6.660 122.097 115.700 -0.437 0.000 2.452 23 S HA 0.128 4.598 4.470 -0.000 0.000 0.284 23 S C -1.463 173.209 174.600 0.121 0.000 1.171 23 S CA -1.223 56.764 58.200 -0.355 0.000 1.064 23 S CB 1.159 64.309 63.200 -0.084 0.000 0.967 23 S HN 0.487 nan 8.310 nan 0.000 0.484 24 P HA -0.229 nan 4.420 nan 0.000 0.218 24 P C 0.658 178.036 177.300 0.128 0.000 1.147 24 P CA 1.431 64.631 63.100 0.167 0.000 0.827 24 P CB 0.302 32.124 31.700 0.203 0.000 0.778 25 E N -0.027 120.278 120.200 0.175 0.000 2.072 25 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 25 E C 2.259 178.903 176.600 0.073 0.000 0.985 25 E CA 1.069 57.544 56.400 0.126 0.000 0.801 25 E CB -0.569 29.228 29.700 0.161 0.000 0.750 25 E HN 0.439 nan 8.360 nan 0.000 0.452 26 E N 0.299 120.551 120.200 0.087 0.000 2.015 26 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 26 E C 2.032 178.602 176.600 -0.049 0.000 0.991 26 E CA 1.352 57.796 56.400 0.074 0.000 0.802 26 E CB 0.007 29.825 29.700 0.196 0.000 0.759 26 E HN 0.024 nan 8.360 nan 0.000 0.447 27 V N 1.318 121.122 119.914 -0.183 0.000 2.277 27 V HA -0.382 3.738 4.120 -0.000 0.000 0.255 27 V C 2.504 178.469 176.094 -0.216 0.000 1.074 27 V CA 2.498 64.573 62.300 -0.375 0.000 1.058 27 V CB -0.632 31.000 31.823 -0.319 0.000 0.656 27 V HN 0.305 nan 8.190 nan 0.000 0.449 28 R N -0.504 119.911 120.500 -0.141 0.000 2.073 28 R HA -0.109 4.231 4.340 -0.000 0.000 0.234 28 R C 2.480 178.645 176.300 -0.224 0.000 1.134 28 R CA 1.436 57.385 56.100 -0.251 0.000 0.952 28 R CB -0.638 29.605 30.300 -0.095 0.000 0.850 28 R HN 0.567 nan 8.270 nan 0.000 0.433 29 A N 1.648 124.404 122.820 -0.106 0.000 1.873 29 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 29 A C 2.064 179.607 177.584 -0.069 0.000 1.193 29 A CA 1.462 53.462 52.037 -0.063 0.000 0.629 29 A CB -0.513 18.481 19.000 -0.010 0.000 0.826 29 A HN 0.117 nan 8.150 nan 0.000 0.447 30 I N 0.095 120.620 120.570 -0.074 0.000 2.127 30 I HA -0.127 4.043 4.170 -0.000 0.000 0.241 30 I C 1.811 177.916 176.117 -0.021 0.000 1.075 30 I CA 1.176 62.450 61.300 -0.043 0.000 1.334 30 I CB -1.941 36.008 38.000 -0.085 0.000 1.040 30 I HN 0.346 nan 8.210 nan 0.000 0.405 31 S N 0.399 116.061 115.700 -0.063 0.000 2.555 31 S HA 0.040 4.510 4.470 -0.000 0.000 0.264 31 S C 0.832 175.423 174.600 -0.015 0.000 1.378 31 S CA 0.849 59.037 58.200 -0.021 0.000 0.996 31 S CB 0.610 63.729 63.200 -0.135 0.000 0.869 31 S HN 0.283 nan 8.310 nan 0.000 0.546 32 V N -0.714 119.220 119.914 0.033 0.000 3.537 32 V HA 0.751 4.871 4.120 -0.000 0.000 0.315 32 V C -0.152 175.968 176.094 0.043 0.000 1.541 32 V CA 0.122 62.434 62.300 0.019 0.000 1.160 32 V CB -0.431 31.397 31.823 0.010 0.000 0.998 32 V HN 0.999 nan 8.190 nan 0.000 0.473 33 A N 0.395 123.268 122.820 0.088 0.000 2.427 33 A HA 0.861 5.181 4.320 -0.000 0.000 0.298 33 A C 0.300 178.013 177.584 0.216 0.000 1.036 33 A CA -0.467 51.638 52.037 0.113 0.000 0.701 33 A CB 2.099 21.149 19.000 0.084 0.000 1.250 33 A HN 0.007 nan 8.150 nan 0.000 0.412 34 K N 1.154 121.658 120.400 0.173 0.000 2.007 34 K HA 0.228 4.548 4.320 -0.000 0.000 0.206 34 K C 0.353 176.990 176.600 0.060 0.000 1.047 34 K CA 1.203 57.592 56.287 0.170 0.000 0.937 34 K CB -0.474 32.105 32.500 0.132 0.000 0.718 34 K HN 0.880 nan 8.250 nan 0.000 0.438 35 I N 1.148 121.769 120.570 0.085 0.000 7.322 35 I HA -0.337 3.833 4.170 -0.000 0.000 0.126 35 I C 0.245 176.408 176.117 0.077 0.000 1.835 35 I CA 0.182 61.526 61.300 0.073 0.000 2.047 35 I CB -0.676 37.340 38.000 0.028 0.000 3.627 35 I HN 0.243 nan 8.210 nan 0.000 0.172 36 R N 2.139 122.767 120.500 0.213 0.000 2.373 36 R HA 0.309 4.649 4.340 -0.000 0.000 0.221 36 R C -0.183 176.159 176.300 0.069 0.000 0.893 36 R CA 0.313 56.489 56.100 0.126 0.000 1.049 36 R CB 0.498 30.860 30.300 0.103 0.000 1.119 36 R HN 0.237 nan 8.270 nan 0.000 0.535 37 F N 1.393 121.331 119.950 -0.019 0.000 2.450 37 F HA 0.343 4.870 4.527 -0.000 0.000 0.332 37 F C -1.406 174.388 175.800 -0.010 0.000 1.093 37 F CA -3.077 54.915 58.000 -0.013 0.000 1.003 37 F CB 1.270 40.267 39.000 -0.006 0.000 1.151 37 F HN -0.227 nan 8.300 nan 0.000 0.474 38 P HA -0.025 nan 4.420 nan 0.000 0.231 38 P C -0.279 177.082 177.300 0.101 0.000 1.168 38 P CA 0.618 63.771 63.100 0.087 0.000 0.779 38 P CB 0.400 32.122 31.700 0.037 0.000 0.844 39 E N -0.231 120.049 120.200 0.133 0.000 2.409 39 E HA 0.068 4.418 4.350 -0.000 0.000 0.257 39 E C 0.897 177.548 176.600 0.085 0.000 1.150 39 E CA 0.191 56.654 56.400 0.104 0.000 0.942 39 E CB 0.343 30.108 29.700 0.108 0.000 0.979 39 E HN -0.018 nan 8.360 nan 0.000 0.447 40 T N 0.906 115.505 114.554 0.075 0.000 2.755 40 T HA -0.041 4.309 4.350 -0.000 0.000 0.251 40 T C 1.306 176.015 174.700 0.015 0.000 1.044 40 T CA 1.500 63.632 62.100 0.054 0.000 1.154 40 T CB 0.087 68.993 68.868 0.064 0.000 0.866 40 T HN 0.535 nan 8.240 nan 0.000 0.416 41 M N -0.902 118.704 119.600 0.010 0.000 1.897 41 M HA 0.354 4.834 4.480 -0.000 0.000 0.193 41 M C -1.211 175.080 176.300 -0.015 0.000 2.097 41 M CA -0.584 54.706 55.300 -0.016 0.000 0.920 41 M CB -0.013 32.577 32.600 -0.016 0.000 1.698 41 M HN -0.354 nan 8.290 nan 0.000 0.639 42 D N 4.238 124.636 120.400 -0.004 0.000 6.046 42 D HA -0.126 4.514 4.640 -0.000 0.000 0.178 42 D C -0.743 175.552 176.300 -0.008 0.000 1.205 42 D CA 0.941 54.941 54.000 0.000 0.000 0.863 42 D CB -0.213 40.596 40.800 0.015 0.000 1.299 42 D HN 0.491 nan 8.370 nan 0.000 0.724 43 E N 1.065 121.253 120.200 -0.020 0.000 2.053 43 E HA 0.061 4.411 4.350 -0.000 0.000 0.297 43 E C 0.176 176.770 176.600 -0.010 0.000 1.173 43 E CA -0.067 56.317 56.400 -0.027 0.000 1.219 43 E CB -0.221 29.457 29.700 -0.036 0.000 1.103 43 E HN 0.245 nan 8.360 nan 0.000 0.476 44 T N 2.199 116.754 114.554 0.002 0.000 3.803 44 T HA -0.243 4.107 4.350 -0.000 0.000 0.386 44 T C 0.608 175.313 174.700 0.008 0.000 0.761 44 T CA 0.896 63.002 62.100 0.009 0.000 2.046 44 T CB -1.390 67.483 68.868 0.009 0.000 1.764 44 T HN 0.802 nan 8.240 nan 0.000 0.798 45 Q N -2.667 117.139 119.800 0.010 0.000 2.963 45 Q HA -0.207 4.133 4.340 -0.000 0.000 0.171 45 Q C 0.592 176.596 176.000 0.006 0.000 1.703 45 Q CA 2.058 57.868 55.803 0.011 0.000 1.023 45 Q CB -1.842 26.903 28.738 0.012 0.000 0.933 45 Q HN 0.762 nan 8.270 nan 0.000 0.964 46 T N 2.055 116.610 114.554 0.001 0.000 2.937 46 T HA 0.153 4.502 4.350 -0.000 0.000 0.316 46 T C 0.269 174.966 174.700 -0.005 0.000 1.079 46 T CA 0.221 62.319 62.100 -0.003 0.000 1.131 46 T CB 0.410 69.273 68.868 -0.007 0.000 1.000 46 T HN 0.124 nan 8.240 nan 0.000 0.549 47 R N 1.531 122.027 120.500 -0.006 0.000 2.229 47 R HA 0.629 4.969 4.340 -0.000 0.000 0.328 47 R C 0.208 176.499 176.300 -0.014 0.000 1.009 47 R CA -0.322 55.773 56.100 -0.008 0.000 0.864 47 R CB 1.099 31.397 30.300 -0.004 0.000 1.085 47 R HN 0.811 nan 8.270 nan 0.000 0.453 48 A N 2.945 125.753 122.820 -0.019 0.000 5.060 48 A HA 0.340 4.660 4.320 -0.000 0.000 0.103 48 A C -1.489 176.077 177.584 -0.030 0.000 1.202 48 A CA -0.735 51.287 52.037 -0.025 0.000 1.687 48 A CB 0.790 19.773 19.000 -0.028 0.000 2.245 48 A HN 0.493 nan 8.150 nan 0.000 1.033 49 K N 0.010 120.385 120.400 -0.041 0.000 2.543 49 K HA 0.636 4.956 4.320 -0.000 0.000 0.255 49 K C -1.517 175.034 176.600 -0.082 0.000 0.934 49 K CA -0.383 55.874 56.287 -0.051 0.000 0.810 49 K CB 2.296 34.770 32.500 -0.044 0.000 1.315 49 K HN 0.530 nan 8.250 nan 0.000 0.433 50 I N 1.170 121.672 120.570 -0.113 0.000 2.472 50 I HA 0.123 4.293 4.170 -0.000 0.000 0.290 50 I C 1.317 177.304 176.117 -0.217 0.000 1.016 50 I CA -0.210 60.967 61.300 -0.204 0.000 1.348 50 I CB 1.167 38.981 38.000 -0.309 0.000 1.417 50 I HN 0.866 nan 8.210 nan 0.000 0.521 51 G N 4.265 112.921 108.800 -0.240 0.000 2.990 51 G HA2 0.220 4.180 3.960 -0.000 0.000 0.256 51 G HA3 0.220 4.180 3.960 -0.000 0.000 0.256 51 G C 0.649 175.419 174.900 -0.216 0.000 0.798 51 G CA 0.414 45.412 45.100 -0.171 0.000 2.012 51 G HN 0.971 nan 8.290 nan 0.000 0.598 52 G N -0.114 108.566 108.800 -0.200 0.000 2.446 52 G HA2 0.410 4.369 3.960 -0.000 0.000 0.200 52 G HA3 0.410 4.369 3.960 -0.000 0.000 0.200 52 G C 0.328 175.251 174.900 0.039 0.000 1.707 52 G CA -0.212 44.844 45.100 -0.074 0.000 0.697 52 G HN 0.403 nan 8.290 nan 0.000 0.675 53 L N 0.578 121.816 121.223 0.024 0.000 2.491 53 L HA 0.381 4.721 4.340 -0.000 0.000 0.264 53 L C 0.038 176.908 176.870 0.000 0.000 1.053 53 L CA -0.698 54.159 54.840 0.028 0.000 0.858 53 L CB 1.041 43.127 42.059 0.045 0.000 1.519 53 L HN 0.621 nan 8.230 nan 0.000 0.508 54 N N 1.048 119.745 118.700 -0.006 0.000 1.874 54 N HA -0.233 4.507 4.740 -0.000 0.000 0.333 54 N C -0.638 174.860 175.510 -0.021 0.000 1.214 54 N CA 1.237 54.275 53.050 -0.020 0.000 0.856 54 N CB -0.538 37.931 38.487 -0.030 0.000 1.109 54 N HN 0.688 nan 8.380 nan 0.000 0.525 55 D N -0.240 120.151 120.400 -0.015 0.000 2.909 55 D HA -0.066 4.574 4.640 -0.000 0.000 0.215 55 D C -2.285 174.004 176.300 -0.018 0.000 1.045 55 D CA 0.156 54.149 54.000 -0.012 0.000 0.797 55 D CB -0.825 39.966 40.800 -0.016 0.000 1.048 55 D HN 0.539 nan 8.370 nan 0.000 0.443 56 P HA 0.237 nan 4.420 nan 0.000 0.255 56 P C 0.358 177.655 177.300 -0.004 0.000 1.301 56 P CA 0.396 63.487 63.100 -0.014 0.000 0.817 56 P CB 0.390 32.097 31.700 0.011 0.000 1.259 57 R N -4.585 115.914 120.500 -0.002 0.000 1.988 57 R HA -0.006 4.334 4.340 -0.000 0.000 0.178 57 R C 0.722 177.030 176.300 0.014 0.000 0.550 57 R CA -0.083 56.014 56.100 -0.005 0.000 1.997 57 R CB -1.314 28.979 30.300 -0.010 0.000 1.154 57 R HN 0.086 nan 8.270 nan 0.000 0.503 58 L N 0.673 121.919 121.223 0.039 0.000 2.172 58 L HA 0.056 4.396 4.340 -0.000 0.000 0.176 58 L C 1.940 178.876 176.870 0.111 0.000 0.986 58 L CA 0.923 55.813 54.840 0.084 0.000 0.936 58 L CB -0.571 41.507 42.059 0.031 0.000 1.222 58 L HN 0.209 nan 8.230 nan 0.000 0.542 59 G N -1.072 107.788 108.800 0.101 0.000 2.332 59 G HA2 0.186 4.146 3.960 -0.000 0.000 0.311 59 G HA3 0.186 4.146 3.960 -0.000 0.000 0.311 59 G C -0.179 174.747 174.900 0.043 0.000 1.392 59 G CA 0.329 45.481 45.100 0.087 0.000 1.110 59 G HN 0.562 nan 8.290 nan 0.000 0.594 60 S N -2.340 113.371 115.700 0.018 0.000 2.618 60 S HA 0.695 5.165 4.470 -0.000 0.000 0.277 60 S C -0.511 174.079 174.600 -0.016 0.000 1.138 60 S CA -0.925 57.276 58.200 0.001 0.000 0.844 60 S CB 1.136 64.341 63.200 0.008 0.000 1.127 60 S HN 0.407 nan 8.310 nan 0.000 0.474 61 I N 0.837 121.395 120.570 -0.021 0.000 4.162 61 I HA 0.514 4.684 4.170 -0.000 0.000 0.236 61 I C 0.722 176.824 176.117 -0.025 0.000 1.052 61 I CA -0.359 60.923 61.300 -0.030 0.000 1.457 61 I CB -0.308 37.670 38.000 -0.037 0.000 1.329 61 I HN 0.822 nan 8.210 nan 0.000 0.422 62 D N 1.122 121.505 120.400 -0.028 0.000 2.964 62 D HA -0.245 4.395 4.640 -0.000 0.000 0.226 62 D C 0.087 176.376 176.300 -0.019 0.000 1.187 62 D CA 1.010 54.996 54.000 -0.023 0.000 0.787 62 D CB -0.302 40.486 40.800 -0.020 0.000 1.085 62 D HN 0.519 nan 8.370 nan 0.000 0.413 63 R N -1.202 119.287 120.500 -0.019 0.000 3.267 63 R HA -0.189 4.151 4.340 -0.000 0.000 0.254 63 R C -0.696 175.597 176.300 -0.011 0.000 0.993 63 R CA 0.669 56.760 56.100 -0.015 0.000 0.670 63 R CB -1.613 28.679 30.300 -0.014 0.000 1.125 63 R HN 0.224 nan 8.270 nan 0.000 0.434 64 N N 0.551 119.245 118.700 -0.010 0.000 2.296 64 N HA 0.279 5.019 4.740 -0.000 0.000 0.294 64 N C 1.369 176.876 175.510 -0.004 0.000 1.033 64 N CA -0.711 52.335 53.050 -0.008 0.000 0.839 64 N CB 1.358 39.839 38.487 -0.010 0.000 1.395 64 N HN -0.036 nan 8.380 nan 0.000 0.479 65 L N 1.542 122.763 121.223 -0.003 0.000 2.056 65 L HA -0.263 4.077 4.340 -0.000 0.000 0.245 65 L C 0.478 177.350 176.870 0.003 0.000 1.099 65 L CA 1.471 56.312 54.840 0.000 0.000 0.840 65 L CB -0.653 41.405 42.059 -0.002 0.000 0.929 65 L HN 0.544 nan 8.230 nan 0.000 0.440 66 K N -0.538 119.860 120.400 -0.003 0.000 2.371 66 K HA -0.249 4.071 4.320 -0.000 0.000 0.242 66 K C -0.304 176.298 176.600 0.003 0.000 1.060 66 K CA 0.453 56.736 56.287 -0.007 0.000 1.136 66 K CB -0.451 32.042 32.500 -0.012 0.000 0.721 66 K HN 0.455 nan 8.250 nan 0.000 0.481 67 c N 3.727 122.324 118.600 -0.005 0.000 3.177 67 c HA 0.127 4.697 4.570 -0.000 0.000 0.264 67 c C -0.771 173.256 174.090 -0.105 0.000 2.151 67 c CA -0.219 56.117 56.329 0.012 0.000 1.254 67 c CB -0.921 41.649 42.510 0.100 0.000 2.264 67 c HN 1.027 nan 8.230 nan 0.000 0.571 68 Q N 0.442 120.188 119.800 -0.090 0.000 2.430 68 Q HA -0.155 4.185 4.340 -0.000 0.000 0.307 68 Q C 0.910 176.856 176.000 -0.090 0.000 1.434 68 Q CA 0.860 56.596 55.803 -0.112 0.000 0.762 68 Q CB -1.563 27.054 28.738 -0.202 0.000 1.093 68 Q HN 0.806 nan 8.270 nan 0.000 0.370 69 T N -3.093 111.429 114.554 -0.053 0.000 10.123 69 T HA -0.423 3.927 4.350 -0.000 0.000 0.405 69 T C 1.348 176.029 174.700 -0.032 0.000 1.550 69 T CA 1.779 63.858 62.100 -0.036 0.000 2.509 69 T CB -1.732 67.116 68.868 -0.034 0.000 2.883 69 T HN 0.984 nan 8.240 nan 0.000 1.132 70 C N 3.475 122.747 119.300 -0.047 0.000 2.409 70 C HA -0.053 4.407 4.460 -0.000 0.000 0.305 70 C C 2.150 177.143 174.990 0.005 0.000 1.488 70 C CA 1.160 60.163 59.018 -0.025 0.000 1.765 70 C CB -2.195 25.518 27.740 -0.045 0.000 1.649 70 C HN 0.862 nan 8.230 nan 0.000 0.581 71 Q N 0.259 120.059 119.800 -0.001 0.000 2.543 71 Q HA -0.436 3.904 4.340 -0.000 0.000 0.473 71 Q C 0.967 176.978 176.000 0.018 0.000 0.594 71 Q CA 2.402 58.209 55.803 0.007 0.000 0.955 71 Q CB -1.109 27.630 28.738 0.001 0.000 2.600 71 Q HN 0.567 nan 8.270 nan 0.000 1.052 72 E N -1.247 118.961 120.200 0.013 0.000 5.150 72 E HA -0.278 4.072 4.350 -0.000 0.000 0.167 72 E C 0.811 177.418 176.600 0.012 0.000 1.196 72 E CA 2.501 58.909 56.400 0.014 0.000 2.189 72 E CB -2.018 27.695 29.700 0.021 0.000 1.820 72 E HN 1.698 nan 8.360 nan 0.000 0.420 73 G N 0.809 109.619 108.800 0.016 0.000 2.850 73 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.686 73 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.686 73 G C 0.830 175.733 174.900 0.005 0.000 1.164 73 G CA 0.982 46.088 45.100 0.010 0.000 0.826 73 G HN 0.210 nan 8.290 nan 0.000 0.586 74 M N 0.272 119.872 119.600 0.001 0.000 2.843 74 M HA -0.364 4.116 4.480 -0.000 0.000 0.280 74 M C 1.523 177.817 176.300 -0.010 0.000 0.560 74 M CA 2.647 57.942 55.300 -0.009 0.000 0.826 74 M CB -0.800 31.792 32.600 -0.015 0.000 1.724 74 M HN 0.747 nan 8.290 nan 0.000 0.483 75 N N 0.782 119.477 118.700 -0.009 0.000 2.739 75 N HA 0.122 4.862 4.740 -0.000 0.000 0.266 75 N C 0.114 175.621 175.510 -0.004 0.000 1.168 75 N CA 0.953 53.997 53.050 -0.009 0.000 1.055 75 N CB 0.807 39.288 38.487 -0.010 0.000 1.393 75 N HN 0.522 nan 8.380 nan 0.000 0.514 76 E N 0.717 120.915 120.200 -0.003 0.000 1.129 76 E HA -0.104 4.246 4.350 -0.000 0.000 0.207 76 E C -0.948 175.657 176.600 0.008 0.000 1.044 76 E CA -0.083 56.319 56.400 0.003 0.000 0.923 76 E CB -1.064 28.641 29.700 0.009 0.000 4.876 76 E HN 0.333 nan 8.360 nan 0.000 0.599 77 c N 5.367 123.975 118.600 0.014 0.000 2.252 77 c HA 0.562 5.132 4.570 -0.000 0.000 0.342 77 c C -1.579 172.478 174.090 -0.055 0.000 1.110 77 c CA -1.565 54.782 56.329 0.029 0.000 1.581 77 c CB -0.749 41.815 42.510 0.090 0.000 2.087 77 c HN 0.317 nan 8.230 nan 0.000 0.500 78 P HA 0.238 nan 4.420 nan 0.000 0.285 78 P C 0.385 177.487 177.300 -0.329 0.000 1.282 78 P CA 0.217 63.227 63.100 -0.150 0.000 0.778 78 P CB 0.461 32.098 31.700 -0.105 0.000 1.222 79 G N -1.144 107.493 108.800 -0.272 0.000 2.572 79 G HA2 0.287 4.247 3.960 -0.000 0.000 0.261 79 G HA3 0.287 4.247 3.960 -0.000 0.000 0.261 79 G C -0.614 173.982 174.900 -0.507 0.000 1.197 79 G CA -0.266 44.630 45.100 -0.341 0.000 0.870 79 G HN 0.568 nan 8.290 nan 0.000 0.548 80 H N 0.626 119.719 119.070 0.039 0.000 2.860 80 H HA 0.238 4.794 4.556 -0.000 0.000 0.312 80 H C -0.527 174.857 175.328 0.093 0.000 0.995 80 H CA -0.771 55.334 56.048 0.095 0.000 1.311 80 H CB 0.856 30.647 29.762 0.049 0.000 1.478 80 H HN 0.263 nan 8.280 nan 0.000 0.508 81 F N 1.386 121.379 119.950 0.072 0.000 2.626 81 F HA 0.261 4.788 4.527 -0.000 0.000 0.354 81 F C 1.517 177.340 175.800 0.037 0.000 1.168 81 F CA 1.144 59.162 58.000 0.031 0.000 1.368 81 F CB 0.716 39.708 39.000 -0.013 0.000 1.092 81 F HN 0.553 nan 8.300 nan 0.000 0.612 82 G N 0.492 109.388 108.800 0.161 0.000 2.630 82 G HA2 0.612 4.572 3.960 -0.000 0.000 0.296 82 G HA3 0.612 4.572 3.960 -0.000 0.000 0.296 82 G C -1.743 173.293 174.900 0.226 0.000 1.285 82 G CA -0.727 44.469 45.100 0.160 0.000 0.958 82 G HN 0.870 nan 8.290 nan 0.000 0.479 83 H N -2.019 117.070 119.070 0.032 0.000 2.906 83 H HA 0.818 5.374 4.556 -0.000 0.000 0.337 83 H C -1.362 173.969 175.328 0.006 0.000 1.257 83 H CA -1.292 54.764 56.048 0.012 0.000 1.192 83 H CB 2.673 32.432 29.762 -0.006 0.000 1.912 83 H HN 0.529 nan 8.280 nan 0.000 0.573 84 I N 2.027 122.440 120.570 -0.262 0.000 2.598 84 I HA 0.059 4.229 4.170 -0.000 0.000 0.277 84 I C -1.311 174.674 176.117 -0.220 0.000 1.179 84 I CA -0.554 60.570 61.300 -0.292 0.000 1.081 84 I CB 1.091 39.009 38.000 -0.136 0.000 1.272 84 I HN 0.716 nan 8.210 nan 0.000 0.471 85 D N 8.207 128.441 120.400 -0.276 0.000 2.502 85 D HA 0.108 4.747 4.640 -0.000 0.000 0.249 85 D C 0.620 176.882 176.300 -0.063 0.000 1.188 85 D CA 0.502 54.436 54.000 -0.110 0.000 0.890 85 D CB 1.160 41.914 40.800 -0.076 0.000 1.140 85 D HN 0.423 nan 8.370 nan 0.000 0.505 86 L N 1.148 122.355 121.223 -0.027 0.000 2.420 86 L HA 0.149 4.489 4.340 -0.000 0.000 0.198 86 L C 1.719 178.588 176.870 -0.003 0.000 1.165 86 L CA -0.230 54.602 54.840 -0.014 0.000 0.863 86 L CB 0.069 42.132 42.059 0.006 0.000 1.371 86 L HN 0.427 nan 8.230 nan 0.000 0.536 87 A N -0.934 121.890 122.820 0.007 0.000 1.997 87 A HA 0.256 4.576 4.320 -0.000 0.000 0.198 87 A C 0.595 178.190 177.584 0.019 0.000 1.449 87 A CA 0.335 52.379 52.037 0.011 0.000 0.908 87 A CB 0.454 19.458 19.000 0.006 0.000 0.984 87 A HN 0.580 nan 8.150 nan 0.000 0.487 88 K N 0.886 121.301 120.400 0.025 0.000 2.513 88 K HA 0.398 4.718 4.320 -0.000 0.000 0.251 88 K C -2.970 173.662 176.600 0.053 0.000 0.939 88 K CA -2.307 54.002 56.287 0.036 0.000 0.793 88 K CB 2.276 34.797 32.500 0.035 0.000 1.241 88 K HN 0.054 nan 8.250 nan 0.000 0.431 89 P HA -0.134 nan 4.420 nan 0.000 0.266 89 P C -0.740 176.634 177.300 0.124 0.000 1.162 89 P CA 0.128 63.270 63.100 0.071 0.000 0.758 89 P CB 0.426 32.156 31.700 0.051 0.000 0.774 90 V N 2.892 122.891 119.914 0.141 0.000 2.888 90 V HA 0.313 4.433 4.120 -0.000 0.000 0.309 90 V C 0.292 176.564 176.094 0.297 0.000 1.114 90 V CA -0.701 61.739 62.300 0.233 0.000 0.940 90 V CB 1.590 33.500 31.823 0.145 0.000 1.021 90 V HN 0.289 nan 8.190 nan 0.000 0.426 91 F N 1.336 121.309 119.950 0.037 0.000 2.472 91 F HA 0.273 4.800 4.527 -0.000 0.000 0.312 91 F C 0.941 176.800 175.800 0.097 0.000 1.256 91 F CA -0.200 57.834 58.000 0.056 0.000 1.275 91 F CB 0.084 39.114 39.000 0.051 0.000 1.228 91 F HN 0.593 nan 8.300 nan 0.000 0.567 92 H N 0.685 119.830 119.070 0.125 0.000 2.539 92 H HA 0.356 4.912 4.556 -0.000 0.000 0.247 92 H C 0.758 176.028 175.328 -0.098 0.000 1.363 92 H CA -0.590 55.429 56.048 -0.048 0.000 1.371 92 H CB 0.328 29.963 29.762 -0.212 0.000 1.438 92 H HN 0.476 nan 8.280 nan 0.000 0.523 93 V N 2.734 122.734 119.914 0.142 0.000 2.407 93 V HA -0.459 3.661 4.120 -0.000 0.000 0.239 93 V C 2.274 178.313 176.094 -0.092 0.000 1.082 93 V CA 2.371 64.690 62.300 0.032 0.000 1.094 93 V CB -1.478 30.370 31.823 0.043 0.000 0.923 93 V HN 0.813 nan 8.190 nan 0.000 0.471 94 G N -2.106 106.448 108.800 -0.411 0.000 2.453 94 G HA2 0.013 3.973 3.960 -0.000 0.000 0.215 94 G HA3 0.013 3.973 3.960 -0.000 0.000 0.215 94 G C 1.338 176.130 174.900 -0.180 0.000 1.147 94 G CA 0.632 45.498 45.100 -0.388 0.000 0.802 94 G HN 0.574 nan 8.290 nan 0.000 0.535 95 F N 0.103 119.776 119.950 -0.461 0.000 2.558 95 F HA 0.053 4.580 4.527 -0.000 0.000 0.298 95 F C 2.327 178.086 175.800 -0.069 0.000 1.119 95 F CA -0.691 57.160 58.000 -0.248 0.000 1.451 95 F CB 0.051 38.918 39.000 -0.221 0.000 1.091 95 F HN 0.008 nan 8.300 nan 0.000 0.563 96 I N 1.333 122.019 120.570 0.194 0.000 2.121 96 I HA -0.426 3.744 4.170 -0.000 0.000 0.243 96 I C 2.724 178.946 176.117 0.176 0.000 1.047 96 I CA 1.702 63.150 61.300 0.248 0.000 1.308 96 I CB -1.259 36.892 38.000 0.252 0.000 1.015 96 I HN 0.091 nan 8.210 nan 0.000 0.410 97 A N -0.383 122.506 122.820 0.116 0.000 1.903 97 A HA -0.321 3.999 4.320 -0.000 0.000 0.219 97 A C 2.405 180.021 177.584 0.053 0.000 1.191 97 A CA 2.341 54.419 52.037 0.068 0.000 0.638 97 A CB -0.666 18.350 19.000 0.026 0.000 0.823 97 A HN 0.451 nan 8.150 nan 0.000 0.451 98 K N -0.758 119.667 120.400 0.041 0.000 2.025 98 K HA -0.013 4.307 4.320 -0.000 0.000 0.207 98 K C 1.879 178.586 176.600 0.178 0.000 1.049 98 K CA 1.397 57.717 56.287 0.054 0.000 0.933 98 K CB -0.372 32.088 32.500 -0.066 0.000 0.714 98 K HN 0.607 nan 8.250 nan 0.000 0.438 99 I N 1.405 122.080 120.570 0.175 0.000 2.315 99 I HA -0.316 3.853 4.170 -0.000 0.000 0.251 99 I C 2.601 178.904 176.117 0.311 0.000 1.125 99 I CA 1.186 62.641 61.300 0.259 0.000 1.392 99 I CB -0.321 37.674 38.000 -0.009 0.000 1.065 99 I HN 0.158 nan 8.210 nan 0.000 0.424 100 K N 1.743 122.282 120.400 0.232 0.000 2.007 100 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 100 K C 2.022 178.763 176.600 0.234 0.000 1.047 100 K CA 1.280 57.702 56.287 0.224 0.000 0.937 100 K CB -0.023 32.585 32.500 0.180 0.000 0.718 100 K HN 0.237 nan 8.250 nan 0.000 0.438 101 K N 0.655 121.158 120.400 0.171 0.000 2.281 101 K HA -0.089 4.231 4.320 -0.000 0.000 0.203 101 K C 1.994 178.764 176.600 0.283 0.000 1.046 101 K CA 0.795 57.159 56.287 0.128 0.000 0.938 101 K CB 0.084 32.450 32.500 -0.225 0.000 0.737 101 K HN -0.004 nan 8.250 nan 0.000 0.458 102 V N 0.614 120.705 119.914 0.296 0.000 2.256 102 V HA -0.262 3.858 4.120 -0.000 0.000 0.240 102 V C 2.351 178.513 176.094 0.112 0.000 1.036 102 V CA 1.472 63.913 62.300 0.235 0.000 1.008 102 V CB -0.427 31.521 31.823 0.208 0.000 0.648 102 V HN 0.391 nan 8.190 nan 0.000 0.453 103 C N 0.310 119.703 119.300 0.156 0.000 2.403 103 C HA -0.185 4.275 4.460 -0.000 0.000 0.279 103 C C 2.552 177.599 174.990 0.094 0.000 1.269 103 C CA 1.027 60.110 59.018 0.109 0.000 1.774 103 C CB -1.341 26.518 27.740 0.198 0.000 1.993 103 C HN 0.628 nan 8.230 nan 0.000 0.496 104 E N -1.287 119.004 120.200 0.151 0.000 2.274 104 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 104 E C 1.931 178.568 176.600 0.062 0.000 0.996 104 E CA 0.885 57.355 56.400 0.118 0.000 0.840 104 E CB -0.122 29.715 29.700 0.228 0.000 0.772 104 E HN 0.667 nan 8.360 nan 0.000 0.491 105 C N 0.601 119.958 119.300 0.096 0.000 2.673 105 C HA 0.160 4.620 4.460 -0.000 0.000 0.264 105 C C 0.539 175.525 174.990 -0.006 0.000 1.304 105 C CA -0.113 58.925 59.018 0.032 0.000 1.727 105 C CB 0.130 27.897 27.740 0.045 0.000 1.932 105 C HN -0.024 nan 8.230 nan 0.000 0.563 106 V N -0.048 119.857 119.914 -0.014 0.000 2.655 106 V HA 0.243 4.363 4.120 -0.000 0.000 0.301 106 V C -0.279 175.807 176.094 -0.013 0.000 1.082 106 V CA -0.780 61.500 62.300 -0.034 0.000 0.899 106 V CB 1.095 32.864 31.823 -0.089 0.000 1.014 106 V HN 0.300 nan 8.190 nan 0.000 0.429 107 C N 7.042 126.351 119.300 0.015 0.000 2.652 107 C HA 0.406 4.866 4.460 -0.000 0.000 0.412 107 C C 1.178 176.203 174.990 0.059 0.000 1.294 107 C CA -0.447 58.605 59.018 0.057 0.000 2.127 107 C CB 0.121 27.914 27.740 0.087 0.000 2.691 107 C HN 0.813 nan 8.230 nan 0.000 0.615 108 M N 3.756 123.399 119.600 0.073 0.000 1.703 108 M HA 0.205 4.685 4.480 -0.000 0.000 0.141 108 M C 1.590 177.923 176.300 0.055 0.000 1.136 108 M CA 0.599 55.898 55.300 -0.003 0.000 0.771 108 M CB -1.048 31.470 32.600 -0.137 0.000 0.942 108 M HN 0.867 nan 8.290 nan 0.000 0.416 109 H N -1.133 117.988 119.070 0.085 0.000 5.017 109 H HA -0.228 4.328 4.556 -0.000 0.000 0.071 109 H C 1.536 176.880 175.328 0.027 0.000 0.562 109 H CA 2.449 58.530 56.048 0.055 0.000 1.051 109 H CB -1.357 28.430 29.762 0.042 0.000 0.480 109 H HN 0.861 nan 8.280 nan 0.000 0.749 110 C N 1.072 120.447 119.300 0.125 0.000 3.757 110 C HA 0.658 5.118 4.460 -0.000 0.000 0.358 110 C C 1.379 176.372 174.990 0.004 0.000 1.484 110 C CA 1.152 60.190 59.018 0.033 0.000 1.862 110 C CB 0.195 27.947 27.740 0.021 0.000 2.654 110 C HN 1.236 nan 8.230 nan 0.000 0.699 111 G N 2.146 110.961 108.800 0.024 0.000 2.349 111 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.223 111 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.223 111 G C -0.623 174.257 174.900 -0.034 0.000 0.736 111 G CA 1.005 46.101 45.100 -0.006 0.000 1.073 111 G HN 1.141 nan 8.290 nan 0.000 0.308 112 K N 1.411 121.790 120.400 -0.034 0.000 2.642 112 K HA 0.444 4.764 4.320 -0.000 0.000 0.290 112 K C 0.414 176.998 176.600 -0.026 0.000 1.006 112 K CA -1.259 55.005 56.287 -0.038 0.000 0.869 112 K CB 0.886 33.368 32.500 -0.028 0.000 1.499 112 K HN 0.355 nan 8.250 nan 0.000 0.403 113 L N 3.119 124.328 121.223 -0.023 0.000 2.503 113 L HA 0.008 4.348 4.340 -0.000 0.000 0.287 113 L C 0.943 177.810 176.870 -0.005 0.000 1.252 113 L CA 0.215 55.047 54.840 -0.013 0.000 0.835 113 L CB 0.135 42.190 42.059 -0.007 0.000 1.099 113 L HN 0.576 nan 8.230 nan 0.000 0.516 114 L N 3.264 124.482 121.223 -0.008 0.000 2.667 114 L HA 0.356 4.696 4.340 -0.000 0.000 0.232 114 L C -0.193 176.676 176.870 -0.003 0.000 1.138 114 L CA 0.115 54.952 54.840 -0.005 0.000 0.921 114 L CB -0.097 41.952 42.059 -0.017 0.000 1.180 114 L HN 0.411 nan 8.230 nan 0.000 0.487 115 L N -0.533 120.691 121.223 0.001 0.000 2.545 115 L HA 0.507 4.847 4.340 -0.000 0.000 0.258 115 L C -1.573 175.303 176.870 0.010 0.000 0.942 115 L CA -0.561 54.285 54.840 0.009 0.000 0.855 115 L CB 2.868 44.922 42.059 -0.009 0.000 1.374 115 L HN -0.096 nan 8.230 nan 0.000 0.411 116 D N 0.431 120.845 120.400 0.024 0.000 2.559 116 D HA 0.212 4.852 4.640 -0.000 0.000 0.250 116 D C 0.198 176.440 176.300 -0.096 0.000 1.135 116 D CA -0.525 53.455 54.000 -0.034 0.000 0.955 116 D CB 1.935 42.723 40.800 -0.020 0.000 1.442 116 D HN 0.473 nan 8.370 nan 0.000 0.471 117 E N -0.188 119.890 120.200 -0.203 0.000 2.271 117 E HA -0.275 4.075 4.350 -0.000 0.000 0.209 117 E C 1.518 178.024 176.600 -0.157 0.000 1.046 117 E CA 1.629 57.910 56.400 -0.198 0.000 0.840 117 E CB -0.349 29.194 29.700 -0.261 0.000 0.738 117 E HN 0.424 nan 8.360 nan 0.000 0.470 118 H N 0.045 119.112 119.070 -0.005 0.000 2.353 118 H HA -0.075 4.481 4.556 -0.000 0.000 0.298 118 H C 0.954 176.277 175.328 -0.008 0.000 1.103 118 H CA 1.227 57.271 56.048 -0.007 0.000 1.293 118 H CB -0.478 29.279 29.762 -0.008 0.000 1.372 118 H HN 0.131 nan 8.280 nan 0.000 0.501 119 N N 1.614 120.370 118.700 0.093 0.000 2.411 119 N HA -0.068 4.672 4.740 -0.000 0.000 0.259 119 N C 1.154 176.675 175.510 0.020 0.000 1.103 119 N CA 0.137 53.215 53.050 0.046 0.000 0.954 119 N CB 1.383 39.886 38.487 0.028 0.000 1.085 119 N HN 0.388 nan 8.380 nan 0.000 0.485 120 E N 3.939 124.150 120.200 0.018 0.000 2.023 120 E HA -0.174 4.176 4.350 -0.000 0.000 0.196 120 E C 1.352 177.953 176.600 0.002 0.000 1.003 120 E CA 1.119 57.524 56.400 0.008 0.000 0.809 120 E CB 0.026 29.731 29.700 0.009 0.000 0.755 120 E HN 0.685 nan 8.360 nan 0.000 0.449 121 L N 0.473 121.696 121.223 -0.000 0.000 2.556 121 L HA -0.200 4.140 4.340 -0.000 0.000 0.230 121 L C 2.383 179.249 176.870 -0.006 0.000 1.163 121 L CA 0.411 55.248 54.840 -0.005 0.000 0.819 121 L CB -0.294 41.759 42.059 -0.010 0.000 0.939 121 L HN 0.392 nan 8.230 nan 0.000 0.452 122 M N -0.346 119.251 119.600 -0.005 0.000 2.398 122 M HA -0.000 4.480 4.480 -0.000 0.000 0.261 122 M C 2.223 178.519 176.300 -0.006 0.000 1.125 122 M CA 1.365 56.660 55.300 -0.008 0.000 1.183 122 M CB -0.181 32.414 32.600 -0.009 0.000 1.322 122 M HN -0.076 nan 8.290 nan 0.000 0.467 123 R N 0.306 120.800 120.500 -0.010 0.000 2.154 123 R HA -0.251 4.089 4.340 -0.000 0.000 0.236 123 R C 2.110 178.410 176.300 0.000 0.000 1.121 123 R CA 2.426 58.520 56.100 -0.011 0.000 0.915 123 R CB -1.347 28.946 30.300 -0.012 0.000 0.856 123 R HN 0.572 nan 8.270 nan 0.000 0.431 124 Q N -0.129 119.673 119.800 0.003 0.000 2.404 124 Q HA -0.207 4.132 4.340 -0.000 0.000 0.214 124 Q C 1.947 177.956 176.000 0.015 0.000 0.992 124 Q CA 1.389 57.197 55.803 0.009 0.000 0.899 124 Q CB -0.152 28.590 28.738 0.008 0.000 0.921 124 Q HN 0.498 nan 8.270 nan 0.000 0.453 125 A N 0.329 123.157 122.820 0.013 0.000 1.901 125 A HA 0.001 4.321 4.320 -0.000 0.000 0.210 125 A C 1.907 179.510 177.584 0.032 0.000 1.208 125 A CA 0.270 52.320 52.037 0.022 0.000 0.644 125 A CB -0.301 18.709 19.000 0.015 0.000 0.863 125 A HN 0.260 nan 8.150 nan 0.000 0.454 126 L N -0.050 121.188 121.223 0.025 0.000 2.450 126 L HA -0.127 4.213 4.340 -0.000 0.000 0.224 126 L C 2.771 179.661 176.870 0.033 0.000 1.149 126 L CA 0.708 55.568 54.840 0.032 0.000 0.816 126 L CB -0.464 41.605 42.059 0.018 0.000 0.932 126 L HN 0.434 nan 8.230 nan 0.000 0.449 127 A N 0.409 123.246 122.820 0.027 0.000 1.854 127 A HA 0.007 4.327 4.320 -0.000 0.000 0.214 127 A C 1.338 178.943 177.584 0.034 0.000 1.192 127 A CA 0.195 52.248 52.037 0.026 0.000 0.611 127 A CB -0.492 18.520 19.000 0.020 0.000 0.832 127 A HN 0.250 nan 8.150 nan 0.000 0.442 128 I N 1.682 122.275 120.570 0.038 0.000 3.388 128 I HA -0.162 4.008 4.170 -0.000 0.000 0.298 128 I C -0.330 175.817 176.117 0.050 0.000 1.238 128 I CA 0.579 61.905 61.300 0.044 0.000 1.376 128 I CB -0.354 37.676 38.000 0.051 0.000 1.470 128 I HN 0.281 nan 8.210 nan 0.000 0.547 129 K N 6.495 126.920 120.400 0.043 0.000 2.220 129 K HA 0.214 4.534 4.320 -0.000 0.000 0.283 129 K C -0.175 176.451 176.600 0.044 0.000 1.098 129 K CA -0.132 56.181 56.287 0.043 0.000 0.928 129 K CB 0.374 32.896 32.500 0.036 0.000 1.214 129 K HN 0.426 nan 8.250 nan 0.000 0.442 130 D N 1.956 122.386 120.400 0.049 0.000 3.471 130 D HA -0.094 4.546 4.640 -0.000 0.000 0.154 130 D C 0.876 177.206 176.300 0.050 0.000 1.114 130 D CA 0.374 54.401 54.000 0.044 0.000 1.772 130 D CB -0.554 40.272 40.800 0.043 0.000 0.836 130 D HN 0.380 nan 8.370 nan 0.000 0.846 131 S N 1.502 117.230 115.700 0.047 0.000 2.469 131 S HA -0.442 4.028 4.470 -0.000 0.000 0.309 131 S C 1.943 176.576 174.600 0.055 0.000 1.209 131 S CA 1.988 60.215 58.200 0.045 0.000 1.281 131 S CB -0.548 62.639 63.200 -0.022 0.000 1.265 131 S HN 0.543 nan 8.310 nan 0.000 0.452 132 K N 1.155 121.559 120.400 0.007 0.000 2.117 132 K HA -0.258 4.062 4.320 -0.000 0.000 0.215 132 K C 2.311 178.961 176.600 0.083 0.000 1.053 132 K CA 2.307 58.601 56.287 0.011 0.000 0.935 132 K CB -0.213 32.288 32.500 0.001 0.000 0.719 132 K HN 0.656 nan 8.250 nan 0.000 0.460 133 K N -0.765 119.688 120.400 0.088 0.000 2.284 133 K HA 0.010 4.330 4.320 -0.000 0.000 0.198 133 K C 1.823 178.502 176.600 0.131 0.000 1.048 133 K CA 0.114 56.463 56.287 0.103 0.000 0.987 133 K CB 0.133 32.676 32.500 0.073 0.000 0.800 133 K HN 0.056 nan 8.250 nan 0.000 0.486 134 R N 0.297 120.879 120.500 0.136 0.000 2.369 134 R HA -0.066 4.274 4.340 -0.000 0.000 0.200 134 R C 0.773 177.210 176.300 0.228 0.000 1.046 134 R CA 0.634 56.821 56.100 0.146 0.000 1.057 134 R CB 0.028 30.405 30.300 0.129 0.000 0.888 134 R HN 0.149 nan 8.270 nan 0.000 0.474 135 F N -0.761 119.227 119.950 0.064 0.000 2.537 135 F HA 0.326 4.853 4.527 -0.000 0.000 0.277 135 F C 1.728 177.610 175.800 0.136 0.000 1.013 135 F CA 0.504 58.556 58.000 0.086 0.000 1.332 135 F CB -0.104 38.917 39.000 0.036 0.000 1.108 135 F HN -0.005 nan 8.300 nan 0.000 0.679 136 A N -0.040 122.923 122.820 0.238 0.000 2.258 136 A HA 0.391 4.711 4.320 -0.000 0.000 0.206 136 A C 1.649 179.335 177.584 0.170 0.000 1.222 136 A CA 1.124 53.285 52.037 0.206 0.000 0.822 136 A CB -1.298 17.808 19.000 0.176 0.000 0.804 136 A HN 0.415 nan 8.150 nan 0.000 0.483 137 A N -0.378 122.505 122.820 0.104 0.000 1.988 137 A HA 0.294 4.614 4.320 -0.000 0.000 0.201 137 A C 1.807 179.401 177.584 0.017 0.000 1.410 137 A CA 0.527 52.602 52.037 0.063 0.000 0.832 137 A CB -0.184 18.853 19.000 0.061 0.000 0.981 137 A HN 0.290 nan 8.150 nan 0.000 0.492 138 I N -1.134 119.427 120.570 -0.015 0.000 2.045 138 I HA -0.247 3.923 4.170 -0.000 0.000 0.233 138 I C 2.409 178.476 176.117 -0.084 0.000 1.048 138 I CA 1.708 62.967 61.300 -0.068 0.000 1.313 138 I CB -1.666 36.259 38.000 -0.124 0.000 1.043 138 I HN 0.721 nan 8.210 nan 0.000 0.393 139 W N 2.224 123.298 121.300 -0.376 0.000 2.290 139 W HA -0.303 4.357 4.660 -0.000 0.000 0.311 139 W C 2.583 179.007 176.519 -0.157 0.000 1.238 139 W CA 2.755 59.915 57.345 -0.307 0.000 1.255 139 W CB -0.645 28.573 29.460 -0.403 0.000 1.145 139 W HN 0.063 nan 8.180 nan 0.000 0.506 140 T N 0.946 115.449 114.554 -0.086 0.000 2.929 140 T HA -0.100 4.250 4.350 -0.000 0.000 0.271 140 T C 1.193 175.712 174.700 -0.301 0.000 1.085 140 T CA 1.188 63.114 62.100 -0.290 0.000 1.125 140 T CB -0.286 68.572 68.868 -0.017 0.000 0.874 140 T HN 0.059 nan 8.240 nan 0.000 0.494 141 L N 0.405 121.502 121.223 -0.210 0.000 3.108 141 L HA 0.334 4.674 4.340 -0.000 0.000 0.251 141 L C 0.126 176.893 176.870 -0.172 0.000 1.315 141 L CA -0.267 54.474 54.840 -0.164 0.000 1.048 141 L CB 0.399 42.404 42.059 -0.091 0.000 1.432 141 L HN 0.297 nan 8.230 nan 0.000 0.543 142 C N -1.876 117.270 119.300 -0.257 0.000 4.405 142 C HA -0.028 4.432 4.460 -0.000 0.000 0.362 142 C C 2.122 176.962 174.990 -0.251 0.000 1.885 142 C CA -0.476 58.420 59.018 -0.203 0.000 1.776 142 C CB 0.103 27.755 27.740 -0.146 0.000 2.989 142 C HN 0.603 nan 8.230 nan 0.000 0.612 143 K N 0.961 121.110 120.400 -0.418 0.000 2.243 143 K HA 0.030 4.350 4.320 -0.000 0.000 0.201 143 K C 1.337 177.784 176.600 -0.254 0.000 1.051 143 K CA 1.667 57.718 56.287 -0.394 0.000 0.970 143 K CB -0.397 31.699 32.500 -0.673 0.000 0.755 143 K HN 0.263 nan 8.250 nan 0.000 0.465 144 T N 1.076 115.484 114.554 -0.243 0.000 2.851 144 T HA 0.016 4.366 4.350 -0.000 0.000 0.262 144 T C 0.475 175.107 174.700 -0.114 0.000 1.043 144 T CA 0.713 62.715 62.100 -0.162 0.000 1.140 144 T CB 0.060 68.839 68.868 -0.149 0.000 0.872 144 T HN 0.059 nan 8.240 nan 0.000 0.446 145 K N 2.116 122.452 120.400 -0.107 0.000 2.378 145 K HA 0.236 4.556 4.320 -0.000 0.000 0.288 145 K C 0.097 176.660 176.600 -0.061 0.000 1.057 145 K CA 0.324 56.569 56.287 -0.070 0.000 0.971 145 K CB 0.506 32.971 32.500 -0.058 0.000 0.975 145 K HN 0.385 nan 8.250 nan 0.000 0.475 146 M N 2.184 121.758 119.600 -0.044 0.000 2.685 146 M HA 0.141 4.621 4.480 -0.000 0.000 0.355 146 M C -0.570 175.730 176.300 0.001 0.000 1.197 146 M CA -0.236 55.045 55.300 -0.032 0.000 0.947 146 M CB 0.776 33.350 32.600 -0.043 0.000 1.346 146 M HN -0.010 nan 8.290 nan 0.000 0.516 147 V N -0.286 119.630 119.914 0.004 0.000 2.686 147 V HA 0.181 4.301 4.120 -0.000 0.000 0.306 147 V C -0.490 175.616 176.094 0.019 0.000 1.065 147 V CA -1.162 61.149 62.300 0.020 0.000 0.894 147 V CB 2.288 34.117 31.823 0.010 0.000 1.004 147 V HN 0.377 nan 8.190 nan 0.000 0.424 148 C N 4.870 124.190 119.300 0.033 0.000 3.057 148 C HA 0.298 4.758 4.460 -0.000 0.000 0.563 148 C C 0.989 175.988 174.990 0.015 0.000 1.129 148 C CA -0.559 58.476 59.018 0.029 0.000 1.284 148 C CB -2.312 25.457 27.740 0.047 0.000 1.532 148 C HN 0.939 nan 8.230 nan 0.000 0.631 149 E N 1.091 121.295 120.200 0.006 0.000 2.739 149 E HA -0.121 4.229 4.350 -0.000 0.000 0.278 149 E C 0.934 177.530 176.600 -0.007 0.000 0.978 149 E CA 0.829 57.228 56.400 -0.003 0.000 0.978 149 E CB 0.549 30.245 29.700 -0.006 0.000 0.982 149 E HN 0.625 nan 8.360 nan 0.000 0.469 150 T N 1.128 115.673 114.554 -0.015 0.000 2.971 150 T HA 0.058 4.408 4.350 -0.000 0.000 0.252 150 T C -0.549 174.129 174.700 -0.036 0.000 1.022 150 T CA -0.023 62.064 62.100 -0.021 0.000 0.980 150 T CB 0.429 69.285 68.868 -0.020 0.000 1.044 150 T HN 0.367 nan 8.240 nan 0.000 0.501 151 D N 0.975 121.350 120.400 -0.042 0.000 2.966 151 D HA 0.460 5.100 4.640 -0.000 0.000 0.222 151 D C -1.301 174.960 176.300 -0.066 0.000 1.292 151 D CA -0.232 53.730 54.000 -0.063 0.000 0.907 151 D CB 2.843 43.611 40.800 -0.052 0.000 1.621 151 D HN -0.052 nan 8.370 nan 0.000 0.557 152 V N 2.322 122.175 119.914 -0.101 0.000 2.656 152 V HA 0.424 4.544 4.120 -0.000 0.000 0.307 152 V C -2.272 173.768 176.094 -0.091 0.000 1.051 152 V CA -1.743 60.509 62.300 -0.080 0.000 0.893 152 V CB 2.386 34.171 31.823 -0.062 0.000 0.999 152 V HN 0.371 nan 8.190 nan 0.000 0.426 153 P HA 0.100 nan 4.420 nan 0.000 0.266 153 P C 0.156 177.438 177.300 -0.030 0.000 1.215 153 P CA 0.260 63.336 63.100 -0.039 0.000 0.763 153 P CB 0.755 32.442 31.700 -0.022 0.000 0.806 154 S N 2.699 118.378 115.700 -0.034 0.000 2.632 154 S HA 0.040 4.510 4.470 -0.000 0.000 0.254 154 S C 1.244 175.857 174.600 0.022 0.000 1.291 154 S CA -0.397 57.805 58.200 0.003 0.000 0.974 154 S CB 0.025 63.224 63.200 -0.000 0.000 1.016 154 S HN 0.449 nan 8.310 nan 0.000 0.579 155 E N 0.710 120.933 120.200 0.039 0.000 2.396 155 E HA -0.102 4.248 4.350 -0.000 0.000 0.200 155 E C 0.440 177.049 176.600 0.015 0.000 1.023 155 E CA 0.991 57.408 56.400 0.028 0.000 0.857 155 E CB -0.225 29.494 29.700 0.031 0.000 0.775 155 E HN 0.508 nan 8.360 nan 0.000 0.525 156 D N 1.162 121.569 120.400 0.011 0.000 2.045 156 D HA 0.004 4.644 4.640 -0.000 0.000 0.280 156 D C 0.340 176.641 176.300 0.001 0.000 1.117 156 D CA 0.174 54.177 54.000 0.005 0.000 1.001 156 D CB -0.001 40.800 40.800 0.002 0.000 1.159 156 D HN -0.076 nan 8.370 nan 0.000 0.477 157 D N 0.884 121.283 120.400 -0.002 0.000 2.382 157 D HA 0.063 4.703 4.640 -0.000 0.000 0.245 157 D C -1.448 174.848 176.300 -0.006 0.000 1.120 157 D CA -0.932 53.066 54.000 -0.004 0.000 0.890 157 D CB 1.245 42.042 40.800 -0.005 0.000 1.201 157 D HN 0.108 nan 8.370 nan 0.000 0.433 158 P HA -0.006 nan 4.420 nan 0.000 0.249 158 P C 0.766 178.060 177.300 -0.010 0.000 1.241 158 P CA 0.439 63.534 63.100 -0.007 0.000 0.781 158 P CB 0.424 32.120 31.700 -0.005 0.000 1.088 159 T N -1.216 113.333 114.554 -0.010 0.000 3.010 159 T HA 0.039 4.389 4.350 -0.000 0.000 0.252 159 T C 0.946 175.638 174.700 -0.013 0.000 1.047 159 T CA 0.476 62.570 62.100 -0.010 0.000 1.140 159 T CB -0.075 68.788 68.868 -0.008 0.000 0.885 159 T HN 0.249 nan 8.240 nan 0.000 0.464 160 Q N 1.251 121.043 119.800 -0.014 0.000 2.286 160 Q HA 0.489 4.829 4.340 -0.000 0.000 0.257 160 Q C -0.997 174.988 176.000 -0.026 0.000 0.941 160 Q CA -0.029 55.763 55.803 -0.018 0.000 0.912 160 Q CB 1.096 29.825 28.738 -0.015 0.000 1.192 160 Q HN 0.374 nan 8.270 nan 0.000 0.410 161 L N 2.673 123.878 121.223 -0.031 0.000 2.329 161 L HA 0.595 4.935 4.340 -0.000 0.000 0.279 161 L C -0.521 176.315 176.870 -0.056 0.000 1.014 161 L CA -0.985 53.829 54.840 -0.043 0.000 0.814 161 L CB 1.573 43.609 42.059 -0.037 0.000 1.257 161 L HN 0.321 nan 8.230 nan 0.000 0.424 162 V N 0.976 120.838 119.914 -0.086 0.000 2.815 162 V HA 0.603 4.723 4.120 -0.000 0.000 0.314 162 V C 0.023 176.035 176.094 -0.137 0.000 1.064 162 V CA -0.580 61.651 62.300 -0.115 0.000 0.952 162 V CB 2.057 33.782 31.823 -0.163 0.000 1.020 162 V HN 0.900 nan 8.190 nan 0.000 0.439 163 S N 3.384 119.016 115.700 -0.115 0.000 2.568 163 S HA 0.835 5.305 4.470 -0.000 0.000 0.302 163 S C -0.247 174.300 174.600 -0.089 0.000 1.082 163 S CA -0.855 57.288 58.200 -0.095 0.000 1.009 163 S CB 2.731 65.898 63.200 -0.056 0.000 1.069 163 S HN 0.924 nan 8.310 nan 0.000 0.500 164 R N 1.535 121.999 120.500 -0.060 0.000 2.667 164 R HA 0.710 5.049 4.340 -0.000 0.000 0.102 164 R C 0.689 176.985 176.300 -0.007 0.000 1.113 164 R CA -0.432 55.660 56.100 -0.013 0.000 0.925 164 R CB -0.490 29.825 30.300 0.026 0.000 0.791 164 R HN 0.691 nan 8.270 nan 0.000 0.377 165 G N -0.708 108.092 108.800 0.001 0.000 2.531 165 G HA2 0.591 4.551 3.960 -0.000 0.000 0.313 165 G HA3 0.591 4.551 3.960 -0.000 0.000 0.313 165 G C -0.849 174.046 174.900 -0.009 0.000 1.238 165 G CA -0.429 44.667 45.100 -0.006 0.000 0.994 165 G HN 0.646 nan 8.290 nan 0.000 0.493 166 G N -2.796 105.998 108.800 -0.010 0.000 2.677 166 G HA2 0.616 4.576 3.960 -0.000 0.000 0.291 166 G HA3 0.616 4.576 3.960 -0.000 0.000 0.291 166 G C -0.648 174.246 174.900 -0.009 0.000 1.435 166 G CA 0.222 45.316 45.100 -0.010 0.000 0.826 166 G HN 2.091 nan 8.290 nan 0.000 0.491 167 C N -1.101 118.194 119.300 -0.009 0.000 2.648 167 C HA 0.283 4.743 4.460 -0.000 0.000 0.348 167 C C 1.038 176.028 174.990 -0.001 0.000 0.767 167 C CA -0.749 58.261 59.018 -0.015 0.000 2.079 167 C CB -1.155 26.579 27.740 -0.010 0.000 1.493 167 C HN 2.003 nan 8.230 nan 0.000 0.543 168 G N 1.595 110.393 108.800 -0.005 0.000 3.094 168 G HA2 0.071 4.031 3.960 -0.000 0.000 0.208 168 G HA3 0.071 4.031 3.960 -0.000 0.000 0.208 168 G C 0.465 175.382 174.900 0.027 0.000 1.189 168 G CA -0.034 45.074 45.100 0.012 0.000 0.856 168 G HN 0.895 nan 8.290 nan 0.000 0.510 169 N N 2.519 121.225 118.700 0.010 0.000 2.355 169 N HA -0.039 4.701 4.740 -0.000 0.000 0.282 169 N C 0.490 176.093 175.510 0.156 0.000 1.374 169 N CA 0.661 53.726 53.050 0.025 0.000 0.929 169 N CB 0.260 38.681 38.487 -0.111 0.000 1.278 169 N HN 0.103 nan 8.380 nan 0.000 0.491 170 T N 2.266 116.923 114.554 0.171 0.000 2.746 170 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 170 T C 0.686 175.547 174.700 0.268 0.000 1.022 170 T CA 0.510 62.741 62.100 0.217 0.000 1.144 170 T CB 0.262 69.293 68.868 0.272 0.000 1.061 170 T HN 0.383 nan 8.240 nan 0.000 0.470 171 Q N 3.784 123.656 119.800 0.120 0.000 2.361 171 Q HA 0.224 4.564 4.340 -0.000 0.000 0.250 171 Q C -2.081 173.849 176.000 -0.118 0.000 1.023 171 Q CA -1.848 53.982 55.803 0.045 0.000 0.915 171 Q CB 0.616 29.357 28.738 0.006 0.000 1.238 171 Q HN 0.449 nan 8.270 nan 0.000 0.451 172 P HA -0.007 nan 4.420 nan 0.000 0.275 172 P C -0.468 176.571 177.300 -0.433 0.000 1.276 172 P CA -0.145 62.486 63.100 -0.781 0.000 0.782 172 P CB 0.686 31.327 31.700 -1.765 0.000 0.851 173 T N 4.729 119.101 114.554 -0.304 0.000 2.906 173 T HA 0.186 4.536 4.350 -0.000 0.000 0.320 173 T C 0.773 175.365 174.700 -0.180 0.000 1.088 173 T CA 0.431 62.424 62.100 -0.178 0.000 1.120 173 T CB 0.161 68.954 68.868 -0.125 0.000 1.000 173 T HN 0.293 nan 8.240 nan 0.000 0.550 174 I N 2.060 122.581 120.570 -0.083 0.000 2.647 174 I HA 0.548 4.718 4.170 -0.000 0.000 0.295 174 I C 0.054 176.178 176.117 0.011 0.000 1.078 174 I CA -1.151 60.122 61.300 -0.044 0.000 1.048 174 I CB 2.140 40.142 38.000 0.003 0.000 1.239 174 I HN 0.649 nan 8.210 nan 0.000 0.421 175 R N 3.406 123.913 120.500 0.012 0.000 2.837 175 R HA 0.557 4.897 4.340 -0.000 0.000 0.271 175 R C -1.172 175.152 176.300 0.040 0.000 0.993 175 R CA -1.120 54.999 56.100 0.031 0.000 0.931 175 R CB 2.116 32.426 30.300 0.016 0.000 1.206 175 R HN 0.441 nan 8.270 nan 0.000 0.474 176 K N 1.751 122.179 120.400 0.047 0.000 2.267 176 K HA 0.055 4.375 4.320 -0.000 0.000 0.282 176 K C -1.044 175.572 176.600 0.026 0.000 1.078 176 K CA -0.326 55.987 56.287 0.043 0.000 0.903 176 K CB 0.799 33.331 32.500 0.054 0.000 1.111 176 K HN 0.647 nan 8.250 nan 0.000 0.475 177 D N 4.496 124.904 120.400 0.013 0.000 2.458 177 D HA 0.246 4.885 4.640 -0.000 0.000 0.258 177 D C 0.463 176.762 176.300 -0.003 0.000 1.134 177 D CA 0.541 54.545 54.000 0.006 0.000 0.915 177 D CB 0.614 41.416 40.800 0.003 0.000 1.028 177 D HN 0.924 nan 8.370 nan 0.000 0.508 178 G N 3.082 111.885 108.800 0.006 0.000 2.552 178 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.267 178 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.267 178 G C 0.490 175.387 174.900 -0.006 0.000 1.174 178 G CA 0.139 45.244 45.100 0.008 0.000 0.955 178 G HN 0.468 nan 8.290 nan 0.000 0.546 179 L N 0.936 122.139 121.223 -0.033 0.000 2.872 179 L HA 0.427 4.767 4.340 -0.000 0.000 0.245 179 L C 0.803 177.522 176.870 -0.250 0.000 1.211 179 L CA 0.159 54.945 54.840 -0.090 0.000 1.013 179 L CB -0.033 41.998 42.059 -0.047 0.000 1.326 179 L HN 0.304 nan 8.230 nan 0.000 0.525 180 K N 0.289 120.576 120.400 -0.187 0.000 2.439 180 K HA 0.726 5.046 4.320 -0.000 0.000 0.260 180 K C -1.133 175.411 176.600 -0.093 0.000 1.032 180 K CA -0.811 55.332 56.287 -0.239 0.000 0.882 180 K CB 2.734 35.141 32.500 -0.154 0.000 1.420 180 K HN -0.097 nan 8.250 nan 0.000 0.455 181 L N 1.285 122.489 121.223 -0.032 0.000 2.346 181 L HA 0.653 4.993 4.340 -0.000 0.000 0.276 181 L C -0.948 175.954 176.870 0.054 0.000 1.006 181 L CA -1.124 53.750 54.840 0.056 0.000 0.817 181 L CB 1.911 44.062 42.059 0.155 0.000 1.272 181 L HN 0.257 nan 8.230 nan 0.000 0.421 182 V N 0.806 120.741 119.914 0.035 0.000 2.962 182 V HA 0.912 5.032 4.120 -0.000 0.000 0.313 182 V C -0.106 175.960 176.094 -0.046 0.000 1.099 182 V CA -0.524 61.788 62.300 0.020 0.000 0.971 182 V CB 2.230 34.064 31.823 0.018 0.000 1.028 182 V HN 0.886 nan 8.190 nan 0.000 0.430 183 G N 1.090 109.819 108.800 -0.117 0.000 2.759 183 G HA2 0.623 4.583 3.960 -0.000 0.000 0.297 183 G HA3 0.623 4.583 3.960 -0.000 0.000 0.297 183 G C -0.753 173.863 174.900 -0.472 0.000 1.434 183 G CA -0.037 44.855 45.100 -0.347 0.000 0.980 183 G HN 0.931 nan 8.290 nan 0.000 0.531 184 S N 0.459 115.937 115.700 -0.369 0.000 2.707 184 S HA 0.737 5.207 4.470 -0.000 0.000 0.276 184 S C -0.732 173.694 174.600 -0.289 0.000 1.179 184 S CA -0.735 57.377 58.200 -0.147 0.000 0.992 184 S CB 1.602 64.778 63.200 -0.038 0.000 1.030 184 S HN 0.633 nan 8.310 nan 0.000 0.554 185 W N 1.468 122.782 121.300 0.024 0.000 2.036 185 W HA 0.359 5.019 4.660 -0.000 0.000 0.294 185 W C 0.110 176.638 176.519 0.015 0.000 0.948 185 W CA -0.780 56.579 57.345 0.024 0.000 1.774 185 W CB 0.936 30.415 29.460 0.031 0.000 1.950 185 W HN 0.779 nan 8.180 nan 0.000 0.384 196 E N 0.597 120.812 120.200 0.025 0.000 7.825 196 E HA -0.122 4.228 4.350 -0.000 0.000 0.465 196 E C -2.319 174.308 176.600 0.044 0.000 0.585 196 E CA -0.520 55.898 56.400 0.030 0.000 1.026 196 E CB 0.052 29.767 29.700 0.025 0.000 0.978 196 E HN 0.248 nan 8.360 nan 0.000 0.265 197 P HA 0.051 nan 4.420 nan 0.000 0.286 197 P C -0.622 176.735 177.300 0.095 0.000 1.278 197 P CA 0.412 63.557 63.100 0.075 0.000 0.785 197 P CB 0.344 32.080 31.700 0.059 0.000 1.269 198 E N -0.634 119.649 120.200 0.139 0.000 2.647 198 E HA 0.230 4.580 4.350 -0.000 0.000 0.387 198 E C -1.236 175.510 176.600 0.243 0.000 0.996 198 E CA -0.214 56.281 56.400 0.158 0.000 0.735 198 E CB 0.140 29.934 29.700 0.157 0.000 1.559 198 E HN 0.272 nan 8.360 nan 0.000 0.385 199 L N 4.134 125.457 121.223 0.167 0.000 2.276 199 L HA 0.576 4.916 4.340 -0.000 0.000 0.286 199 L C 0.310 177.289 176.870 0.181 0.000 1.061 199 L CA -0.326 54.622 54.840 0.179 0.000 0.807 199 L CB 0.763 42.879 42.059 0.094 0.000 1.177 199 L HN 0.392 nan 8.230 nan 0.000 0.429 200 R N 1.907 122.573 120.500 0.277 0.000 2.774 200 R HA 0.704 5.044 4.340 -0.000 0.000 0.272 200 R C -1.757 174.669 176.300 0.211 0.000 1.000 200 R CA -0.885 55.340 56.100 0.209 0.000 0.906 200 R CB 1.716 32.124 30.300 0.179 0.000 1.227 200 R HN 0.235 nan 8.270 nan 0.000 0.468 201 V N 3.753 123.741 119.914 0.123 0.000 2.432 201 V HA 0.217 4.337 4.120 -0.000 0.000 0.271 201 V C 0.440 176.612 176.094 0.130 0.000 1.046 201 V CA -0.603 61.757 62.300 0.101 0.000 0.945 201 V CB 0.968 32.816 31.823 0.042 0.000 0.992 201 V HN 0.574 nan 8.190 nan 0.000 0.471 202 L N 5.486 126.799 121.223 0.150 0.000 2.477 202 L HA 0.200 4.540 4.340 -0.000 0.000 0.272 202 L C 0.892 177.850 176.870 0.147 0.000 1.157 202 L CA 0.262 55.206 54.840 0.174 0.000 0.889 202 L CB 0.863 43.035 42.059 0.189 0.000 1.158 202 L HN 0.854 nan 8.230 nan 0.000 0.473 203 S N 1.020 116.805 115.700 0.143 0.000 2.586 203 S HA 0.240 4.710 4.470 -0.000 0.000 0.274 203 S C 1.019 175.733 174.600 0.190 0.000 1.281 203 S CA -0.744 57.537 58.200 0.135 0.000 1.035 203 S CB 1.644 64.907 63.200 0.105 0.000 0.962 203 S HN 0.626 nan 8.310 nan 0.000 0.512 204 T N 2.776 117.469 114.554 0.232 0.000 2.529 204 T HA -0.196 4.154 4.350 -0.000 0.000 0.261 204 T C 1.493 176.284 174.700 0.152 0.000 1.110 204 T CA 2.223 64.529 62.100 0.343 0.000 1.192 204 T CB -0.960 68.109 68.868 0.335 0.000 0.864 204 T HN 0.872 nan 8.240 nan 0.000 0.407 205 E N 0.950 121.216 120.200 0.110 0.000 2.172 205 E HA -0.287 4.063 4.350 -0.000 0.000 0.213 205 E C 2.149 178.782 176.600 0.055 0.000 1.051 205 E CA 1.862 58.300 56.400 0.064 0.000 0.860 205 E CB -0.264 29.473 29.700 0.062 0.000 0.755 205 E HN 0.621 nan 8.360 nan 0.000 0.462 206 E N 0.068 120.315 120.200 0.078 0.000 2.007 206 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 206 E C 2.087 178.740 176.600 0.088 0.000 0.999 206 E CA 1.102 57.549 56.400 0.079 0.000 0.811 206 E CB 0.008 29.764 29.700 0.094 0.000 0.762 206 E HN 0.133 nan 8.360 nan 0.000 0.450 207 I N 1.513 122.146 120.570 0.104 0.000 2.145 207 I HA -0.330 3.840 4.170 -0.000 0.000 0.244 207 I C 2.630 178.768 176.117 0.034 0.000 1.075 207 I CA 1.260 62.620 61.300 0.101 0.000 1.332 207 I CB -1.178 36.820 38.000 -0.003 0.000 1.033 207 I HN 0.369 nan 8.210 nan 0.000 0.410 208 L N 0.656 121.826 121.223 -0.088 0.000 1.956 208 L HA -0.327 4.013 4.340 -0.000 0.000 0.216 208 L C 2.590 179.469 176.870 0.015 0.000 1.073 208 L CA 2.047 56.817 54.840 -0.118 0.000 0.762 208 L CB -0.556 41.447 42.059 -0.094 0.000 0.889 208 L HN 0.364 nan 8.230 nan 0.000 0.433 209 N N 0.505 119.213 118.700 0.013 0.000 2.036 209 N HA -0.281 4.459 4.740 -0.000 0.000 0.199 209 N C 1.811 177.351 175.510 0.049 0.000 1.036 209 N CA 2.453 55.496 53.050 -0.011 0.000 0.870 209 N CB -0.273 38.228 38.487 0.023 0.000 1.055 209 N HN 0.313 nan 8.380 nan 0.000 0.436 210 I N 0.509 121.165 120.570 0.143 0.000 2.300 210 I HA -0.262 3.908 4.170 -0.000 0.000 0.252 210 I C 2.045 178.246 176.117 0.140 0.000 1.119 210 I CA 1.061 62.454 61.300 0.155 0.000 1.384 210 I CB -1.372 36.714 38.000 0.144 0.000 1.062 210 I HN 0.078 nan 8.210 nan 0.000 0.426 211 F N 1.074 120.999 119.950 -0.041 0.000 2.149 211 F HA -0.086 4.441 4.527 -0.000 0.000 0.294 211 F C 2.521 178.278 175.800 -0.073 0.000 1.095 211 F CA 1.110 59.076 58.000 -0.056 0.000 1.276 211 F CB -0.740 38.203 39.000 -0.095 0.000 1.023 211 F HN -0.043 nan 8.300 nan 0.000 0.480 212 K N -0.791 119.644 120.400 0.058 0.000 2.286 212 K HA -0.202 4.118 4.320 -0.000 0.000 0.203 212 K C 1.511 178.016 176.600 -0.158 0.000 1.045 212 K CA 1.305 57.524 56.287 -0.113 0.000 0.935 212 K CB -0.123 32.236 32.500 -0.235 0.000 0.737 212 K HN 0.289 nan 8.250 nan 0.000 0.460 213 H N -0.423 118.637 119.070 -0.016 0.000 2.575 213 H HA 0.105 4.661 4.556 -0.000 0.000 0.267 213 H C 0.283 175.534 175.328 -0.128 0.000 0.966 213 H CA -0.146 55.865 56.048 -0.062 0.000 1.165 213 H CB 0.270 30.009 29.762 -0.039 0.000 1.433 213 H HN 0.022 nan 8.280 nan 0.000 0.544 214 I N 2.418 122.963 120.570 -0.043 0.000 2.948 214 I HA -0.142 4.028 4.170 -0.000 0.000 0.303 214 I C 1.395 177.276 176.117 -0.392 0.000 1.224 214 I CA 0.455 61.648 61.300 -0.178 0.000 1.442 214 I CB 0.089 38.004 38.000 -0.141 0.000 1.328 214 I HN 0.150 nan 8.210 nan 0.000 0.578 215 S N 5.099 120.581 115.700 -0.363 0.000 2.592 215 S HA 0.219 4.689 4.470 -0.000 0.000 0.271 215 S C 1.121 175.312 174.600 -0.681 0.000 1.326 215 S CA -0.852 57.108 58.200 -0.401 0.000 1.024 215 S CB 1.587 64.658 63.200 -0.215 0.000 0.921 215 S HN 0.346 nan 8.310 nan 0.000 0.527 216 V N 3.285 122.863 119.914 -0.559 0.000 2.407 216 V HA -0.107 4.013 4.120 -0.000 0.000 0.248 216 V C 2.583 178.574 176.094 -0.172 0.000 1.055 216 V CA 1.838 63.850 62.300 -0.480 0.000 1.049 216 V CB -1.002 30.705 31.823 -0.193 0.000 0.662 216 V HN 0.915 nan 8.190 nan 0.000 0.455 217 K N -0.308 120.017 120.400 -0.124 0.000 2.288 217 K HA -0.108 4.211 4.320 -0.000 0.000 0.201 217 K C 1.754 178.353 176.600 -0.001 0.000 1.048 217 K CA 1.075 57.343 56.287 -0.031 0.000 0.956 217 K CB -0.087 32.393 32.500 -0.034 0.000 0.746 217 K HN 0.497 nan 8.250 nan 0.000 0.461 218 D N 0.158 120.524 120.400 -0.058 0.000 2.183 218 D HA -0.066 4.574 4.640 -0.000 0.000 0.205 218 D C 1.648 178.027 176.300 0.132 0.000 0.962 218 D CA 0.651 54.651 54.000 0.001 0.000 0.849 218 D CB -0.140 40.620 40.800 -0.066 0.000 0.978 218 D HN 0.117 nan 8.370 nan 0.000 0.488 219 F N 1.793 121.736 119.950 -0.012 0.000 2.025 219 F HA -0.330 4.197 4.527 -0.000 0.000 0.297 219 F C 2.726 178.606 175.800 0.134 0.000 1.171 219 F CA 1.465 59.461 58.000 -0.006 0.000 1.204 219 F CB -0.687 38.312 39.000 -0.003 0.000 0.948 219 F HN -0.016 nan 8.300 nan 0.000 0.512 220 T N -0.322 114.463 114.554 0.386 0.000 2.649 220 T HA -0.277 4.073 4.350 -0.000 0.000 0.268 220 T C 1.869 176.698 174.700 0.216 0.000 1.036 220 T CA 1.771 64.025 62.100 0.255 0.000 1.157 220 T CB -0.780 68.195 68.868 0.179 0.000 0.861 220 T HN 0.241 nan 8.240 nan 0.000 0.445 221 S N 1.300 117.110 115.700 0.184 0.000 2.365 221 S HA -0.003 4.467 4.470 -0.000 0.000 0.225 221 S C 1.034 175.780 174.600 0.243 0.000 1.039 221 S CA 0.751 59.048 58.200 0.161 0.000 1.033 221 S CB -0.555 62.713 63.200 0.114 0.000 0.887 221 S HN 0.385 nan 8.310 nan 0.000 0.447 222 L N 1.165 122.586 121.223 0.331 0.000 2.436 222 L HA 0.325 4.665 4.340 -0.000 0.000 0.265 222 L C 1.161 178.302 176.870 0.451 0.000 1.168 222 L CA -0.548 54.619 54.840 0.546 0.000 0.815 222 L CB 0.121 42.556 42.059 0.625 0.000 1.109 222 L HN 0.250 nan 8.230 nan 0.000 0.462 223 G N 2.042 110.981 108.800 0.233 0.000 2.843 223 G HA2 0.246 4.206 3.960 -0.000 0.000 0.275 223 G HA3 0.246 4.206 3.960 -0.000 0.000 0.275 223 G C -0.480 174.215 174.900 -0.341 0.000 0.709 223 G CA 0.037 45.071 45.100 -0.110 0.000 2.089 223 G HN 0.257 nan 8.290 nan 0.000 0.571 224 F N -0.444 119.477 119.950 -0.047 0.000 2.953 224 F HA 0.589 5.115 4.527 -0.000 0.000 0.360 224 F C 0.070 175.854 175.800 -0.028 0.000 1.249 224 F CA -1.398 56.553 58.000 -0.082 0.000 1.063 224 F CB 1.917 40.807 39.000 -0.183 0.000 1.500 224 F HN 0.227 nan 8.300 nan 0.000 0.517 225 N N -0.320 118.501 118.700 0.201 0.000 2.478 225 N HA 0.128 4.868 4.740 -0.000 0.000 0.291 225 N C -0.050 175.513 175.510 0.089 0.000 1.090 225 N CA -0.239 52.887 53.050 0.126 0.000 0.911 225 N CB 1.495 40.058 38.487 0.127 0.000 1.546 225 N HN 0.645 nan 8.380 nan 0.000 0.500 226 E N 1.990 122.252 120.200 0.103 0.000 2.284 226 E HA -0.173 4.177 4.350 -0.000 0.000 0.200 226 E C 0.394 177.064 176.600 0.116 0.000 1.008 226 E CA 1.745 58.235 56.400 0.149 0.000 0.829 226 E CB 0.254 30.051 29.700 0.162 0.000 0.744 226 E HN 0.544 nan 8.360 nan 0.000 0.491 227 V N -1.905 118.015 119.914 0.011 0.000 3.359 227 V HA 0.080 4.200 4.120 -0.000 0.000 0.245 227 V C 1.567 177.756 176.094 0.158 0.000 1.247 227 V CA 0.164 62.458 62.300 -0.010 0.000 1.145 227 V CB -0.264 31.356 31.823 -0.337 0.000 0.906 227 V HN 0.179 nan 8.190 nan 0.000 0.464 228 F N 1.765 121.786 119.950 0.118 0.000 2.656 228 F HA 0.284 4.811 4.527 -0.000 0.000 0.291 228 F C 0.956 176.796 175.800 0.067 0.000 1.122 228 F CA 0.544 58.564 58.000 0.033 0.000 1.427 228 F CB 0.763 39.768 39.000 0.009 0.000 1.125 228 F HN 0.311 nan 8.300 nan 0.000 0.583 229 S N 0.392 116.349 115.700 0.427 0.000 2.382 229 S HA 0.394 4.864 4.470 -0.000 0.000 0.228 229 S C -1.007 173.864 174.600 0.451 0.000 0.996 229 S CA -0.893 57.607 58.200 0.500 0.000 1.094 229 S CB 0.688 64.072 63.200 0.307 0.000 1.209 229 S HN 0.121 nan 8.310 nan 0.000 0.420 230 R N 3.103 123.889 120.500 0.476 0.000 2.255 230 R HA 0.399 4.739 4.340 -0.000 0.000 0.326 230 R C -2.114 173.980 176.300 -0.344 0.000 0.986 230 R CA -2.335 53.449 56.100 -0.527 0.000 0.847 230 R CB 0.909 30.614 30.300 -0.992 0.000 1.111 230 R HN 0.301 nan 8.270 nan 0.000 0.452 231 P HA -0.303 nan 4.420 nan 0.000 0.219 231 P C 0.536 177.840 177.300 0.007 0.000 1.153 231 P CA 1.465 64.391 63.100 -0.290 0.000 0.865 231 P CB 0.113 31.525 31.700 -0.480 0.000 0.788 232 E N -2.240 117.878 120.200 -0.137 0.000 2.527 232 E HA -0.169 4.181 4.350 -0.000 0.000 0.204 232 E C 0.768 177.237 176.600 -0.218 0.000 1.132 232 E CA 0.411 56.694 56.400 -0.195 0.000 0.905 232 E CB -0.768 28.762 29.700 -0.282 0.000 0.875 232 E HN 0.406 nan 8.360 nan 0.000 0.548 233 W N 0.074 121.383 121.300 0.015 0.000 2.868 233 W HA 0.314 4.974 4.660 -0.000 0.000 0.320 233 W C 1.517 178.102 176.519 0.110 0.000 1.076 233 W CA -0.333 57.049 57.345 0.062 0.000 1.576 233 W CB 0.110 29.633 29.460 0.106 0.000 1.030 233 W HN 0.112 nan 8.180 nan 0.000 0.558 234 M N -0.067 119.710 119.600 0.295 0.000 2.549 234 M HA -0.022 4.458 4.480 -0.000 0.000 0.260 234 M C 0.136 176.531 176.300 0.160 0.000 1.076 234 M CA 1.170 56.690 55.300 0.367 0.000 1.090 234 M CB -0.444 32.266 32.600 0.183 0.000 1.418 234 M HN -0.315 nan 8.290 nan 0.000 0.486 235 I N 1.287 121.854 120.570 -0.005 0.000 2.353 235 I HA 0.222 4.392 4.170 -0.000 0.000 0.293 235 I C -0.053 176.087 176.117 0.038 0.000 0.992 235 I CA -0.330 60.915 61.300 -0.093 0.000 1.268 235 I CB 1.118 38.973 38.000 -0.242 0.000 1.387 235 I HN 0.012 nan 8.210 nan 0.000 0.478 236 L N 6.062 127.308 121.223 0.039 0.000 2.350 236 L HA 0.407 4.747 4.340 -0.000 0.000 0.275 236 L C 0.684 177.587 176.870 0.054 0.000 1.099 236 L CA 0.016 54.883 54.840 0.044 0.000 0.808 236 L CB 1.018 43.077 42.059 -0.001 0.000 1.149 236 L HN 0.720 nan 8.230 nan 0.000 0.442 237 T N -0.325 114.269 114.554 0.066 0.000 3.232 237 T HA 0.043 4.393 4.350 -0.000 0.000 0.259 237 T C 0.125 174.855 174.700 0.050 0.000 0.987 237 T CA 0.079 62.217 62.100 0.063 0.000 1.096 237 T CB 0.413 69.333 68.868 0.086 0.000 1.131 237 T HN 0.610 nan 8.240 nan 0.000 0.445 238 C N 2.431 121.766 119.300 0.059 0.000 2.411 238 C HA 0.853 5.313 4.460 -0.000 0.000 0.330 238 C C -1.063 173.940 174.990 0.021 0.000 1.224 238 C CA -0.995 58.054 59.018 0.052 0.000 1.770 238 C CB 0.083 27.883 27.740 0.101 0.000 2.297 238 C HN 0.485 nan 8.230 nan 0.000 0.507 239 L N 8.246 129.474 121.223 0.008 0.000 2.325 239 L HA 0.618 4.958 4.340 -0.000 0.000 0.281 239 L C -2.125 174.767 176.870 0.036 0.000 1.004 239 L CA -1.777 53.064 54.840 0.001 0.000 0.823 239 L CB 1.916 43.956 42.059 -0.031 0.000 1.236 239 L HN 0.543 nan 8.230 nan 0.000 0.415 240 P HA 0.114 nan 4.420 nan 0.000 0.276 240 P C -1.067 176.353 177.300 0.199 0.000 1.230 240 P CA -0.164 63.030 63.100 0.157 0.000 0.776 240 P CB 1.353 33.101 31.700 0.080 0.000 0.888 241 V N 5.760 125.757 119.914 0.138 0.000 2.293 241 V HA 0.213 4.332 4.120 -0.000 0.000 0.275 241 V C -1.823 174.070 176.094 -0.336 0.000 1.021 241 V CA -2.155 60.123 62.300 -0.036 0.000 0.815 241 V CB 0.975 32.783 31.823 -0.025 0.000 1.025 241 V HN 0.547 nan 8.190 nan 0.000 0.448 242 P HA 0.095 nan 4.420 nan 0.000 0.260 242 P C -2.418 174.618 177.300 -0.440 0.000 1.185 242 P CA -0.715 61.943 63.100 -0.737 0.000 0.763 242 P CB 0.242 31.750 31.700 -0.320 0.000 0.776 243 P HA 0.042 nan 4.420 nan 0.000 0.270 243 P C -1.632 175.567 177.300 -0.168 0.000 1.223 243 P CA -1.256 61.702 63.100 -0.236 0.000 0.785 243 P CB -0.434 31.143 31.700 -0.205 0.000 0.923 244 P HA -0.214 nan 4.420 nan 0.000 0.218 244 P C -1.144 176.101 177.300 -0.092 0.000 1.132 244 P CA 2.864 65.911 63.100 -0.088 0.000 0.968 244 P CB -2.463 29.198 31.700 -0.065 0.000 0.783 245 P HA -0.127 nan 4.420 nan 0.000 0.221 245 P C 1.448 178.701 177.300 -0.079 0.000 1.140 245 P CA 1.128 64.180 63.100 -0.080 0.000 0.797 245 P CB -0.433 31.219 31.700 -0.080 0.000 0.756 246 V N -1.135 118.722 119.914 -0.094 0.000 3.431 246 V HA 0.027 4.147 4.120 -0.000 0.000 0.253 246 V C 1.397 177.447 176.094 -0.074 0.000 1.184 246 V CA 0.853 63.104 62.300 -0.082 0.000 1.104 246 V CB -0.460 31.303 31.823 -0.101 0.000 0.799 246 V HN 0.215 nan 8.190 nan 0.000 0.462 247 R N 1.021 121.473 120.500 -0.081 0.000 2.638 247 R HA 0.313 4.653 4.340 -0.000 0.000 0.269 247 R C -2.994 173.251 176.300 -0.091 0.000 1.393 247 R CA -1.278 54.775 56.100 -0.078 0.000 1.531 247 R CB 0.020 30.281 30.300 -0.064 0.000 1.327 247 R HN 0.200 nan 8.270 nan 0.000 0.709 248 P HA -0.108 nan 4.420 nan 0.000 0.267 248 P C 0.388 177.619 177.300 -0.114 0.000 1.201 248 P CA 0.456 63.501 63.100 -0.092 0.000 0.775 248 P CB 1.125 32.775 31.700 -0.084 0.000 0.854 249 S N 2.746 118.375 115.700 -0.117 0.000 2.136 249 S HA 0.363 4.833 4.470 -0.000 0.000 0.205 249 S C 0.558 175.052 174.600 -0.177 0.000 1.346 249 S CA -0.085 58.027 58.200 -0.146 0.000 1.084 249 S CB -0.057 63.067 63.200 -0.127 0.000 0.767 249 S HN 0.543 nan 8.310 nan 0.000 0.423 250 I N 0.933 121.371 120.570 -0.220 0.000 2.761 250 I HA 0.086 4.256 4.170 -0.000 0.000 0.285 250 I C -1.316 174.546 176.117 -0.425 0.000 1.619 250 I CA 0.032 61.154 61.300 -0.295 0.000 1.186 250 I CB 0.957 38.758 38.000 -0.332 0.000 1.602 250 I HN 0.918 nan 8.210 nan 0.000 0.424 251 S N 5.551 121.043 115.700 -0.347 0.000 2.478 251 S HA 0.695 5.165 4.470 -0.000 0.000 0.312 251 S C -0.530 173.907 174.600 -0.271 0.000 1.094 251 S CA -0.594 57.410 58.200 -0.325 0.000 1.081 251 S CB 0.969 64.083 63.200 -0.143 0.000 1.007 251 S HN 0.310 nan 8.310 nan 0.000 0.475 252 F N 4.123 124.064 119.950 -0.014 0.000 2.661 252 F HA 0.320 4.847 4.527 -0.000 0.000 0.356 252 F C 1.381 177.176 175.800 -0.008 0.000 1.244 252 F CA -0.473 57.521 58.000 -0.010 0.000 1.290 252 F CB -1.033 37.962 39.000 -0.008 0.000 1.677 252 F HN 0.740 nan 8.300 nan 0.000 0.649 253 N N 0.380 119.141 118.700 0.102 0.000 3.988 253 N HA -0.257 4.483 4.740 -0.000 0.000 0.234 253 N C 0.690 176.223 175.510 0.039 0.000 0.264 253 N CA 1.794 54.882 53.050 0.062 0.000 2.979 253 N CB -0.545 37.986 38.487 0.073 0.000 1.416 253 N HN 0.519 nan 8.380 nan 0.000 0.300 254 E N -0.108 120.125 120.200 0.055 0.000 4.500 254 E HA 0.191 4.540 4.350 -0.000 0.000 0.170 254 E C -0.365 176.268 176.600 0.054 0.000 1.197 254 E CA 0.309 56.731 56.400 0.036 0.000 0.777 254 E CB 0.011 29.726 29.700 0.025 0.000 2.333 254 E HN 0.366 nan 8.360 nan 0.000 0.479 255 S N 1.575 117.303 115.700 0.046 0.000 3.182 255 S HA -0.200 4.269 4.470 -0.000 0.000 0.180 255 S C -0.161 174.487 174.600 0.080 0.000 0.496 255 S CA 0.771 59.002 58.200 0.050 0.000 1.761 255 S CB -0.957 62.266 63.200 0.038 0.000 0.992 255 S HN 0.268 nan 8.310 nan 0.000 0.464 256 Q N -0.335 119.526 119.800 0.102 0.000 2.633 256 Q HA 0.388 4.727 4.340 -0.000 0.000 0.289 256 Q C -0.009 176.065 176.000 0.123 0.000 0.940 256 Q CA -1.250 54.656 55.803 0.173 0.000 0.785 256 Q CB 1.489 30.437 28.738 0.350 0.000 1.467 256 Q HN 0.419 nan 8.270 nan 0.000 0.401 257 R N -0.212 120.379 120.500 0.151 0.000 0.642 257 R HA 0.548 4.888 4.340 -0.000 0.000 0.048 257 R C 0.684 176.920 176.300 -0.107 0.000 0.504 257 R CA 0.516 56.647 56.100 0.052 0.000 2.167 257 R CB -0.282 30.080 30.300 0.103 0.000 0.523 257 R HN 0.898 nan 8.270 nan 0.000 0.801 258 G N -0.467 108.253 108.800 -0.134 0.000 2.273 258 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.162 258 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.162 258 G C -0.415 174.336 174.900 -0.248 0.000 1.006 258 G CA -0.543 44.373 45.100 -0.307 0.000 0.704 258 G HN 0.254 nan 8.290 nan 0.000 0.487 259 E N 1.614 121.664 120.200 -0.250 0.000 2.604 259 E HA 0.074 4.424 4.350 -0.000 0.000 0.267 259 E C 0.129 176.492 176.600 -0.396 0.000 0.970 259 E CA 0.272 56.459 56.400 -0.355 0.000 0.956 259 E CB 0.621 29.994 29.700 -0.545 0.000 0.939 259 E HN 0.462 nan 8.360 nan 0.000 0.465 260 D N 1.915 122.130 120.400 -0.308 0.000 2.302 260 D HA -0.014 4.626 4.640 -0.000 0.000 0.248 260 D C 0.407 176.556 176.300 -0.250 0.000 1.094 260 D CA -0.278 53.585 54.000 -0.229 0.000 0.897 260 D CB 0.777 41.488 40.800 -0.147 0.000 1.200 260 D HN 0.234 nan 8.370 nan 0.000 0.429 261 D N 2.179 122.483 120.400 -0.161 0.000 2.192 261 D HA -0.243 4.397 4.640 -0.000 0.000 0.189 261 D C 1.960 178.252 176.300 -0.014 0.000 1.007 261 D CA 1.631 55.585 54.000 -0.076 0.000 0.859 261 D CB 0.102 40.889 40.800 -0.023 0.000 0.936 261 D HN 0.416 nan 8.370 nan 0.000 0.447 262 L N 0.118 121.337 121.223 -0.007 0.000 1.971 262 L HA -0.248 4.091 4.340 -0.000 0.000 0.215 262 L C 2.565 179.483 176.870 0.081 0.000 1.072 262 L CA 1.655 56.539 54.840 0.072 0.000 0.758 262 L CB -0.936 41.156 42.059 0.054 0.000 0.889 262 L HN 0.145 nan 8.230 nan 0.000 0.433 263 T N -0.270 114.284 114.554 -0.001 0.000 2.714 263 T HA -0.279 4.071 4.350 -0.000 0.000 0.268 263 T C 1.613 176.405 174.700 0.154 0.000 1.036 263 T CA 1.800 63.910 62.100 0.016 0.000 1.148 263 T CB -0.432 68.392 68.868 -0.073 0.000 0.856 263 T HN 0.217 nan 8.240 nan 0.000 0.462 264 F N 0.737 120.681 119.950 -0.010 0.000 2.074 264 F HA -0.069 4.458 4.527 -0.000 0.000 0.293 264 F C 2.653 178.422 175.800 -0.052 0.000 1.116 264 F CA 0.778 58.764 58.000 -0.023 0.000 1.212 264 F CB -0.181 38.809 39.000 -0.016 0.000 0.998 264 F HN 0.006 nan 8.300 nan 0.000 0.471 265 K N 1.280 121.784 120.400 0.174 0.000 2.107 265 K HA -0.232 4.088 4.320 -0.000 0.000 0.211 265 K C 1.738 178.288 176.600 -0.083 0.000 1.049 265 K CA 1.517 57.819 56.287 0.026 0.000 0.927 265 K CB -0.816 31.770 32.500 0.143 0.000 0.714 265 K HN 0.239 nan 8.250 nan 0.000 0.452 266 L N -0.589 120.591 121.223 -0.071 0.000 1.976 266 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 266 L C 2.446 179.268 176.870 -0.080 0.000 1.071 266 L CA 1.482 56.216 54.840 -0.177 0.000 0.746 266 L CB -0.810 41.178 42.059 -0.119 0.000 0.890 266 L HN 0.306 nan 8.230 nan 0.000 0.432 267 A N -0.340 122.483 122.820 0.005 0.000 1.958 267 A HA -0.295 4.025 4.320 -0.000 0.000 0.221 267 A C 1.963 179.537 177.584 -0.017 0.000 1.178 267 A CA 2.291 54.338 52.037 0.017 0.000 0.642 267 A CB -0.616 18.424 19.000 0.067 0.000 0.816 267 A HN 0.418 nan 8.150 nan 0.000 0.453 268 D N -0.232 120.133 120.400 -0.057 0.000 2.097 268 D HA -0.079 4.560 4.640 -0.000 0.000 0.197 268 D C 1.897 178.285 176.300 0.146 0.000 0.984 268 D CA 1.097 55.060 54.000 -0.061 0.000 0.826 268 D CB -0.276 40.260 40.800 -0.440 0.000 0.973 268 D HN 0.514 nan 8.370 nan 0.000 0.460 269 I N 0.548 121.152 120.570 0.056 0.000 2.361 269 I HA -0.234 3.936 4.170 -0.000 0.000 0.251 269 I C 2.249 178.394 176.117 0.046 0.000 1.133 269 I CA 0.287 61.651 61.300 0.107 0.000 1.413 269 I CB -0.041 37.917 38.000 -0.069 0.000 1.073 269 I HN 0.070 nan 8.210 nan 0.000 0.424 270 L N 1.213 122.437 121.223 0.001 0.000 1.976 270 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 270 L C 2.428 179.299 176.870 0.002 0.000 1.071 270 L CA 1.944 56.777 54.840 -0.012 0.000 0.746 270 L CB -0.966 41.084 42.059 -0.014 0.000 0.890 270 L HN 0.111 nan 8.230 nan 0.000 0.432 271 K N -0.423 119.988 120.400 0.018 0.000 2.015 271 K HA -0.191 4.129 4.320 -0.000 0.000 0.216 271 K C 1.844 178.454 176.600 0.017 0.000 1.052 271 K CA 1.803 58.097 56.287 0.013 0.000 0.937 271 K CB -0.603 31.913 32.500 0.027 0.000 0.719 271 K HN 0.433 nan 8.250 nan 0.000 0.446 272 A N 1.148 124.003 122.820 0.057 0.000 2.272 272 A HA -0.195 4.125 4.320 -0.000 0.000 0.213 272 A C 1.667 179.249 177.584 -0.005 0.000 1.183 272 A CA 1.723 53.767 52.037 0.010 0.000 0.719 272 A CB -0.658 18.327 19.000 -0.024 0.000 0.771 272 A HN 0.379 nan 8.150 nan 0.000 0.484 273 N N -0.193 118.508 118.700 0.002 0.000 2.324 273 N HA 0.052 4.792 4.740 -0.000 0.000 0.192 273 N C 1.485 176.983 175.510 -0.019 0.000 1.046 273 N CA 0.987 54.031 53.050 -0.010 0.000 0.898 273 N CB -0.262 38.214 38.487 -0.018 0.000 1.079 273 N HN 0.297 nan 8.380 nan 0.000 0.456 274 I N 0.915 121.468 120.570 -0.030 0.000 2.113 274 I HA -0.381 3.789 4.170 -0.000 0.000 0.242 274 I C 2.277 178.378 176.117 -0.026 0.000 1.057 274 I CA 1.844 63.121 61.300 -0.037 0.000 1.314 274 I CB -0.760 37.204 38.000 -0.061 0.000 1.022 274 I HN 0.362 nan 8.210 nan 0.000 0.408 275 S N 0.996 116.680 115.700 -0.027 0.000 2.419 275 S HA -0.205 4.265 4.470 -0.000 0.000 0.235 275 S C 1.815 176.402 174.600 -0.022 0.000 1.019 275 S CA 1.091 59.276 58.200 -0.025 0.000 0.982 275 S CB -0.742 62.441 63.200 -0.027 0.000 0.789 275 S HN 0.438 nan 8.310 nan 0.000 0.490 276 L N 0.966 122.176 121.223 -0.021 0.000 2.627 276 L HA 0.348 4.688 4.340 -0.000 0.000 0.233 276 L C 1.965 178.826 176.870 -0.015 0.000 1.144 276 L CA 0.856 55.684 54.840 -0.020 0.000 0.892 276 L CB -0.213 41.835 42.059 -0.017 0.000 1.039 276 L HN 0.494 nan 8.230 nan 0.000 0.442 277 E N -2.232 117.966 120.200 -0.004 0.000 2.354 277 E HA -0.041 4.309 4.350 -0.000 0.000 0.203 277 E C 1.465 178.097 176.600 0.053 0.000 0.841 277 E CA 0.496 56.911 56.400 0.024 0.000 1.046 277 E CB 0.261 29.984 29.700 0.038 0.000 1.040 277 E HN 0.274 nan 8.360 nan 0.000 0.504 278 T N 1.625 116.197 114.554 0.030 0.000 3.077 278 T HA 0.005 4.355 4.350 -0.000 0.000 0.269 278 T C 1.441 176.152 174.700 0.019 0.000 1.146 278 T CA 0.643 62.763 62.100 0.033 0.000 1.091 278 T CB 0.012 68.880 68.868 -0.001 0.000 0.892 278 T HN 0.168 nan 8.240 nan 0.000 0.533 279 L N -0.163 121.055 121.223 -0.008 0.000 2.590 279 L HA 0.252 4.592 4.340 -0.000 0.000 0.227 279 L C 2.035 178.863 176.870 -0.070 0.000 1.099 279 L CA 0.514 55.333 54.840 -0.034 0.000 0.872 279 L CB 0.047 42.082 42.059 -0.039 0.000 1.088 279 L HN 0.214 nan 8.230 nan 0.000 0.479 280 E N -0.718 119.420 120.200 -0.103 0.000 2.479 280 E HA 0.019 4.369 4.350 -0.000 0.000 0.193 280 E C 0.284 176.645 176.600 -0.398 0.000 1.049 280 E CA 0.239 56.498 56.400 -0.235 0.000 0.870 280 E CB 0.421 29.954 29.700 -0.277 0.000 0.944 280 E HN 0.444 nan 8.360 nan 0.000 0.492 281 H N -0.166 118.884 119.070 -0.035 0.000 2.637 281 H HA 0.357 4.913 4.556 -0.000 0.000 0.245 281 H C -0.114 175.192 175.328 -0.036 0.000 1.190 281 H CA -0.139 55.890 56.048 -0.032 0.000 0.934 281 H CB 0.336 30.082 29.762 -0.027 0.000 1.950 281 H HN 0.043 nan 8.280 nan 0.000 0.614 282 N N -0.831 117.881 118.700 0.021 0.000 3.622 282 N HA 0.047 4.787 4.740 -0.000 0.000 0.352 282 N C 0.265 175.750 175.510 -0.042 0.000 1.559 282 N CA -0.419 52.630 53.050 -0.002 0.000 0.801 282 N CB 0.096 38.585 38.487 0.003 0.000 2.399 282 N HN 0.208 nan 8.380 nan 0.000 0.545 283 G N 0.508 109.282 108.800 -0.043 0.000 2.472 283 G HA2 0.356 4.316 3.960 -0.000 0.000 0.291 283 G HA3 0.356 4.316 3.960 -0.000 0.000 0.291 283 G C -0.041 174.807 174.900 -0.086 0.000 0.898 283 G CA 0.274 45.337 45.100 -0.062 0.000 1.645 283 G HN 0.543 nan 8.290 nan 0.000 0.459 284 A N 5.624 128.366 122.820 -0.130 0.000 3.016 284 A HA 0.519 4.839 4.320 -0.000 0.000 0.303 284 A C -1.545 175.892 177.584 -0.246 0.000 1.507 284 A CA -1.359 50.574 52.037 -0.172 0.000 1.196 284 A CB 0.300 19.181 19.000 -0.199 0.000 1.169 284 A HN 0.507 nan 8.150 nan 0.000 0.544 285 P HA -0.009 nan 4.420 nan 0.000 0.264 285 P C 0.716 177.935 177.300 -0.136 0.000 1.537 285 P CA 0.130 63.139 63.100 -0.151 0.000 1.189 285 P CB -0.112 31.547 31.700 -0.068 0.000 1.687 286 H N 1.959 120.926 119.070 -0.171 0.000 1.835 286 H HA -0.235 4.321 4.556 -0.000 0.000 0.171 286 H C 0.515 175.658 175.328 -0.307 0.000 1.199 286 H CA 1.988 57.843 56.048 -0.322 0.000 1.661 286 H CB -0.899 28.523 29.762 -0.566 0.000 1.993 286 H HN 0.643 nan 8.280 nan 0.000 0.831 287 H N -1.050 118.098 119.070 0.130 0.000 2.533 287 H HA 0.588 5.144 4.556 -0.000 0.000 0.281 287 H C 0.458 175.802 175.328 0.028 0.000 1.238 287 H CA 0.560 56.645 56.048 0.062 0.000 1.024 287 H CB 0.198 29.989 29.762 0.049 0.000 1.604 287 H HN 0.429 nan 8.280 nan 0.000 0.531 288 A N 0.402 123.272 122.820 0.084 0.000 2.622 288 A HA 0.223 4.543 4.320 -0.000 0.000 0.283 288 A C 0.821 178.413 177.584 0.013 0.000 0.998 288 A CA -0.064 51.995 52.037 0.037 0.000 0.985 288 A CB 0.362 19.369 19.000 0.011 0.000 1.236 288 A HN 0.183 nan 8.150 nan 0.000 0.559 289 I N 0.122 120.708 120.570 0.027 0.000 3.565 289 I HA 0.006 4.176 4.170 -0.000 0.000 0.287 289 I C 1.951 178.081 176.117 0.021 0.000 1.193 289 I CA 1.189 62.495 61.300 0.010 0.000 1.402 289 I CB -0.780 37.222 38.000 0.003 0.000 1.284 289 I HN 0.637 nan 8.210 nan 0.000 0.454 290 E N 1.261 121.493 120.200 0.053 0.000 2.520 290 E HA -0.130 4.220 4.350 -0.000 0.000 0.201 290 E C 0.780 177.389 176.600 0.014 0.000 1.122 290 E CA 0.660 57.085 56.400 0.042 0.000 0.896 290 E CB -0.182 29.560 29.700 0.070 0.000 0.891 290 E HN 0.514 nan 8.360 nan 0.000 0.533 291 E N -0.330 119.873 120.200 0.005 0.000 2.526 291 E HA 0.196 4.546 4.350 -0.000 0.000 0.208 291 E C 1.104 177.681 176.600 -0.038 0.000 0.997 291 E CA 0.364 56.754 56.400 -0.018 0.000 0.961 291 E CB 0.859 30.552 29.700 -0.011 0.000 1.030 291 E HN 0.382 nan 8.360 nan 0.000 0.483 292 A N 0.310 123.111 122.820 -0.031 0.000 2.390 292 A HA 0.101 4.420 4.320 -0.000 0.000 0.225 292 A C 1.666 179.226 177.584 -0.039 0.000 1.232 292 A CA -0.174 51.836 52.037 -0.046 0.000 0.964 292 A CB 0.337 19.314 19.000 -0.038 0.000 1.064 292 A HN 0.062 nan 8.150 nan 0.000 0.525 293 E N 0.892 121.080 120.200 -0.020 0.000 2.122 293 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 293 E C 2.004 178.601 176.600 -0.005 0.000 0.977 293 E CA 1.210 57.606 56.400 -0.006 0.000 0.820 293 E CB 0.054 29.760 29.700 0.011 0.000 0.770 293 E HN 0.629 nan 8.360 nan 0.000 0.462 294 S N 0.826 116.518 115.700 -0.014 0.000 2.440 294 S HA -0.183 4.287 4.470 -0.000 0.000 0.238 294 S C 2.009 176.615 174.600 0.009 0.000 1.010 294 S CA 0.789 58.985 58.200 -0.007 0.000 0.972 294 S CB -0.317 62.866 63.200 -0.028 0.000 0.774 294 S HN 0.243 nan 8.310 nan 0.000 0.501 295 L N 0.590 121.784 121.223 -0.049 0.000 2.027 295 L HA 0.143 4.482 4.340 -0.000 0.000 0.206 295 L C 2.299 179.138 176.870 -0.051 0.000 1.074 295 L CA 1.421 56.194 54.840 -0.111 0.000 0.745 295 L CB -0.808 41.132 42.059 -0.198 0.000 0.898 295 L HN 0.369 nan 8.230 nan 0.000 0.433 296 L N -0.479 120.728 121.223 -0.028 0.000 1.976 296 L HA -0.245 4.095 4.340 -0.000 0.000 0.209 296 L C 2.612 179.535 176.870 0.088 0.000 1.071 296 L CA 2.158 57.012 54.840 0.023 0.000 0.746 296 L CB -0.895 41.176 42.059 0.020 0.000 0.890 296 L HN 0.482 nan 8.230 nan 0.000 0.432 297 Q N -1.317 118.532 119.800 0.083 0.000 2.248 297 Q HA -0.282 4.058 4.340 -0.000 0.000 0.208 297 Q C 1.917 177.997 176.000 0.132 0.000 0.984 297 Q CA 2.135 57.994 55.803 0.094 0.000 0.875 297 Q CB -0.557 28.209 28.738 0.048 0.000 0.910 297 Q HN 0.568 nan 8.270 nan 0.000 0.433 298 F N -0.561 119.394 119.950 0.009 0.000 2.037 298 F HA -0.080 4.447 4.527 -0.000 0.000 0.291 298 F C 2.022 177.914 175.800 0.153 0.000 1.137 298 F CA 2.098 60.125 58.000 0.046 0.000 1.178 298 F CB -0.693 38.303 39.000 -0.007 0.000 0.995 298 F HN 0.203 nan 8.300 nan 0.000 0.472 299 H N -0.751 118.384 119.070 0.109 0.000 2.265 299 H HA -0.214 4.342 4.556 -0.000 0.000 0.293 299 H C 2.327 177.617 175.328 -0.063 0.000 1.089 299 H CA 1.683 57.714 56.048 -0.028 0.000 1.244 299 H CB -0.538 29.276 29.762 0.087 0.000 1.355 299 H HN 0.192 nan 8.280 nan 0.000 0.485 300 V N 0.890 120.880 119.914 0.127 0.000 2.453 300 V HA -0.319 3.800 4.120 -0.000 0.000 0.252 300 V C 2.545 178.713 176.094 0.124 0.000 1.068 300 V CA 1.582 63.938 62.300 0.094 0.000 1.070 300 V CB -0.831 31.035 31.823 0.073 0.000 0.664 300 V HN 0.533 nan 8.190 nan 0.000 0.461 301 A N -0.999 121.846 122.820 0.043 0.000 1.840 301 A HA -0.210 4.110 4.320 -0.000 0.000 0.214 301 A C 2.449 180.013 177.584 -0.034 0.000 1.198 301 A CA 2.248 54.295 52.037 0.017 0.000 0.608 301 A CB -1.149 17.837 19.000 -0.025 0.000 0.839 301 A HN 0.404 nan 8.150 nan 0.000 0.443 302 T N -1.719 112.713 114.554 -0.203 0.000 2.803 302 T HA -0.216 4.134 4.350 -0.000 0.000 0.269 302 T C 1.688 176.368 174.700 -0.034 0.000 1.052 302 T CA 1.890 63.868 62.100 -0.203 0.000 1.136 302 T CB -0.501 68.100 68.868 -0.444 0.000 0.864 302 T HN 0.532 nan 8.240 nan 0.000 0.467 303 Y N 1.170 121.404 120.300 -0.110 0.000 2.151 303 Y HA -0.184 4.366 4.550 -0.000 0.000 0.284 303 Y C 2.055 177.945 175.900 -0.017 0.000 1.166 303 Y CA 1.765 59.831 58.100 -0.056 0.000 1.163 303 Y CB -0.371 38.067 38.460 -0.035 0.000 0.974 303 Y HN 0.275 nan 8.280 nan 0.000 0.511 304 M N -1.011 118.555 119.600 -0.056 0.000 2.276 304 M HA 0.003 4.483 4.480 -0.000 0.000 0.262 304 M C 0.233 176.516 176.300 -0.028 0.000 1.098 304 M CA 1.102 56.339 55.300 -0.105 0.000 1.167 304 M CB 0.002 32.645 32.600 0.073 0.000 1.337 304 M HN 0.065 nan 8.290 nan 0.000 0.446 305 D N -0.537 119.868 120.400 0.008 0.000 2.457 305 D HA 0.204 4.844 4.640 -0.000 0.000 0.240 305 D C -0.571 175.714 176.300 -0.026 0.000 1.041 305 D CA -0.069 53.934 54.000 0.005 0.000 0.861 305 D CB 1.821 42.643 40.800 0.038 0.000 1.394 305 D HN -0.057 nan 8.370 nan 0.000 0.473 306 N N 1.252 119.937 118.700 -0.026 0.000 2.325 306 N HA -0.021 4.719 4.740 -0.000 0.000 0.220 306 N C -0.771 174.735 175.510 -0.007 0.000 1.176 306 N CA 0.112 53.145 53.050 -0.028 0.000 0.861 306 N CB 0.539 39.012 38.487 -0.023 0.000 1.230 306 N HN 0.294 nan 8.380 nan 0.000 0.479 307 D N 2.102 122.499 120.400 -0.005 0.000 2.994 307 D HA 0.143 4.783 4.640 -0.000 0.000 0.240 307 D C 0.508 176.814 176.300 0.010 0.000 1.195 307 D CA -0.067 53.935 54.000 0.003 0.000 0.957 307 D CB -0.082 40.714 40.800 -0.006 0.000 1.105 307 D HN 0.229 nan 8.370 nan 0.000 0.477 308 I N 0.538 121.118 120.570 0.018 0.000 2.938 308 I HA 0.062 4.231 4.170 -0.000 0.000 0.285 308 I C 1.791 177.926 176.117 0.030 0.000 1.182 308 I CA -0.346 60.970 61.300 0.026 0.000 1.388 308 I CB 0.227 38.248 38.000 0.035 0.000 1.390 308 I HN 0.087 nan 8.210 nan 0.000 0.600 309 A N 3.858 126.696 122.820 0.030 0.000 1.968 309 A HA 0.034 4.354 4.320 -0.000 0.000 0.217 309 A C 1.578 179.183 177.584 0.034 0.000 1.169 309 A CA 1.097 53.150 52.037 0.028 0.000 0.638 309 A CB -0.881 18.134 19.000 0.025 0.000 0.812 309 A HN 0.879 nan 8.150 nan 0.000 0.446 310 G N -0.272 108.553 108.800 0.043 0.000 2.852 310 G HA2 0.330 4.290 3.960 -0.000 0.000 0.280 310 G HA3 0.330 4.290 3.960 -0.000 0.000 0.280 310 G C 0.547 175.484 174.900 0.061 0.000 0.731 310 G CA 0.234 45.363 45.100 0.049 0.000 2.037 310 G HN 0.585 nan 8.290 nan 0.000 0.560 311 Q N 0.269 120.098 119.800 0.048 0.000 2.629 311 Q HA -0.268 4.072 4.340 -0.000 0.000 0.236 311 Q C -1.048 174.993 176.000 0.068 0.000 1.166 311 Q CA 2.017 57.849 55.803 0.049 0.000 1.024 311 Q CB -2.072 26.688 28.738 0.036 0.000 0.949 311 Q HN 0.486 nan 8.270 nan 0.000 0.570 312 P HA -0.122 nan 4.420 nan 0.000 0.255 312 P C -0.250 177.146 177.300 0.159 0.000 1.161 312 P CA 1.023 64.192 63.100 0.116 0.000 0.768 312 P CB 0.264 32.037 31.700 0.121 0.000 0.746 313 Q N 3.180 123.057 119.800 0.128 0.000 2.444 313 Q HA 0.132 4.471 4.340 -0.000 0.000 0.206 313 Q C 0.538 176.627 176.000 0.149 0.000 0.948 313 Q CA 0.449 56.319 55.803 0.111 0.000 0.946 313 Q CB 0.073 28.854 28.738 0.072 0.000 1.027 313 Q HN 0.643 nan 8.270 nan 0.000 0.513 314 A N 0.943 123.918 122.820 0.259 0.000 2.429 314 A HA -0.186 4.134 4.320 -0.000 0.000 0.290 314 A C -0.057 177.635 177.584 0.180 0.000 1.439 314 A CA 0.125 52.368 52.037 0.343 0.000 0.731 314 A CB -2.130 17.027 19.000 0.262 0.000 1.138 314 A HN 0.378 nan 8.150 nan 0.000 0.384 315 L N 0.337 121.646 121.223 0.143 0.000 2.474 315 L HA 0.459 4.799 4.340 -0.000 0.000 0.259 315 L C 1.120 178.046 176.870 0.092 0.000 1.232 315 L CA 0.483 55.380 54.840 0.095 0.000 0.821 315 L CB 0.520 42.623 42.059 0.073 0.000 1.108 315 L HN 0.849 nan 8.230 nan 0.000 0.495 316 Q N 0.411 120.257 119.800 0.076 0.000 2.372 316 Q HA 0.355 4.695 4.340 -0.000 0.000 0.273 316 Q C -1.383 174.658 176.000 0.068 0.000 1.078 316 Q CA -1.196 54.653 55.803 0.078 0.000 0.806 316 Q CB 1.802 30.599 28.738 0.098 0.000 1.332 316 Q HN 0.248 nan 8.270 nan 0.000 0.435 317 K N 2.006 122.442 120.400 0.059 0.000 2.401 317 K HA -0.115 4.205 4.320 -0.000 0.000 0.267 317 K C 0.107 176.742 176.600 0.058 0.000 1.140 317 K CA 1.618 57.935 56.287 0.050 0.000 1.199 317 K CB -0.147 32.377 32.500 0.041 0.000 0.822 317 K HN 1.106 nan 8.250 nan 0.000 0.488 318 S N 0.188 115.915 115.700 0.045 0.000 1.934 318 S HA -0.111 4.359 4.470 -0.000 0.000 0.250 318 S C 0.862 175.484 174.600 0.037 0.000 1.384 318 S CA 1.104 59.328 58.200 0.040 0.000 1.104 318 S CB -1.904 61.325 63.200 0.048 0.000 1.409 318 S HN 1.386 nan 8.310 nan 0.000 0.645 319 G N 1.490 110.314 108.800 0.040 0.000 2.203 319 G HA2 -0.326 3.633 3.960 -0.000 0.000 0.263 319 G HA3 -0.326 3.633 3.960 -0.000 0.000 0.263 319 G C -0.094 174.828 174.900 0.037 0.000 1.012 319 G CA 0.553 45.675 45.100 0.037 0.000 0.749 319 G HN 0.799 nan 8.290 nan 0.000 0.512 320 R N 0.200 120.725 120.500 0.042 0.000 2.408 320 R HA 0.293 4.633 4.340 -0.000 0.000 0.308 320 R C -0.707 175.618 176.300 0.041 0.000 1.210 320 R CA -1.600 54.523 56.100 0.038 0.000 1.115 320 R CB 0.566 30.889 30.300 0.038 0.000 1.127 320 R HN 0.079 nan 8.270 nan 0.000 0.523 321 P HA -0.347 nan 4.420 nan 0.000 0.231 321 P C -0.417 176.908 177.300 0.040 0.000 0.982 321 P CA 1.502 64.624 63.100 0.037 0.000 1.072 321 P CB 0.162 31.877 31.700 0.025 0.000 0.706 322 V N -5.313 114.620 119.914 0.032 0.000 2.310 322 V HA -0.083 4.037 4.120 -0.000 0.000 0.374 322 V C -0.860 175.240 176.094 0.010 0.000 1.323 322 V CA -0.533 61.786 62.300 0.031 0.000 1.184 322 V CB -0.015 31.831 31.823 0.039 0.000 1.515 322 V HN 0.003 nan 8.190 nan 0.000 0.288 323 K N 2.124 122.525 120.400 0.002 0.000 2.478 323 K HA 0.557 4.877 4.320 -0.000 0.000 0.236 323 K C 0.165 176.741 176.600 -0.040 0.000 1.021 323 K CA 0.051 56.325 56.287 -0.021 0.000 1.010 323 K CB 1.476 33.960 32.500 -0.027 0.000 1.331 323 K HN 0.869 nan 8.250 nan 0.000 0.470 324 S N 1.413 117.084 115.700 -0.048 0.000 2.569 324 S HA 0.084 4.554 4.470 -0.000 0.000 0.274 324 S C 1.491 176.020 174.600 -0.119 0.000 1.353 324 S CA -0.472 57.679 58.200 -0.081 0.000 1.023 324 S CB 0.608 63.770 63.200 -0.064 0.000 0.876 324 S HN 0.457 nan 8.310 nan 0.000 0.540 325 I N 1.107 121.562 120.570 -0.191 0.000 2.179 325 I HA -0.183 3.987 4.170 -0.000 0.000 0.242 325 I C 2.916 178.951 176.117 -0.137 0.000 1.088 325 I CA 1.736 62.925 61.300 -0.185 0.000 1.357 325 I CB -0.445 37.403 38.000 -0.253 0.000 1.051 325 I HN 0.820 nan 8.210 nan 0.000 0.409 326 R N 1.870 122.296 120.500 -0.123 0.000 2.170 326 R HA -0.209 4.131 4.340 -0.000 0.000 0.242 326 R C 2.158 178.388 176.300 -0.117 0.000 1.145 326 R CA 1.595 57.611 56.100 -0.140 0.000 0.984 326 R CB -0.280 29.956 30.300 -0.106 0.000 0.869 326 R HN 0.352 nan 8.270 nan 0.000 0.455 327 A N 1.447 124.212 122.820 -0.091 0.000 1.930 327 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 327 A C 2.104 179.644 177.584 -0.074 0.000 1.175 327 A CA 1.233 53.226 52.037 -0.073 0.000 0.627 327 A CB -0.371 18.595 19.000 -0.057 0.000 0.815 327 A HN 0.420 nan 8.150 nan 0.000 0.443 328 R N -0.400 120.052 120.500 -0.080 0.000 2.152 328 R HA -0.008 4.332 4.340 -0.000 0.000 0.232 328 R C 1.456 177.712 176.300 -0.074 0.000 1.117 328 R CA 1.315 57.372 56.100 -0.072 0.000 0.981 328 R CB -0.368 29.889 30.300 -0.073 0.000 0.870 328 R HN 0.556 nan 8.270 nan 0.000 0.451 329 L N -0.086 121.080 121.223 -0.096 0.000 2.556 329 L HA 0.179 4.519 4.340 -0.000 0.000 0.226 329 L C 1.051 177.864 176.870 -0.096 0.000 1.089 329 L CA -0.139 54.640 54.840 -0.101 0.000 0.864 329 L CB -0.187 41.787 42.059 -0.141 0.000 1.067 329 L HN -0.017 nan 8.230 nan 0.000 0.477 330 K N 1.579 121.921 120.400 -0.097 0.000 2.344 330 K HA 0.099 4.419 4.320 -0.000 0.000 0.260 330 K C 0.669 177.231 176.600 -0.063 0.000 0.988 330 K CA 0.306 56.540 56.287 -0.088 0.000 0.909 330 K CB 0.457 32.907 32.500 -0.083 0.000 0.968 330 K HN 0.112 nan 8.250 nan 0.000 0.505 331 G N 3.446 112.210 108.800 -0.061 0.000 2.280 331 G HA2 -0.184 3.775 3.960 -0.000 0.000 0.273 331 G HA3 -0.184 3.775 3.960 -0.000 0.000 0.273 331 G C -0.484 174.403 174.900 -0.021 0.000 0.778 331 G CA 0.788 45.865 45.100 -0.039 0.000 1.067 331 G HN 0.816 nan 8.290 nan 0.000 0.325 332 K N 2.222 122.619 120.400 -0.005 0.000 7.559 332 K HA -0.232 4.088 4.320 -0.000 0.000 0.589 332 K C 0.697 177.292 176.600 -0.009 0.000 2.590 332 K CA 0.814 57.102 56.287 0.002 0.000 2.018 332 K CB 0.008 32.514 32.500 0.011 0.000 2.068 332 K HN 0.792 nan 8.250 nan 0.000 0.260 333 E N -2.003 118.194 120.200 -0.006 0.000 3.286 333 E HA -0.203 4.147 4.350 -0.000 0.000 0.292 333 E C -0.123 176.467 176.600 -0.017 0.000 0.928 333 E CA 1.674 58.068 56.400 -0.010 0.000 0.982 333 E CB -1.637 28.056 29.700 -0.010 0.000 1.500 333 E HN 0.744 nan 8.360 nan 0.000 0.441 334 G N -0.107 108.681 108.800 -0.020 0.000 2.719 334 G HA2 0.467 4.427 3.960 -0.000 0.000 0.284 334 G HA3 0.467 4.427 3.960 -0.000 0.000 0.284 334 G C 0.381 175.263 174.900 -0.031 0.000 1.488 334 G CA 0.160 45.242 45.100 -0.030 0.000 1.139 334 G HN 0.019 nan 8.290 nan 0.000 0.552 335 R N 1.263 121.745 120.500 -0.030 0.000 3.649 335 R HA -0.347 3.993 4.340 -0.000 0.000 0.501 335 R C 2.232 178.519 176.300 -0.022 0.000 0.270 335 R CA 2.283 58.366 56.100 -0.029 0.000 1.034 335 R CB -1.353 28.923 30.300 -0.040 0.000 0.713 335 R HN 0.505 nan 8.270 nan 0.000 0.438 336 I N 0.396 120.950 120.570 -0.028 0.000 2.110 336 I HA -0.355 3.814 4.170 -0.000 0.000 0.226 336 I C 2.417 178.532 176.117 -0.004 0.000 1.001 336 I CA 2.146 63.436 61.300 -0.017 0.000 1.309 336 I CB -1.160 36.825 38.000 -0.025 0.000 1.022 336 I HN 0.451 nan 8.210 nan 0.000 0.384 337 R N 0.296 120.797 120.500 0.001 0.000 2.193 337 R HA -0.115 4.225 4.340 -0.000 0.000 0.229 337 R C 2.113 178.417 176.300 0.008 0.000 1.110 337 R CA 1.341 57.449 56.100 0.014 0.000 0.988 337 R CB -0.371 29.945 30.300 0.027 0.000 0.871 337 R HN 0.617 nan 8.270 nan 0.000 0.458 338 G N -0.578 108.221 108.800 -0.002 0.000 2.510 338 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.212 338 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.212 338 G C 1.178 176.076 174.900 -0.004 0.000 1.151 338 G CA -0.026 45.073 45.100 -0.003 0.000 0.817 338 G HN 0.247 nan 8.290 nan 0.000 0.534 339 N N -0.296 118.399 118.700 -0.008 0.000 2.463 339 N HA 0.191 4.931 4.740 -0.000 0.000 0.183 339 N C 2.010 177.515 175.510 -0.007 0.000 1.064 339 N CA 0.078 53.123 53.050 -0.008 0.000 0.879 339 N CB 0.575 39.055 38.487 -0.011 0.000 1.148 339 N HN 0.208 nan 8.380 nan 0.000 0.451 340 L N 0.362 121.581 121.223 -0.006 0.000 2.221 340 L HA 0.190 4.530 4.340 -0.000 0.000 0.202 340 L C 2.056 178.922 176.870 -0.006 0.000 1.074 340 L CA 0.498 55.335 54.840 -0.006 0.000 0.795 340 L CB -0.090 41.967 42.059 -0.003 0.000 0.960 340 L HN 0.015 nan 8.230 nan 0.000 0.458 341 M N -0.453 119.146 119.600 -0.002 0.000 2.419 341 M HA 0.148 4.628 4.480 -0.000 0.000 0.264 341 M C 0.784 177.079 176.300 -0.008 0.000 1.082 341 M CA 0.505 55.803 55.300 -0.002 0.000 1.119 341 M CB -0.482 32.123 32.600 0.008 0.000 1.398 341 M HN 0.187 nan 8.290 nan 0.000 0.453 342 G N 0.608 109.405 108.800 -0.006 0.000 2.760 342 G HA2 0.534 4.494 3.960 -0.000 0.000 0.296 342 G HA3 0.534 4.494 3.960 -0.000 0.000 0.296 342 G C -1.105 173.791 174.900 -0.006 0.000 1.427 342 G CA -0.658 44.437 45.100 -0.009 0.000 1.109 342 G HN 0.101 nan 8.290 nan 0.000 0.553 343 K N 0.724 121.118 120.400 -0.010 0.000 2.346 343 K HA 0.636 4.956 4.320 -0.000 0.000 0.238 343 K C 0.072 176.675 176.600 0.006 0.000 1.039 343 K CA -1.007 55.278 56.287 -0.003 0.000 0.861 343 K CB 2.279 34.776 32.500 -0.005 0.000 1.278 343 K HN 0.400 nan 8.250 nan 0.000 0.460 344 R N 0.466 120.974 120.500 0.014 0.000 2.543 344 R HA 0.545 4.884 4.340 -0.000 0.000 0.268 344 R C -0.449 175.871 176.300 0.034 0.000 1.067 344 R CA -0.807 55.310 56.100 0.029 0.000 1.142 344 R CB 1.246 31.561 30.300 0.026 0.000 1.110 344 R HN 0.470 nan 8.270 nan 0.000 0.549 345 V N -1.670 118.278 119.914 0.058 0.000 3.178 345 V HA 0.383 4.502 4.120 -0.000 0.000 0.302 345 V C -1.405 174.758 176.094 0.115 0.000 1.262 345 V CA -1.139 61.206 62.300 0.075 0.000 1.030 345 V CB 2.495 34.346 31.823 0.046 0.000 1.074 345 V HN 0.597 nan 8.190 nan 0.000 0.438 346 D N 1.670 122.168 120.400 0.164 0.000 2.387 346 D HA 0.586 5.226 4.640 -0.000 0.000 0.251 346 D C -0.142 176.358 176.300 0.335 0.000 1.141 346 D CA 0.378 54.460 54.000 0.137 0.000 0.987 346 D CB 0.462 41.325 40.800 0.104 0.000 1.116 346 D HN 0.842 nan 8.370 nan 0.000 0.491 347 F N -0.863 119.149 119.950 0.104 0.000 2.975 347 F HA -0.230 4.297 4.527 -0.000 0.000 0.319 347 F C 0.159 176.065 175.800 0.176 0.000 0.976 347 F CA 0.072 58.149 58.000 0.128 0.000 1.072 347 F CB -2.168 36.905 39.000 0.122 0.000 1.165 347 F HN 0.169 nan 8.300 nan 0.000 0.758 348 S N -1.029 114.809 115.700 0.230 0.000 2.627 348 S HA 1.026 5.496 4.470 -0.000 0.000 0.283 348 S C -0.389 174.294 174.600 0.138 0.000 1.127 348 S CA -0.419 57.918 58.200 0.228 0.000 0.863 348 S CB 2.777 66.152 63.200 0.291 0.000 1.121 348 S HN 1.391 nan 8.310 nan 0.000 0.479 349 A N 0.697 123.588 122.820 0.118 0.000 2.612 349 A HA 0.911 5.231 4.320 -0.000 0.000 0.293 349 A C -1.022 176.708 177.584 0.243 0.000 1.075 349 A CA -0.878 51.269 52.037 0.183 0.000 0.680 349 A CB 1.703 20.865 19.000 0.270 0.000 1.279 349 A HN 1.039 nan 8.150 nan 0.000 0.411 350 R N -0.051 120.604 120.500 0.260 0.000 2.594 350 R HA 0.705 5.045 4.340 -0.000 0.000 0.265 350 R C -0.817 175.578 176.300 0.159 0.000 1.070 350 R CA 0.479 56.755 56.100 0.294 0.000 0.909 350 R CB 1.993 32.368 30.300 0.126 0.000 1.243 350 R HN 1.636 nan 8.270 nan 0.000 0.455 351 T N -1.336 113.321 114.554 0.171 0.000 2.661 351 T HA 0.336 4.686 4.350 -0.000 0.000 0.305 351 T C -1.152 173.594 174.700 0.078 0.000 1.535 351 T CA -0.594 61.484 62.100 -0.035 0.000 1.000 351 T CB 0.719 69.383 68.868 -0.339 0.000 1.811 351 T HN 0.204 nan 8.240 nan 0.000 0.471 352 V N 2.156 122.081 119.914 0.018 0.000 2.644 352 V HA 0.599 4.719 4.120 -0.000 0.000 0.295 352 V C 0.640 176.822 176.094 0.148 0.000 1.053 352 V CA -0.867 61.488 62.300 0.091 0.000 0.987 352 V CB 0.900 32.755 31.823 0.053 0.000 1.006 352 V HN 0.894 nan 8.190 nan 0.000 0.472 353 I N 1.245 121.953 120.570 0.229 0.000 2.664 353 I HA 0.915 5.085 4.170 -0.000 0.000 0.308 353 I C -0.064 176.146 176.117 0.155 0.000 0.984 353 I CA -0.199 61.269 61.300 0.280 0.000 1.213 353 I CB 1.959 40.217 38.000 0.428 0.000 1.379 353 I HN 0.674 nan 8.210 nan 0.000 0.501 354 S N 1.483 117.072 115.700 -0.185 0.000 2.565 354 S HA 0.676 5.146 4.470 -0.000 0.000 0.269 354 S C -0.246 173.627 174.600 -1.212 0.000 1.153 354 S CA -0.741 56.928 58.200 -0.884 0.000 0.835 354 S CB 0.976 63.926 63.200 -0.416 0.000 1.122 354 S HN 1.122 nan 8.310 nan 0.000 0.462 355 G N -0.198 107.560 108.800 -1.737 0.000 2.599 355 G HA2 0.532 4.491 3.960 -0.000 0.000 0.264 355 G HA3 0.532 4.491 3.960 -0.000 0.000 0.264 355 G C -1.036 173.683 174.900 -0.300 0.000 1.200 355 G CA -0.060 44.612 45.100 -0.713 0.000 0.896 355 G HN 0.748 nan 8.290 nan 0.000 0.536 356 D N -0.068 120.266 120.400 -0.111 0.000 2.296 356 D HA 0.113 4.753 4.640 -0.000 0.000 0.224 356 D C -2.362 173.939 176.300 0.000 0.000 1.324 356 D CA -0.875 53.085 54.000 -0.066 0.000 0.940 356 D CB 1.824 42.577 40.800 -0.078 0.000 1.492 356 D HN 0.148 nan 8.370 nan 0.000 0.531 357 P HA 0.142 nan 4.420 nan 0.000 0.271 357 P C 0.063 177.410 177.300 0.079 0.000 1.535 357 P CA 0.070 63.203 63.100 0.054 0.000 0.820 357 P CB 0.101 31.827 31.700 0.045 0.000 1.606 358 N N -0.644 118.097 118.700 0.068 0.000 2.118 358 N HA 0.181 4.921 4.740 -0.000 0.000 0.226 358 N C 0.212 175.762 175.510 0.066 0.000 1.305 358 N CA -0.035 53.073 53.050 0.097 0.000 0.890 358 N CB 1.001 39.551 38.487 0.104 0.000 1.118 358 N HN 0.225 nan 8.380 nan 0.000 0.511 359 L N 1.053 122.301 121.223 0.041 0.000 2.344 359 L HA 0.401 4.740 4.340 -0.000 0.000 0.272 359 L C 0.980 177.874 176.870 0.040 0.000 1.035 359 L CA -0.823 54.030 54.840 0.022 0.000 0.807 359 L CB 1.081 43.132 42.059 -0.014 0.000 1.237 359 L HN -0.152 nan 8.230 nan 0.000 0.442 360 E N 0.577 120.800 120.200 0.037 0.000 3.368 360 E HA -0.032 4.318 4.350 -0.000 0.000 0.320 360 E C 0.729 177.356 176.600 0.045 0.000 1.507 360 E CA -0.128 56.304 56.400 0.054 0.000 1.600 360 E CB 0.413 30.143 29.700 0.049 0.000 1.117 360 E HN 0.397 nan 8.360 nan 0.000 0.726 361 L N 1.254 122.502 121.223 0.043 0.000 2.084 361 L HA -0.083 4.257 4.340 -0.000 0.000 0.202 361 L C 1.370 178.282 176.870 0.070 0.000 1.074 361 L CA 1.830 56.672 54.840 0.003 0.000 0.757 361 L CB -0.857 41.151 42.059 -0.085 0.000 0.918 361 L HN 0.434 nan 8.230 nan 0.000 0.444 362 D N -0.974 119.474 120.400 0.081 0.000 2.390 362 D HA -0.113 4.527 4.640 -0.000 0.000 0.235 362 D C 0.629 177.046 176.300 0.196 0.000 1.040 362 D CA 0.292 54.380 54.000 0.146 0.000 0.923 362 D CB -0.339 40.495 40.800 0.057 0.000 0.886 362 D HN 0.483 nan 8.370 nan 0.000 0.532 363 Q N -0.579 119.277 119.800 0.093 0.000 2.171 363 Q HA 0.587 4.927 4.340 -0.000 0.000 0.217 363 Q C -0.929 174.959 176.000 -0.186 0.000 0.995 363 Q CA -1.018 54.785 55.803 0.000 0.000 0.979 363 Q CB 2.570 31.294 28.738 -0.024 0.000 1.152 363 Q HN 0.035 nan 8.270 nan 0.000 0.525 364 V N -0.338 119.435 119.914 -0.235 0.000 2.809 364 V HA 0.415 4.535 4.120 -0.000 0.000 0.290 364 V C -1.137 174.800 176.094 -0.261 0.000 1.305 364 V CA -0.429 61.607 62.300 -0.440 0.000 0.939 364 V CB 1.705 33.037 31.823 -0.818 0.000 1.081 364 V HN 0.817 nan 8.190 nan 0.000 0.439 365 G N 5.650 114.334 108.800 -0.193 0.000 2.372 365 G HA2 0.511 4.471 3.960 -0.000 0.000 0.286 365 G HA3 0.511 4.471 3.960 -0.000 0.000 0.286 365 G C -0.516 174.400 174.900 0.027 0.000 1.153 365 G CA -0.127 44.928 45.100 -0.075 0.000 0.985 365 G HN 0.962 nan 8.290 nan 0.000 0.429 366 V N 5.998 125.928 119.914 0.026 0.000 2.427 366 V HA 0.379 4.499 4.120 -0.000 0.000 0.286 366 V C -1.787 174.294 176.094 -0.021 0.000 1.034 366 V CA -1.813 60.546 62.300 0.099 0.000 0.893 366 V CB 2.052 33.937 31.823 0.103 0.000 0.982 366 V HN 0.643 nan 8.190 nan 0.000 0.452 367 P HA 0.170 nan 4.420 nan 0.000 0.280 367 P C 0.493 177.713 177.300 -0.134 0.000 1.244 367 P CA -0.398 62.631 63.100 -0.118 0.000 0.784 367 P CB 1.367 32.972 31.700 -0.159 0.000 0.913 368 K N 2.903 123.197 120.400 -0.177 0.000 2.071 368 K HA -0.296 4.024 4.320 -0.000 0.000 0.217 368 K C 2.040 178.549 176.600 -0.152 0.000 1.054 368 K CA 2.696 58.840 56.287 -0.239 0.000 0.937 368 K CB -0.709 31.653 32.500 -0.230 0.000 0.719 368 K HN 0.424 nan 8.250 nan 0.000 0.454 369 S N 0.303 115.930 115.700 -0.120 0.000 2.378 369 S HA -0.228 4.242 4.470 -0.000 0.000 0.229 369 S C 1.948 176.520 174.600 -0.047 0.000 1.052 369 S CA 2.027 60.177 58.200 -0.084 0.000 1.084 369 S CB -0.405 62.739 63.200 -0.093 0.000 0.950 369 S HN 0.430 nan 8.310 nan 0.000 0.440 370 I N 1.445 121.985 120.570 -0.051 0.000 2.233 370 I HA -0.058 4.112 4.170 -0.000 0.000 0.243 370 I C 2.940 179.094 176.117 0.061 0.000 1.093 370 I CA 0.951 62.256 61.300 0.007 0.000 1.380 370 I CB -0.690 37.315 38.000 0.007 0.000 1.067 370 I HN 0.458 nan 8.210 nan 0.000 0.413 371 A N 0.612 123.449 122.820 0.028 0.000 2.024 371 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 371 A C 2.243 179.939 177.584 0.186 0.000 1.164 371 A CA 1.590 53.676 52.037 0.081 0.000 0.643 371 A CB -0.434 18.530 19.000 -0.060 0.000 0.806 371 A HN 0.332 nan 8.150 nan 0.000 0.451 372 K N -1.354 119.106 120.400 0.101 0.000 2.418 372 K HA 0.005 4.325 4.320 -0.000 0.000 0.195 372 K C 1.509 178.308 176.600 0.332 0.000 1.035 372 K CA 1.206 57.585 56.287 0.154 0.000 1.003 372 K CB 0.028 32.510 32.500 -0.030 0.000 0.793 372 K HN 0.482 nan 8.250 nan 0.000 0.494 373 T N 1.112 115.773 114.554 0.178 0.000 2.988 373 T HA 0.140 4.490 4.350 -0.000 0.000 0.240 373 T C 0.830 175.587 174.700 0.094 0.000 1.014 373 T CA 0.003 62.161 62.100 0.097 0.000 1.155 373 T CB 0.147 69.037 68.868 0.038 0.000 0.872 373 T HN -0.011 nan 8.240 nan 0.000 0.440 374 L N 1.603 122.908 121.223 0.137 0.000 2.499 374 L HA 0.292 4.632 4.340 -0.000 0.000 0.281 374 L C 0.464 177.473 176.870 0.232 0.000 1.234 374 L CA 0.279 55.227 54.840 0.180 0.000 0.839 374 L CB 0.276 42.465 42.059 0.218 0.000 1.104 374 L HN 0.183 nan 8.230 nan 0.000 0.500 375 T N 0.367 115.131 114.554 0.350 0.000 2.889 375 T HA 0.457 4.807 4.350 -0.000 0.000 0.315 375 T C -1.801 173.138 174.700 0.398 0.000 1.291 375 T CA -0.428 61.866 62.100 0.323 0.000 1.028 375 T CB 1.184 70.190 68.868 0.229 0.000 1.235 375 T HN 0.372 nan 8.240 nan 0.000 0.491 376 Y N 4.382 124.761 120.300 0.131 0.000 2.462 376 Y HA 0.671 5.221 4.550 -0.000 0.000 0.346 376 Y C -2.606 173.322 175.900 0.047 0.000 0.976 376 Y CA -2.317 55.820 58.100 0.062 0.000 1.044 376 Y CB 2.487 40.975 38.460 0.048 0.000 1.230 376 Y HN 0.296 nan 8.280 nan 0.000 0.455 377 P HA 0.204 nan 4.420 nan 0.000 0.294 377 P C -1.278 175.724 177.300 -0.496 0.000 1.389 377 P CA -0.215 62.653 63.100 -0.387 0.000 0.875 377 P CB 1.272 32.771 31.700 -0.334 0.000 1.018 378 E N 2.765 122.884 120.200 -0.135 0.000 2.204 378 E HA 0.358 4.708 4.350 -0.000 0.000 0.276 378 E C -0.645 175.963 176.600 0.013 0.000 0.974 378 E CA -0.972 55.438 56.400 0.017 0.000 0.815 378 E CB 1.307 31.111 29.700 0.173 0.000 1.119 378 E HN 0.152 nan 8.360 nan 0.000 0.393 379 V N 3.765 123.698 119.914 0.032 0.000 2.432 379 V HA 0.180 4.300 4.120 -0.000 0.000 0.275 379 V C 0.158 176.279 176.094 0.046 0.000 1.043 379 V CA -1.035 61.291 62.300 0.043 0.000 0.925 379 V CB 1.129 32.979 31.823 0.045 0.000 0.985 379 V HN 0.495 nan 8.190 nan 0.000 0.466 380 V N 4.526 124.460 119.914 0.033 0.000 2.509 380 V HA 0.176 4.296 4.120 -0.000 0.000 0.297 380 V C 0.683 176.719 176.094 -0.096 0.000 1.014 380 V CA 1.093 63.362 62.300 -0.051 0.000 1.127 380 V CB 0.518 32.287 31.823 -0.089 0.000 0.925 380 V HN 1.084 nan 8.190 nan 0.000 0.480 381 T N 6.520 120.991 114.554 -0.139 0.000 2.883 381 T HA 0.476 4.826 4.350 -0.000 0.000 0.301 381 T C -1.885 172.655 174.700 -0.266 0.000 1.158 381 T CA -1.461 60.557 62.100 -0.136 0.000 1.007 381 T CB 2.234 71.075 68.868 -0.044 0.000 1.186 381 T HN 0.440 nan 8.240 nan 0.000 0.499 382 P HA -0.108 nan 4.420 nan 0.000 0.219 382 P C 0.923 178.147 177.300 -0.126 0.000 1.146 382 P CA 1.342 64.388 63.100 -0.089 0.000 0.808 382 P CB -0.116 31.636 31.700 0.086 0.000 0.779 383 Y N 1.224 121.556 120.300 0.053 0.000 2.483 383 Y HA -0.150 4.400 4.550 -0.000 0.000 0.291 383 Y C 1.742 177.646 175.900 0.007 0.000 1.143 383 Y CA 0.952 59.071 58.100 0.031 0.000 1.289 383 Y CB -0.703 37.778 38.460 0.035 0.000 0.983 383 Y HN 0.253 nan 8.280 nan 0.000 0.556 384 N N -2.409 116.335 118.700 0.072 0.000 2.036 384 N HA 0.019 4.759 4.740 -0.000 0.000 0.228 384 N C 0.774 176.260 175.510 -0.039 0.000 1.368 384 N CA -0.132 52.938 53.050 0.033 0.000 0.846 384 N CB -1.029 37.495 38.487 0.063 0.000 1.145 384 N HN 0.191 nan 8.380 nan 0.000 0.502 385 I N 1.367 121.858 120.570 -0.132 0.000 2.141 385 I HA -0.445 3.725 4.170 -0.000 0.000 0.243 385 I C 1.267 177.329 176.117 -0.092 0.000 1.035 385 I CA 2.094 63.283 61.300 -0.185 0.000 1.302 385 I CB -0.205 37.607 38.000 -0.314 0.000 1.006 385 I HN 0.236 nan 8.210 nan 0.000 0.413 386 D N 0.010 120.375 120.400 -0.059 0.000 2.137 386 D HA -0.264 4.375 4.640 -0.000 0.000 0.193 386 D C 2.058 178.350 176.300 -0.014 0.000 0.993 386 D CA 1.619 55.603 54.000 -0.028 0.000 0.846 386 D CB -0.611 40.183 40.800 -0.010 0.000 0.990 386 D HN 0.308 nan 8.370 nan 0.000 0.448 387 R N 0.492 120.992 120.500 -0.001 0.000 2.136 387 R HA -0.204 4.136 4.340 -0.000 0.000 0.242 387 R C 2.714 179.018 176.300 0.007 0.000 1.131 387 R CA 1.462 57.567 56.100 0.008 0.000 0.937 387 R CB -0.717 29.595 30.300 0.020 0.000 0.863 387 R HN 0.139 nan 8.270 nan 0.000 0.435 388 L N -0.109 121.117 121.223 0.006 0.000 2.081 388 L HA -0.217 4.123 4.340 -0.000 0.000 0.212 388 L C 2.433 179.309 176.870 0.010 0.000 1.080 388 L CA 1.965 56.813 54.840 0.012 0.000 0.754 388 L CB -0.351 41.714 42.059 0.009 0.000 0.893 388 L HN 0.390 nan 8.230 nan 0.000 0.433 389 T N -1.959 112.593 114.554 -0.003 0.000 2.821 389 T HA -0.244 4.106 4.350 -0.000 0.000 0.267 389 T C 1.772 176.477 174.700 0.008 0.000 1.046 389 T CA 1.138 63.240 62.100 0.004 0.000 1.139 389 T CB -0.144 68.719 68.868 -0.008 0.000 0.871 389 T HN 0.197 nan 8.240 nan 0.000 0.454 390 Q N 0.981 120.784 119.800 0.004 0.000 2.135 390 Q HA -0.017 4.323 4.340 -0.000 0.000 0.204 390 Q C 2.018 178.022 176.000 0.006 0.000 0.981 390 Q CA 1.427 57.232 55.803 0.004 0.000 0.856 390 Q CB -0.713 28.026 28.738 0.001 0.000 0.902 390 Q HN 0.533 nan 8.270 nan 0.000 0.425 391 L N -1.128 120.101 121.223 0.009 0.000 1.994 391 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 391 L C 2.266 179.145 176.870 0.015 0.000 1.071 391 L CA 1.125 55.973 54.840 0.013 0.000 0.745 391 L CB -0.693 41.377 42.059 0.019 0.000 0.892 391 L HN 0.074 nan 8.230 nan 0.000 0.431 392 V N -0.339 119.585 119.914 0.017 0.000 2.469 392 V HA -0.298 3.822 4.120 -0.000 0.000 0.251 392 V C 2.574 178.676 176.094 0.015 0.000 1.064 392 V CA 1.751 64.061 62.300 0.017 0.000 1.066 392 V CB -0.862 30.981 31.823 0.033 0.000 0.667 392 V HN 0.402 nan 8.190 nan 0.000 0.461 393 R N 0.071 120.580 120.500 0.015 0.000 2.055 393 R HA -0.056 4.284 4.340 -0.000 0.000 0.228 393 R C 2.355 178.661 176.300 0.010 0.000 1.143 393 R CA 1.252 57.360 56.100 0.013 0.000 0.945 393 R CB -0.550 29.757 30.300 0.012 0.000 0.841 393 R HN 0.490 nan 8.270 nan 0.000 0.429 394 N N 0.397 119.103 118.700 0.009 0.000 2.187 394 N HA -0.174 4.566 4.740 -0.000 0.000 0.194 394 N C 1.018 176.536 175.510 0.014 0.000 1.002 394 N CA 1.638 54.694 53.050 0.009 0.000 0.882 394 N CB -0.231 38.260 38.487 0.006 0.000 1.003 394 N HN 0.416 nan 8.380 nan 0.000 0.443 395 G N -0.088 108.721 108.800 0.014 0.000 2.760 395 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.246 395 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.246 395 G C -2.512 172.412 174.900 0.041 0.000 1.359 395 G CA -0.114 44.990 45.100 0.007 0.000 0.861 395 G HN 0.165 nan 8.290 nan 0.000 0.541 396 P HA 0.281 nan 4.420 nan 0.000 0.241 396 P C 0.142 177.503 177.300 0.102 0.000 1.783 396 P CA -0.125 63.043 63.100 0.113 0.000 1.052 396 P CB 0.120 31.785 31.700 -0.059 0.000 1.594 397 N N -0.694 118.037 118.700 0.052 0.000 2.380 397 N HA 0.065 4.805 4.740 -0.000 0.000 0.227 397 N C 0.412 175.909 175.510 -0.021 0.000 1.139 397 N CA 0.147 53.201 53.050 0.006 0.000 0.843 397 N CB 0.356 38.842 38.487 -0.002 0.000 1.327 397 N HN 0.178 nan 8.380 nan 0.000 0.470 398 E N 0.307 120.496 120.200 -0.017 0.000 2.331 398 E HA 0.009 4.359 4.350 -0.000 0.000 0.272 398 E C 0.398 176.951 176.600 -0.078 0.000 1.036 398 E CA -0.123 56.259 56.400 -0.029 0.000 0.864 398 E CB 1.180 30.869 29.700 -0.019 0.000 1.035 398 E HN 0.254 nan 8.360 nan 0.000 0.408 399 H N 4.474 123.450 119.070 -0.156 0.000 2.325 399 H HA -0.044 4.512 4.556 -0.000 0.000 0.296 399 H C -1.610 173.586 175.328 -0.221 0.000 1.053 399 H CA 1.165 57.059 56.048 -0.256 0.000 1.204 399 H CB -1.147 28.513 29.762 -0.170 0.000 1.383 399 H HN 0.335 nan 8.280 nan 0.000 0.532 400 P HA 0.184 nan 4.420 nan 0.000 0.257 400 P C -0.485 176.695 177.300 -0.199 0.000 1.227 400 P CA 1.190 63.947 63.100 -0.571 0.000 0.981 400 P CB 0.332 31.875 31.700 -0.261 0.000 1.044 401 G N 1.508 110.309 108.800 0.002 0.000 2.634 401 G HA2 0.735 4.695 3.960 -0.000 0.000 0.309 401 G HA3 0.735 4.695 3.960 -0.000 0.000 0.309 401 G C -1.914 173.142 174.900 0.260 0.000 1.299 401 G CA -0.170 45.038 45.100 0.179 0.000 0.798 401 G HN 0.470 nan 8.290 nan 0.000 0.490 402 A N -1.023 121.810 122.820 0.021 0.000 2.524 402 A HA 0.893 5.212 4.320 -0.000 0.000 0.286 402 A C -0.228 177.193 177.584 -0.272 0.000 1.203 402 A CA 0.022 51.938 52.037 -0.201 0.000 0.736 402 A CB 1.613 20.572 19.000 -0.067 0.000 1.322 402 A HN 1.385 nan 8.150 nan 0.000 0.424 403 K N -1.023 119.202 120.400 -0.291 0.000 2.684 403 K HA 0.492 4.812 4.320 -0.000 0.000 0.189 403 K C -1.316 175.049 176.600 -0.391 0.000 1.154 403 K CA -0.072 56.001 56.287 -0.358 0.000 1.109 403 K CB 0.317 32.527 32.500 -0.484 0.000 0.826 403 K HN 0.542 nan 8.250 nan 0.000 0.501 404 Y N 0.109 120.346 120.300 -0.106 0.000 2.273 404 Y HA 0.195 4.745 4.550 -0.000 0.000 0.316 404 Y C -1.449 174.402 175.900 -0.081 0.000 1.294 404 Y CA -1.314 56.731 58.100 -0.092 0.000 1.198 404 Y CB 2.015 40.428 38.460 -0.078 0.000 1.299 404 Y HN -0.191 nan 8.280 nan 0.000 0.413 405 V N 5.967 125.930 119.914 0.082 0.000 2.513 405 V HA 0.578 4.698 4.120 -0.000 0.000 0.299 405 V C -0.346 175.657 176.094 -0.152 0.000 1.035 405 V CA -0.636 61.648 62.300 -0.026 0.000 0.889 405 V CB 1.884 33.687 31.823 -0.035 0.000 0.988 405 V HN 0.509 nan 8.190 nan 0.000 0.440 406 I N 2.560 123.005 120.570 -0.208 0.000 2.478 406 I HA 0.699 4.869 4.170 -0.000 0.000 0.287 406 I C -0.328 175.474 176.117 -0.525 0.000 1.042 406 I CA -0.962 60.147 61.300 -0.319 0.000 1.067 406 I CB 1.794 39.667 38.000 -0.212 0.000 1.233 406 I HN 0.429 nan 8.210 nan 0.000 0.431 407 R N 2.804 122.809 120.500 -0.826 0.000 2.560 407 R HA 0.248 4.588 4.340 -0.000 0.000 0.270 407 R C 0.692 176.773 176.300 -0.365 0.000 1.074 407 R CA -0.394 54.964 56.100 -1.236 0.000 1.140 407 R CB 0.404 30.013 30.300 -1.151 0.000 1.073 407 R HN 0.741 nan 8.270 nan 0.000 0.527 408 D N 0.330 120.738 120.400 0.014 0.000 2.172 408 D HA -0.289 4.351 4.640 -0.000 0.000 0.196 408 D C 1.295 177.602 176.300 0.012 0.000 0.999 408 D CA 1.856 55.918 54.000 0.103 0.000 0.856 408 D CB -0.539 40.390 40.800 0.216 0.000 0.934 408 D HN 0.511 nan 8.370 nan 0.000 0.453 409 S N -0.232 115.467 115.700 -0.002 0.000 2.520 409 S HA -0.012 4.458 4.470 -0.000 0.000 0.249 409 S C 1.731 176.300 174.600 -0.051 0.000 0.983 409 S CA 0.681 58.868 58.200 -0.021 0.000 0.958 409 S CB -1.300 61.884 63.200 -0.026 0.000 0.750 409 S HN 0.864 nan 8.310 nan 0.000 0.527 410 G N 0.365 109.119 108.800 -0.078 0.000 2.353 410 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.294 410 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.294 410 G C -0.548 174.294 174.900 -0.096 0.000 1.077 410 G CA 0.151 45.204 45.100 -0.079 0.000 1.098 410 G HN 0.788 nan 8.290 nan 0.000 0.511 411 D N -0.934 119.382 120.400 -0.140 0.000 2.947 411 D HA 0.513 5.153 4.640 -0.000 0.000 0.224 411 D C 0.341 176.529 176.300 -0.187 0.000 1.230 411 D CA -0.777 53.139 54.000 -0.140 0.000 0.871 411 D CB 1.022 41.751 40.800 -0.117 0.000 1.671 411 D HN 0.426 nan 8.370 nan 0.000 0.507 412 R N 3.018 123.411 120.500 -0.179 0.000 2.297 412 R HA 0.521 4.861 4.340 -0.000 0.000 0.308 412 R C -0.164 176.050 176.300 -0.144 0.000 1.029 412 R CA -0.826 55.142 56.100 -0.220 0.000 0.929 412 R CB 1.210 31.313 30.300 -0.329 0.000 1.046 412 R HN 0.380 nan 8.270 nan 0.000 0.461 413 I N 2.551 123.052 120.570 -0.114 0.000 2.312 413 I HA 0.067 4.237 4.170 -0.000 0.000 0.290 413 I C 0.029 176.214 176.117 0.112 0.000 1.008 413 I CA -0.499 60.784 61.300 -0.029 0.000 1.226 413 I CB 1.095 39.057 38.000 -0.062 0.000 1.371 413 I HN 0.571 nan 8.210 nan 0.000 0.468 414 D N 7.335 127.818 120.400 0.138 0.000 2.483 414 D HA 0.155 4.795 4.640 -0.000 0.000 0.220 414 D C 1.410 177.696 176.300 -0.023 0.000 1.173 414 D CA -0.224 53.891 54.000 0.192 0.000 0.964 414 D CB 0.641 41.534 40.800 0.155 0.000 1.046 414 D HN 0.441 nan 8.370 nan 0.000 0.517 415 L N 2.870 124.066 121.223 -0.044 0.000 2.230 415 L HA -0.264 4.076 4.340 -0.000 0.000 0.217 415 L C 2.325 179.108 176.870 -0.145 0.000 1.090 415 L CA 1.344 56.129 54.840 -0.090 0.000 0.771 415 L CB -0.336 41.660 42.059 -0.106 0.000 0.892 415 L HN 0.413 nan 8.230 nan 0.000 0.438 416 R N -1.929 118.384 120.500 -0.312 0.000 2.297 416 R HA -0.017 4.323 4.340 -0.000 0.000 0.197 416 R C 1.035 177.214 176.300 -0.201 0.000 0.943 416 R CA 0.572 56.463 56.100 -0.349 0.000 1.038 416 R CB -0.073 29.894 30.300 -0.555 0.000 0.957 416 R HN 0.384 nan 8.270 nan 0.000 0.484 417 Y N 0.629 120.928 120.300 -0.002 0.000 3.059 417 Y HA 0.131 4.681 4.550 -0.000 0.000 0.212 417 Y C 0.849 176.753 175.900 0.007 0.000 0.947 417 Y CA -0.496 57.607 58.100 0.004 0.000 1.571 417 Y CB -0.161 38.306 38.460 0.011 0.000 1.432 417 Y HN 0.016 nan 8.280 nan 0.000 0.450 418 S N 3.046 118.861 115.700 0.192 0.000 4.263 418 S HA -0.228 4.242 4.470 -0.000 0.000 0.508 418 S C 0.920 175.565 174.600 0.075 0.000 1.062 418 S CA 0.668 58.929 58.200 0.102 0.000 0.854 418 S CB 0.075 63.312 63.200 0.063 0.000 0.878 418 S HN 0.563 nan 8.310 nan 0.000 0.448 419 K N 4.118 124.553 120.400 0.058 0.000 2.520 419 K HA -0.079 4.240 4.320 -0.000 0.000 0.197 419 K C 1.228 177.850 176.600 0.037 0.000 1.043 419 K CA 1.282 57.595 56.287 0.043 0.000 0.944 419 K CB -0.139 32.380 32.500 0.032 0.000 0.770 419 K HN 0.701 nan 8.250 nan 0.000 0.480 420 R N 0.040 120.563 120.500 0.038 0.000 2.546 420 R HA 0.264 4.604 4.340 -0.000 0.000 0.320 420 R C 1.578 177.899 176.300 0.035 0.000 1.021 420 R CA 0.292 56.414 56.100 0.036 0.000 1.088 420 R CB 0.533 30.855 30.300 0.037 0.000 1.278 420 R HN 0.207 nan 8.270 nan 0.000 0.557 421 A N 1.255 124.096 122.820 0.034 0.000 1.881 421 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 421 A C 2.233 179.832 177.584 0.026 0.000 1.215 421 A CA 2.239 54.292 52.037 0.027 0.000 0.648 421 A CB -1.165 17.851 19.000 0.026 0.000 0.832 421 A HN 0.455 nan 8.150 nan 0.000 0.455 422 G N -1.069 107.746 108.800 0.026 0.000 2.443 422 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.219 422 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.219 422 G C 1.098 176.014 174.900 0.027 0.000 1.131 422 G CA 1.122 46.236 45.100 0.023 0.000 0.775 422 G HN 0.554 nan 8.290 nan 0.000 0.547 423 D N 0.170 120.590 120.400 0.033 0.000 1.695 423 D HA 0.035 4.675 4.640 -0.000 0.000 0.313 423 D C 1.209 177.539 176.300 0.050 0.000 1.070 423 D CA 0.129 54.153 54.000 0.038 0.000 0.883 423 D CB 0.056 40.881 40.800 0.041 0.000 1.314 423 D HN 0.034 nan 8.370 nan 0.000 0.442 424 I N -0.387 120.225 120.570 0.069 0.000 9.040 424 I HA -0.269 3.901 4.170 -0.000 0.000 0.126 424 I C -0.880 175.296 176.117 0.100 0.000 1.858 424 I CA 0.521 61.886 61.300 0.107 0.000 2.052 424 I CB -1.282 36.782 38.000 0.106 0.000 3.929 424 I HN 0.483 nan 8.210 nan 0.000 0.174 425 Q N 5.808 125.688 119.800 0.134 0.000 2.295 425 Q HA 0.611 4.951 4.340 -0.000 0.000 0.259 425 Q C -0.662 175.365 176.000 0.046 0.000 0.966 425 Q CA -0.907 54.929 55.803 0.056 0.000 0.763 425 Q CB 2.210 30.956 28.738 0.014 0.000 1.283 425 Q HN 0.598 nan 8.270 nan 0.000 0.445 426 L N 1.698 122.929 121.223 0.013 0.000 2.483 426 L HA 0.081 4.421 4.340 -0.000 0.000 0.275 426 L C 0.536 177.155 176.870 -0.418 0.000 1.220 426 L CA 0.301 55.116 54.840 -0.041 0.000 0.833 426 L CB 0.232 42.281 42.059 -0.018 0.000 1.102 426 L HN 0.413 nan 8.230 nan 0.000 0.490 427 Q N 1.764 121.076 119.800 -0.814 0.000 2.325 427 Q HA 0.258 4.598 4.340 -0.000 0.000 0.270 427 Q C -1.221 174.440 176.000 -0.564 0.000 1.020 427 Q CA -0.804 54.396 55.803 -1.005 0.000 0.785 427 Q CB 1.667 29.123 28.738 -2.137 0.000 1.259 427 Q HN 0.311 nan 8.270 nan 0.000 0.452 428 Y N 1.082 121.164 120.300 -0.363 0.000 2.857 428 Y HA 0.044 4.594 4.550 -0.000 0.000 0.373 428 Y C 1.550 177.341 175.900 -0.182 0.000 1.346 428 Y CA 1.930 59.900 58.100 -0.217 0.000 1.736 428 Y CB -0.243 38.107 38.460 -0.184 0.000 1.236 428 Y HN 0.969 nan 8.280 nan 0.000 0.507 429 G N 0.751 109.566 108.800 0.026 0.000 2.551 429 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.186 429 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.186 429 G C -0.219 174.820 174.900 0.231 0.000 1.002 429 G CA -0.882 44.272 45.100 0.090 0.000 0.723 429 G HN 0.385 nan 8.290 nan 0.000 0.481 430 W N 1.515 122.809 121.300 -0.009 0.000 2.215 430 W HA 0.776 5.436 4.660 -0.000 0.000 0.342 430 W C 0.603 177.103 176.519 -0.032 0.000 1.237 430 W CA -0.771 56.560 57.345 -0.022 0.000 1.283 430 W CB 0.573 30.018 29.460 -0.024 0.000 1.131 430 W HN -0.032 nan 8.180 nan 0.000 0.606 431 K N 0.450 120.949 120.400 0.165 0.000 2.203 431 K HA 0.589 4.909 4.320 -0.000 0.000 0.251 431 K C -1.230 175.398 176.600 0.047 0.000 0.944 431 K CA -0.729 55.594 56.287 0.060 0.000 0.829 431 K CB 1.872 34.365 32.500 -0.012 0.000 1.125 431 K HN 0.094 nan 8.250 nan 0.000 0.430 432 V N 3.167 123.103 119.914 0.036 0.000 2.340 432 V HA 0.140 4.260 4.120 -0.000 0.000 0.277 432 V C -0.663 175.451 176.094 0.034 0.000 1.017 432 V CA -0.862 61.464 62.300 0.043 0.000 0.820 432 V CB 1.086 32.943 31.823 0.057 0.000 1.028 432 V HN 0.744 nan 8.190 nan 0.000 0.436 433 E N 5.135 125.363 120.200 0.046 0.000 2.292 433 E HA 0.198 4.548 4.350 -0.000 0.000 0.265 433 E C 0.174 176.788 176.600 0.024 0.000 1.093 433 E CA -0.059 56.379 56.400 0.063 0.000 0.922 433 E CB 0.721 30.511 29.700 0.150 0.000 1.001 433 E HN 0.720 nan 8.360 nan 0.000 0.444 434 R N 2.208 122.733 120.500 0.043 0.000 2.875 434 R HA 0.435 4.775 4.340 -0.000 0.000 0.251 434 R C 0.098 176.388 176.300 -0.015 0.000 1.123 434 R CA -0.892 55.199 56.100 -0.016 0.000 1.064 434 R CB 0.790 31.128 30.300 0.064 0.000 1.205 434 R HN 0.395 nan 8.270 nan 0.000 0.503 435 H N 0.257 119.367 119.070 0.066 0.000 2.679 435 H HA 0.172 4.728 4.556 -0.000 0.000 0.369 435 H C 0.344 175.749 175.328 0.128 0.000 1.178 435 H CA -0.005 56.100 56.048 0.095 0.000 1.419 435 H CB 0.701 30.494 29.762 0.052 0.000 1.458 435 H HN 0.370 nan 8.280 nan 0.000 0.605 436 I N 2.989 123.742 120.570 0.304 0.000 2.588 436 I HA 0.007 4.177 4.170 -0.000 0.000 0.283 436 I C 0.746 176.994 176.117 0.219 0.000 1.119 436 I CA 0.561 61.988 61.300 0.212 0.000 1.419 436 I CB 0.249 38.360 38.000 0.185 0.000 1.394 436 I HN 0.230 nan 8.210 nan 0.000 0.562 437 M N 3.415 123.093 119.600 0.130 0.000 2.662 437 M HA 0.339 4.819 4.480 -0.000 0.000 0.310 437 M C -0.766 175.580 176.300 0.076 0.000 1.204 437 M CA -1.089 54.289 55.300 0.131 0.000 0.891 437 M CB 1.508 34.154 32.600 0.076 0.000 1.732 437 M HN 0.350 nan 8.290 nan 0.000 0.467 438 D N 2.453 122.902 120.400 0.082 0.000 2.793 438 D HA -0.046 4.594 4.640 -0.000 0.000 0.230 438 D C 0.136 176.444 176.300 0.014 0.000 1.139 438 D CA 1.547 55.570 54.000 0.039 0.000 0.838 438 D CB -0.074 40.748 40.800 0.035 0.000 1.149 438 D HN 0.678 nan 8.370 nan 0.000 0.526 439 N N 0.535 119.236 118.700 0.001 0.000 2.997 439 N HA -0.157 4.583 4.740 -0.000 0.000 0.214 439 N C -1.170 174.317 175.510 -0.038 0.000 0.904 439 N CA 0.502 53.544 53.050 -0.014 0.000 1.021 439 N CB -0.785 37.694 38.487 -0.013 0.000 1.040 439 N HN 0.413 nan 8.380 nan 0.000 0.573 440 D N 1.934 122.306 120.400 -0.048 0.000 2.382 440 D HA 0.126 4.766 4.640 -0.000 0.000 0.259 440 D C -2.014 174.246 176.300 -0.067 0.000 1.224 440 D CA -0.666 53.271 54.000 -0.105 0.000 0.894 440 D CB 0.512 41.243 40.800 -0.115 0.000 1.127 440 D HN 0.244 nan 8.370 nan 0.000 0.487 441 P HA 0.022 nan 4.420 nan 0.000 0.269 441 P C -0.434 176.858 177.300 -0.013 0.000 1.209 441 P CA -0.258 62.822 63.100 -0.034 0.000 0.776 441 P CB 1.001 32.677 31.700 -0.040 0.000 0.876 442 V N 0.151 120.076 119.914 0.018 0.000 3.147 442 V HA 0.430 4.550 4.120 -0.000 0.000 0.306 442 V C -0.751 175.389 176.094 0.077 0.000 1.209 442 V CA -1.181 61.151 62.300 0.052 0.000 1.023 442 V CB 2.403 34.261 31.823 0.058 0.000 1.059 442 V HN 0.382 nan 8.190 nan 0.000 0.435 443 L N 2.990 124.280 121.223 0.112 0.000 2.257 443 L HA 0.568 4.908 4.340 -0.000 0.000 0.290 443 L C -1.275 175.701 176.870 0.178 0.000 1.044 443 L CA -0.091 54.829 54.840 0.134 0.000 0.810 443 L CB 1.037 43.187 42.059 0.152 0.000 1.193 443 L HN 0.862 nan 8.230 nan 0.000 0.425 444 F N 6.856 126.801 119.950 -0.008 0.000 2.469 444 F HA 0.514 5.041 4.527 -0.000 0.000 0.332 444 F C -0.127 175.596 175.800 -0.128 0.000 1.103 444 F CA -0.729 57.198 58.000 -0.121 0.000 0.979 444 F CB 1.330 40.333 39.000 0.004 0.000 1.137 444 F HN 0.597 nan 8.300 nan 0.000 0.463 445 N N 4.540 122.816 118.700 -0.707 0.000 2.825 445 N HA 0.411 5.151 4.740 -0.000 0.000 0.253 445 N C -2.138 172.999 175.510 -0.622 0.000 1.426 445 N CA -0.755 51.986 53.050 -0.516 0.000 0.851 445 N CB 2.489 40.897 38.487 -0.131 0.000 1.470 445 N HN 0.848 nan 8.380 nan 0.000 0.517 446 R N 1.313 121.624 120.500 -0.314 0.000 2.514 446 R HA 0.309 4.649 4.340 -0.000 0.000 0.296 446 R C -1.098 175.155 176.300 -0.077 0.000 1.012 446 R CA -0.371 55.598 56.100 -0.219 0.000 0.897 446 R CB 1.436 31.628 30.300 -0.181 0.000 1.184 446 R HN 0.631 nan 8.270 nan 0.000 0.440 447 Q N 3.976 123.735 119.800 -0.068 0.000 2.227 447 Q HA 0.394 4.734 4.340 -0.000 0.000 0.245 447 Q C -1.981 174.000 176.000 -0.032 0.000 0.926 447 Q CA -1.880 53.902 55.803 -0.034 0.000 0.895 447 Q CB 1.213 29.937 28.738 -0.024 0.000 1.230 447 Q HN 0.478 nan 8.270 nan 0.000 0.450 448 P HA 0.060 nan 4.420 nan 0.000 0.275 448 P C -1.122 176.161 177.300 -0.029 0.000 1.227 448 P CA -0.276 62.807 63.100 -0.028 0.000 0.781 448 P CB 0.922 32.601 31.700 -0.034 0.000 0.906 449 S N 2.563 118.252 115.700 -0.020 0.000 2.422 449 S HA 0.357 4.827 4.470 -0.000 0.000 0.298 449 S C 0.580 175.163 174.600 -0.028 0.000 1.118 449 S CA -0.511 57.684 58.200 -0.009 0.000 1.083 449 S CB 0.338 63.541 63.200 0.005 0.000 0.971 449 S HN 0.354 nan 8.310 nan 0.000 0.478 450 L N 0.654 121.852 121.223 -0.042 0.000 3.515 450 L HA 0.454 4.793 4.340 -0.000 0.000 0.322 450 L C 0.103 176.957 176.870 -0.026 0.000 1.225 450 L CA 0.015 54.812 54.840 -0.071 0.000 1.104 450 L CB -0.638 41.343 42.059 -0.131 0.000 1.506 450 L HN 0.608 nan 8.230 nan 0.000 0.624 451 H N -0.391 118.636 119.070 -0.073 0.000 2.670 451 H HA 0.400 4.956 4.556 -0.000 0.000 0.361 451 H C 0.249 175.527 175.328 -0.083 0.000 1.169 451 H CA -0.787 55.207 56.048 -0.089 0.000 1.198 451 H CB 2.647 32.353 29.762 -0.093 0.000 1.700 451 H HN -0.100 nan 8.280 nan 0.000 0.542 452 K N 1.390 121.778 120.400 -0.020 0.000 2.002 452 K HA -0.128 4.191 4.320 -0.000 0.000 0.209 452 K C 1.547 178.104 176.600 -0.071 0.000 1.048 452 K CA 1.701 57.946 56.287 -0.070 0.000 0.930 452 K CB 0.041 32.468 32.500 -0.121 0.000 0.714 452 K HN 0.508 nan 8.250 nan 0.000 0.438 453 M N 0.341 119.849 119.600 -0.154 0.000 2.629 453 M HA -0.084 4.396 4.480 -0.000 0.000 0.257 453 M C 1.868 178.097 176.300 -0.119 0.000 1.071 453 M CA 0.903 56.086 55.300 -0.195 0.000 1.077 453 M CB -0.152 32.249 32.600 -0.331 0.000 1.423 453 M HN -0.081 nan 8.290 nan 0.000 0.508 454 S N -0.135 115.589 115.700 0.040 0.000 2.507 454 S HA 0.137 4.607 4.470 -0.000 0.000 0.235 454 S C 0.626 175.360 174.600 0.223 0.000 0.988 454 S CA 0.691 58.970 58.200 0.131 0.000 0.944 454 S CB -0.041 63.220 63.200 0.101 0.000 0.762 454 S HN 0.413 nan 8.310 nan 0.000 0.526 455 M N 1.258 120.947 119.600 0.149 0.000 2.204 455 M HA 0.482 4.962 4.480 -0.000 0.000 0.293 455 M C -1.024 175.362 176.300 0.144 0.000 0.994 455 M CA 0.056 55.458 55.300 0.170 0.000 0.925 455 M CB 2.145 34.796 32.600 0.086 0.000 1.577 455 M HN 0.085 nan 8.290 nan 0.000 0.439 456 M N 1.458 121.196 119.600 0.229 0.000 2.667 456 M HA 0.796 5.276 4.480 -0.000 0.000 0.286 456 M C -0.923 175.328 176.300 -0.082 0.000 1.270 456 M CA -0.891 54.431 55.300 0.037 0.000 0.826 456 M CB 2.685 35.274 32.600 -0.018 0.000 1.743 456 M HN 0.721 nan 8.290 nan 0.000 0.460 457 A N 0.867 123.559 122.820 -0.212 0.000 2.288 457 A HA 0.727 5.047 4.320 -0.000 0.000 0.320 457 A C -1.131 176.223 177.584 -0.383 0.000 1.217 457 A CA -0.512 51.404 52.037 -0.201 0.000 0.840 457 A CB 0.351 19.296 19.000 -0.092 0.000 1.179 457 A HN 0.821 nan 8.150 nan 0.000 0.504 458 H N 1.077 120.162 119.070 0.025 0.000 2.737 458 H HA 0.467 5.023 4.556 -0.000 0.000 0.358 458 H C -0.507 174.796 175.328 -0.042 0.000 1.187 458 H CA -0.659 55.377 56.048 -0.020 0.000 1.221 458 H CB 1.379 31.091 29.762 -0.082 0.000 1.799 458 H HN 0.679 nan 8.280 nan 0.000 0.568 459 R N 0.687 121.249 120.500 0.104 0.000 2.265 459 R HA 0.344 4.684 4.340 -0.000 0.000 0.319 459 R C -0.353 175.952 176.300 0.008 0.000 1.006 459 R CA -0.666 55.453 56.100 0.032 0.000 0.880 459 R CB 1.274 31.587 30.300 0.022 0.000 1.077 459 R HN 0.173 nan 8.270 nan 0.000 0.454 460 V N 3.550 123.462 119.914 -0.004 0.000 2.843 460 V HA 0.081 4.201 4.120 -0.000 0.000 0.305 460 V C 0.377 176.463 176.094 -0.014 0.000 1.065 460 V CA 0.357 62.648 62.300 -0.016 0.000 1.116 460 V CB 0.967 32.793 31.823 0.004 0.000 0.968 460 V HN 0.547 nan 8.190 nan 0.000 0.487 461 K N 3.629 124.013 120.400 -0.027 0.000 2.652 461 K HA 0.338 4.658 4.320 -0.000 0.000 0.249 461 K C -1.315 175.265 176.600 -0.032 0.000 0.986 461 K CA -0.489 55.785 56.287 -0.023 0.000 0.867 461 K CB 1.802 34.282 32.500 -0.033 0.000 1.201 461 K HN 0.430 nan 8.250 nan 0.000 0.450 462 V N 5.642 125.535 119.914 -0.036 0.000 2.427 462 V HA 0.376 4.495 4.120 -0.000 0.000 0.268 462 V C 0.853 176.892 176.094 -0.091 0.000 1.046 462 V CA -0.631 61.611 62.300 -0.097 0.000 0.970 462 V CB -0.489 31.205 31.823 -0.216 0.000 1.001 462 V HN 0.614 nan 8.190 nan 0.000 0.476 463 I N 3.655 124.178 120.570 -0.079 0.000 3.170 463 I HA 0.882 5.052 4.170 -0.000 0.000 0.312 463 I C -2.532 173.559 176.117 -0.044 0.000 1.085 463 I CA -2.530 58.746 61.300 -0.040 0.000 0.999 463 I CB 2.291 40.284 38.000 -0.011 0.000 1.233 463 I HN 0.381 nan 8.210 nan 0.000 0.467 464 P HA 0.403 nan 4.420 nan 0.000 0.310 464 P C -1.484 175.888 177.300 0.120 0.000 1.309 464 P CA -0.343 62.754 63.100 -0.006 0.000 0.769 464 P CB 0.449 32.130 31.700 -0.031 0.000 1.327 465 Y N -2.829 117.419 120.300 -0.088 0.000 2.509 465 Y HA -0.206 4.344 4.550 -0.000 0.000 0.025 465 Y C 1.140 176.972 175.900 -0.113 0.000 1.704 465 Y CA 0.708 58.755 58.100 -0.088 0.000 1.417 465 Y CB -2.186 36.227 38.460 -0.078 0.000 2.062 465 Y HN 0.205 nan 8.280 nan 0.000 0.254 466 S N 0.506 116.222 115.700 0.027 0.000 2.871 466 S HA 0.293 4.763 4.470 -0.000 0.000 0.254 466 S C 0.158 174.678 174.600 -0.134 0.000 1.088 466 S CA 0.297 58.452 58.200 -0.076 0.000 1.166 466 S CB -0.700 62.452 63.200 -0.080 0.000 0.826 466 S HN 0.703 nan 8.310 nan 0.000 0.471 467 T N -1.663 112.817 114.554 -0.124 0.000 2.909 467 T HA 0.631 4.981 4.350 -0.000 0.000 0.299 467 T C -0.459 174.158 174.700 -0.138 0.000 1.073 467 T CA -0.836 61.165 62.100 -0.165 0.000 0.999 467 T CB 0.630 69.451 68.868 -0.078 0.000 1.098 467 T HN 0.115 nan 8.240 nan 0.000 0.477 468 F N 1.930 121.866 119.950 -0.023 0.000 2.504 468 F HA 0.354 4.881 4.527 -0.000 0.000 0.369 468 F C 1.552 177.291 175.800 -0.103 0.000 1.082 468 F CA -0.689 57.268 58.000 -0.073 0.000 1.216 468 F CB 0.733 39.753 39.000 0.032 0.000 1.108 468 F HN 0.234 nan 8.300 nan 0.000 0.554 469 R N 5.378 125.896 120.500 0.030 0.000 2.295 469 R HA 0.587 4.927 4.340 -0.000 0.000 0.324 469 R C -1.255 174.968 176.300 -0.128 0.000 0.968 469 R CA -0.983 55.079 56.100 -0.064 0.000 0.837 469 R CB 1.540 31.793 30.300 -0.079 0.000 1.133 469 R HN 0.543 nan 8.270 nan 0.000 0.450 470 L N -0.078 121.109 121.223 -0.060 0.000 2.388 470 L HA 0.567 4.907 4.340 -0.000 0.000 0.264 470 L C -0.396 176.504 176.870 0.049 0.000 0.998 470 L CA -1.191 53.617 54.840 -0.052 0.000 0.817 470 L CB 1.380 43.457 42.059 0.030 0.000 1.338 470 L HN 0.274 nan 8.230 nan 0.000 0.414 471 N N 1.680 120.400 118.700 0.034 0.000 2.475 471 N HA 0.202 4.942 4.740 -0.000 0.000 0.267 471 N C 0.856 176.442 175.510 0.125 0.000 1.169 471 N CA 0.065 53.156 53.050 0.069 0.000 0.947 471 N CB 0.698 39.208 38.487 0.037 0.000 1.061 471 N HN 0.885 nan 8.380 nan 0.000 0.466 472 L N 2.322 123.637 121.223 0.152 0.000 2.040 472 L HA -0.388 3.952 4.340 -0.000 0.000 0.228 472 L C 2.223 179.161 176.870 0.113 0.000 1.092 472 L CA 1.953 56.898 54.840 0.174 0.000 0.805 472 L CB -0.832 41.321 42.059 0.157 0.000 0.905 472 L HN 0.577 nan 8.230 nan 0.000 0.443 473 S N -0.892 114.850 115.700 0.070 0.000 2.380 473 S HA -0.227 4.243 4.470 -0.000 0.000 0.229 473 S C 1.713 176.278 174.600 -0.058 0.000 1.043 473 S CA 1.589 59.786 58.200 -0.005 0.000 1.038 473 S CB -0.559 62.554 63.200 -0.145 0.000 0.872 473 S HN 0.343 nan 8.310 nan 0.000 0.456 474 V N 1.635 121.531 119.914 -0.030 0.000 3.541 474 V HA -0.064 4.056 4.120 -0.000 0.000 0.272 474 V C 2.131 178.288 176.094 0.105 0.000 1.215 474 V CA 1.583 63.891 62.300 0.013 0.000 1.176 474 V CB -0.894 31.035 31.823 0.177 0.000 0.854 474 V HN 0.597 nan 8.190 nan 0.000 0.496 475 T N -0.134 114.481 114.554 0.103 0.000 2.770 475 T HA -0.159 4.191 4.350 -0.000 0.000 0.263 475 T C 2.143 176.868 174.700 0.041 0.000 1.039 475 T CA 2.058 64.222 62.100 0.106 0.000 1.142 475 T CB -0.219 68.664 68.868 0.025 0.000 0.868 475 T HN 0.818 nan 8.240 nan 0.000 0.435 476 S N 1.066 116.765 115.700 -0.002 0.000 2.469 476 S HA 0.042 4.512 4.470 -0.000 0.000 0.238 476 S C -0.734 173.848 174.600 -0.030 0.000 0.998 476 S CA 0.498 58.689 58.200 -0.014 0.000 0.957 476 S CB -1.198 61.997 63.200 -0.007 0.000 0.764 476 S HN 0.438 nan 8.310 nan 0.000 0.514 477 P HA 0.038 nan 4.420 nan 0.000 0.213 477 P C 0.827 178.041 177.300 -0.144 0.000 1.169 477 P CA 0.974 63.961 63.100 -0.189 0.000 0.885 477 P CB -0.222 31.237 31.700 -0.403 0.000 0.779 478 Y N -1.473 118.840 120.300 0.021 0.000 2.403 478 Y HA -0.063 4.487 4.550 -0.000 0.000 0.291 478 Y C 0.712 176.593 175.900 -0.031 0.000 1.143 478 Y CA 0.562 58.655 58.100 -0.012 0.000 1.257 478 Y CB -0.688 37.744 38.460 -0.047 0.000 0.984 478 Y HN 0.019 nan 8.280 nan 0.000 0.550 479 N N 0.522 119.275 118.700 0.089 0.000 2.411 479 N HA -0.147 4.593 4.740 -0.000 0.000 0.286 479 N C -1.278 174.235 175.510 0.006 0.000 1.382 479 N CA 0.698 53.759 53.050 0.019 0.000 0.630 479 N CB -0.845 37.636 38.487 -0.010 0.000 0.904 479 N HN 0.394 nan 8.380 nan 0.000 0.516 480 A N 2.523 125.322 122.820 -0.036 0.000 2.589 480 A HA 0.628 4.948 4.320 -0.000 0.000 0.296 480 A C -1.101 176.319 177.584 -0.273 0.000 1.062 480 A CA -0.213 51.762 52.037 -0.104 0.000 0.686 480 A CB 1.304 20.271 19.000 -0.055 0.000 1.282 480 A HN 0.670 nan 8.150 nan 0.000 0.404 481 D N -0.775 119.446 120.400 -0.299 0.000 2.525 481 D HA 0.640 5.280 4.640 -0.000 0.000 0.249 481 D C -0.362 175.659 176.300 -0.465 0.000 1.072 481 D CA -0.587 53.144 54.000 -0.448 0.000 1.067 481 D CB 0.459 41.143 40.800 -0.193 0.000 1.282 481 D HN 0.286 nan 8.370 nan 0.000 0.587 482 F N -0.852 119.114 119.950 0.027 0.000 2.647 482 F HA 0.139 4.665 4.527 -0.000 0.000 0.300 482 F C 0.697 176.506 175.800 0.016 0.000 1.106 482 F CA -0.745 57.270 58.000 0.025 0.000 1.313 482 F CB 0.260 39.274 39.000 0.025 0.000 1.007 482 F HN 0.218 nan 8.300 nan 0.000 0.536 483 D N 0.210 120.680 120.400 0.117 0.000 2.488 483 D HA 0.115 4.754 4.640 -0.000 0.000 0.260 483 D C 1.459 177.798 176.300 0.066 0.000 1.273 483 D CA 0.487 54.532 54.000 0.075 0.000 0.912 483 D CB -0.499 40.320 40.800 0.031 0.000 0.982 483 D HN 0.350 nan 8.370 nan 0.000 0.492 484 G N 0.070 108.927 108.800 0.095 0.000 2.140 484 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.211 484 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.211 484 G C -0.619 174.320 174.900 0.065 0.000 1.013 484 G CA -0.392 44.751 45.100 0.072 0.000 0.705 484 G HN 0.400 nan 8.290 nan 0.000 0.508 485 D N 0.743 121.194 120.400 0.085 0.000 2.345 485 D HA 0.457 5.097 4.640 -0.000 0.000 0.247 485 D C 0.649 176.997 176.300 0.080 0.000 1.108 485 D CA 0.279 54.315 54.000 0.059 0.000 0.894 485 D CB 0.943 41.766 40.800 0.037 0.000 1.203 485 D HN 0.469 nan 8.370 nan 0.000 0.430 486 E N 1.323 121.552 120.200 0.050 0.000 2.204 486 E HA 0.451 4.801 4.350 -0.000 0.000 0.276 486 E C -0.180 176.435 176.600 0.025 0.000 0.974 486 E CA -0.594 55.844 56.400 0.063 0.000 0.815 486 E CB 1.636 31.363 29.700 0.045 0.000 1.119 486 E HN 0.266 nan 8.360 nan 0.000 0.393 487 M N 1.719 121.360 119.600 0.068 0.000 2.619 487 M HA 0.395 4.875 4.480 -0.000 0.000 0.297 487 M C -0.942 175.293 176.300 -0.109 0.000 1.229 487 M CA -1.017 54.207 55.300 -0.127 0.000 0.860 487 M CB 2.127 34.531 32.600 -0.327 0.000 1.741 487 M HN 0.364 nan 8.290 nan 0.000 0.462 488 N N 1.521 120.005 118.700 -0.361 0.000 2.370 488 N HA 0.751 5.491 4.740 -0.000 0.000 0.303 488 N C -1.662 173.598 175.510 -0.415 0.000 1.103 488 N CA -0.504 52.362 53.050 -0.305 0.000 0.848 488 N CB 2.108 40.432 38.487 -0.271 0.000 1.235 488 N HN 0.440 nan 8.380 nan 0.000 0.496 489 L N 1.715 122.733 121.223 -0.341 0.000 2.408 489 L HA 0.498 4.838 4.340 -0.000 0.000 0.268 489 L C -1.433 175.230 176.870 -0.344 0.000 0.986 489 L CA -0.467 54.231 54.840 -0.237 0.000 0.820 489 L CB 1.387 43.357 42.059 -0.149 0.000 1.303 489 L HN 0.533 nan 8.230 nan 0.000 0.411 490 H N 3.674 122.803 119.070 0.097 0.000 2.600 490 H HA 0.613 5.169 4.556 -0.000 0.000 0.357 490 H C -1.068 174.332 175.328 0.120 0.000 1.106 490 H CA -0.629 55.488 56.048 0.115 0.000 1.193 490 H CB 2.348 32.160 29.762 0.083 0.000 1.594 490 H HN 0.417 nan 8.280 nan 0.000 0.526 491 V N 5.668 125.753 119.914 0.284 0.000 2.427 491 V HA 0.210 4.330 4.120 -0.000 0.000 0.286 491 V C -1.611 174.563 176.094 0.133 0.000 1.034 491 V CA -1.399 61.026 62.300 0.209 0.000 0.893 491 V CB 1.659 33.650 31.823 0.280 0.000 0.982 491 V HN 0.653 nan 8.190 nan 0.000 0.452 492 P HA 0.193 nan 4.420 nan 0.000 0.275 492 P C -0.596 176.756 177.300 0.086 0.000 1.270 492 P CA -0.016 63.128 63.100 0.074 0.000 0.791 492 P CB 1.438 33.182 31.700 0.073 0.000 1.089 493 Q N -1.934 117.906 119.800 0.068 0.000 2.106 493 Q HA 0.194 4.534 4.340 -0.000 0.000 0.230 493 Q C -0.234 175.739 176.000 -0.045 0.000 0.720 493 Q CA 0.414 56.189 55.803 -0.047 0.000 0.899 493 Q CB 0.406 28.992 28.738 -0.254 0.000 1.232 493 Q HN 0.343 nan 8.270 nan 0.000 0.461 494 S N 0.584 116.310 115.700 0.044 0.000 2.473 494 S HA 0.198 4.667 4.470 -0.000 0.000 0.307 494 S C 0.383 175.054 174.600 0.120 0.000 1.094 494 S CA -0.488 57.732 58.200 0.034 0.000 1.070 494 S CB 1.706 64.906 63.200 0.000 0.000 1.019 494 S HN 0.150 nan 8.310 nan 0.000 0.480 495 E N 2.890 123.175 120.200 0.142 0.000 2.197 495 E HA -0.280 4.069 4.350 -0.000 0.000 0.205 495 E C 1.771 178.423 176.600 0.086 0.000 1.029 495 E CA 2.369 58.858 56.400 0.149 0.000 0.828 495 E CB -0.048 29.723 29.700 0.117 0.000 0.737 495 E HN 0.870 nan 8.360 nan 0.000 0.464 496 E N -1.817 118.420 120.200 0.061 0.000 2.112 496 E HA -0.092 4.258 4.350 -0.000 0.000 0.190 496 E C 2.034 178.654 176.600 0.033 0.000 0.979 496 E CA 1.375 57.801 56.400 0.043 0.000 0.814 496 E CB -0.512 29.209 29.700 0.034 0.000 0.762 496 E HN 0.042 nan 8.360 nan 0.000 0.460 497 T N 1.187 115.762 114.554 0.034 0.000 2.622 497 T HA -0.177 4.173 4.350 -0.000 0.000 0.266 497 T C 1.746 176.461 174.700 0.025 0.000 1.047 497 T CA 1.979 64.092 62.100 0.023 0.000 1.159 497 T CB -0.256 68.626 68.868 0.023 0.000 0.863 497 T HN 0.233 nan 8.240 nan 0.000 0.422 498 R N 1.374 121.899 120.500 0.042 0.000 2.179 498 R HA -0.222 4.118 4.340 -0.000 0.000 0.238 498 R C 2.745 179.048 176.300 0.006 0.000 1.119 498 R CA 1.693 57.804 56.100 0.018 0.000 0.915 498 R CB -1.152 29.152 30.300 0.006 0.000 0.870 498 R HN 0.410 nan 8.270 nan 0.000 0.432 499 A N 1.219 124.046 122.820 0.012 0.000 1.969 499 A HA -0.327 3.993 4.320 -0.000 0.000 0.223 499 A C 2.112 179.698 177.584 0.003 0.000 1.218 499 A CA 2.216 54.258 52.037 0.008 0.000 0.667 499 A CB -0.704 18.308 19.000 0.020 0.000 0.826 499 A HN 0.553 nan 8.150 nan 0.000 0.472 500 E N -0.849 119.353 120.200 0.004 0.000 2.110 500 E HA -0.130 4.219 4.350 -0.000 0.000 0.193 500 E C 1.984 178.576 176.600 -0.015 0.000 0.988 500 E CA 1.070 57.466 56.400 -0.005 0.000 0.804 500 E CB -0.164 29.530 29.700 -0.009 0.000 0.745 500 E HN 0.705 nan 8.360 nan 0.000 0.458 501 L N 0.268 121.484 121.223 -0.012 0.000 2.023 501 L HA -0.139 4.201 4.340 -0.000 0.000 0.205 501 L C 2.612 179.464 176.870 -0.029 0.000 1.073 501 L CA 1.298 56.127 54.840 -0.019 0.000 0.745 501 L CB -0.357 41.697 42.059 -0.009 0.000 0.900 501 L HN 0.169 nan 8.230 nan 0.000 0.435 502 S N -1.417 114.269 115.700 -0.024 0.000 2.474 502 S HA -0.172 4.298 4.470 -0.000 0.000 0.235 502 S C 1.800 176.385 174.600 -0.026 0.000 0.997 502 S CA 0.745 58.928 58.200 -0.027 0.000 0.949 502 S CB -0.097 63.089 63.200 -0.023 0.000 0.766 502 S HN 0.311 nan 8.310 nan 0.000 0.517 503 Q N -0.217 119.570 119.800 -0.022 0.000 2.378 503 Q HA 0.456 4.796 4.340 -0.000 0.000 0.216 503 Q C 1.062 177.041 176.000 -0.034 0.000 0.892 503 Q CA 0.512 56.302 55.803 -0.022 0.000 0.931 503 Q CB 0.260 28.991 28.738 -0.011 0.000 1.086 503 Q HN 0.582 nan 8.270 nan 0.000 0.528 504 L N -3.114 118.085 121.223 -0.039 0.000 3.066 504 L HA 0.186 4.526 4.340 -0.000 0.000 0.272 504 L C 1.172 178.007 176.870 -0.058 0.000 1.101 504 L CA 0.274 55.083 54.840 -0.052 0.000 1.022 504 L CB 0.170 42.198 42.059 -0.052 0.000 1.600 504 L HN -0.014 nan 8.230 nan 0.000 0.559 505 C N 0.868 120.135 119.300 -0.054 0.000 2.673 505 C HA 0.587 5.047 4.460 -0.000 0.000 0.264 505 C C 1.660 176.599 174.990 -0.084 0.000 1.304 505 C CA -0.604 58.377 59.018 -0.062 0.000 1.727 505 C CB -0.891 26.823 27.740 -0.045 0.000 1.932 505 C HN 0.411 nan 8.230 nan 0.000 0.563 506 A N 0.784 123.556 122.820 -0.080 0.000 2.507 506 A HA 0.295 4.615 4.320 -0.000 0.000 0.235 506 A C 1.412 178.928 177.584 -0.112 0.000 1.070 506 A CA 0.287 52.267 52.037 -0.096 0.000 0.768 506 A CB 0.321 19.283 19.000 -0.063 0.000 1.011 506 A HN 0.221 nan 8.150 nan 0.000 0.502 507 V N 2.469 122.302 119.914 -0.135 0.000 2.307 507 V HA -0.130 3.990 4.120 -0.000 0.000 0.245 507 V C -0.502 175.536 176.094 -0.093 0.000 1.045 507 V CA 2.420 64.647 62.300 -0.122 0.000 1.024 507 V CB -1.599 30.172 31.823 -0.086 0.000 0.651 507 V HN 0.814 nan 8.190 nan 0.000 0.449 508 P HA -0.163 nan 4.420 nan 0.000 0.219 508 P C 1.627 178.904 177.300 -0.039 0.000 1.144 508 P CA 1.447 64.528 63.100 -0.033 0.000 0.806 508 P CB -0.053 31.642 31.700 -0.008 0.000 0.771 509 L N -1.391 119.797 121.223 -0.058 0.000 2.102 509 L HA -0.072 4.268 4.340 -0.000 0.000 0.202 509 L C 2.279 179.098 176.870 -0.086 0.000 1.076 509 L CA 0.976 55.779 54.840 -0.062 0.000 0.761 509 L CB -0.943 41.078 42.059 -0.063 0.000 0.921 509 L HN -0.181 nan 8.230 nan 0.000 0.444 510 Q N 0.261 119.997 119.800 -0.106 0.000 2.515 510 Q HA -0.127 4.213 4.340 -0.000 0.000 0.215 510 Q C 2.132 178.050 176.000 -0.137 0.000 0.983 510 Q CA 0.867 56.589 55.803 -0.135 0.000 0.905 510 Q CB -0.300 28.340 28.738 -0.164 0.000 0.961 510 Q HN 0.463 nan 8.270 nan 0.000 0.503 511 I N -0.179 120.326 120.570 -0.107 0.000 2.113 511 I HA -0.203 3.967 4.170 -0.000 0.000 0.242 511 I C 1.022 177.069 176.117 -0.117 0.000 1.064 511 I CA 0.919 62.168 61.300 -0.086 0.000 1.320 511 I CB -1.240 36.749 38.000 -0.019 0.000 1.028 511 I HN -0.098 nan 8.210 nan 0.000 0.406 512 V N 1.626 121.449 119.914 -0.152 0.000 2.432 512 V HA 0.221 4.341 4.120 -0.000 0.000 0.275 512 V C 0.459 176.453 176.094 -0.167 0.000 1.043 512 V CA -0.394 61.782 62.300 -0.206 0.000 0.925 512 V CB 1.256 32.921 31.823 -0.263 0.000 0.985 512 V HN 0.303 nan 8.190 nan 0.000 0.466 513 S N 6.632 122.246 115.700 -0.144 0.000 2.442 513 S HA 0.462 4.932 4.470 -0.000 0.000 0.297 513 S C -1.200 173.361 174.600 -0.064 0.000 1.131 513 S CA -1.538 56.588 58.200 -0.123 0.000 1.092 513 S CB 1.675 64.787 63.200 -0.146 0.000 0.998 513 S HN 0.660 nan 8.310 nan 0.000 0.478 514 P HA -0.070 nan 4.420 nan 0.000 0.236 514 P C 0.616 178.019 177.300 0.170 0.000 1.177 514 P CA 0.536 63.671 63.100 0.059 0.000 0.773 514 P CB -0.064 31.680 31.700 0.074 0.000 0.878 515 Q N 0.393 120.227 119.800 0.056 0.000 2.444 515 Q HA 0.096 4.436 4.340 -0.000 0.000 0.206 515 Q C 0.570 176.581 176.000 0.018 0.000 0.948 515 Q CA 0.606 56.445 55.803 0.060 0.000 0.946 515 Q CB -0.232 28.425 28.738 -0.135 0.000 1.027 515 Q HN 0.152 nan 8.270 nan 0.000 0.513 516 S N -0.599 115.104 115.700 0.004 0.000 2.762 516 S HA 0.057 4.526 4.470 -0.000 0.000 0.217 516 S C -0.365 174.306 174.600 0.119 0.000 0.752 516 S CA -0.307 57.861 58.200 -0.053 0.000 1.029 516 S CB -1.231 61.954 63.200 -0.025 0.000 1.502 516 S HN 0.526 nan 8.310 nan 0.000 0.510 517 N N 1.813 120.572 118.700 0.098 0.000 2.651 517 N HA -0.311 4.429 4.740 -0.000 0.000 0.249 517 N C -0.307 175.273 175.510 0.117 0.000 1.054 517 N CA 2.016 55.131 53.050 0.109 0.000 0.765 517 N CB -1.766 36.818 38.487 0.162 0.000 0.988 517 N HN 1.014 nan 8.380 nan 0.000 0.543 518 K N -2.295 118.143 120.400 0.062 0.000 2.395 518 K HA 0.642 4.962 4.320 -0.000 0.000 0.247 518 K C -3.155 173.392 176.600 -0.088 0.000 0.973 518 K CA -2.288 54.021 56.287 0.036 0.000 0.828 518 K CB 2.762 35.330 32.500 0.113 0.000 1.272 518 K HN -0.143 nan 8.250 nan 0.000 0.439 519 P HA 0.001 nan 4.420 nan 0.000 0.272 519 P C 0.365 177.633 177.300 -0.054 0.000 1.223 519 P CA -0.441 62.575 63.100 -0.141 0.000 0.784 519 P CB 0.604 32.234 31.700 -0.117 0.000 0.923 520 C N 1.220 120.481 119.300 -0.065 0.000 2.863 520 C HA 0.613 5.073 4.460 -0.000 0.000 0.284 520 C C 0.205 175.168 174.990 -0.046 0.000 1.426 520 C CA -0.588 58.395 59.018 -0.058 0.000 1.782 520 C CB -1.441 26.229 27.740 -0.118 0.000 2.554 520 C HN 0.390 nan 8.230 nan 0.000 0.566 521 M N 1.032 120.633 119.600 0.001 0.000 2.378 521 M HA 0.645 5.125 4.480 -0.000 0.000 0.289 521 M C 0.012 176.433 176.300 0.201 0.000 1.136 521 M CA 0.179 55.492 55.300 0.021 0.000 0.917 521 M CB 2.445 34.974 32.600 -0.118 0.000 1.669 521 M HN 0.461 nan 8.290 nan 0.000 0.461 522 G N 1.976 110.915 108.800 0.231 0.000 2.870 522 G HA2 0.761 4.721 3.960 -0.000 0.000 0.299 522 G HA3 0.761 4.721 3.960 -0.000 0.000 0.299 522 G C -1.606 173.492 174.900 0.331 0.000 1.324 522 G CA -0.731 44.563 45.100 0.324 0.000 0.808 522 G HN 0.612 nan 8.290 nan 0.000 0.535 523 I N 0.694 121.377 120.570 0.188 0.000 2.365 523 I HA 0.495 4.665 4.170 -0.000 0.000 0.291 523 I C -0.173 175.999 176.117 0.091 0.000 1.004 523 I CA -0.512 60.874 61.300 0.144 0.000 1.311 523 I CB 1.494 39.528 38.000 0.057 0.000 1.401 523 I HN 0.099 nan 8.210 nan 0.000 0.491 524 V N 4.743 124.711 119.914 0.090 0.000 3.167 524 V HA 0.454 4.574 4.120 -0.000 0.000 0.310 524 V C 0.074 176.204 176.094 0.059 0.000 1.207 524 V CA -0.683 61.655 62.300 0.064 0.000 1.059 524 V CB 1.624 33.484 31.823 0.061 0.000 1.079 524 V HN 0.902 nan 8.190 nan 0.000 0.446 525 Q N -0.122 119.708 119.800 0.051 0.000 1.592 525 Q HA -0.328 4.012 4.340 -0.000 0.000 0.416 525 Q C 1.000 177.028 176.000 0.046 0.000 0.923 525 Q CA 1.844 57.681 55.803 0.056 0.000 0.689 525 Q CB -1.235 27.548 28.738 0.076 0.000 4.407 525 Q HN 0.985 nan 8.270 nan 0.000 0.676 526 D N 0.331 120.767 120.400 0.061 0.000 2.495 526 D HA -0.197 4.443 4.640 -0.000 0.000 0.201 526 D C 1.909 178.228 176.300 0.032 0.000 1.041 526 D CA 2.977 57.008 54.000 0.052 0.000 0.890 526 D CB -0.891 39.947 40.800 0.064 0.000 1.089 526 D HN 0.686 nan 8.370 nan 0.000 0.471 527 T N 0.330 114.910 114.554 0.044 0.000 2.736 527 T HA -0.265 4.085 4.350 -0.000 0.000 0.265 527 T C 1.868 176.574 174.700 0.010 0.000 1.031 527 T CA 1.653 63.774 62.100 0.035 0.000 1.155 527 T CB -0.485 68.416 68.868 0.056 0.000 0.849 527 T HN 0.111 nan 8.240 nan 0.000 0.471 528 L N 0.459 121.687 121.223 0.007 0.000 2.013 528 L HA 0.155 4.495 4.340 -0.000 0.000 0.204 528 L C 2.786 179.626 176.870 -0.050 0.000 1.081 528 L CA 1.434 56.264 54.840 -0.017 0.000 0.751 528 L CB -1.284 40.774 42.059 -0.002 0.000 0.901 528 L HN 0.395 nan 8.230 nan 0.000 0.440 529 C N 0.491 119.754 119.300 -0.062 0.000 2.375 529 C HA -0.225 4.235 4.460 -0.000 0.000 0.274 529 C C 2.790 177.690 174.990 -0.150 0.000 1.190 529 C CA 1.359 60.295 59.018 -0.136 0.000 1.775 529 C CB -1.712 25.914 27.740 -0.189 0.000 2.067 529 C HN 0.781 nan 8.230 nan 0.000 0.463 530 G N -0.455 108.298 108.800 -0.079 0.000 2.404 530 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.215 530 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.215 530 G C 1.585 176.441 174.900 -0.073 0.000 1.174 530 G CA 0.809 45.915 45.100 0.010 0.000 0.780 530 G HN 0.647 nan 8.290 nan 0.000 0.537 531 I N 0.668 121.179 120.570 -0.097 0.000 2.236 531 I HA -0.300 3.870 4.170 -0.000 0.000 0.249 531 I C 2.811 178.810 176.117 -0.198 0.000 1.102 531 I CA 2.069 63.271 61.300 -0.163 0.000 1.365 531 I CB -0.057 37.872 38.000 -0.118 0.000 1.051 531 I HN 0.270 nan 8.210 nan 0.000 0.420 532 R N 1.044 121.456 120.500 -0.147 0.000 2.075 532 R HA -0.200 4.140 4.340 -0.000 0.000 0.230 532 R C 2.304 178.514 176.300 -0.149 0.000 1.140 532 R CA 1.753 57.773 56.100 -0.133 0.000 0.928 532 R CB -0.361 29.880 30.300 -0.099 0.000 0.834 532 R HN 0.209 nan 8.270 nan 0.000 0.429 533 K N 0.446 120.776 120.400 -0.116 0.000 2.030 533 K HA -0.254 4.066 4.320 -0.000 0.000 0.222 533 K C 2.165 178.642 176.600 -0.205 0.000 1.056 533 K CA 2.089 58.346 56.287 -0.049 0.000 0.957 533 K CB -0.723 31.871 32.500 0.157 0.000 0.727 533 K HN 0.224 nan 8.250 nan 0.000 0.452 534 L N 1.625 122.478 121.223 -0.617 0.000 2.137 534 L HA -0.236 4.104 4.340 -0.000 0.000 0.213 534 L C 2.164 178.753 176.870 -0.469 0.000 1.085 534 L CA 1.885 56.161 54.840 -0.940 0.000 0.760 534 L CB -0.595 40.641 42.059 -1.373 0.000 0.893 534 L HN 0.215 nan 8.230 nan 0.000 0.434 535 T N -0.068 114.293 114.554 -0.321 0.000 2.643 535 T HA -0.080 4.270 4.350 -0.000 0.000 0.264 535 T C 0.915 175.522 174.700 -0.156 0.000 1.045 535 T CA 0.556 62.526 62.100 -0.218 0.000 1.155 535 T CB -0.416 68.352 68.868 -0.166 0.000 0.863 535 T HN 0.209 nan 8.240 nan 0.000 0.420 536 L N 1.916 123.077 121.223 -0.103 0.000 3.155 536 L HA -0.219 4.121 4.340 -0.000 0.000 0.368 536 L C 1.786 178.630 176.870 -0.044 0.000 1.206 536 L CA 0.139 54.953 54.840 -0.044 0.000 0.807 536 L CB 0.198 42.258 42.059 0.002 0.000 1.097 536 L HN 0.282 nan 8.230 nan 0.000 0.623 537 R N 1.518 122.012 120.500 -0.010 0.000 2.083 537 R HA -0.194 4.146 4.340 -0.000 0.000 0.237 537 R C 1.616 177.998 176.300 0.138 0.000 1.137 537 R CA 1.633 57.734 56.100 0.001 0.000 0.951 537 R CB -0.307 30.026 30.300 0.054 0.000 0.851 537 R HN 0.685 nan 8.270 nan 0.000 0.434 538 D N 0.491 121.004 120.400 0.189 0.000 2.254 538 D HA -0.106 4.534 4.640 -0.000 0.000 0.201 538 D C -0.135 176.420 176.300 0.425 0.000 0.998 538 D CA 1.043 55.209 54.000 0.278 0.000 0.885 538 D CB -0.058 40.834 40.800 0.153 0.000 0.915 538 D HN 0.074 nan 8.370 nan 0.000 0.460 539 T N 0.483 115.200 114.554 0.272 0.000 2.749 539 T HA 0.340 4.690 4.350 -0.000 0.000 0.295 539 T C -0.480 174.333 174.700 0.188 0.000 0.936 539 T CA -0.180 62.078 62.100 0.263 0.000 1.060 539 T CB 0.311 69.222 68.868 0.073 0.000 0.904 539 T HN -0.154 nan 8.240 nan 0.000 0.500 540 F N 2.846 122.866 119.950 0.116 0.000 2.569 540 F HA 0.600 5.127 4.527 -0.000 0.000 0.312 540 F C -0.399 175.514 175.800 0.188 0.000 1.109 540 F CA -1.469 56.611 58.000 0.133 0.000 0.919 540 F CB 1.138 40.201 39.000 0.104 0.000 1.211 540 F HN 0.287 nan 8.300 nan 0.000 0.446 541 I N 2.019 122.807 120.570 0.362 0.000 2.493 541 I HA 0.356 4.526 4.170 -0.000 0.000 0.298 541 I C -0.315 176.032 176.117 0.384 0.000 0.998 541 I CA -0.826 60.674 61.300 0.333 0.000 1.137 541 I CB 1.724 39.883 38.000 0.265 0.000 1.310 541 I HN 0.575 nan 8.210 nan 0.000 0.445 542 E N 5.205 125.592 120.200 0.312 0.000 2.231 542 E HA 0.291 4.641 4.350 -0.000 0.000 0.277 542 E C 0.814 177.583 176.600 0.283 0.000 0.999 542 E CA -0.752 55.857 56.400 0.348 0.000 0.827 542 E CB 1.564 31.407 29.700 0.238 0.000 1.101 542 E HN 0.468 nan 8.360 nan 0.000 0.393 543 L N 2.955 124.447 121.223 0.449 0.000 2.113 543 L HA -0.356 3.984 4.340 -0.000 0.000 0.237 543 L C 1.793 178.685 176.870 0.038 0.000 1.113 543 L CA 2.917 57.892 54.840 0.225 0.000 0.837 543 L CB -0.969 41.318 42.059 0.380 0.000 0.929 543 L HN 0.953 nan 8.230 nan 0.000 0.449 544 D N -1.545 118.910 120.400 0.093 0.000 2.417 544 D HA -0.253 4.387 4.640 -0.000 0.000 0.225 544 D C 1.796 178.128 176.300 0.053 0.000 0.983 544 D CA 1.563 55.602 54.000 0.065 0.000 0.949 544 D CB -0.188 40.661 40.800 0.082 0.000 0.879 544 D HN 0.779 nan 8.370 nan 0.000 0.520 545 Q N -1.044 118.773 119.800 0.029 0.000 2.237 545 Q HA 0.107 4.447 4.340 -0.000 0.000 0.254 545 Q C 1.540 177.510 176.000 -0.050 0.000 0.771 545 Q CA -0.073 55.758 55.803 0.046 0.000 0.958 545 Q CB 0.815 29.615 28.738 0.103 0.000 1.202 545 Q HN 0.070 nan 8.270 nan 0.000 0.492 546 V N 1.496 121.301 119.914 -0.183 0.000 3.078 546 V HA -0.150 3.969 4.120 -0.000 0.000 0.265 546 V C 1.815 177.633 176.094 -0.460 0.000 1.122 546 V CA 1.240 63.288 62.300 -0.420 0.000 1.141 546 V CB -0.222 31.040 31.823 -0.934 0.000 0.735 546 V HN 0.367 nan 8.190 nan 0.000 0.498 547 L N -0.636 120.397 121.223 -0.317 0.000 2.249 547 L HA 0.054 4.394 4.340 -0.000 0.000 0.207 547 L C 2.249 178.986 176.870 -0.223 0.000 1.090 547 L CA 0.636 55.301 54.840 -0.292 0.000 0.802 547 L CB -0.369 41.585 42.059 -0.174 0.000 0.947 547 L HN 0.339 nan 8.230 nan 0.000 0.453 548 N N 0.140 118.763 118.700 -0.128 0.000 2.207 548 N HA -0.069 4.671 4.740 -0.000 0.000 0.182 548 N C 1.919 177.339 175.510 -0.151 0.000 1.020 548 N CA 1.144 54.145 53.050 -0.080 0.000 0.858 548 N CB -0.051 38.423 38.487 -0.020 0.000 0.991 548 N HN 0.250 nan 8.380 nan 0.000 0.427 549 M N 0.825 120.315 119.600 -0.184 0.000 2.082 549 M HA -0.161 4.319 4.480 -0.000 0.000 0.258 549 M C 2.089 178.260 176.300 -0.215 0.000 1.069 549 M CA 1.420 56.611 55.300 -0.180 0.000 1.102 549 M CB -0.434 32.106 32.600 -0.099 0.000 1.336 549 M HN 0.093 nan 8.290 nan 0.000 0.404 550 L N -1.501 119.482 121.223 -0.400 0.000 1.989 550 L HA -0.277 4.063 4.340 -0.000 0.000 0.211 550 L C 2.608 179.233 176.870 -0.409 0.000 1.071 550 L CA 1.456 55.882 54.840 -0.690 0.000 0.749 550 L CB -1.049 40.176 42.059 -1.391 0.000 0.890 550 L HN 0.249 nan 8.230 nan 0.000 0.431 551 Y N -0.182 119.866 120.300 -0.419 0.000 2.139 551 Y HA -0.308 4.241 4.550 -0.000 0.000 0.282 551 Y C 2.242 178.052 175.900 -0.150 0.000 1.179 551 Y CA 1.248 59.229 58.100 -0.198 0.000 1.161 551 Y CB -0.849 37.494 38.460 -0.195 0.000 0.970 551 Y HN 0.106 nan 8.280 nan 0.000 0.511 552 W N -0.131 120.992 121.300 -0.294 0.000 2.331 552 W HA -0.118 4.542 4.660 -0.000 0.000 0.291 552 W C 0.779 177.173 176.519 -0.208 0.000 1.214 552 W CA 1.516 58.664 57.345 -0.329 0.000 1.228 552 W CB -0.713 28.537 29.460 -0.351 0.000 1.135 552 W HN -0.325 nan 8.180 nan 0.000 0.537 553 V N 4.192 124.143 119.914 0.062 0.000 2.397 553 V HA -0.037 4.083 4.120 -0.000 0.000 0.262 553 V C -0.824 175.319 176.094 0.081 0.000 1.047 553 V CA -0.753 61.590 62.300 0.073 0.000 1.003 553 V CB 0.436 32.299 31.823 0.066 0.000 1.037 553 V HN -0.045 nan 8.190 nan 0.000 0.480 554 P HA -0.087 nan 4.420 nan 0.000 0.225 554 P C 0.477 177.820 177.300 0.072 0.000 1.148 554 P CA 0.977 64.084 63.100 0.012 0.000 0.779 554 P CB 0.464 32.149 31.700 -0.026 0.000 0.780 555 D N -1.594 118.869 120.400 0.106 0.000 2.388 555 D HA 0.024 4.663 4.640 -0.000 0.000 0.221 555 D C 0.032 176.428 176.300 0.160 0.000 1.133 555 D CA -0.354 53.706 54.000 0.099 0.000 0.831 555 D CB -0.213 40.631 40.800 0.074 0.000 0.962 555 D HN 0.175 nan 8.370 nan 0.000 0.502 556 W N 3.805 125.111 121.300 0.009 0.000 2.253 556 W HA 0.026 4.686 4.660 -0.000 0.000 0.322 556 W C 1.100 177.629 176.519 0.016 0.000 1.342 556 W CA -0.909 56.445 57.345 0.015 0.000 1.218 556 W CB 0.642 30.119 29.460 0.028 0.000 1.205 556 W HN -0.044 nan 8.180 nan 0.000 0.551 557 D N 3.585 123.715 120.400 -0.450 0.000 2.390 557 D HA -0.033 4.607 4.640 -0.000 0.000 0.235 557 D C 1.543 177.292 176.300 -0.919 0.000 1.040 557 D CA 0.815 54.507 54.000 -0.514 0.000 0.923 557 D CB -0.583 40.072 40.800 -0.242 0.000 0.886 557 D HN 0.822 nan 8.370 nan 0.000 0.532 558 G N -0.144 107.397 108.800 -2.099 0.000 2.179 558 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.257 558 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.257 558 G C 0.063 174.285 174.900 -1.129 0.000 1.010 558 G CA 0.289 44.085 45.100 -2.174 0.000 0.736 558 G HN 0.400 nan 8.290 nan 0.000 0.513 559 V N 2.083 121.597 119.914 -0.666 0.000 2.350 559 V HA 0.440 4.560 4.120 -0.000 0.000 0.285 559 V C 0.822 177.227 176.094 0.519 0.000 1.014 559 V CA -0.930 61.400 62.300 0.049 0.000 0.831 559 V CB 1.400 33.223 31.823 -0.000 0.000 1.000 559 V HN 0.358 nan 8.190 nan 0.000 0.433 560 I N 7.505 128.358 120.570 0.470 0.000 2.505 560 I HA 0.240 4.410 4.170 -0.000 0.000 0.287 560 I C -1.615 174.681 176.117 0.298 0.000 1.104 560 I CA -1.321 60.196 61.300 0.361 0.000 1.387 560 I CB 0.330 38.488 38.000 0.263 0.000 1.404 560 I HN 0.411 nan 8.210 nan 0.000 0.528 561 P HA 0.104 nan 4.420 nan 0.000 0.275 561 P C -0.377 177.169 177.300 0.411 0.000 1.228 561 P CA -0.275 62.994 63.100 0.282 0.000 0.786 561 P CB 0.589 32.428 31.700 0.232 0.000 0.927 562 T N 4.214 118.922 114.554 0.258 0.000 2.853 562 T HA 0.185 4.535 4.350 -0.000 0.000 0.298 562 T C -2.006 172.730 174.700 0.060 0.000 0.978 562 T CA -0.693 61.508 62.100 0.168 0.000 1.152 562 T CB -0.647 68.264 68.868 0.073 0.000 0.914 562 T HN 0.365 nan 8.240 nan 0.000 0.539 563 P HA 0.086 nan 4.420 nan 0.000 0.270 563 P C 0.349 177.448 177.300 -0.335 0.000 1.216 563 P CA -0.134 62.479 63.100 -0.812 0.000 0.788 563 P CB 0.387 31.421 31.700 -1.110 0.000 0.883 564 A N 1.845 124.500 122.820 -0.274 0.000 2.030 564 A HA 0.145 4.465 4.320 -0.000 0.000 0.215 564 A C 0.862 178.399 177.584 -0.078 0.000 1.164 564 A CA 0.919 52.894 52.037 -0.104 0.000 0.697 564 A CB -0.301 18.666 19.000 -0.054 0.000 0.827 564 A HN 0.468 nan 8.150 nan 0.000 0.457 565 I N 1.023 121.522 120.570 -0.119 0.000 2.418 565 I HA 0.250 4.420 4.170 -0.000 0.000 0.287 565 I C 0.004 176.032 176.117 -0.148 0.000 1.008 565 I CA -0.432 60.825 61.300 -0.071 0.000 1.104 565 I CB 1.931 39.944 38.000 0.021 0.000 1.264 565 I HN 0.108 nan 8.210 nan 0.000 0.438 566 I N 4.591 125.096 120.570 -0.108 0.000 4.312 566 I HA 0.024 4.194 4.170 -0.000 0.000 0.324 566 I C 1.872 177.948 176.117 -0.069 0.000 1.298 566 I CA 0.245 61.480 61.300 -0.109 0.000 1.231 566 I CB -1.132 36.815 38.000 -0.089 0.000 1.152 566 I HN 0.557 nan 8.210 nan 0.000 0.421 567 K N 3.795 124.164 120.400 -0.051 0.000 2.155 567 K HA -0.149 4.170 4.320 -0.000 0.000 0.230 567 K C -0.553 176.026 176.600 -0.034 0.000 0.880 567 K CA 1.736 58.001 56.287 -0.037 0.000 1.043 567 K CB -2.415 30.066 32.500 -0.031 0.000 0.619 567 K HN 0.163 nan 8.250 nan 0.000 0.681 568 P HA -0.027 nan 4.420 nan 0.000 0.217 568 P C -0.245 177.040 177.300 -0.025 0.000 1.153 568 P CA 1.109 64.194 63.100 -0.025 0.000 0.843 568 P CB 0.323 32.010 31.700 -0.023 0.000 0.794 569 K N 1.542 121.923 120.400 -0.032 0.000 2.450 569 K HA 0.335 4.654 4.320 -0.000 0.000 0.257 569 K C -2.602 173.963 176.600 -0.058 0.000 0.953 569 K CA -2.602 53.670 56.287 -0.025 0.000 0.844 569 K CB 1.991 34.487 32.500 -0.007 0.000 1.103 569 K HN -0.099 nan 8.250 nan 0.000 0.429 570 P HA 0.027 nan 4.420 nan 0.000 0.264 570 P C -1.030 176.084 177.300 -0.310 0.000 1.236 570 P CA -0.231 62.724 63.100 -0.242 0.000 0.811 570 P CB 0.547 32.106 31.700 -0.236 0.000 0.840 571 L N 4.500 125.541 121.223 -0.303 0.000 2.286 571 L HA 0.635 4.975 4.340 -0.000 0.000 0.265 571 L C 0.022 176.755 176.870 -0.229 0.000 1.012 571 L CA -0.552 54.246 54.840 -0.070 0.000 0.818 571 L CB 1.189 43.364 42.059 0.193 0.000 1.337 571 L HN 0.411 nan 8.230 nan 0.000 0.438 572 W N -0.140 121.234 121.300 0.123 0.000 2.950 572 W HA 0.523 5.183 4.660 -0.000 0.000 0.340 572 W C -0.469 175.989 176.519 -0.103 0.000 1.139 572 W CA -0.744 56.612 57.345 0.018 0.000 1.188 572 W CB 2.182 31.643 29.460 0.001 0.000 1.426 572 W HN 0.491 nan 8.180 nan 0.000 0.531 573 S N -0.083 115.606 115.700 -0.018 0.000 2.554 573 S HA 0.433 4.903 4.470 -0.000 0.000 0.278 573 S C 0.982 175.463 174.600 -0.197 0.000 1.242 573 S CA 0.045 58.041 58.200 -0.339 0.000 1.051 573 S CB 1.821 64.794 63.200 -0.378 0.000 0.986 573 S HN 0.660 nan 8.310 nan 0.000 0.502 574 G N 2.485 111.126 108.800 -0.265 0.000 2.586 574 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.218 574 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.218 574 G C 1.226 175.990 174.900 -0.228 0.000 1.216 574 G CA 1.061 46.004 45.100 -0.262 0.000 0.786 574 G HN 0.819 nan 8.290 nan 0.000 0.583 575 K N 0.213 120.488 120.400 -0.208 0.000 2.144 575 K HA -0.202 4.118 4.320 -0.000 0.000 0.209 575 K C 2.505 179.033 176.600 -0.119 0.000 1.047 575 K CA 1.495 57.686 56.287 -0.160 0.000 0.927 575 K CB -0.222 32.198 32.500 -0.133 0.000 0.716 575 K HN 0.474 nan 8.250 nan 0.000 0.454 576 Q N 0.588 120.332 119.800 -0.093 0.000 1.353 576 Q HA -0.183 4.157 4.340 -0.000 0.000 0.634 576 Q C 2.125 178.097 176.000 -0.048 0.000 0.941 576 Q CA 1.675 57.462 55.803 -0.027 0.000 0.895 576 Q CB -0.312 28.468 28.738 0.070 0.000 0.930 576 Q HN 0.350 nan 8.270 nan 0.000 0.338 577 I N 0.251 120.786 120.570 -0.059 0.000 2.285 577 I HA -0.310 3.860 4.170 -0.000 0.000 0.254 577 I C 2.197 178.244 176.117 -0.117 0.000 1.093 577 I CA 1.708 62.937 61.300 -0.118 0.000 1.368 577 I CB -1.709 36.173 38.000 -0.197 0.000 1.054 577 I HN 0.423 nan 8.210 nan 0.000 0.435 578 L N 1.615 122.758 121.223 -0.134 0.000 2.081 578 L HA -0.177 4.163 4.340 -0.000 0.000 0.212 578 L C 2.575 179.390 176.870 -0.092 0.000 1.080 578 L CA 2.243 57.004 54.840 -0.131 0.000 0.754 578 L CB -0.759 41.200 42.059 -0.166 0.000 0.893 578 L HN 0.235 nan 8.230 nan 0.000 0.433 579 S N -0.997 114.657 115.700 -0.076 0.000 2.440 579 S HA -0.164 4.306 4.470 -0.000 0.000 0.238 579 S C 1.899 176.487 174.600 -0.022 0.000 1.010 579 S CA 1.265 59.435 58.200 -0.050 0.000 0.972 579 S CB -0.497 62.682 63.200 -0.036 0.000 0.774 579 S HN 0.423 nan 8.310 nan 0.000 0.501 580 V N 1.739 121.643 119.914 -0.018 0.000 2.469 580 V HA -0.255 3.865 4.120 -0.000 0.000 0.251 580 V C 2.548 178.660 176.094 0.031 0.000 1.064 580 V CA 1.718 64.033 62.300 0.025 0.000 1.066 580 V CB -1.266 30.555 31.823 -0.004 0.000 0.667 580 V HN 0.564 nan 8.190 nan 0.000 0.461 581 A N -0.089 122.728 122.820 -0.005 0.000 1.897 581 A HA 0.056 4.376 4.320 -0.000 0.000 0.215 581 A C 1.243 178.822 177.584 -0.008 0.000 1.181 581 A CA 0.593 52.629 52.037 -0.002 0.000 0.620 581 A CB -0.451 18.534 19.000 -0.026 0.000 0.821 581 A HN 0.522 nan 8.150 nan 0.000 0.443 582 I N 2.711 123.266 120.570 -0.024 0.000 2.581 582 I HA 0.080 4.250 4.170 -0.000 0.000 0.285 582 I C -2.013 174.102 176.117 -0.004 0.000 1.129 582 I CA -1.466 59.818 61.300 -0.027 0.000 1.397 582 I CB 0.474 38.449 38.000 -0.042 0.000 1.399 582 I HN 0.209 nan 8.210 nan 0.000 0.537 583 P HA 0.058 nan 4.420 nan 0.000 0.275 583 P C -1.018 176.291 177.300 0.015 0.000 1.228 583 P CA -0.468 62.642 63.100 0.016 0.000 0.786 583 P CB 0.474 32.185 31.700 0.019 0.000 0.927 584 N N 1.109 119.821 118.700 0.020 0.000 2.454 584 N HA 0.160 4.899 4.740 -0.000 0.000 0.260 584 N C 1.518 177.041 175.510 0.022 0.000 1.218 584 N CA 1.107 54.168 53.050 0.018 0.000 0.904 584 N CB -0.136 38.362 38.487 0.017 0.000 1.065 584 N HN 0.836 nan 8.380 nan 0.000 0.462 585 G N 1.072 109.887 108.800 0.024 0.000 2.218 585 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 585 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 585 G C 0.084 175.021 174.900 0.061 0.000 0.994 585 G CA -0.518 44.605 45.100 0.038 0.000 0.637 585 G HN 0.531 nan 8.290 nan 0.000 0.505 586 I N 2.167 122.765 120.570 0.047 0.000 2.529 586 I HA 0.432 4.602 4.170 -0.000 0.000 0.284 586 I C 0.705 176.870 176.117 0.079 0.000 1.082 586 I CA -0.570 60.764 61.300 0.058 0.000 1.406 586 I CB 0.939 38.953 38.000 0.023 0.000 1.405 586 I HN 0.186 nan 8.210 nan 0.000 0.548 587 H N 6.353 125.423 119.070 -0.000 0.000 2.855 587 H HA 0.798 5.354 4.556 -0.000 0.000 0.363 587 H C -1.589 173.730 175.328 -0.015 0.000 1.185 587 H CA -0.888 55.158 56.048 -0.003 0.000 1.174 587 H CB 2.300 32.071 29.762 0.014 0.000 1.857 587 H HN 0.445 nan 8.280 nan 0.000 0.565 588 L N 1.872 123.262 121.223 0.278 0.000 2.781 588 L HA 0.233 4.573 4.340 -0.000 0.000 0.256 588 L C -1.863 175.069 176.870 0.104 0.000 0.930 588 L CA -0.123 54.813 54.840 0.159 0.000 0.967 588 L CB 1.655 43.720 42.059 0.011 0.000 1.551 588 L HN 0.699 nan 8.230 nan 0.000 0.445 589 Q N 3.655 123.532 119.800 0.129 0.000 2.372 589 Q HA 0.596 4.936 4.340 -0.000 0.000 0.273 589 Q C -0.605 175.489 176.000 0.156 0.000 1.078 589 Q CA -0.691 55.206 55.803 0.157 0.000 0.806 589 Q CB 3.370 32.273 28.738 0.275 0.000 1.332 589 Q HN 0.725 nan 8.270 nan 0.000 0.435 590 R N 1.274 121.889 120.500 0.191 0.000 2.096 590 R HA 0.379 4.719 4.340 -0.000 0.000 0.130 590 R C -0.947 175.621 176.300 0.447 0.000 1.990 590 R CA 0.102 56.314 56.100 0.185 0.000 1.660 590 R CB 0.804 31.105 30.300 0.002 0.000 1.387 590 R HN 0.562 nan 8.270 nan 0.000 0.482 591 F N 1.827 121.805 119.950 0.046 0.000 2.189 591 F HA -0.194 4.333 4.527 -0.000 0.000 0.505 591 F C 0.193 176.015 175.800 0.037 0.000 1.267 591 F CA 0.278 58.319 58.000 0.070 0.000 1.622 591 F CB -1.026 38.014 39.000 0.068 0.000 2.574 591 F HN 0.454 nan 8.300 nan 0.000 0.731 592 D N 1.860 122.338 120.400 0.129 0.000 2.041 592 D HA 0.004 4.644 4.640 -0.000 0.000 0.263 592 D C 1.461 177.817 176.300 0.092 0.000 1.038 592 D CA 1.269 55.318 54.000 0.083 0.000 0.903 592 D CB 0.233 41.057 40.800 0.039 0.000 1.013 592 D HN 0.692 nan 8.370 nan 0.000 0.408 593 E N -0.121 120.120 120.200 0.069 0.000 3.018 593 E HA 0.242 4.591 4.350 -0.000 0.000 0.293 593 E C 0.973 177.620 176.600 0.078 0.000 0.886 593 E CA -0.239 56.199 56.400 0.063 0.000 1.132 593 E CB -0.221 29.500 29.700 0.035 0.000 2.610 593 E HN 0.128 nan 8.360 nan 0.000 0.572 594 G N 2.148 110.978 108.800 0.050 0.000 2.843 594 G HA2 0.076 4.036 3.960 -0.000 0.000 0.275 594 G HA3 0.076 4.036 3.960 -0.000 0.000 0.275 594 G C -0.596 174.330 174.900 0.043 0.000 0.709 594 G CA 0.303 45.430 45.100 0.045 0.000 2.089 594 G HN 0.001 nan 8.290 nan 0.000 0.571 595 T N 0.531 115.142 114.554 0.095 0.000 2.807 595 T HA 0.602 4.952 4.350 -0.000 0.000 0.279 595 T C 0.323 175.114 174.700 0.151 0.000 0.993 595 T CA -0.467 61.661 62.100 0.047 0.000 0.970 595 T CB 1.790 70.655 68.868 -0.006 0.000 0.950 595 T HN 0.406 nan 8.240 nan 0.000 0.441 596 T N 0.339 114.894 114.554 0.001 0.000 4.205 596 T HA 0.305 4.655 4.350 -0.000 0.000 0.219 596 T C 0.302 174.968 174.700 -0.055 0.000 0.975 596 T CA -0.713 61.447 62.100 0.100 0.000 1.484 596 T CB -0.787 68.114 68.868 0.056 0.000 0.805 596 T HN 0.411 nan 8.240 nan 0.000 0.616 597 L N -0.037 121.084 121.223 -0.170 0.000 4.111 597 L HA -0.177 4.163 4.340 -0.000 0.000 0.428 597 L C 0.842 177.417 176.870 -0.491 0.000 1.149 597 L CA 1.281 55.923 54.840 -0.330 0.000 0.981 597 L CB -1.305 40.742 42.059 -0.022 0.000 1.914 597 L HN 0.775 nan 8.230 nan 0.000 1.016 598 L N -1.630 119.263 121.223 -0.549 0.000 4.496 598 L HA 0.083 4.422 4.340 -0.000 0.000 0.451 598 L C 0.635 177.307 176.870 -0.329 0.000 1.083 598 L CA 0.411 55.014 54.840 -0.395 0.000 1.633 598 L CB 0.386 42.323 42.059 -0.202 0.000 1.550 598 L HN 0.237 nan 8.230 nan 0.000 0.593 599 S N 1.188 116.648 115.700 -0.399 0.000 4.359 599 S HA -0.104 4.366 4.470 -0.000 0.000 0.523 599 S C -1.203 173.320 174.600 -0.128 0.000 0.950 599 S CA -0.188 57.884 58.200 -0.213 0.000 1.346 599 S CB -0.562 62.541 63.200 -0.162 0.000 0.952 599 S HN 0.332 nan 8.310 nan 0.000 0.516 600 P HA -0.193 nan 4.420 nan 0.000 0.210 600 P C 1.032 178.314 177.300 -0.029 0.000 1.185 600 P CA 1.357 64.427 63.100 -0.049 0.000 0.924 600 P CB 0.022 31.703 31.700 -0.033 0.000 0.786 601 K N -1.036 119.353 120.400 -0.018 0.000 2.520 601 K HA -0.161 4.159 4.320 -0.000 0.000 0.197 601 K C 0.499 177.099 176.600 0.000 0.000 1.044 601 K CA 1.024 57.308 56.287 -0.005 0.000 0.938 601 K CB -0.729 31.771 32.500 -0.001 0.000 0.767 601 K HN 0.129 nan 8.250 nan 0.000 0.481 602 D N -0.124 120.275 120.400 -0.003 0.000 2.947 602 D HA -0.148 4.492 4.640 -0.000 0.000 0.224 602 D C -0.273 176.052 176.300 0.042 0.000 1.132 602 D CA 0.362 54.378 54.000 0.026 0.000 0.801 602 D CB -1.276 39.536 40.800 0.020 0.000 1.097 602 D HN 0.182 nan 8.370 nan 0.000 0.431 603 N N -0.149 118.567 118.700 0.027 0.000 2.260 603 N HA 0.431 5.171 4.740 -0.000 0.000 0.270 603 N C 1.629 177.157 175.510 0.031 0.000 1.281 603 N CA 1.018 54.080 53.050 0.018 0.000 0.918 603 N CB -0.716 37.776 38.487 0.008 0.000 1.028 603 N HN 0.479 nan 8.380 nan 0.000 0.482 604 G N 0.059 108.850 108.800 -0.016 0.000 2.578 604 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.313 604 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.313 604 G C -0.185 174.617 174.900 -0.163 0.000 1.324 604 G CA 1.213 46.261 45.100 -0.087 0.000 0.955 604 G HN 0.800 nan 8.290 nan 0.000 0.541 605 M N -1.999 117.373 119.600 -0.379 0.000 2.564 605 M HA 0.609 5.089 4.480 -0.000 0.000 0.278 605 M C -2.286 173.617 176.300 -0.662 0.000 0.975 605 M CA -0.542 54.456 55.300 -0.504 0.000 0.850 605 M CB 1.295 33.745 32.600 -0.250 0.000 1.845 605 M HN 2.127 nan 8.290 nan 0.000 0.561 606 L N 5.880 126.601 121.223 -0.836 0.000 2.562 606 L HA 0.855 5.195 4.340 -0.000 0.000 0.266 606 L C -2.268 174.349 176.870 -0.422 0.000 0.949 606 L CA -0.186 54.286 54.840 -0.613 0.000 0.879 606 L CB 1.812 43.385 42.059 -0.810 0.000 1.278 606 L HN 0.792 nan 8.230 nan 0.000 0.404 607 I N 5.870 126.264 120.570 -0.294 0.000 2.465 607 I HA 0.540 4.710 4.170 -0.000 0.000 0.291 607 I C -0.692 175.231 176.117 -0.323 0.000 1.014 607 I CA -0.565 60.591 61.300 -0.240 0.000 1.093 607 I CB 2.041 39.945 38.000 -0.160 0.000 1.267 607 I HN 0.527 nan 8.210 nan 0.000 0.431 608 I N 4.463 124.880 120.570 -0.255 0.000 2.545 608 I HA 0.233 4.403 4.170 -0.000 0.000 0.292 608 I C 0.303 176.357 176.117 -0.106 0.000 1.040 608 I CA -0.296 60.844 61.300 -0.267 0.000 1.068 608 I CB 1.771 39.649 38.000 -0.202 0.000 1.251 608 I HN 0.725 nan 8.210 nan 0.000 0.424 609 D N 4.434 124.804 120.400 -0.050 0.000 3.068 609 D HA -0.231 4.409 4.640 -0.000 0.000 0.219 609 D C 0.867 177.162 176.300 -0.008 0.000 1.175 609 D CA 1.819 55.816 54.000 -0.005 0.000 0.942 609 D CB -0.597 40.206 40.800 0.005 0.000 1.127 609 D HN 1.223 nan 8.370 nan 0.000 0.404 610 G N -1.174 107.609 108.800 -0.028 0.000 2.164 610 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.212 610 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.212 610 G C -0.349 174.532 174.900 -0.030 0.000 1.031 610 G CA 0.271 45.356 45.100 -0.024 0.000 0.730 610 G HN 0.477 nan 8.290 nan 0.000 0.501 611 Q N -0.464 119.308 119.800 -0.047 0.000 2.347 611 Q HA 0.539 4.879 4.340 -0.000 0.000 0.271 611 Q C 0.281 176.237 176.000 -0.073 0.000 1.064 611 Q CA -0.739 55.039 55.803 -0.042 0.000 0.800 611 Q CB 2.161 30.887 28.738 -0.019 0.000 1.304 611 Q HN 0.417 nan 8.270 nan 0.000 0.438 612 I N 3.037 123.561 120.570 -0.076 0.000 2.496 612 I HA -0.004 4.166 4.170 -0.000 0.000 0.285 612 I C 1.069 177.141 176.117 -0.076 0.000 1.080 612 I CA -0.033 61.205 61.300 -0.104 0.000 1.404 612 I CB 0.607 38.542 38.000 -0.109 0.000 1.403 612 I HN 0.541 nan 8.210 nan 0.000 0.539 613 I N 6.639 127.151 120.570 -0.095 0.000 3.039 613 I HA 0.170 4.340 4.170 -0.000 0.000 0.270 613 I C 0.063 176.262 176.117 0.137 0.000 1.150 613 I CA 0.971 62.277 61.300 0.010 0.000 1.448 613 I CB 0.149 38.170 38.000 0.035 0.000 1.197 613 I HN 0.546 nan 8.210 nan 0.000 0.450 614 F N -0.463 119.432 119.950 -0.092 0.000 2.714 614 F HA 0.602 5.129 4.527 -0.000 0.000 0.313 614 F C -0.684 175.046 175.800 -0.116 0.000 1.104 614 F CA -0.744 57.195 58.000 -0.101 0.000 1.005 614 F CB 0.512 39.451 39.000 -0.102 0.000 1.268 614 F HN 0.047 nan 8.300 nan 0.000 0.449 615 G N 1.784 110.623 108.800 0.065 0.000 3.101 615 G HA2 0.384 4.344 3.960 -0.000 0.000 0.672 615 G HA3 0.384 4.344 3.960 -0.000 0.000 0.672 615 G C -1.623 173.231 174.900 -0.075 0.000 1.331 615 G CA -0.626 44.446 45.100 -0.046 0.000 0.925 615 G HN 1.337 nan 8.290 nan 0.000 0.596 616 V N 2.242 122.126 119.914 -0.050 0.000 2.485 616 V HA 0.286 4.406 4.120 -0.000 0.000 0.287 616 V C 1.286 177.330 176.094 -0.084 0.000 1.022 616 V CA -0.476 61.785 62.300 -0.065 0.000 1.067 616 V CB 1.254 33.050 31.823 -0.045 0.000 0.967 616 V HN 0.759 nan 8.190 nan 0.000 0.479 617 V N 6.289 126.142 119.914 -0.102 0.000 2.508 617 V HA 0.461 4.581 4.120 -0.000 0.000 0.281 617 V C 0.198 176.238 176.094 -0.089 0.000 1.041 617 V CA 0.108 62.345 62.300 -0.105 0.000 1.016 617 V CB 0.686 32.435 31.823 -0.123 0.000 0.984 617 V HN 1.213 nan 8.190 nan 0.000 0.478 618 E N 2.690 122.847 120.200 -0.073 0.000 2.377 618 E HA 0.374 4.724 4.350 -0.000 0.000 0.266 618 E C 0.573 177.148 176.600 -0.042 0.000 1.111 618 E CA -0.836 55.530 56.400 -0.058 0.000 0.889 618 E CB 0.635 30.306 29.700 -0.049 0.000 1.644 618 E HN 0.113 nan 8.360 nan 0.000 0.464 619 K N 0.549 120.932 120.400 -0.028 0.000 2.023 619 K HA -0.348 3.971 4.320 -0.000 0.000 0.227 619 K C 1.477 178.070 176.600 -0.012 0.000 1.054 619 K CA 2.762 59.041 56.287 -0.013 0.000 0.977 619 K CB -0.343 32.156 32.500 -0.002 0.000 0.733 619 K HN 0.456 nan 8.250 nan 0.000 0.451 620 K N -0.828 119.565 120.400 -0.012 0.000 2.293 620 K HA -0.152 4.168 4.320 -0.000 0.000 0.204 620 K C 1.760 178.349 176.600 -0.019 0.000 1.045 620 K CA 1.922 58.203 56.287 -0.010 0.000 0.933 620 K CB -0.055 32.438 32.500 -0.011 0.000 0.736 620 K HN 0.353 nan 8.250 nan 0.000 0.463 621 T N -1.025 113.509 114.554 -0.034 0.000 3.015 621 T HA 0.068 4.418 4.350 -0.000 0.000 0.250 621 T C 0.870 175.538 174.700 -0.053 0.000 1.057 621 T CA 0.219 62.290 62.100 -0.048 0.000 1.066 621 T CB 0.833 69.658 68.868 -0.072 0.000 0.959 621 T HN -0.033 nan 8.240 nan 0.000 0.488 622 V N 1.502 121.386 119.914 -0.050 0.000 3.047 622 V HA 0.575 4.694 4.120 -0.000 0.000 0.374 622 V C 0.360 176.431 176.094 -0.038 0.000 1.399 622 V CA -0.200 62.060 62.300 -0.067 0.000 1.251 622 V CB 0.139 31.905 31.823 -0.094 0.000 1.228 622 V HN 0.426 nan 8.190 nan 0.000 0.589 623 G N 0.178 108.974 108.800 -0.007 0.000 2.753 623 G HA2 0.433 4.393 3.960 -0.000 0.000 0.285 623 G HA3 0.433 4.393 3.960 -0.000 0.000 0.285 623 G C 0.409 175.335 174.900 0.044 0.000 1.344 623 G CA 0.233 45.348 45.100 0.025 0.000 1.050 623 G HN 0.607 nan 8.290 nan 0.000 0.532 624 S N -0.096 115.640 115.700 0.058 0.000 3.456 624 S HA 0.336 4.806 4.470 -0.000 0.000 0.229 624 S C 0.535 175.170 174.600 0.059 0.000 1.416 624 S CA -0.188 58.049 58.200 0.062 0.000 1.197 624 S CB -0.816 62.417 63.200 0.055 0.000 1.201 624 S HN 0.776 nan 8.310 nan 0.000 0.479 625 S N 0.776 116.512 115.700 0.061 0.000 2.565 625 S HA 0.421 4.891 4.470 -0.000 0.000 0.290 625 S C 1.017 175.680 174.600 0.105 0.000 1.150 625 S CA -0.969 57.270 58.200 0.065 0.000 1.058 625 S CB 0.850 64.073 63.200 0.038 0.000 1.032 625 S HN 0.283 nan 8.310 nan 0.000 0.510 626 N N 2.415 121.175 118.700 0.100 0.000 2.122 626 N HA -0.187 4.553 4.740 -0.000 0.000 0.190 626 N C 1.365 176.934 175.510 0.099 0.000 0.966 626 N CA 2.272 55.397 53.050 0.125 0.000 0.891 626 N CB -0.971 37.537 38.487 0.036 0.000 1.065 626 N HN 0.932 nan 8.380 nan 0.000 0.704 627 G N 0.281 109.080 108.800 -0.002 0.000 3.562 627 G HA2 0.405 4.365 3.960 -0.000 0.000 0.279 627 G HA3 0.405 4.365 3.960 -0.000 0.000 0.279 627 G C 0.508 175.402 174.900 -0.009 0.000 1.314 627 G CA 0.139 45.198 45.100 -0.069 0.000 1.189 627 G HN 0.459 nan 8.290 nan 0.000 0.562 628 G N -0.577 108.258 108.800 0.057 0.000 2.636 628 G HA2 0.244 4.204 3.960 -0.000 0.000 0.246 628 G HA3 0.244 4.204 3.960 -0.000 0.000 0.246 628 G C 1.096 176.019 174.900 0.037 0.000 1.216 628 G CA -0.598 44.529 45.100 0.044 0.000 0.854 628 G HN 0.282 nan 8.290 nan 0.000 0.572 629 L N 0.634 121.851 121.223 -0.009 0.000 2.012 629 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 629 L C 2.628 179.486 176.870 -0.020 0.000 1.073 629 L CA 0.995 55.818 54.840 -0.029 0.000 0.748 629 L CB -0.206 41.809 42.059 -0.072 0.000 0.891 629 L HN 0.450 nan 8.230 nan 0.000 0.431 630 I N -0.236 120.310 120.570 -0.040 0.000 2.069 630 I HA -0.375 3.795 4.170 -0.000 0.000 0.237 630 I C 2.581 178.735 176.117 0.062 0.000 1.053 630 I CA 1.669 62.943 61.300 -0.044 0.000 1.311 630 I CB -1.745 36.224 38.000 -0.051 0.000 1.030 630 I HN 0.470 nan 8.210 nan 0.000 0.398 631 H N 1.217 120.284 119.070 -0.005 0.000 2.362 631 H HA -0.162 4.394 4.556 -0.000 0.000 0.294 631 H C 2.088 177.419 175.328 0.005 0.000 1.113 631 H CA 2.183 58.234 56.048 0.006 0.000 1.253 631 H CB -0.271 29.495 29.762 0.006 0.000 1.363 631 H HN 0.146 nan 8.280 nan 0.000 0.494 632 V N -0.089 119.929 119.914 0.174 0.000 2.221 632 V HA -0.225 3.895 4.120 -0.000 0.000 0.240 632 V C 2.959 179.106 176.094 0.088 0.000 1.041 632 V CA 1.574 63.933 62.300 0.097 0.000 0.991 632 V CB -1.232 30.619 31.823 0.046 0.000 0.634 632 V HN 0.234 nan 8.190 nan 0.000 0.450 633 V N 0.657 120.603 119.914 0.054 0.000 2.357 633 V HA -0.376 3.744 4.120 -0.000 0.000 0.257 633 V C 2.555 178.683 176.094 0.057 0.000 1.082 633 V CA 2.808 65.133 62.300 0.041 0.000 1.078 633 V CB -1.535 30.294 31.823 0.010 0.000 0.663 633 V HN 0.709 nan 8.190 nan 0.000 0.455 634 T N -0.587 114.009 114.554 0.069 0.000 2.643 634 T HA -0.169 4.181 4.350 -0.000 0.000 0.264 634 T C 2.094 176.837 174.700 0.073 0.000 1.045 634 T CA 1.308 63.446 62.100 0.063 0.000 1.155 634 T CB -0.278 68.614 68.868 0.040 0.000 0.863 634 T HN 0.296 nan 8.240 nan 0.000 0.420 635 R N 0.681 121.245 120.500 0.107 0.000 2.115 635 R HA 0.020 4.360 4.340 -0.000 0.000 0.230 635 R C 2.402 178.754 176.300 0.085 0.000 1.111 635 R CA 1.169 57.336 56.100 0.111 0.000 0.976 635 R CB -0.351 30.038 30.300 0.149 0.000 0.870 635 R HN 0.425 nan 8.270 nan 0.000 0.445 636 E N 0.365 120.612 120.200 0.078 0.000 2.042 636 E HA -0.037 4.313 4.350 -0.000 0.000 0.189 636 E C 1.174 177.812 176.600 0.064 0.000 0.974 636 E CA 1.114 57.555 56.400 0.069 0.000 0.806 636 E CB 0.285 30.026 29.700 0.067 0.000 0.769 636 E HN -0.095 nan 8.360 nan 0.000 0.451 637 K N -0.553 119.882 120.400 0.057 0.000 2.358 637 K HA 0.339 4.659 4.320 -0.000 0.000 0.200 637 K C 0.251 176.880 176.600 0.048 0.000 1.030 637 K CA 0.595 56.912 56.287 0.051 0.000 1.097 637 K CB 1.353 33.880 32.500 0.044 0.000 0.862 637 K HN 0.233 nan 8.250 nan 0.000 0.534 638 G N 1.577 110.407 108.800 0.051 0.000 2.343 638 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.562 638 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.562 638 G C -2.694 172.233 174.900 0.045 0.000 1.269 638 G CA -0.364 44.763 45.100 0.046 0.000 1.011 638 G HN -0.141 nan 8.290 nan 0.000 0.498 639 P HA 0.134 nan 4.420 nan 0.000 0.242 639 P C 1.170 178.496 177.300 0.044 0.000 1.176 639 P CA 0.610 63.731 63.100 0.035 0.000 0.859 639 P CB 0.551 32.260 31.700 0.016 0.000 1.010 640 Q N 0.351 120.173 119.800 0.038 0.000 2.046 640 Q HA -0.038 4.302 4.340 -0.000 0.000 0.200 640 Q C 2.314 178.346 176.000 0.053 0.000 0.975 640 Q CA 1.300 57.126 55.803 0.039 0.000 0.836 640 Q CB -1.154 27.601 28.738 0.029 0.000 0.896 640 Q HN 0.120 nan 8.270 nan 0.000 0.428 641 V N 0.412 120.357 119.914 0.051 0.000 2.358 641 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 641 V C 2.572 178.707 176.094 0.069 0.000 1.047 641 V CA 1.657 63.989 62.300 0.053 0.000 1.035 641 V CB -0.908 30.941 31.823 0.042 0.000 0.658 641 V HN 0.474 nan 8.190 nan 0.000 0.452 642 C N 0.780 120.128 119.300 0.079 0.000 2.413 642 C HA -0.124 4.336 4.460 -0.000 0.000 0.276 642 C C 3.095 178.217 174.990 0.219 0.000 1.248 642 C CA 0.869 59.952 59.018 0.107 0.000 1.742 642 C CB -1.269 26.544 27.740 0.121 0.000 2.017 642 C HN 0.573 nan 8.230 nan 0.000 0.481 643 A N 0.159 123.098 122.820 0.200 0.000 1.883 643 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 643 A C 2.295 180.025 177.584 0.243 0.000 1.186 643 A CA 2.106 54.282 52.037 0.231 0.000 0.624 643 A CB -0.806 18.256 19.000 0.104 0.000 0.822 643 A HN 0.752 nan 8.150 nan 0.000 0.444 644 K N -1.034 119.454 120.400 0.147 0.000 2.103 644 K HA -0.172 4.148 4.320 -0.000 0.000 0.207 644 K C 1.860 178.535 176.600 0.126 0.000 1.048 644 K CA 1.381 57.739 56.287 0.117 0.000 0.930 644 K CB -0.366 32.179 32.500 0.075 0.000 0.716 644 K HN 0.380 nan 8.250 nan 0.000 0.444 645 L N 0.745 122.027 121.223 0.098 0.000 1.951 645 L HA -0.256 4.084 4.340 -0.000 0.000 0.222 645 L C 1.782 178.660 176.870 0.013 0.000 1.078 645 L CA 1.931 56.771 54.840 -0.000 0.000 0.778 645 L CB -0.827 41.156 42.059 -0.127 0.000 0.893 645 L HN 0.138 nan 8.230 nan 0.000 0.436 646 F N 0.082 120.045 119.950 0.022 0.000 2.063 646 F HA -0.339 4.188 4.527 -0.000 0.000 0.296 646 F C 2.416 178.236 175.800 0.033 0.000 1.093 646 F CA 1.912 59.927 58.000 0.025 0.000 1.229 646 F CB -1.713 37.305 39.000 0.030 0.000 0.971 646 F HN 0.311 nan 8.300 nan 0.000 0.491 647 G N 0.004 108.951 108.800 0.245 0.000 2.679 647 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.217 647 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.217 647 G C 1.520 176.492 174.900 0.121 0.000 1.267 647 G CA 1.458 46.654 45.100 0.160 0.000 0.799 647 G HN 0.332 nan 8.290 nan 0.000 0.606 648 N N 0.880 119.635 118.700 0.092 0.000 2.061 648 N HA -0.108 4.632 4.740 -0.000 0.000 0.193 648 N C 2.219 177.754 175.510 0.041 0.000 1.030 648 N CA 1.269 54.361 53.050 0.070 0.000 0.856 648 N CB -0.543 37.974 38.487 0.050 0.000 1.023 648 N HN 0.443 nan 8.380 nan 0.000 0.424 649 I N 1.160 121.736 120.570 0.009 0.000 2.208 649 I HA -0.302 3.868 4.170 -0.000 0.000 0.245 649 I C 2.126 178.246 176.117 0.005 0.000 1.097 649 I CA 1.303 62.589 61.300 -0.023 0.000 1.363 649 I CB -0.271 37.686 38.000 -0.072 0.000 1.051 649 I HN 0.211 nan 8.210 nan 0.000 0.413 650 Q N 0.326 120.154 119.800 0.047 0.000 2.291 650 Q HA -0.179 4.161 4.340 -0.000 0.000 0.205 650 Q C 2.046 178.068 176.000 0.038 0.000 0.970 650 Q CA 1.077 56.915 55.803 0.059 0.000 0.876 650 Q CB 0.038 28.839 28.738 0.105 0.000 0.935 650 Q HN 0.502 nan 8.270 nan 0.000 0.455 651 K N -0.414 120.019 120.400 0.056 0.000 2.137 651 K HA -0.017 4.303 4.320 -0.000 0.000 0.202 651 K C 1.980 178.529 176.600 -0.084 0.000 1.052 651 K CA 0.695 57.004 56.287 0.038 0.000 0.961 651 K CB 0.243 32.900 32.500 0.262 0.000 0.741 651 K HN -0.049 nan 8.250 nan 0.000 0.452 652 V N 1.000 120.907 119.914 -0.011 0.000 2.232 652 V HA -0.223 3.897 4.120 -0.000 0.000 0.239 652 V C 2.219 178.331 176.094 0.030 0.000 1.040 652 V CA 1.482 63.772 62.300 -0.016 0.000 0.996 652 V CB -0.535 31.271 31.823 -0.029 0.000 0.638 652 V HN 0.011 nan 8.190 nan 0.000 0.453 653 V N 1.077 120.992 119.914 0.002 0.000 2.252 653 V HA -0.369 3.751 4.120 -0.000 0.000 0.255 653 V C 2.360 178.518 176.094 0.107 0.000 1.071 653 V CA 2.571 64.890 62.300 0.032 0.000 1.050 653 V CB -1.084 30.724 31.823 -0.025 0.000 0.654 653 V HN 0.580 nan 8.190 nan 0.000 0.448 654 N N -0.505 118.213 118.700 0.030 0.000 2.084 654 N HA -0.181 4.558 4.740 -0.000 0.000 0.190 654 N C 1.746 177.214 175.510 -0.070 0.000 1.030 654 N CA 1.960 55.007 53.050 -0.004 0.000 0.849 654 N CB -0.489 37.979 38.487 -0.032 0.000 1.012 654 N HN 0.608 nan 8.380 nan 0.000 0.423 655 F N 0.178 119.938 119.950 -0.316 0.000 2.134 655 F HA -0.168 4.358 4.527 -0.000 0.000 0.299 655 F C 2.376 178.015 175.800 -0.269 0.000 1.097 655 F CA 1.314 59.036 58.000 -0.463 0.000 1.264 655 F CB -0.492 37.931 39.000 -0.960 0.000 1.001 655 F HN 0.130 nan 8.300 nan 0.000 0.479 656 W N 0.721 121.841 121.300 -0.301 0.000 2.381 656 W HA -0.178 4.481 4.660 -0.000 0.000 0.301 656 W C 2.046 178.418 176.519 -0.245 0.000 1.205 656 W CA 1.650 58.820 57.345 -0.292 0.000 1.285 656 W CB -0.500 28.899 29.460 -0.101 0.000 1.133 656 W HN 0.157 nan 8.180 nan 0.000 0.521 657 L N 0.981 122.246 121.223 0.070 0.000 2.083 657 L HA -0.126 4.213 4.340 -0.000 0.000 0.209 657 L C 2.331 179.053 176.870 -0.246 0.000 1.083 657 L CA 1.909 56.692 54.840 -0.095 0.000 0.752 657 L CB -1.422 40.717 42.059 0.133 0.000 0.899 657 L HN 0.204 nan 8.230 nan 0.000 0.433 658 L N -1.030 120.060 121.223 -0.222 0.000 2.129 658 L HA -0.269 4.071 4.340 -0.000 0.000 0.212 658 L C 2.088 178.875 176.870 -0.139 0.000 1.087 658 L CA 1.963 56.705 54.840 -0.164 0.000 0.757 658 L CB -0.561 41.392 42.059 -0.176 0.000 0.896 658 L HN 0.443 nan 8.230 nan 0.000 0.434 659 H N -2.451 116.298 119.070 -0.535 0.000 2.439 659 H HA 0.125 4.681 4.556 -0.000 0.000 0.299 659 H C 1.993 177.051 175.328 -0.449 0.000 1.033 659 H CA 1.032 56.801 56.048 -0.465 0.000 1.348 659 H CB -0.325 29.133 29.762 -0.507 0.000 1.449 659 H HN 0.345 nan 8.280 nan 0.000 0.544 660 N N 0.703 119.075 118.700 -0.548 0.000 2.381 660 N HA -0.044 4.696 4.740 -0.000 0.000 0.182 660 N C 0.590 175.942 175.510 -0.264 0.000 1.025 660 N CA 0.886 53.607 53.050 -0.548 0.000 0.888 660 N CB 0.177 37.975 38.487 -1.149 0.000 0.965 660 N HN 0.479 nan 8.380 nan 0.000 0.438 661 G N -0.882 107.795 108.800 -0.205 0.000 2.916 661 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.533 661 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.533 661 G C -0.699 174.262 174.900 0.103 0.000 1.516 661 G CA 0.074 45.136 45.100 -0.063 0.000 0.944 661 G HN 0.449 nan 8.290 nan 0.000 0.555 662 F N -0.065 119.846 119.950 -0.064 0.000 2.746 662 F HA 0.670 5.197 4.527 -0.000 0.000 0.311 662 F C -0.179 175.609 175.800 -0.020 0.000 1.135 662 F CA 0.587 58.571 58.000 -0.026 0.000 0.954 662 F CB 1.315 40.316 39.000 0.001 0.000 1.276 662 F HN 1.807 nan 8.300 nan 0.000 0.440 663 S N 1.883 116.828 115.700 -1.258 0.000 2.660 663 S HA 0.855 5.325 4.470 -0.000 0.000 0.264 663 S C -1.848 172.320 174.600 -0.720 0.000 1.131 663 S CA 0.064 57.811 58.200 -0.756 0.000 0.846 663 S CB 1.418 64.412 63.200 -0.344 0.000 1.151 663 S HN 1.017 nan 8.310 nan 0.000 0.486 664 T N 0.258 114.600 114.554 -0.353 0.000 2.821 664 T HA 0.851 5.201 4.350 -0.000 0.000 0.306 664 T C -0.176 174.450 174.700 -0.123 0.000 1.313 664 T CA -0.162 61.809 62.100 -0.216 0.000 1.012 664 T CB 1.314 70.096 68.868 -0.143 0.000 1.298 664 T HN 1.525 nan 8.240 nan 0.000 0.502 665 G N -0.109 108.643 108.800 -0.080 0.000 2.495 665 G HA2 0.474 4.434 3.960 -0.000 0.000 0.294 665 G HA3 0.474 4.434 3.960 -0.000 0.000 0.294 665 G C 0.405 175.287 174.900 -0.030 0.000 1.397 665 G CA -0.402 44.667 45.100 -0.052 0.000 0.790 665 G HN 0.689 nan 8.290 nan 0.000 0.486 666 I N 0.109 120.667 120.570 -0.021 0.000 2.143 666 I HA -0.080 4.090 4.170 -0.000 0.000 0.245 666 I C 2.716 178.831 176.117 -0.004 0.000 1.068 666 I CA 2.149 63.444 61.300 -0.008 0.000 1.326 666 I CB -1.360 36.637 38.000 -0.005 0.000 1.028 666 I HN 0.661 nan 8.210 nan 0.000 0.412 667 G N 0.169 108.963 108.800 -0.010 0.000 2.568 667 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.220 667 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.220 667 G C 1.221 176.123 174.900 0.003 0.000 1.104 667 G CA 1.184 46.282 45.100 -0.004 0.000 0.738 667 G HN 0.534 nan 8.290 nan 0.000 0.574 668 D N -0.503 119.898 120.400 0.002 0.000 2.360 668 D HA -0.008 4.632 4.640 -0.000 0.000 0.210 668 D C 2.140 178.456 176.300 0.026 0.000 1.047 668 D CA 1.134 55.143 54.000 0.015 0.000 0.854 668 D CB 0.286 41.093 40.800 0.010 0.000 0.936 668 D HN 0.477 nan 8.370 nan 0.000 0.514 669 T N -1.363 113.204 114.554 0.022 0.000 3.092 669 T HA 0.185 4.535 4.350 -0.000 0.000 0.258 669 T C 0.731 175.449 174.700 0.030 0.000 1.031 669 T CA -0.326 61.792 62.100 0.030 0.000 0.925 669 T CB 0.331 69.216 68.868 0.029 0.000 1.036 669 T HN -0.139 nan 8.240 nan 0.000 0.544 670 I N 2.542 123.128 120.570 0.025 0.000 2.306 670 I HA 0.619 4.789 4.170 -0.000 0.000 0.288 670 I C 0.379 176.513 176.117 0.027 0.000 1.036 670 I CA -1.771 59.543 61.300 0.024 0.000 1.221 670 I CB -0.241 37.769 38.000 0.017 0.000 1.385 670 I HN 0.172 nan 8.210 nan 0.000 0.472 671 A N 4.632 127.470 122.820 0.030 0.000 2.301 671 A HA 0.301 4.621 4.320 -0.000 0.000 0.298 671 A C 0.151 177.752 177.584 0.028 0.000 1.185 671 A CA -0.533 51.524 52.037 0.033 0.000 0.830 671 A CB 0.248 19.271 19.000 0.039 0.000 1.112 671 A HN 0.748 nan 8.150 nan 0.000 0.508 672 D N 2.459 122.876 120.400 0.028 0.000 2.836 672 D HA 0.061 4.701 4.640 -0.000 0.000 0.220 672 D C 1.623 177.936 176.300 0.022 0.000 1.094 672 D CA 1.632 55.646 54.000 0.024 0.000 0.820 672 D CB 0.570 41.385 40.800 0.024 0.000 1.171 672 D HN 0.594 nan 8.370 nan 0.000 0.507 673 G N 4.697 113.509 108.800 0.019 0.000 2.681 673 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.220 673 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.220 673 G C -0.570 174.341 174.900 0.019 0.000 1.210 673 G CA 1.114 46.225 45.100 0.018 0.000 0.783 673 G HN 0.668 nan 8.290 nan 0.000 0.609 674 P HA -0.096 nan 4.420 nan 0.000 0.215 674 P C 1.811 179.124 177.300 0.022 0.000 1.153 674 P CA 2.132 65.243 63.100 0.019 0.000 0.853 674 P CB -0.490 31.220 31.700 0.017 0.000 0.788 675 T N 0.218 114.787 114.554 0.024 0.000 2.699 675 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 675 T C 2.034 176.752 174.700 0.031 0.000 1.036 675 T CA 1.441 63.559 62.100 0.029 0.000 1.147 675 T CB -0.615 68.272 68.868 0.032 0.000 0.862 675 T HN 0.001 nan 8.240 nan 0.000 0.446 676 M N 0.666 120.283 119.600 0.029 0.000 2.065 676 M HA -0.075 4.405 4.480 -0.000 0.000 0.259 676 M C 2.508 178.825 176.300 0.028 0.000 1.071 676 M CA 1.543 56.860 55.300 0.029 0.000 1.109 676 M CB -0.837 31.777 32.600 0.024 0.000 1.313 676 M HN 0.172 nan 8.290 nan 0.000 0.408 677 R N 0.192 120.706 120.500 0.024 0.000 2.103 677 R HA -0.225 4.115 4.340 -0.000 0.000 0.242 677 R C 1.984 178.299 176.300 0.025 0.000 1.142 677 R CA 2.067 58.181 56.100 0.023 0.000 0.960 677 R CB -0.329 29.983 30.300 0.020 0.000 0.858 677 R HN 0.482 nan 8.270 nan 0.000 0.439 678 E N 0.011 120.227 120.200 0.026 0.000 2.204 678 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 678 E C 1.609 178.228 176.600 0.033 0.000 0.990 678 E CA 0.994 57.410 56.400 0.027 0.000 0.821 678 E CB 0.140 29.856 29.700 0.027 0.000 0.750 678 E HN 0.291 nan 8.360 nan 0.000 0.477 679 I N 0.723 121.315 120.570 0.037 0.000 2.296 679 I HA -0.146 4.024 4.170 -0.000 0.000 0.242 679 I C 2.335 178.480 176.117 0.047 0.000 1.087 679 I CA 1.083 62.411 61.300 0.046 0.000 1.393 679 I CB -1.653 36.376 38.000 0.048 0.000 1.093 679 I HN 0.092 nan 8.210 nan 0.000 0.421 680 T N 2.010 116.589 114.554 0.042 0.000 2.721 680 T HA -0.232 4.118 4.350 -0.000 0.000 0.268 680 T C 1.561 176.286 174.700 0.041 0.000 1.038 680 T CA 2.005 64.131 62.100 0.044 0.000 1.145 680 T CB -0.415 68.475 68.868 0.035 0.000 0.858 680 T HN 0.629 nan 8.240 nan 0.000 0.459 681 E N 0.314 120.533 120.200 0.032 0.000 2.318 681 E HA 0.007 4.357 4.350 -0.000 0.000 0.193 681 E C 1.771 178.383 176.600 0.020 0.000 0.998 681 E CA 0.735 57.150 56.400 0.023 0.000 0.859 681 E CB -0.435 29.276 29.700 0.018 0.000 0.812 681 E HN 0.268 nan 8.360 nan 0.000 0.492 682 T N 1.152 115.724 114.554 0.029 0.000 3.035 682 T HA 0.021 4.370 4.350 -0.000 0.000 0.268 682 T C 1.614 176.333 174.700 0.031 0.000 1.109 682 T CA 0.473 62.590 62.100 0.027 0.000 1.119 682 T CB 0.040 68.932 68.868 0.040 0.000 0.900 682 T HN 0.164 nan 8.240 nan 0.000 0.503 683 I N 1.246 121.844 120.570 0.047 0.000 2.429 683 I HA 0.138 4.308 4.170 -0.000 0.000 0.247 683 I C 2.856 178.983 176.117 0.017 0.000 1.099 683 I CA 0.598 61.935 61.300 0.063 0.000 1.422 683 I CB -1.599 36.474 38.000 0.121 0.000 1.112 683 I HN 0.145 nan 8.210 nan 0.000 0.430 684 A N 1.605 124.437 122.820 0.020 0.000 1.933 684 A HA -0.219 4.100 4.320 -0.000 0.000 0.218 684 A C 2.173 179.744 177.584 -0.022 0.000 1.175 684 A CA 1.859 53.898 52.037 0.003 0.000 0.628 684 A CB -0.737 18.271 19.000 0.013 0.000 0.814 684 A HN 0.661 nan 8.150 nan 0.000 0.444 685 E N -0.307 119.877 120.200 -0.026 0.000 2.208 685 E HA 0.074 4.423 4.350 -0.000 0.000 0.193 685 E C 1.811 178.358 176.600 -0.089 0.000 0.988 685 E CA 0.944 57.315 56.400 -0.049 0.000 0.828 685 E CB -0.326 29.350 29.700 -0.040 0.000 0.763 685 E HN 0.456 nan 8.360 nan 0.000 0.478 686 A N 1.465 124.233 122.820 -0.086 0.000 2.021 686 A HA -0.010 4.310 4.320 -0.000 0.000 0.216 686 A C 2.023 179.527 177.584 -0.134 0.000 1.163 686 A CA 0.779 52.737 52.037 -0.132 0.000 0.676 686 A CB -0.150 18.796 19.000 -0.089 0.000 0.818 686 A HN 0.084 nan 8.150 nan 0.000 0.453 687 K N 0.158 120.497 120.400 -0.102 0.000 2.057 687 K HA -0.092 4.228 4.320 -0.000 0.000 0.206 687 K C 1.826 178.391 176.600 -0.058 0.000 1.050 687 K CA 1.427 57.660 56.287 -0.090 0.000 0.935 687 K CB -0.128 32.340 32.500 -0.053 0.000 0.715 687 K HN 0.365 nan 8.250 nan 0.000 0.439 688 K N 0.838 121.203 120.400 -0.058 0.000 2.217 688 K HA -0.108 4.212 4.320 -0.000 0.000 0.202 688 K C 1.930 178.492 176.600 -0.065 0.000 1.051 688 K CA 0.804 57.063 56.287 -0.046 0.000 0.952 688 K CB 0.053 32.527 32.500 -0.043 0.000 0.736 688 K HN 0.028 nan 8.250 nan 0.000 0.453 689 K N 0.890 121.210 120.400 -0.134 0.000 2.362 689 K HA -0.069 4.251 4.320 -0.000 0.000 0.200 689 K C 1.651 178.205 176.600 -0.076 0.000 1.046 689 K CA 0.479 56.623 56.287 -0.239 0.000 0.952 689 K CB 0.306 32.469 32.500 -0.563 0.000 0.753 689 K HN -0.068 nan 8.250 nan 0.000 0.466 690 V N 0.602 120.526 119.914 0.017 0.000 2.341 690 V HA -0.174 3.946 4.120 -0.000 0.000 0.240 690 V C 1.986 178.172 176.094 0.153 0.000 1.035 690 V CA 0.960 63.355 62.300 0.157 0.000 1.033 690 V CB -0.387 31.495 31.823 0.099 0.000 0.678 690 V HN 0.254 nan 8.190 nan 0.000 0.464 691 L N 0.735 122.006 121.223 0.079 0.000 2.079 691 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 691 L C 1.949 178.845 176.870 0.043 0.000 1.081 691 L CA 2.174 57.050 54.840 0.060 0.000 0.752 691 L CB -0.824 41.252 42.059 0.030 0.000 0.896 691 L HN 0.326 nan 8.230 nan 0.000 0.433 692 D N -1.058 119.363 120.400 0.035 0.000 2.104 692 D HA -0.184 4.456 4.640 -0.000 0.000 0.194 692 D C 2.168 178.495 176.300 0.045 0.000 0.994 692 D CA 1.793 55.809 54.000 0.026 0.000 0.830 692 D CB -0.136 40.672 40.800 0.013 0.000 0.959 692 D HN 0.254 nan 8.370 nan 0.000 0.452 693 V N 0.221 120.197 119.914 0.103 0.000 3.041 693 V HA -0.128 3.992 4.120 -0.000 0.000 0.260 693 V C 2.179 178.292 176.094 0.033 0.000 1.105 693 V CA 1.459 63.837 62.300 0.129 0.000 1.125 693 V CB -0.527 31.469 31.823 0.289 0.000 0.730 693 V HN 0.227 nan 8.190 nan 0.000 0.479 694 T N 0.096 114.668 114.554 0.031 0.000 2.639 694 T HA -0.181 4.169 4.350 -0.000 0.000 0.261 694 T C 1.950 176.539 174.700 -0.186 0.000 1.053 694 T CA 1.431 63.458 62.100 -0.122 0.000 1.158 694 T CB -0.196 68.685 68.868 0.021 0.000 0.863 694 T HN 0.415 nan 8.240 nan 0.000 0.413 695 K N 0.944 121.291 120.400 -0.088 0.000 2.097 695 K HA -0.115 4.205 4.320 -0.000 0.000 0.206 695 K C 2.384 178.929 176.600 -0.092 0.000 1.049 695 K CA 1.179 57.415 56.287 -0.085 0.000 0.933 695 K CB -0.132 32.342 32.500 -0.044 0.000 0.717 695 K HN 0.464 nan 8.250 nan 0.000 0.442 696 E N 0.451 120.608 120.200 -0.071 0.000 2.333 696 E HA -0.176 4.174 4.350 -0.000 0.000 0.198 696 E C 1.439 177.981 176.600 -0.097 0.000 1.007 696 E CA 0.915 57.281 56.400 -0.056 0.000 0.845 696 E CB 0.090 29.781 29.700 -0.015 0.000 0.766 696 E HN 0.344 nan 8.360 nan 0.000 0.507 697 A N 0.137 122.848 122.820 -0.182 0.000 2.115 697 A HA 0.051 4.371 4.320 -0.000 0.000 0.211 697 A C 1.741 179.182 177.584 -0.238 0.000 1.169 697 A CA 0.019 51.904 52.037 -0.253 0.000 0.787 697 A CB 0.139 18.833 19.000 -0.509 0.000 0.858 697 A HN 0.206 nan 8.150 nan 0.000 0.474 698 Q N -0.559 119.109 119.800 -0.219 0.000 2.444 698 Q HA 0.213 4.553 4.340 -0.000 0.000 0.206 698 Q C 1.375 177.308 176.000 -0.112 0.000 0.948 698 Q CA 0.562 56.260 55.803 -0.175 0.000 0.946 698 Q CB 0.053 28.697 28.738 -0.157 0.000 1.027 698 Q HN 0.621 nan 8.270 nan 0.000 0.513 699 A N 0.677 123.439 122.820 -0.097 0.000 2.431 699 A HA 0.086 4.406 4.320 -0.000 0.000 0.239 699 A C 0.610 178.162 177.584 -0.054 0.000 1.230 699 A CA 0.019 52.018 52.037 -0.064 0.000 0.928 699 A CB 0.222 19.192 19.000 -0.050 0.000 1.006 699 A HN 0.391 nan 8.150 nan 0.000 0.520 700 N N -0.920 117.741 118.700 -0.066 0.000 2.747 700 N HA -0.145 4.595 4.740 -0.000 0.000 0.249 700 N C 0.139 175.629 175.510 -0.033 0.000 1.107 700 N CA 1.143 54.164 53.050 -0.049 0.000 0.707 700 N CB -1.919 36.545 38.487 -0.038 0.000 1.054 700 N HN 0.483 nan 8.380 nan 0.000 0.555 701 L N -1.115 120.088 121.223 -0.033 0.000 2.728 701 L HA 0.313 4.653 4.340 -0.000 0.000 0.238 701 L C 0.680 177.544 176.870 -0.011 0.000 1.143 701 L CA -0.195 54.634 54.840 -0.018 0.000 0.937 701 L CB 0.171 42.221 42.059 -0.016 0.000 1.225 701 L HN 0.159 nan 8.230 nan 0.000 0.507 702 L N 1.114 122.327 121.223 -0.016 0.000 2.264 702 L HA 0.288 4.628 4.340 -0.000 0.000 0.289 702 L C 0.197 177.073 176.870 0.010 0.000 1.044 702 L CA -0.170 54.669 54.840 -0.001 0.000 0.807 702 L CB 1.651 43.706 42.059 -0.008 0.000 1.192 702 L HN 0.065 nan 8.230 nan 0.000 0.425 703 T N 3.431 117.997 114.554 0.019 0.000 2.908 703 T HA 0.097 4.447 4.350 -0.000 0.000 0.301 703 T C 0.428 175.146 174.700 0.030 0.000 1.019 703 T CA -0.363 61.751 62.100 0.023 0.000 1.152 703 T CB 0.690 69.575 68.868 0.027 0.000 0.966 703 T HN 0.664 nan 8.240 nan 0.000 0.540 704 A N 4.956 127.794 122.820 0.030 0.000 2.437 704 A HA 0.288 4.608 4.320 -0.000 0.000 0.303 704 A C 0.641 178.255 177.584 0.050 0.000 1.324 704 A CA -0.608 51.450 52.037 0.035 0.000 0.983 704 A CB -0.120 18.898 19.000 0.030 0.000 1.142 704 A HN 0.801 nan 8.150 nan 0.000 0.541 705 K N 1.418 121.848 120.400 0.051 0.000 2.397 705 K HA 0.044 4.364 4.320 -0.000 0.000 0.265 705 K C 0.037 176.690 176.600 0.088 0.000 0.982 705 K CA 0.010 56.337 56.287 0.068 0.000 0.931 705 K CB 0.308 32.840 32.500 0.053 0.000 0.943 705 K HN 0.828 nan 8.250 nan 0.000 0.501 706 H N -0.394 118.682 119.070 0.011 0.000 2.652 706 H HA 0.194 4.750 4.556 -0.000 0.000 0.349 706 H C 0.897 176.231 175.328 0.011 0.000 1.099 706 H CA 1.309 57.361 56.048 0.006 0.000 1.417 706 H CB 0.791 30.552 29.762 -0.001 0.000 1.457 706 H HN 0.759 nan 8.280 nan 0.000 0.568 707 G N 3.622 112.037 108.800 -0.640 0.000 2.221 707 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.265 707 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.265 707 G C -0.217 174.589 174.900 -0.157 0.000 1.041 707 G CA 0.597 45.461 45.100 -0.394 0.000 0.807 707 G HN 0.624 nan 8.290 nan 0.000 0.502 708 M N -1.168 118.363 119.600 -0.114 0.000 2.643 708 M HA 0.319 4.799 4.480 -0.000 0.000 0.276 708 M C -0.070 176.216 176.300 -0.024 0.000 1.200 708 M CA -0.741 54.531 55.300 -0.046 0.000 0.863 708 M CB 1.808 34.398 32.600 -0.017 0.000 1.711 708 M HN 0.047 nan 8.290 nan 0.000 0.492 709 T N 0.998 115.550 114.554 -0.002 0.000 2.874 709 T HA 0.326 4.676 4.350 -0.000 0.000 0.281 709 T C 1.150 175.869 174.700 0.033 0.000 0.994 709 T CA -0.540 61.569 62.100 0.014 0.000 1.015 709 T CB 0.695 69.578 68.868 0.025 0.000 1.028 709 T HN 0.427 nan 8.240 nan 0.000 0.523 710 L N 0.756 122.001 121.223 0.037 0.000 2.191 710 L HA 0.058 4.398 4.340 -0.000 0.000 0.212 710 L C 2.524 179.449 176.870 0.091 0.000 1.103 710 L CA 1.514 56.383 54.840 0.048 0.000 0.769 710 L CB -0.827 41.246 42.059 0.025 0.000 0.908 710 L HN 0.490 nan 8.230 nan 0.000 0.438 711 R N 0.051 120.610 120.500 0.099 0.000 2.060 711 R HA -0.084 4.256 4.340 -0.000 0.000 0.225 711 R C 2.262 178.652 176.300 0.151 0.000 1.155 711 R CA 1.210 57.410 56.100 0.166 0.000 0.930 711 R CB -0.234 30.149 30.300 0.139 0.000 0.829 711 R HN 0.326 nan 8.270 nan 0.000 0.433 712 E N -0.142 120.104 120.200 0.077 0.000 2.169 712 E HA -0.255 4.095 4.350 -0.000 0.000 0.202 712 E C 1.962 178.576 176.600 0.022 0.000 1.016 712 E CA 1.773 58.191 56.400 0.030 0.000 0.817 712 E CB -0.085 29.622 29.700 0.012 0.000 0.736 712 E HN 0.261 nan 8.360 nan 0.000 0.462 713 S N 0.400 116.132 115.700 0.055 0.000 2.368 713 S HA -0.132 4.338 4.470 -0.000 0.000 0.224 713 S C 1.541 176.193 174.600 0.088 0.000 1.029 713 S CA 0.867 59.098 58.200 0.052 0.000 0.988 713 S CB -0.311 62.925 63.200 0.061 0.000 0.838 713 S HN 0.313 nan 8.310 nan 0.000 0.462 714 F N 3.215 123.158 119.950 -0.012 0.000 2.046 714 F HA -0.133 4.394 4.527 -0.000 0.000 0.297 714 F C 2.193 177.984 175.800 -0.014 0.000 1.123 714 F CA 1.561 59.557 58.000 -0.008 0.000 1.199 714 F CB -0.919 38.089 39.000 0.012 0.000 0.972 714 F HN 0.060 nan 8.300 nan 0.000 0.474 715 E N 0.563 120.487 120.200 -0.461 0.000 2.026 715 E HA -0.325 4.024 4.350 -0.000 0.000 0.206 715 E C 2.129 178.518 176.600 -0.351 0.000 1.028 715 E CA 1.662 57.725 56.400 -0.563 0.000 0.845 715 E CB -1.249 28.282 29.700 -0.282 0.000 0.772 715 E HN 0.532 nan 8.360 nan 0.000 0.462 716 D N 0.607 120.888 120.400 -0.199 0.000 2.565 716 D HA -0.243 4.397 4.640 -0.000 0.000 0.189 716 D C 1.439 177.610 176.300 -0.215 0.000 1.052 716 D CA 1.531 55.438 54.000 -0.155 0.000 0.889 716 D CB -0.103 40.640 40.800 -0.095 0.000 0.911 716 D HN 0.151 nan 8.370 nan 0.000 0.464 717 N N -0.283 118.254 118.700 -0.271 0.000 2.290 717 N HA -0.082 4.658 4.740 -0.000 0.000 0.179 717 N C 2.165 177.360 175.510 -0.524 0.000 1.016 717 N CA 0.610 53.375 53.050 -0.475 0.000 0.871 717 N CB -0.232 37.961 38.487 -0.490 0.000 0.987 717 N HN 0.186 nan 8.380 nan 0.000 0.431 718 V N 1.700 121.422 119.914 -0.321 0.000 2.219 718 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 718 V C 2.580 178.609 176.094 -0.108 0.000 1.053 718 V CA 1.536 63.741 62.300 -0.159 0.000 1.009 718 V CB -0.997 30.633 31.823 -0.321 0.000 0.636 718 V HN -0.005 nan 8.190 nan 0.000 0.445 719 V N 0.017 119.838 119.914 -0.155 0.000 2.220 719 V HA -0.414 3.706 4.120 -0.000 0.000 0.250 719 V C 2.605 178.681 176.094 -0.031 0.000 1.053 719 V CA 2.869 65.121 62.300 -0.079 0.000 1.019 719 V CB -0.845 30.921 31.823 -0.094 0.000 0.646 719 V HN 0.509 nan 8.190 nan 0.000 0.455 720 R N -1.001 119.447 120.500 -0.087 0.000 2.165 720 R HA -0.244 4.096 4.340 -0.000 0.000 0.254 720 R C 2.315 178.664 176.300 0.082 0.000 1.153 720 R CA 2.488 58.559 56.100 -0.048 0.000 0.971 720 R CB -0.478 29.730 30.300 -0.154 0.000 0.878 720 R HN 0.597 nan 8.270 nan 0.000 0.449 721 F N 0.214 120.155 119.950 -0.014 0.000 2.134 721 F HA -0.239 4.287 4.527 -0.000 0.000 0.299 721 F C 2.298 178.082 175.800 -0.028 0.000 1.097 721 F CA 0.626 58.615 58.000 -0.017 0.000 1.264 721 F CB -0.083 38.900 39.000 -0.029 0.000 1.001 721 F HN 0.061 nan 8.300 nan 0.000 0.479 722 L N -0.291 121.020 121.223 0.146 0.000 2.023 722 L HA -0.231 4.109 4.340 -0.000 0.000 0.205 722 L C 2.168 179.140 176.870 0.170 0.000 1.073 722 L CA 0.980 55.849 54.840 0.049 0.000 0.745 722 L CB -0.833 41.189 42.059 -0.062 0.000 0.900 722 L HN 0.055 nan 8.230 nan 0.000 0.435 723 N N 0.177 118.975 118.700 0.163 0.000 2.036 723 N HA -0.270 4.469 4.740 -0.000 0.000 0.195 723 N C 1.739 177.336 175.510 0.145 0.000 1.037 723 N CA 1.445 54.586 53.050 0.152 0.000 0.855 723 N CB -0.386 38.164 38.487 0.106 0.000 1.033 723 N HN 0.340 nan 8.380 nan 0.000 0.423 724 E N 0.180 120.464 120.200 0.141 0.000 2.284 724 E HA -0.194 4.156 4.350 -0.000 0.000 0.200 724 E C 1.520 178.198 176.600 0.131 0.000 1.008 724 E CA 1.043 57.527 56.400 0.140 0.000 0.829 724 E CB 0.047 29.849 29.700 0.170 0.000 0.744 724 E HN 0.406 nan 8.360 nan 0.000 0.491 725 A N 1.018 123.918 122.820 0.134 0.000 1.844 725 A HA -0.089 4.231 4.320 -0.000 0.000 0.212 725 A C 2.094 179.763 177.584 0.143 0.000 1.221 725 A CA 1.045 53.154 52.037 0.121 0.000 0.607 725 A CB -0.535 18.529 19.000 0.107 0.000 0.878 725 A HN 0.179 nan 8.150 nan 0.000 0.451 726 R N 0.107 120.712 120.500 0.175 0.000 2.134 726 R HA -0.279 4.061 4.340 -0.000 0.000 0.248 726 R C 1.578 177.952 176.300 0.124 0.000 1.143 726 R CA 2.514 58.699 56.100 0.141 0.000 0.957 726 R CB -0.726 29.649 30.300 0.124 0.000 0.867 726 R HN 0.549 nan 8.270 nan 0.000 0.441 727 D N -0.051 120.442 120.400 0.154 0.000 2.182 727 D HA -0.252 4.387 4.640 -0.000 0.000 0.193 727 D C 1.850 178.327 176.300 0.294 0.000 0.999 727 D CA 2.423 56.570 54.000 0.245 0.000 0.850 727 D CB -0.217 40.724 40.800 0.235 0.000 0.994 727 D HN 0.447 nan 8.370 nan 0.000 0.450 728 K N 0.835 121.353 120.400 0.196 0.000 2.152 728 K HA -0.123 4.196 4.320 -0.000 0.000 0.206 728 K C 2.085 178.776 176.600 0.152 0.000 1.048 728 K CA 1.595 57.976 56.287 0.156 0.000 0.933 728 K CB -0.293 32.266 32.500 0.098 0.000 0.721 728 K HN 0.114 nan 8.250 nan 0.000 0.447 729 A N 1.642 124.544 122.820 0.136 0.000 1.884 729 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 729 A C 2.587 180.247 177.584 0.128 0.000 1.197 729 A CA 2.260 54.363 52.037 0.111 0.000 0.637 729 A CB -1.688 17.371 19.000 0.099 0.000 0.827 729 A HN 0.605 nan 8.150 nan 0.000 0.450 730 G N -1.423 107.475 108.800 0.163 0.000 2.402 730 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.216 730 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.216 730 G C 1.585 176.692 174.900 0.344 0.000 1.162 730 G CA 0.726 45.947 45.100 0.202 0.000 0.777 730 G HN 0.517 nan 8.290 nan 0.000 0.539 731 R N -0.259 120.481 120.500 0.400 0.000 2.417 731 R HA 0.063 4.403 4.340 -0.000 0.000 0.220 731 R C 1.830 178.193 176.300 0.106 0.000 1.128 731 R CA 0.346 56.560 56.100 0.189 0.000 1.048 731 R CB -0.178 30.165 30.300 0.070 0.000 0.835 731 R HN 0.397 nan 8.270 nan 0.000 0.483 732 L N -2.216 119.081 121.223 0.124 0.000 2.362 732 L HA 0.149 4.489 4.340 -0.000 0.000 0.204 732 L C 2.345 179.263 176.870 0.081 0.000 1.060 732 L CA 0.474 55.362 54.840 0.081 0.000 0.827 732 L CB -0.297 41.805 42.059 0.072 0.000 1.027 732 L HN 0.103 nan 8.230 nan 0.000 0.474 733 A N 0.238 123.119 122.820 0.102 0.000 1.898 733 A HA -0.245 4.075 4.320 -0.000 0.000 0.216 733 A C 2.104 179.746 177.584 0.097 0.000 1.181 733 A CA 1.708 53.799 52.037 0.090 0.000 0.620 733 A CB -0.528 18.527 19.000 0.091 0.000 0.819 733 A HN 0.440 nan 8.150 nan 0.000 0.442 734 E N -0.102 120.179 120.200 0.136 0.000 2.455 734 E HA -0.101 4.249 4.350 -0.000 0.000 0.202 734 E C 1.156 177.798 176.600 0.069 0.000 1.045 734 E CA 1.207 57.682 56.400 0.125 0.000 0.872 734 E CB -0.037 29.764 29.700 0.169 0.000 0.792 734 E HN 0.429 nan 8.360 nan 0.000 0.542 735 V N 0.492 120.441 119.914 0.058 0.000 3.048 735 V HA -0.052 4.067 4.120 -0.000 0.000 0.241 735 V C 2.114 178.231 176.094 0.039 0.000 1.129 735 V CA 0.814 63.136 62.300 0.037 0.000 1.128 735 V CB -0.257 31.583 31.823 0.028 0.000 0.849 735 V HN 0.302 nan 8.190 nan 0.000 0.475 736 N N 0.544 119.271 118.700 0.045 0.000 2.494 736 N HA 0.017 4.757 4.740 -0.000 0.000 0.182 736 N C 0.528 176.063 175.510 0.042 0.000 1.076 736 N CA 0.281 53.355 53.050 0.040 0.000 0.908 736 N CB 0.117 38.628 38.487 0.040 0.000 0.967 736 N HN 0.373 nan 8.380 nan 0.000 0.449 737 L N 2.789 124.042 121.223 0.050 0.000 2.313 737 L HA 0.152 4.492 4.340 -0.000 0.000 0.282 737 L C 0.322 177.221 176.870 0.048 0.000 1.092 737 L CA -0.351 54.520 54.840 0.052 0.000 0.831 737 L CB 0.919 43.015 42.059 0.063 0.000 1.159 737 L HN -0.016 nan 8.230 nan 0.000 0.442 738 K N 2.279 122.707 120.400 0.045 0.000 2.258 738 K HA 0.073 4.393 4.320 -0.000 0.000 0.264 738 K C 0.021 176.652 176.600 0.052 0.000 1.007 738 K CA -0.647 55.666 56.287 0.044 0.000 0.941 738 K CB 0.677 33.200 32.500 0.040 0.000 0.966 738 K HN 0.411 nan 8.250 nan 0.000 0.480 739 D N 0.972 121.401 120.400 0.048 0.000 2.420 739 D HA -0.084 4.556 4.640 -0.000 0.000 0.233 739 D C 1.025 177.365 176.300 0.067 0.000 1.017 739 D CA 0.783 54.815 54.000 0.053 0.000 0.951 739 D CB -0.244 40.583 40.800 0.045 0.000 0.877 739 D HN 0.473 nan 8.370 nan 0.000 0.528 740 L N -3.184 118.081 121.223 0.070 0.000 2.781 740 L HA 0.331 4.670 4.340 -0.000 0.000 0.245 740 L C 0.481 177.408 176.870 0.094 0.000 1.118 740 L CA -0.562 54.328 54.840 0.084 0.000 0.918 740 L CB -0.259 41.840 42.059 0.066 0.000 1.246 740 L HN -0.282 nan 8.230 nan 0.000 0.526 741 N N 1.726 120.475 118.700 0.082 0.000 2.452 741 N HA 0.019 4.759 4.740 -0.000 0.000 0.266 741 N C 0.915 176.496 175.510 0.119 0.000 1.209 741 N CA 0.054 53.152 53.050 0.079 0.000 0.929 741 N CB 0.447 38.974 38.487 0.067 0.000 1.063 741 N HN 0.181 nan 8.380 nan 0.000 0.472 742 N N 2.951 121.724 118.700 0.121 0.000 2.018 742 N HA -0.190 4.550 4.740 -0.000 0.000 0.196 742 N C 1.397 177.038 175.510 0.218 0.000 1.043 742 N CA 1.322 54.499 53.050 0.211 0.000 0.856 742 N CB -0.553 37.934 38.487 0.001 0.000 1.042 742 N HN 0.331 nan 8.380 nan 0.000 0.423 743 V N 1.875 121.864 119.914 0.124 0.000 2.380 743 V HA -0.254 3.866 4.120 -0.000 0.000 0.251 743 V C 2.544 178.705 176.094 0.112 0.000 1.063 743 V CA 1.689 64.055 62.300 0.110 0.000 1.055 743 V CB -0.540 31.326 31.823 0.072 0.000 0.657 743 V HN 0.398 nan 8.190 nan 0.000 0.455 744 K N -0.454 120.010 120.400 0.107 0.000 2.007 744 K HA -0.202 4.117 4.320 -0.000 0.000 0.206 744 K C 2.310 178.966 176.600 0.092 0.000 1.047 744 K CA 1.544 57.888 56.287 0.094 0.000 0.937 744 K CB -0.180 32.370 32.500 0.083 0.000 0.718 744 K HN 0.465 nan 8.250 nan 0.000 0.438 745 Q N 0.074 119.943 119.800 0.114 0.000 2.096 745 Q HA -0.225 4.115 4.340 -0.000 0.000 0.208 745 Q C 2.219 178.249 176.000 0.051 0.000 0.993 745 Q CA 2.339 58.197 55.803 0.090 0.000 0.862 745 Q CB -0.095 28.731 28.738 0.147 0.000 0.915 745 Q HN 0.427 nan 8.270 nan 0.000 0.416 746 M N -0.390 119.275 119.600 0.108 0.000 2.080 746 M HA -0.185 4.295 4.480 -0.000 0.000 0.260 746 M C 2.255 178.583 176.300 0.048 0.000 1.068 746 M CA 1.261 56.604 55.300 0.072 0.000 1.109 746 M CB -0.455 32.229 32.600 0.140 0.000 1.342 746 M HN 0.119 nan 8.290 nan 0.000 0.405 747 V N 0.451 120.405 119.914 0.066 0.000 2.469 747 V HA -0.277 3.843 4.120 -0.000 0.000 0.251 747 V C 2.349 178.467 176.094 0.040 0.000 1.064 747 V CA 1.649 63.984 62.300 0.058 0.000 1.066 747 V CB -0.783 31.086 31.823 0.077 0.000 0.667 747 V HN 0.502 nan 8.190 nan 0.000 0.461 748 M N 0.278 119.897 119.600 0.032 0.000 2.077 748 M HA -0.087 4.393 4.480 -0.000 0.000 0.261 748 M C 2.456 178.757 176.300 0.000 0.000 1.070 748 M CA 2.123 57.433 55.300 0.016 0.000 1.125 748 M CB -0.645 31.963 32.600 0.014 0.000 1.339 748 M HN 0.359 nan 8.290 nan 0.000 0.409 749 A N 0.047 122.858 122.820 -0.014 0.000 2.070 749 A HA 0.084 4.404 4.320 -0.000 0.000 0.220 749 A C 1.810 179.386 177.584 -0.014 0.000 1.159 749 A CA 1.469 53.488 52.037 -0.030 0.000 0.656 749 A CB -1.171 17.793 19.000 -0.060 0.000 0.800 749 A HN 0.761 nan 8.150 nan 0.000 0.453 750 G N -1.043 107.759 108.800 0.003 0.000 2.136 750 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.242 750 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.242 750 G C 1.167 176.076 174.900 0.015 0.000 0.989 750 G CA 1.326 46.434 45.100 0.013 0.000 0.682 750 G HN 1.524 nan 8.290 nan 0.000 0.522 751 S N -1.131 114.576 115.700 0.012 0.000 2.345 751 S HA 0.247 4.717 4.470 -0.000 0.000 0.220 751 S C 1.196 175.814 174.600 0.031 0.000 1.031 751 S CA 1.741 59.952 58.200 0.018 0.000 0.996 751 S CB 0.305 63.512 63.200 0.012 0.000 0.882 751 S HN 0.457 nan 8.310 nan 0.000 0.445 752 K N -0.425 119.999 120.400 0.040 0.000 2.466 752 K HA 0.561 4.881 4.320 -0.000 0.000 0.277 752 K C 0.117 176.746 176.600 0.047 0.000 1.039 752 K CA 0.037 56.350 56.287 0.042 0.000 0.904 752 K CB 0.998 33.527 32.500 0.048 0.000 1.506 752 K HN 0.597 nan 8.250 nan 0.000 0.441 753 G N 0.845 109.670 108.800 0.042 0.000 2.955 753 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.604 753 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.604 753 G C -0.644 174.290 174.900 0.057 0.000 1.572 753 G CA 0.108 45.236 45.100 0.045 0.000 1.016 753 G HN 0.974 nan 8.290 nan 0.000 0.569 754 S N -0.334 115.406 115.700 0.067 0.000 2.588 754 S HA 0.627 5.097 4.470 -0.000 0.000 0.269 754 S C 0.457 175.143 174.600 0.142 0.000 1.157 754 S CA 0.299 58.561 58.200 0.103 0.000 0.824 754 S CB 1.519 64.773 63.200 0.090 0.000 1.126 754 S HN 1.945 nan 8.310 nan 0.000 0.464 755 F N 1.991 121.959 119.950 0.030 0.000 2.064 755 F HA -0.282 4.245 4.527 -0.000 0.000 0.292 755 F C 1.884 177.707 175.800 0.038 0.000 1.107 755 F CA 2.258 60.278 58.000 0.033 0.000 1.243 755 F CB -0.727 38.291 39.000 0.030 0.000 0.949 755 F HN 0.610 nan 8.300 nan 0.000 0.506 756 I N 0.933 121.312 120.570 -0.319 0.000 2.121 756 I HA -0.459 3.711 4.170 -0.000 0.000 0.243 756 I C 2.178 178.148 176.117 -0.246 0.000 1.047 756 I CA 2.260 63.321 61.300 -0.399 0.000 1.308 756 I CB -1.630 36.280 38.000 -0.150 0.000 1.015 756 I HN 0.348 nan 8.210 nan 0.000 0.410 757 N N 0.842 119.483 118.700 -0.099 0.000 2.137 757 N HA -0.178 4.562 4.740 -0.000 0.000 0.190 757 N C 1.825 177.318 175.510 -0.028 0.000 1.017 757 N CA 1.273 54.299 53.050 -0.040 0.000 0.859 757 N CB -0.249 38.233 38.487 -0.008 0.000 1.002 757 N HN 0.352 nan 8.380 nan 0.000 0.428 758 I N 1.474 122.029 120.570 -0.026 0.000 2.113 758 I HA -0.196 3.974 4.170 -0.000 0.000 0.238 758 I C 2.457 178.562 176.117 -0.020 0.000 1.070 758 I CA 0.824 62.137 61.300 0.023 0.000 1.332 758 I CB -1.515 36.554 38.000 0.116 0.000 1.044 758 I HN 0.030 nan 8.210 nan 0.000 0.402 759 A N 0.714 123.447 122.820 -0.146 0.000 1.848 759 A HA -0.296 4.024 4.320 -0.000 0.000 0.217 759 A C 2.186 179.724 177.584 -0.077 0.000 1.220 759 A CA 2.075 54.017 52.037 -0.158 0.000 0.645 759 A CB -1.227 17.531 19.000 -0.404 0.000 0.842 759 A HN 0.531 nan 8.150 nan 0.000 0.451 760 Q N -1.331 118.420 119.800 -0.082 0.000 2.290 760 Q HA -0.235 4.105 4.340 -0.000 0.000 0.211 760 Q C 2.142 178.242 176.000 0.167 0.000 0.991 760 Q CA 1.856 57.672 55.803 0.022 0.000 0.893 760 Q CB -0.325 28.474 28.738 0.101 0.000 0.913 760 Q HN 0.753 nan 8.270 nan 0.000 0.428 761 M N -1.480 118.197 119.600 0.129 0.000 2.412 761 M HA -0.029 4.451 4.480 -0.000 0.000 0.263 761 M C 1.971 178.327 176.300 0.093 0.000 1.122 761 M CA 0.936 56.333 55.300 0.162 0.000 1.179 761 M CB 0.354 33.003 32.600 0.082 0.000 1.335 761 M HN 0.005 nan 8.290 nan 0.000 0.465 762 S N 0.268 116.000 115.700 0.053 0.000 2.468 762 S HA 0.248 4.718 4.470 -0.000 0.000 0.226 762 S C 1.720 176.336 174.600 0.026 0.000 1.051 762 S CA 0.558 58.782 58.200 0.040 0.000 0.943 762 S CB 0.127 63.354 63.200 0.045 0.000 0.810 762 S HN 0.418 nan 8.310 nan 0.000 0.509 763 A N 0.331 123.161 122.820 0.017 0.000 2.250 763 A HA 0.514 4.834 4.320 -0.000 0.000 0.222 763 A C 0.812 178.385 177.584 -0.019 0.000 1.768 763 A CA 0.449 52.493 52.037 0.012 0.000 0.660 763 A CB -0.610 18.407 19.000 0.029 0.000 1.318 763 A HN 0.531 nan 8.150 nan 0.000 0.527 764 C N -1.429 117.845 119.300 -0.045 0.000 2.782 764 C HA 0.552 5.012 4.460 -0.000 0.000 0.328 764 C C 1.662 176.551 174.990 -0.169 0.000 1.145 764 C CA -0.309 58.647 59.018 -0.102 0.000 1.358 764 C CB 0.650 28.361 27.740 -0.049 0.000 1.841 764 C HN 0.555 nan 8.230 nan 0.000 0.477 765 V N 4.828 124.567 119.914 -0.292 0.000 2.214 765 V HA 0.255 4.375 4.120 -0.000 0.000 0.247 765 V C 1.634 177.557 176.094 -0.285 0.000 1.051 765 V CA 2.667 64.753 62.300 -0.358 0.000 1.003 765 V CB -1.215 30.255 31.823 -0.588 0.000 0.635 765 V HN 1.696 nan 8.190 nan 0.000 0.447 766 G N -1.110 107.443 108.800 -0.411 0.000 2.353 766 G HA2 0.106 4.066 3.960 -0.000 0.000 0.424 766 G HA3 0.106 4.066 3.960 -0.000 0.000 0.424 766 G C -1.041 173.623 174.900 -0.392 0.000 1.320 766 G CA -0.133 44.764 45.100 -0.338 0.000 0.995 766 G HN 0.475 nan 8.290 nan 0.000 0.580 767 Q N 0.078 119.822 119.800 -0.093 0.000 2.307 767 Q HA 0.582 4.922 4.340 -0.000 0.000 0.259 767 Q C 0.346 176.373 176.000 0.045 0.000 0.998 767 Q CA -0.068 55.785 55.803 0.084 0.000 0.923 767 Q CB 0.880 29.803 28.738 0.308 0.000 1.196 767 Q HN 0.532 nan 8.270 nan 0.000 0.416 768 Q N 1.772 121.602 119.800 0.049 0.000 2.364 768 Q HA 0.371 4.710 4.340 -0.000 0.000 0.267 768 Q C -0.847 175.161 176.000 0.013 0.000 0.999 768 Q CA 0.325 56.167 55.803 0.065 0.000 0.886 768 Q CB 1.051 29.866 28.738 0.129 0.000 1.243 768 Q HN 0.823 nan 8.270 nan 0.000 0.415 769 S N -0.075 115.624 115.700 -0.002 0.000 2.627 769 S HA 0.896 5.366 4.470 -0.000 0.000 0.283 769 S C -1.141 173.432 174.600 -0.045 0.000 1.127 769 S CA -0.896 57.285 58.200 -0.033 0.000 0.863 769 S CB 1.576 64.763 63.200 -0.023 0.000 1.121 769 S HN 0.242 nan 8.310 nan 0.000 0.479 770 V N 1.337 121.215 119.914 -0.058 0.000 2.624 770 V HA 0.463 4.583 4.120 -0.000 0.000 0.294 770 V C -0.426 175.635 176.094 -0.054 0.000 1.077 770 V CA -0.634 61.632 62.300 -0.058 0.000 0.905 770 V CB 0.690 32.473 31.823 -0.067 0.000 1.025 770 V HN 1.132 nan 8.190 nan 0.000 0.440 771 E N 3.293 123.467 120.200 -0.043 0.000 2.791 771 E HA -0.307 4.043 4.350 -0.000 0.000 0.271 771 E C 1.321 177.898 176.600 -0.039 0.000 1.044 771 E CA 0.886 57.263 56.400 -0.037 0.000 0.814 771 E CB -1.209 28.468 29.700 -0.037 0.000 1.400 771 E HN 1.600 nan 8.360 nan 0.000 0.423 772 G N -0.130 108.646 108.800 -0.040 0.000 2.383 772 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.229 772 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.229 772 G C 0.245 175.109 174.900 -0.059 0.000 1.089 772 G CA 0.501 45.576 45.100 -0.042 0.000 0.640 772 G HN 0.239 nan 8.290 nan 0.000 0.510 773 K N 2.555 122.911 120.400 -0.073 0.000 2.276 773 K HA 0.496 4.816 4.320 -0.000 0.000 0.283 773 K C 1.115 177.641 176.600 -0.123 0.000 1.044 773 K CA -0.607 55.618 56.287 -0.104 0.000 0.944 773 K CB 0.830 33.265 32.500 -0.109 0.000 1.012 773 K HN 0.627 nan 8.250 nan 0.000 0.472 774 R N 1.965 122.376 120.500 -0.148 0.000 2.944 774 R HA 0.085 4.425 4.340 -0.000 0.000 0.279 774 R C 0.420 176.589 176.300 -0.219 0.000 1.048 774 R CA -0.712 55.291 56.100 -0.161 0.000 1.196 774 R CB -0.134 30.066 30.300 -0.166 0.000 1.134 774 R HN 0.406 nan 8.270 nan 0.000 0.525 775 I N 0.868 121.281 120.570 -0.260 0.000 2.996 775 I HA -0.164 4.006 4.170 -0.000 0.000 0.311 775 I C 1.094 177.016 176.117 -0.326 0.000 1.219 775 I CA 0.651 61.770 61.300 -0.302 0.000 1.452 775 I CB -0.773 36.908 38.000 -0.530 0.000 1.319 775 I HN 0.797 nan 8.210 nan 0.000 0.564 776 A N 7.173 129.849 122.820 -0.240 0.000 2.517 776 A HA 0.593 4.913 4.320 -0.000 0.000 0.280 776 A C -0.200 177.302 177.584 -0.136 0.000 1.353 776 A CA -0.501 51.368 52.037 -0.279 0.000 0.907 776 A CB 0.343 19.247 19.000 -0.159 0.000 1.495 776 A HN 0.571 nan 8.150 nan 0.000 0.506 777 F N 0.602 120.530 119.950 -0.036 0.000 2.467 777 F HA 0.288 4.815 4.527 -0.000 0.000 0.349 777 F C 1.654 177.460 175.800 0.009 0.000 1.182 777 F CA -0.274 57.734 58.000 0.013 0.000 1.279 777 F CB 0.615 39.633 39.000 0.028 0.000 1.626 777 F HN 0.746 nan 8.300 nan 0.000 0.596 778 G N 2.461 111.347 108.800 0.143 0.000 2.404 778 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.215 778 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.215 778 G C 0.440 175.321 174.900 -0.032 0.000 1.174 778 G CA 0.082 45.159 45.100 -0.039 0.000 0.780 778 G HN 0.333 nan 8.290 nan 0.000 0.537 779 F N 0.523 120.532 119.950 0.099 0.000 2.399 779 F HA 0.340 4.866 4.527 -0.000 0.000 0.342 779 F C 0.653 176.462 175.800 0.015 0.000 1.106 779 F CA -1.133 56.895 58.000 0.047 0.000 1.196 779 F CB 1.628 40.648 39.000 0.034 0.000 1.163 779 F HN -0.257 nan 8.300 nan 0.000 0.547 780 V N 4.630 124.663 119.914 0.197 0.000 2.539 780 V HA -0.190 3.930 4.120 -0.000 0.000 0.294 780 V C 0.163 176.189 176.094 -0.114 0.000 0.994 780 V CA 0.660 62.988 62.300 0.046 0.000 1.169 780 V CB -0.737 31.110 31.823 0.039 0.000 0.898 780 V HN 0.856 nan 8.190 nan 0.000 0.471 781 D N 3.110 123.314 120.400 -0.327 0.000 2.811 781 D HA -0.192 4.448 4.640 -0.000 0.000 0.231 781 D C 0.453 176.033 176.300 -1.200 0.000 1.157 781 D CA 1.623 55.102 54.000 -0.869 0.000 0.716 781 D CB -0.427 40.148 40.800 -0.374 0.000 1.077 781 D HN 0.989 nan 8.370 nan 0.000 0.428 782 R N -4.036 115.960 120.500 -0.839 0.000 2.709 782 R HA 0.475 4.815 4.340 -0.000 0.000 0.270 782 R C 0.484 177.074 176.300 0.485 0.000 1.038 782 R CA -0.846 55.210 56.100 -0.073 0.000 0.872 782 R CB 0.340 30.693 30.300 0.088 0.000 1.259 782 R HN -0.250 nan 8.270 nan 0.000 0.473 783 T N 0.725 115.662 114.554 0.638 0.000 2.732 783 T HA 0.146 4.496 4.350 -0.000 0.000 0.261 783 T C 0.604 175.581 174.700 0.461 0.000 1.040 783 T CA 0.871 63.289 62.100 0.529 0.000 1.145 783 T CB -0.125 69.065 68.868 0.537 0.000 0.866 783 T HN 0.304 nan 8.240 nan 0.000 0.427 784 L N 0.923 122.338 121.223 0.320 0.000 2.371 784 L HA 0.363 4.703 4.340 -0.000 0.000 0.262 784 L C -1.830 174.975 176.870 -0.108 0.000 1.006 784 L CA -2.396 52.488 54.840 0.074 0.000 0.818 784 L CB 2.338 44.143 42.059 -0.424 0.000 1.354 784 L HN -0.148 nan 8.230 nan 0.000 0.415 785 P HA -0.142 nan 4.420 nan 0.000 0.236 785 P C 0.661 177.960 177.300 -0.002 0.000 1.172 785 P CA 1.245 64.144 63.100 -0.335 0.000 0.759 785 P CB -0.104 31.277 31.700 -0.531 0.000 0.843 786 H N -2.090 116.822 119.070 -0.263 0.000 2.539 786 H HA 0.228 4.784 4.556 -0.000 0.000 0.267 786 H C 0.536 175.842 175.328 -0.036 0.000 0.982 786 H CA -0.365 55.543 56.048 -0.233 0.000 1.146 786 H CB -0.073 29.455 29.762 -0.390 0.000 1.382 786 H HN 0.207 nan 8.280 nan 0.000 0.577 787 F N 0.232 120.263 119.950 0.136 0.000 2.579 787 F HA 0.310 4.837 4.527 -0.000 0.000 0.324 787 F C 0.277 176.111 175.800 0.057 0.000 1.058 787 F CA -1.429 56.638 58.000 0.110 0.000 0.944 787 F CB 1.967 41.058 39.000 0.152 0.000 1.245 787 F HN -0.152 nan 8.300 nan 0.000 0.477 788 S N 1.772 117.625 115.700 0.255 0.000 2.545 788 S HA 0.202 4.672 4.470 -0.000 0.000 0.275 788 S C -0.131 174.522 174.600 0.089 0.000 1.299 788 S CA -0.893 57.379 58.200 0.120 0.000 1.048 788 S CB 0.914 64.162 63.200 0.080 0.000 0.938 788 S HN 0.418 nan 8.310 nan 0.000 0.496 789 K N 1.507 121.929 120.400 0.036 0.000 2.393 789 K HA -0.084 4.236 4.320 -0.000 0.000 0.264 789 K C -0.122 176.484 176.600 0.010 0.000 0.979 789 K CA 0.481 56.753 56.287 -0.026 0.000 0.893 789 K CB -0.059 32.413 32.500 -0.047 0.000 0.967 789 K HN 0.617 nan 8.250 nan 0.000 0.521 790 D N 0.689 121.075 120.400 -0.024 0.000 2.706 790 D HA -0.191 4.449 4.640 -0.000 0.000 0.230 790 D C -0.723 175.756 176.300 0.299 0.000 1.184 790 D CA 1.000 55.102 54.000 0.168 0.000 0.628 790 D CB -0.670 40.194 40.800 0.107 0.000 1.019 790 D HN 0.373 nan 8.370 nan 0.000 0.415 791 D N -0.192 120.383 120.400 0.293 0.000 2.412 791 D HA 0.113 4.753 4.640 -0.000 0.000 0.224 791 D C -0.129 176.378 176.300 0.345 0.000 1.093 791 D CA -0.518 53.627 54.000 0.241 0.000 0.850 791 D CB 0.393 41.218 40.800 0.042 0.000 1.046 791 D HN 0.135 nan 8.370 nan 0.000 0.507 792 Y N 1.456 121.851 120.300 0.158 0.000 2.457 792 Y HA 0.056 4.605 4.550 -0.000 0.000 0.263 792 Y C 1.463 177.435 175.900 0.120 0.000 1.164 792 Y CA -0.314 57.897 58.100 0.184 0.000 1.274 792 Y CB -0.072 38.551 38.460 0.272 0.000 1.097 792 Y HN 0.292 nan 8.280 nan 0.000 0.523 793 S N 1.567 117.367 115.700 0.166 0.000 2.569 793 S HA -0.000 4.470 4.470 -0.000 0.000 0.274 793 S C -1.265 173.360 174.600 0.041 0.000 1.353 793 S CA -0.905 57.347 58.200 0.086 0.000 1.023 793 S CB 0.968 64.180 63.200 0.020 0.000 0.876 793 S HN 0.116 nan 8.310 nan 0.000 0.540 794 P HA -0.105 nan 4.420 nan 0.000 0.217 794 P C 0.534 177.918 177.300 0.139 0.000 1.150 794 P CA 1.286 64.395 63.100 0.014 0.000 0.832 794 P CB -0.144 31.469 31.700 -0.145 0.000 0.787 795 E N -0.456 119.829 120.200 0.142 0.000 2.526 795 E HA -0.011 4.339 4.350 -0.000 0.000 0.198 795 E C 1.898 178.677 176.600 0.300 0.000 1.091 795 E CA 0.458 57.009 56.400 0.252 0.000 0.880 795 E CB -0.444 29.370 29.700 0.190 0.000 0.873 795 E HN 0.226 nan 8.360 nan 0.000 0.527 796 S N -0.495 115.299 115.700 0.157 0.000 2.731 796 S HA 0.060 4.530 4.470 -0.000 0.000 0.244 796 S C 1.325 175.962 174.600 0.061 0.000 1.084 796 S CA -0.207 58.113 58.200 0.200 0.000 0.877 796 S CB 0.277 63.389 63.200 -0.146 0.000 0.798 796 S HN -0.082 nan 8.310 nan 0.000 0.496 797 K N 1.701 122.055 120.400 -0.076 0.000 2.569 797 K HA 0.226 4.545 4.320 -0.000 0.000 0.193 797 K C 0.831 177.240 176.600 -0.319 0.000 1.026 797 K CA 0.682 56.820 56.287 -0.249 0.000 1.093 797 K CB -0.326 32.044 32.500 -0.217 0.000 0.849 797 K HN 0.579 nan 8.250 nan 0.000 0.509 798 G N 1.777 110.393 108.800 -0.308 0.000 2.392 798 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.215 798 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.215 798 G C -0.700 174.328 174.900 0.213 0.000 1.097 798 G CA -0.575 44.420 45.100 -0.175 0.000 0.840 798 G HN 0.270 nan 8.290 nan 0.000 0.492 799 F N 1.544 121.591 119.950 0.161 0.000 2.332 799 F HA 0.615 5.142 4.527 -0.000 0.000 0.368 799 F C 0.283 176.165 175.800 0.137 0.000 1.110 799 F CA -1.069 56.998 58.000 0.112 0.000 1.087 799 F CB 1.561 40.605 39.000 0.072 0.000 1.235 799 F HN 0.060 nan 8.300 nan 0.000 0.470 800 V N 7.408 127.064 119.914 -0.429 0.000 2.389 800 V HA 0.064 4.184 4.120 -0.000 0.000 0.264 800 V C 0.998 176.708 176.094 -0.640 0.000 1.049 800 V CA 0.137 62.217 62.300 -0.366 0.000 0.932 800 V CB 1.111 32.741 31.823 -0.321 0.000 1.011 800 V HN 0.909 nan 8.190 nan 0.000 0.475 801 E N 4.304 124.326 120.200 -0.297 0.000 2.250 801 E HA -0.002 4.348 4.350 -0.000 0.000 0.192 801 E C 0.781 177.308 176.600 -0.121 0.000 0.986 801 E CA 0.042 56.356 56.400 -0.143 0.000 0.849 801 E CB 0.360 30.154 29.700 0.156 0.000 0.797 801 E HN 0.734 nan 8.360 nan 0.000 0.482 802 N N 1.167 119.784 118.700 -0.139 0.000 2.424 802 N HA 0.017 4.756 4.740 -0.000 0.000 0.257 802 N C -0.335 175.054 175.510 -0.202 0.000 1.250 802 N CA 0.301 53.275 53.050 -0.128 0.000 0.946 802 N CB 1.338 39.764 38.487 -0.103 0.000 1.175 802 N HN 0.054 nan 8.380 nan 0.000 0.477 803 S N -0.211 115.407 115.700 -0.136 0.000 2.616 803 S HA 0.245 4.715 4.470 -0.000 0.000 0.277 803 S C 0.892 175.419 174.600 -0.122 0.000 1.234 803 S CA -0.673 57.449 58.200 -0.129 0.000 1.028 803 S CB 0.514 63.693 63.200 -0.035 0.000 0.988 803 S HN 0.514 nan 8.310 nan 0.000 0.522 804 Y N 0.378 120.645 120.300 -0.055 0.000 2.465 804 Y HA -0.112 4.438 4.550 -0.000 0.000 0.289 804 Y C 1.986 177.872 175.900 -0.024 0.000 1.150 804 Y CA 0.712 58.787 58.100 -0.041 0.000 1.293 804 Y CB -0.158 38.281 38.460 -0.037 0.000 0.977 804 Y HN 0.639 nan 8.280 nan 0.000 0.556 805 L N 0.079 121.367 121.223 0.108 0.000 2.095 805 L HA -0.092 4.248 4.340 -0.000 0.000 0.204 805 L C 2.173 179.063 176.870 0.034 0.000 1.080 805 L CA 1.532 56.410 54.840 0.064 0.000 0.759 805 L CB -0.416 41.670 42.059 0.044 0.000 0.914 805 L HN -0.015 nan 8.230 nan 0.000 0.439 806 R N -0.099 120.408 120.500 0.011 0.000 2.055 806 R HA 0.285 4.625 4.340 -0.000 0.000 0.228 806 R C 0.327 176.623 176.300 -0.007 0.000 1.143 806 R CA 0.793 56.891 56.100 -0.004 0.000 0.945 806 R CB -0.454 29.834 30.300 -0.018 0.000 0.841 806 R HN 0.485 nan 8.270 nan 0.000 0.429 807 G N 0.310 109.097 108.800 -0.021 0.000 3.226 807 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.685 807 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.685 807 G C -0.705 174.171 174.900 -0.040 0.000 1.207 807 G CA -1.042 44.047 45.100 -0.017 0.000 0.877 807 G HN -0.005 nan 8.290 nan 0.000 0.585 808 L N 0.879 122.080 121.223 -0.036 0.000 2.332 808 L HA 0.638 4.977 4.340 -0.000 0.000 0.219 808 L C 1.826 178.695 176.870 -0.002 0.000 1.199 808 L CA 1.149 55.979 54.840 -0.016 0.000 0.830 808 L CB 0.159 42.263 42.059 0.075 0.000 1.192 808 L HN 1.193 nan 8.230 nan 0.000 0.571 809 T N -4.566 110.006 114.554 0.031 0.000 2.907 809 T HA 0.464 4.814 4.350 -0.000 0.000 0.292 809 T C -2.187 172.546 174.700 0.056 0.000 1.043 809 T CA -1.890 60.225 62.100 0.025 0.000 1.003 809 T CB 1.732 70.620 68.868 0.033 0.000 1.084 809 T HN 0.291 nan 8.240 nan 0.000 0.483 810 P HA -0.216 nan 4.420 nan 0.000 0.219 810 P C 1.216 178.528 177.300 0.020 0.000 1.153 810 P CA 1.550 64.695 63.100 0.075 0.000 0.865 810 P CB 0.102 31.831 31.700 0.048 0.000 0.788 811 Q N -0.987 118.743 119.800 -0.116 0.000 2.061 811 Q HA -0.071 4.269 4.340 -0.000 0.000 0.195 811 Q C 2.173 177.823 176.000 -0.584 0.000 0.967 811 Q CA 1.135 56.661 55.803 -0.461 0.000 0.829 811 Q CB -0.724 27.787 28.738 -0.379 0.000 0.900 811 Q HN 0.332 nan 8.270 nan 0.000 0.450 812 E N 0.371 120.453 120.200 -0.197 0.000 2.049 812 E HA -0.242 4.108 4.350 -0.000 0.000 0.198 812 E C 1.749 178.382 176.600 0.054 0.000 1.007 812 E CA 1.280 57.661 56.400 -0.032 0.000 0.809 812 E CB -0.348 29.365 29.700 0.023 0.000 0.749 812 E HN 0.208 nan 8.360 nan 0.000 0.450 813 F N 1.038 120.963 119.950 -0.043 0.000 2.063 813 F HA -0.298 4.228 4.527 -0.000 0.000 0.298 813 F C 2.094 177.936 175.800 0.070 0.000 1.109 813 F CA 1.657 59.681 58.000 0.041 0.000 1.212 813 F CB -0.571 38.453 39.000 0.040 0.000 0.973 813 F HN -0.029 nan 8.300 nan 0.000 0.480 814 F N -0.001 119.856 119.950 -0.154 0.000 2.075 814 F HA -0.206 4.321 4.527 -0.000 0.000 0.297 814 F C 2.311 178.062 175.800 -0.081 0.000 1.113 814 F CA 1.959 59.821 58.000 -0.231 0.000 1.218 814 F CB -0.929 37.950 39.000 -0.202 0.000 0.984 814 F HN 0.019 nan 8.300 nan 0.000 0.472 815 F N -0.975 119.086 119.950 0.185 0.000 2.065 815 F HA -0.357 4.170 4.527 -0.000 0.000 0.298 815 F C 2.630 178.411 175.800 -0.032 0.000 1.112 815 F CA 1.323 59.377 58.000 0.090 0.000 1.212 815 F CB -1.009 38.071 39.000 0.133 0.000 0.975 815 F HN 0.099 nan 8.300 nan 0.000 0.476 816 H N 0.482 119.591 119.070 0.066 0.000 2.426 816 H HA -0.166 4.390 4.556 -0.000 0.000 0.298 816 H C 1.943 177.170 175.328 -0.170 0.000 1.107 816 H CA 1.259 57.279 56.048 -0.047 0.000 1.298 816 H CB -0.346 29.387 29.762 -0.048 0.000 1.377 816 H HN 0.218 nan 8.280 nan 0.000 0.519 817 A N 0.574 123.153 122.820 -0.401 0.000 1.841 817 A HA -0.180 4.140 4.320 -0.000 0.000 0.214 817 A C 2.544 179.875 177.584 -0.420 0.000 1.195 817 A CA 1.894 53.601 52.037 -0.551 0.000 0.611 817 A CB -0.778 17.765 19.000 -0.762 0.000 0.835 817 A HN 0.518 nan 8.150 nan 0.000 0.443 818 M N -0.223 119.142 119.600 -0.391 0.000 2.089 818 M HA -0.179 4.301 4.480 -0.000 0.000 0.257 818 M C 2.267 178.465 176.300 -0.170 0.000 1.071 818 M CA 1.777 56.930 55.300 -0.245 0.000 1.096 818 M CB -1.148 31.382 32.600 -0.116 0.000 1.330 818 M HN 0.472 nan 8.290 nan 0.000 0.403 819 G N 0.202 108.920 108.800 -0.136 0.000 2.459 819 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.217 819 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.217 819 G C 1.551 176.361 174.900 -0.151 0.000 1.183 819 G CA 1.132 46.169 45.100 -0.104 0.000 0.776 819 G HN 0.580 nan 8.290 nan 0.000 0.552 820 G N 0.755 109.397 108.800 -0.263 0.000 2.402 820 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.216 820 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.216 820 G C 1.835 176.625 174.900 -0.182 0.000 1.162 820 G CA 1.181 46.131 45.100 -0.251 0.000 0.777 820 G HN 0.568 nan 8.290 nan 0.000 0.539 821 R N 0.921 121.302 120.500 -0.198 0.000 2.200 821 R HA -0.031 4.309 4.340 -0.000 0.000 0.234 821 R C 2.086 178.319 176.300 -0.112 0.000 1.127 821 R CA 1.853 57.861 56.100 -0.153 0.000 0.989 821 R CB -0.501 29.697 30.300 -0.170 0.000 0.869 821 R HN 0.492 nan 8.270 nan 0.000 0.459 822 E N -0.516 119.620 120.200 -0.106 0.000 2.106 822 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 822 E C 1.704 178.265 176.600 -0.066 0.000 0.984 822 E CA 1.243 57.597 56.400 -0.077 0.000 0.806 822 E CB -0.325 29.334 29.700 -0.068 0.000 0.750 822 E HN 0.577 nan 8.360 nan 0.000 0.458 823 G N 1.680 110.437 108.800 -0.072 0.000 2.484 823 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.215 823 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.215 823 G C 1.511 176.378 174.900 -0.056 0.000 1.219 823 G CA 0.702 45.767 45.100 -0.058 0.000 0.791 823 G HN 0.251 nan 8.290 nan 0.000 0.550 824 L N 0.311 121.494 121.223 -0.066 0.000 2.671 824 L HA -0.089 4.251 4.340 -0.000 0.000 0.236 824 L C 2.372 179.212 176.870 -0.050 0.000 1.178 824 L CA 0.399 55.204 54.840 -0.059 0.000 0.829 824 L CB -0.459 41.559 42.059 -0.069 0.000 0.956 824 L HN 0.317 nan 8.230 nan 0.000 0.455 825 I N -0.170 120.371 120.570 -0.049 0.000 2.900 825 I HA -0.124 4.046 4.170 -0.000 0.000 0.251 825 I C 1.659 177.757 176.117 -0.033 0.000 1.102 825 I CA 0.689 61.964 61.300 -0.041 0.000 1.457 825 I CB -0.115 37.859 38.000 -0.042 0.000 1.285 825 I HN 0.246 nan 8.210 nan 0.000 0.459 826 D N -0.255 120.126 120.400 -0.032 0.000 2.379 826 D HA -0.105 4.535 4.640 -0.000 0.000 0.243 826 D C 1.262 177.547 176.300 -0.026 0.000 1.088 826 D CA 0.751 54.735 54.000 -0.026 0.000 0.925 826 D CB -0.204 40.581 40.800 -0.025 0.000 0.888 826 D HN 0.115 nan 8.370 nan 0.000 0.529 827 T N -0.971 113.566 114.554 -0.029 0.000 3.000 827 T HA 0.269 4.619 4.350 -0.000 0.000 0.248 827 T C 1.526 176.210 174.700 -0.026 0.000 1.034 827 T CA 0.403 62.486 62.100 -0.028 0.000 1.060 827 T CB 0.270 69.118 68.868 -0.033 0.000 0.983 827 T HN 0.332 nan 8.240 nan 0.000 0.482 828 A N 0.746 123.551 122.820 -0.026 0.000 2.532 828 A HA 0.584 4.904 4.320 -0.000 0.000 0.273 828 A C 1.086 178.659 177.584 -0.019 0.000 1.342 828 A CA -0.039 51.984 52.037 -0.023 0.000 0.929 828 A CB -0.216 18.769 19.000 -0.025 0.000 1.051 828 A HN 0.293 nan 8.150 nan 0.000 0.521 829 V N -1.897 118.007 119.914 -0.017 0.000 3.602 829 V HA 0.084 4.204 4.120 -0.000 0.000 0.186 829 V C 1.126 177.216 176.094 -0.007 0.000 1.444 829 V CA 0.373 62.666 62.300 -0.011 0.000 1.221 829 V CB -0.209 31.606 31.823 -0.012 0.000 1.180 829 V HN 0.275 nan 8.190 nan 0.000 0.554 830 K N 1.000 121.394 120.400 -0.011 0.000 3.120 830 K HA 0.115 4.435 4.320 -0.000 0.000 0.275 830 K C 1.002 177.595 176.600 -0.013 0.000 0.914 830 K CA 1.145 57.425 56.287 -0.011 0.000 1.125 830 K CB -0.322 32.168 32.500 -0.016 0.000 1.053 830 K HN 0.531 nan 8.250 nan 0.000 0.450 831 T N -3.138 111.411 114.554 -0.009 0.000 3.417 831 T HA 0.217 4.567 4.350 -0.000 0.000 0.279 831 T C 1.407 176.107 174.700 0.000 0.000 0.918 831 T CA 0.391 62.484 62.100 -0.010 0.000 1.005 831 T CB -0.230 68.629 68.868 -0.016 0.000 1.212 831 T HN 0.131 nan 8.240 nan 0.000 0.510 832 A N 1.398 124.219 122.820 0.002 0.000 1.845 832 A HA -0.001 4.319 4.320 -0.000 0.000 0.215 832 A C 1.988 179.590 177.584 0.030 0.000 1.195 832 A CA 2.242 54.284 52.037 0.009 0.000 0.616 832 A CB -0.819 18.180 19.000 -0.001 0.000 0.832 832 A HN 0.649 nan 8.150 nan 0.000 0.443 833 E N -1.148 119.071 120.200 0.033 0.000 2.204 833 E HA -0.110 4.240 4.350 -0.000 0.000 0.194 833 E C 1.839 178.492 176.600 0.089 0.000 0.989 833 E CA 1.197 57.638 56.400 0.068 0.000 0.824 833 E CB -0.103 29.629 29.700 0.052 0.000 0.756 833 E HN 0.546 nan 8.360 nan 0.000 0.477 834 T N -0.489 114.093 114.554 0.045 0.000 2.833 834 T HA -0.126 4.224 4.350 -0.000 0.000 0.269 834 T C 1.565 176.283 174.700 0.029 0.000 1.054 834 T CA 1.142 63.257 62.100 0.025 0.000 1.135 834 T CB -0.387 68.479 68.868 -0.003 0.000 0.869 834 T HN 0.411 nan 8.240 nan 0.000 0.466 835 G N -0.318 108.510 108.800 0.047 0.000 2.402 835 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.216 835 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.216 835 G C 1.356 176.311 174.900 0.093 0.000 1.162 835 G CA 0.607 45.736 45.100 0.049 0.000 0.777 835 G HN 0.530 nan 8.290 nan 0.000 0.539 836 Y N 1.223 121.528 120.300 0.008 0.000 2.224 836 Y HA -0.019 4.531 4.550 -0.000 0.000 0.289 836 Y C 2.498 178.415 175.900 0.029 0.000 1.146 836 Y CA 0.878 58.997 58.100 0.032 0.000 1.182 836 Y CB -0.138 38.346 38.460 0.041 0.000 0.983 836 Y HN 0.183 nan 8.280 nan 0.000 0.524 837 I N -0.292 120.256 120.570 -0.037 0.000 2.179 837 I HA -0.316 3.854 4.170 -0.000 0.000 0.242 837 I C 2.578 178.606 176.117 -0.148 0.000 1.088 837 I CA 1.499 62.725 61.300 -0.123 0.000 1.357 837 I CB -0.469 37.508 38.000 -0.039 0.000 1.051 837 I HN 0.259 nan 8.210 nan 0.000 0.409 838 Q N 1.178 120.922 119.800 -0.093 0.000 2.077 838 Q HA -0.278 4.061 4.340 -0.000 0.000 0.206 838 Q C 2.259 178.181 176.000 -0.130 0.000 0.989 838 Q CA 1.873 57.616 55.803 -0.101 0.000 0.853 838 Q CB -0.314 28.382 28.738 -0.069 0.000 0.907 838 Q HN 0.417 nan 8.270 nan 0.000 0.418 839 R N -0.191 120.237 120.500 -0.119 0.000 2.073 839 R HA -0.139 4.201 4.340 -0.000 0.000 0.234 839 R C 2.420 178.572 176.300 -0.247 0.000 1.134 839 R CA 1.691 57.712 56.100 -0.132 0.000 0.952 839 R CB -0.018 30.266 30.300 -0.027 0.000 0.850 839 R HN 0.152 nan 8.270 nan 0.000 0.433 840 R N 0.388 120.687 120.500 -0.336 0.000 2.070 840 R HA -0.104 4.236 4.340 -0.000 0.000 0.233 840 R C 2.449 178.520 176.300 -0.382 0.000 1.137 840 R CA 1.722 57.590 56.100 -0.387 0.000 0.945 840 R CB -0.716 29.392 30.300 -0.320 0.000 0.845 840 R HN 0.216 nan 8.270 nan 0.000 0.430 841 L N 0.531 121.584 121.223 -0.283 0.000 2.103 841 L HA -0.296 4.044 4.340 -0.000 0.000 0.215 841 L C 2.181 178.874 176.870 -0.295 0.000 1.080 841 L CA 1.293 55.978 54.840 -0.259 0.000 0.764 841 L CB -0.550 41.399 42.059 -0.183 0.000 0.890 841 L HN 0.106 nan 8.230 nan 0.000 0.435 842 V N -0.910 118.839 119.914 -0.275 0.000 2.227 842 V HA -0.246 3.874 4.120 -0.000 0.000 0.238 842 V C 2.375 178.270 176.094 -0.331 0.000 1.039 842 V CA 1.446 63.595 62.300 -0.252 0.000 0.990 842 V CB -0.651 31.056 31.823 -0.194 0.000 0.635 842 V HN 0.319 nan 8.190 nan 0.000 0.453 843 K N 0.540 120.716 120.400 -0.374 0.000 2.242 843 K HA -0.217 4.103 4.320 -0.000 0.000 0.206 843 K C 1.984 178.207 176.600 -0.629 0.000 1.045 843 K CA 1.716 57.753 56.287 -0.417 0.000 0.930 843 K CB -0.854 31.336 32.500 -0.518 0.000 0.726 843 K HN 0.573 nan 8.250 nan 0.000 0.462 844 A N -0.121 122.129 122.820 -0.949 0.000 2.208 844 A HA 0.069 4.389 4.320 -0.000 0.000 0.209 844 A C 1.605 178.821 177.584 -0.614 0.000 1.161 844 A CA 0.511 51.752 52.037 -1.328 0.000 0.782 844 A CB 0.050 18.215 19.000 -1.393 0.000 0.816 844 A HN 0.238 nan 8.150 nan 0.000 0.477 845 L N -1.746 119.240 121.223 -0.396 0.000 3.259 845 L HA 0.177 4.517 4.340 -0.000 0.000 0.292 845 L C 1.284 178.048 176.870 -0.177 0.000 1.219 845 L CA -0.133 54.564 54.840 -0.238 0.000 1.035 845 L CB -0.091 41.851 42.059 -0.195 0.000 1.424 845 L HN 0.236 nan 8.230 nan 0.000 0.603 846 E N 1.887 121.978 120.200 -0.181 0.000 2.054 846 E HA -0.317 4.033 4.350 -0.000 0.000 0.225 846 E C 1.183 177.722 176.600 -0.103 0.000 1.048 846 E CA 2.261 58.583 56.400 -0.131 0.000 0.899 846 E CB -0.330 29.305 29.700 -0.110 0.000 0.801 846 E HN 0.605 nan 8.360 nan 0.000 0.495 847 D N 0.932 121.285 120.400 -0.079 0.000 2.397 847 D HA -0.162 4.478 4.640 -0.000 0.000 0.219 847 D C 0.602 176.874 176.300 -0.045 0.000 0.975 847 D CA 0.807 54.776 54.000 -0.052 0.000 0.940 847 D CB -0.648 40.136 40.800 -0.026 0.000 0.884 847 D HN 0.199 nan 8.370 nan 0.000 0.505 848 I N 0.721 121.250 120.570 -0.067 0.000 2.441 848 I HA 0.227 4.397 4.170 -0.000 0.000 0.287 848 I C 0.531 176.593 176.117 -0.092 0.000 1.049 848 I CA -0.323 60.942 61.300 -0.058 0.000 1.381 848 I CB 0.585 38.543 38.000 -0.070 0.000 1.409 848 I HN 0.083 nan 8.210 nan 0.000 0.523 849 M N 5.406 124.958 119.600 -0.079 0.000 2.603 849 M HA 0.464 4.944 4.480 -0.000 0.000 0.275 849 M C -1.879 174.338 176.300 -0.138 0.000 1.226 849 M CA -0.784 54.416 55.300 -0.166 0.000 0.870 849 M CB 1.973 34.439 32.600 -0.223 0.000 1.716 849 M HN 0.128 nan 8.290 nan 0.000 0.482 850 V N 3.436 123.228 119.914 -0.203 0.000 2.637 850 V HA 0.267 4.387 4.120 -0.000 0.000 0.296 850 V C 0.042 176.015 176.094 -0.201 0.000 1.046 850 V CA 0.179 62.408 62.300 -0.117 0.000 1.066 850 V CB 0.513 32.261 31.823 -0.125 0.000 0.968 850 V HN 0.737 nan 8.190 nan 0.000 0.483 851 H N 3.600 122.631 119.070 -0.066 0.000 2.567 851 H HA 0.219 4.775 4.556 -0.000 0.000 0.345 851 H C 0.277 175.599 175.328 -0.011 0.000 1.169 851 H CA -0.443 55.570 56.048 -0.059 0.000 1.227 851 H CB 1.191 30.957 29.762 0.007 0.000 1.607 851 H HN 0.646 nan 8.280 nan 0.000 0.534 852 Y N 0.698 121.090 120.300 0.153 0.000 2.617 852 Y HA -0.249 4.301 4.550 -0.000 0.000 0.284 852 Y C 1.456 177.413 175.900 0.095 0.000 1.162 852 Y CA 1.272 59.435 58.100 0.105 0.000 1.399 852 Y CB 0.059 38.579 38.460 0.100 0.000 0.962 852 Y HN 0.635 nan 8.280 nan 0.000 0.576 853 D N -2.750 117.802 120.400 0.253 0.000 2.363 853 D HA -0.011 4.629 4.640 -0.000 0.000 0.214 853 D C 0.167 176.558 176.300 0.151 0.000 1.093 853 D CA 0.047 54.153 54.000 0.176 0.000 0.837 853 D CB -0.325 40.562 40.800 0.146 0.000 0.948 853 D HN 0.047 nan 8.370 nan 0.000 0.507 854 N N -0.789 118.000 118.700 0.149 0.000 2.818 854 N HA -0.165 4.575 4.740 -0.000 0.000 0.250 854 N C -0.902 174.695 175.510 0.145 0.000 1.108 854 N CA 1.108 54.234 53.050 0.128 0.000 0.745 854 N CB -1.537 37.016 38.487 0.110 0.000 1.104 854 N HN 0.408 nan 8.380 nan 0.000 0.557 855 T N 0.069 114.712 114.554 0.149 0.000 2.859 855 T HA 0.391 4.741 4.350 -0.000 0.000 0.281 855 T C -0.102 174.664 174.700 0.109 0.000 1.005 855 T CA 0.015 62.190 62.100 0.125 0.000 1.025 855 T CB 1.105 70.030 68.868 0.096 0.000 0.977 855 T HN 0.034 nan 8.240 nan 0.000 0.458 856 T N 6.377 120.968 114.554 0.062 0.000 2.747 856 T HA 0.462 4.811 4.350 -0.000 0.000 0.301 856 T C 0.080 174.780 174.700 0.000 0.000 0.952 856 T CA -0.385 61.746 62.100 0.052 0.000 0.983 856 T CB 0.095 69.004 68.868 0.068 0.000 0.930 856 T HN 0.469 nan 8.240 nan 0.000 0.494 857 R N 2.209 122.745 120.500 0.061 0.000 2.912 857 R HA 0.503 4.843 4.340 -0.000 0.000 0.262 857 R C 0.646 176.966 176.300 0.033 0.000 1.057 857 R CA -1.030 55.062 56.100 -0.014 0.000 0.981 857 R CB 1.726 31.940 30.300 -0.144 0.000 1.201 857 R HN 0.730 nan 8.270 nan 0.000 0.484 858 N N -1.411 117.285 118.700 -0.007 0.000 2.849 858 N HA 0.076 4.815 4.740 -0.000 0.000 0.307 858 N C 0.438 175.965 175.510 0.028 0.000 1.370 858 N CA -0.458 52.596 53.050 0.006 0.000 0.790 858 N CB 0.338 38.816 38.487 -0.015 0.000 1.117 858 N HN 0.433 nan 8.380 nan 0.000 0.495 859 S N -1.129 114.579 115.700 0.014 0.000 2.556 859 S HA 0.204 4.674 4.470 -0.000 0.000 0.216 859 S C 1.522 176.127 174.600 0.008 0.000 0.970 859 S CA -0.428 57.784 58.200 0.020 0.000 0.912 859 S CB -0.322 62.887 63.200 0.016 0.000 0.790 859 S HN 0.454 nan 8.310 nan 0.000 0.504 860 L N 0.514 121.735 121.223 -0.003 0.000 2.253 860 L HA 0.379 4.719 4.340 -0.000 0.000 0.205 860 L C 1.942 178.796 176.870 -0.027 0.000 1.078 860 L CA 0.916 55.752 54.840 -0.007 0.000 0.805 860 L CB -0.128 41.930 42.059 -0.001 0.000 0.963 860 L HN 0.596 nan 8.230 nan 0.000 0.459 861 G N -0.760 108.007 108.800 -0.055 0.000 2.227 861 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.168 861 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.168 861 G C -0.306 174.538 174.900 -0.094 0.000 1.006 861 G CA -0.555 44.485 45.100 -0.100 0.000 0.684 861 G HN 0.247 nan 8.290 nan 0.000 0.489 862 N N 0.921 119.580 118.700 -0.068 0.000 2.483 862 N HA 0.408 5.148 4.740 -0.000 0.000 0.264 862 N C 0.608 176.049 175.510 -0.114 0.000 1.197 862 N CA -0.028 52.980 53.050 -0.070 0.000 0.927 862 N CB 1.617 40.078 38.487 -0.043 0.000 1.065 862 N HN 0.160 nan 8.380 nan 0.000 0.461 863 V N 2.963 122.777 119.914 -0.165 0.000 2.811 863 V HA 0.074 4.194 4.120 -0.000 0.000 0.302 863 V C 1.319 177.256 176.094 -0.261 0.000 1.063 863 V CA 0.100 62.223 62.300 -0.295 0.000 1.088 863 V CB 0.639 32.123 31.823 -0.565 0.000 0.982 863 V HN 0.578 nan 8.190 nan 0.000 0.485 864 I N 1.513 121.940 120.570 -0.239 0.000 4.433 864 I HA 0.282 4.452 4.170 -0.000 0.000 0.322 864 I C 0.523 176.546 176.117 -0.157 0.000 1.284 864 I CA 0.574 61.787 61.300 -0.145 0.000 1.269 864 I CB 0.148 38.105 38.000 -0.071 0.000 1.219 864 I HN 0.633 nan 8.210 nan 0.000 0.436 865 Q N -0.861 118.812 119.800 -0.212 0.000 2.472 865 Q HA 0.373 4.712 4.340 -0.000 0.000 0.281 865 Q C -0.668 175.202 176.000 -0.218 0.000 0.997 865 Q CA -0.463 55.261 55.803 -0.133 0.000 0.828 865 Q CB 2.655 31.417 28.738 0.041 0.000 1.443 865 Q HN -0.071 nan 8.270 nan 0.000 0.390 866 F N 0.236 120.219 119.950 0.056 0.000 2.714 866 F HA 0.343 4.870 4.527 -0.000 0.000 0.294 866 F C 0.660 176.498 175.800 0.063 0.000 1.120 866 F CA 0.462 58.493 58.000 0.051 0.000 1.398 866 F CB 0.898 39.919 39.000 0.036 0.000 1.120 866 F HN 0.276 nan 8.300 nan 0.000 0.589 867 I N -0.274 120.432 120.570 0.227 0.000 2.576 867 I HA 0.070 4.239 4.170 -0.000 0.000 0.279 867 I C -1.038 175.167 176.117 0.146 0.000 1.114 867 I CA -1.127 60.271 61.300 0.164 0.000 1.076 867 I CB 0.745 38.819 38.000 0.124 0.000 1.212 867 I HN -0.179 nan 8.210 nan 0.000 0.472 868 Y N 6.332 126.661 120.300 0.048 0.000 2.981 868 Y HA 0.050 4.600 4.550 -0.000 0.000 0.359 868 Y C 1.425 177.348 175.900 0.039 0.000 1.271 868 Y CA 1.510 59.629 58.100 0.032 0.000 1.617 868 Y CB 0.110 38.581 38.460 0.017 0.000 1.154 868 Y HN 0.881 nan 8.280 nan 0.000 0.570 869 G N 4.014 112.611 108.800 -0.339 0.000 2.189 869 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.267 869 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.267 869 G C 0.447 175.297 174.900 -0.084 0.000 0.975 869 G CA 0.507 45.400 45.100 -0.344 0.000 0.644 869 G HN 0.970 nan 8.290 nan 0.000 0.537 870 E N -1.221 118.967 120.200 -0.019 0.000 3.286 870 E HA -0.260 4.090 4.350 -0.000 0.000 0.292 870 E C 0.874 177.453 176.600 -0.035 0.000 0.928 870 E CA 1.319 57.727 56.400 0.012 0.000 0.982 870 E CB -0.916 28.802 29.700 0.030 0.000 1.500 870 E HN 0.907 nan 8.360 nan 0.000 0.441 871 D N -2.422 117.940 120.400 -0.064 0.000 2.337 871 D HA 0.082 4.722 4.640 -0.000 0.000 0.349 871 D C 1.167 177.428 176.300 -0.065 0.000 1.123 871 D CA 0.672 54.633 54.000 -0.064 0.000 0.887 871 D CB -0.449 40.292 40.800 -0.099 0.000 1.396 871 D HN 0.344 nan 8.370 nan 0.000 0.510 872 G N 1.016 109.775 108.800 -0.068 0.000 2.155 872 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.257 872 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.257 872 G C -0.002 174.850 174.900 -0.079 0.000 0.983 872 G CA 0.826 45.908 45.100 -0.030 0.000 0.676 872 G HN 0.376 nan 8.290 nan 0.000 0.528 873 M N 0.793 120.310 119.600 -0.138 0.000 2.318 873 M HA 0.530 5.010 4.480 -0.000 0.000 0.347 873 M C -0.051 176.220 176.300 -0.047 0.000 1.175 873 M CA -1.537 53.675 55.300 -0.145 0.000 1.075 873 M CB 1.364 33.853 32.600 -0.185 0.000 1.614 873 M HN 0.159 nan 8.290 nan 0.000 0.456 874 D N 2.313 122.741 120.400 0.048 0.000 2.316 874 D HA 0.437 5.077 4.640 -0.000 0.000 0.245 874 D C 0.955 177.348 176.300 0.156 0.000 1.171 874 D CA 0.313 54.422 54.000 0.181 0.000 0.856 874 D CB 1.028 41.992 40.800 0.274 0.000 1.090 874 D HN 0.708 nan 8.370 nan 0.000 0.476 875 A N 4.275 127.166 122.820 0.119 0.000 2.016 875 A HA -0.302 4.018 4.320 -0.000 0.000 0.225 875 A C 2.142 179.752 177.584 0.044 0.000 1.230 875 A CA 2.595 54.675 52.037 0.071 0.000 0.678 875 A CB -1.004 18.059 19.000 0.105 0.000 0.826 875 A HN 0.730 nan 8.150 nan 0.000 0.484 876 A N -1.460 121.362 122.820 0.002 0.000 1.972 876 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 876 A C 1.305 178.715 177.584 -0.290 0.000 1.169 876 A CA 1.121 53.046 52.037 -0.186 0.000 0.635 876 A CB -0.576 18.229 19.000 -0.326 0.000 0.810 876 A HN 0.726 nan 8.150 nan 0.000 0.446 877 H N -0.667 118.412 119.070 0.016 0.000 2.508 877 H HA 0.549 5.105 4.556 -0.000 0.000 0.224 877 H C -1.245 174.078 175.328 -0.008 0.000 1.723 877 H CA -0.069 55.983 56.048 0.006 0.000 1.251 877 H CB -0.387 29.349 29.762 -0.044 0.000 1.627 877 H HN 0.308 nan 8.280 nan 0.000 0.543 878 I N 1.614 122.244 120.570 0.101 0.000 2.667 878 I HA 0.129 4.299 4.170 -0.000 0.000 0.288 878 I C -0.556 175.627 176.117 0.109 0.000 1.267 878 I CA -0.418 60.931 61.300 0.081 0.000 1.055 878 I CB 2.338 40.380 38.000 0.070 0.000 1.294 878 I HN 0.245 nan 8.210 nan 0.000 0.429 879 E N 4.364 124.605 120.200 0.070 0.000 2.339 879 E HA 0.520 4.869 4.350 -0.000 0.000 0.262 879 E C -1.041 175.576 176.600 0.029 0.000 0.934 879 E CA -1.286 55.136 56.400 0.038 0.000 0.802 879 E CB 2.201 31.864 29.700 -0.062 0.000 1.275 879 E HN 0.331 nan 8.360 nan 0.000 0.427 880 K N 1.604 121.999 120.400 -0.009 0.000 2.322 880 K HA 0.147 4.467 4.320 -0.000 0.000 0.283 880 K C -0.486 176.098 176.600 -0.025 0.000 1.042 880 K CA 0.036 56.301 56.287 -0.036 0.000 0.958 880 K CB 0.598 33.039 32.500 -0.098 0.000 0.984 880 K HN 0.321 nan 8.250 nan 0.000 0.473 881 Q N 1.172 120.976 119.800 0.006 0.000 2.397 881 Q HA 0.224 4.563 4.340 -0.000 0.000 0.275 881 Q C -0.893 175.120 176.000 0.021 0.000 1.090 881 Q CA -0.769 55.050 55.803 0.027 0.000 0.809 881 Q CB 2.332 31.119 28.738 0.081 0.000 1.362 881 Q HN 0.735 nan 8.270 nan 0.000 0.431 882 S N 1.236 116.944 115.700 0.013 0.000 2.541 882 S HA 0.534 5.003 4.470 -0.000 0.000 0.283 882 S C -0.007 174.625 174.600 0.054 0.000 1.196 882 S CA -0.741 57.464 58.200 0.007 0.000 1.062 882 S CB 0.497 63.687 63.200 -0.018 0.000 1.009 882 S HN 0.554 nan 8.310 nan 0.000 0.502 883 L N 3.334 124.598 121.223 0.068 0.000 2.512 883 L HA 0.269 4.609 4.340 -0.000 0.000 0.247 883 L C 0.639 177.555 176.870 0.077 0.000 1.204 883 L CA -0.536 54.355 54.840 0.085 0.000 1.153 883 L CB -0.225 41.901 42.059 0.111 0.000 1.415 883 L HN 0.767 nan 8.230 nan 0.000 0.406 884 D N 0.355 120.811 120.400 0.092 0.000 2.200 884 D HA -0.226 4.414 4.640 -0.000 0.000 0.192 884 D C 1.676 178.054 176.300 0.129 0.000 1.008 884 D CA 1.838 55.914 54.000 0.127 0.000 0.872 884 D CB 0.093 41.011 40.800 0.197 0.000 0.923 884 D HN 0.425 nan 8.370 nan 0.000 0.447 885 T N 0.848 115.453 114.554 0.085 0.000 2.946 885 T HA -0.106 4.244 4.350 -0.000 0.000 0.271 885 T C 1.979 176.681 174.700 0.005 0.000 1.104 885 T CA 0.303 62.418 62.100 0.025 0.000 1.114 885 T CB 0.067 68.921 68.868 -0.023 0.000 0.867 885 T HN 0.232 nan 8.240 nan 0.000 0.513 886 I N 0.044 120.636 120.570 0.036 0.000 2.315 886 I HA 0.137 4.307 4.170 -0.000 0.000 0.233 886 I C 1.733 177.880 176.117 0.049 0.000 1.067 886 I CA 0.339 61.661 61.300 0.036 0.000 1.376 886 I CB -0.617 37.420 38.000 0.062 0.000 1.143 886 I HN 0.210 nan 8.210 nan 0.000 0.421 887 G N 0.193 109.018 108.800 0.041 0.000 2.444 887 G HA2 0.475 4.435 3.960 -0.000 0.000 0.268 887 G HA3 0.475 4.435 3.960 -0.000 0.000 0.268 887 G C -0.277 174.686 174.900 0.106 0.000 1.203 887 G CA 0.467 45.609 45.100 0.070 0.000 0.835 887 G HN 0.669 nan 8.290 nan 0.000 0.543 888 G N -0.342 108.541 108.800 0.139 0.000 2.402 888 G HA2 0.417 4.377 3.960 -0.000 0.000 0.666 888 G HA3 0.417 4.377 3.960 -0.000 0.000 0.666 888 G C -0.077 174.884 174.900 0.102 0.000 1.402 888 G CA -0.123 45.050 45.100 0.121 0.000 0.920 888 G HN 1.794 nan 8.290 nan 0.000 0.651 889 S N 0.480 116.235 115.700 0.092 0.000 2.560 889 S HA 0.245 4.715 4.470 -0.000 0.000 0.284 889 S C 1.039 175.690 174.600 0.085 0.000 1.327 889 S CA 0.603 58.845 58.200 0.070 0.000 1.055 889 S CB 1.338 64.578 63.200 0.066 0.000 0.868 889 S HN 0.564 nan 8.310 nan 0.000 0.506 890 D N 2.371 122.801 120.400 0.050 0.000 2.203 890 D HA -0.182 4.458 4.640 -0.000 0.000 0.199 890 D C 2.067 178.466 176.300 0.165 0.000 0.997 890 D CA 1.730 55.772 54.000 0.069 0.000 0.863 890 D CB -0.441 40.379 40.800 0.033 0.000 0.928 890 D HN 0.751 nan 8.370 nan 0.000 0.458 891 A N 1.638 124.534 122.820 0.128 0.000 1.828 891 A HA -0.084 4.236 4.320 -0.000 0.000 0.215 891 A C 2.471 180.151 177.584 0.161 0.000 1.203 891 A CA 2.456 54.571 52.037 0.131 0.000 0.614 891 A CB -1.083 17.970 19.000 0.088 0.000 0.844 891 A HN 0.229 nan 8.150 nan 0.000 0.445 892 A N -1.278 121.629 122.820 0.145 0.000 1.940 892 A HA -0.236 4.084 4.320 -0.000 0.000 0.221 892 A C 2.057 179.776 177.584 0.225 0.000 1.190 892 A CA 2.182 54.308 52.037 0.149 0.000 0.647 892 A CB -0.937 18.145 19.000 0.137 0.000 0.821 892 A HN 0.758 nan 8.150 nan 0.000 0.457 893 F N 0.451 120.466 119.950 0.110 0.000 2.043 893 F HA -0.211 4.316 4.527 -0.000 0.000 0.297 893 F C 2.292 178.228 175.800 0.227 0.000 1.121 893 F CA 2.377 60.462 58.000 0.142 0.000 1.199 893 F CB -0.562 38.459 39.000 0.036 0.000 0.968 893 F HN 0.409 nan 8.300 nan 0.000 0.478 894 E N 0.055 120.448 120.200 0.323 0.000 2.033 894 E HA -0.341 4.008 4.350 -0.000 0.000 0.199 894 E C 2.248 178.894 176.600 0.077 0.000 1.011 894 E CA 1.804 58.350 56.400 0.243 0.000 0.815 894 E CB -0.345 29.485 29.700 0.218 0.000 0.755 894 E HN 0.334 nan 8.360 nan 0.000 0.451 895 K N 0.437 120.861 120.400 0.040 0.000 2.360 895 K HA -0.187 4.133 4.320 -0.000 0.000 0.201 895 K C 2.049 178.602 176.600 -0.079 0.000 1.046 895 K CA 0.989 57.246 56.287 -0.050 0.000 0.940 895 K CB 0.095 32.579 32.500 -0.027 0.000 0.748 895 K HN -0.051 nan 8.250 nan 0.000 0.465 896 R N -1.241 119.234 120.500 -0.042 0.000 2.142 896 R HA 0.024 4.364 4.340 -0.000 0.000 0.204 896 R C 0.898 176.987 176.300 -0.352 0.000 1.059 896 R CA 0.533 56.520 56.100 -0.189 0.000 1.055 896 R CB 0.276 30.484 30.300 -0.154 0.000 0.976 896 R HN 0.171 nan 8.270 nan 0.000 0.483 897 Y N -0.406 119.726 120.300 -0.281 0.000 2.467 897 Y HA 0.321 4.870 4.550 -0.000 0.000 0.250 897 Y C 0.166 176.070 175.900 0.006 0.000 1.155 897 Y CA -0.468 57.485 58.100 -0.244 0.000 1.249 897 Y CB 0.307 38.452 38.460 -0.525 0.000 1.146 897 Y HN -0.176 nan 8.280 nan 0.000 0.524 898 R N 1.213 121.835 120.500 0.203 0.000 2.297 898 R HA 0.580 4.920 4.340 -0.000 0.000 0.308 898 R C -1.534 174.734 176.300 -0.054 0.000 1.029 898 R CA -0.454 55.708 56.100 0.103 0.000 0.929 898 R CB 0.532 30.782 30.300 -0.082 0.000 1.046 898 R HN -0.071 nan 8.270 nan 0.000 0.461 899 V N 4.779 124.658 119.914 -0.058 0.000 2.623 899 V HA 0.335 4.455 4.120 -0.000 0.000 0.304 899 V C -1.196 174.867 176.094 -0.051 0.000 1.054 899 V CA -0.808 61.461 62.300 -0.052 0.000 0.882 899 V CB 1.999 33.804 31.823 -0.031 0.000 1.002 899 V HN 0.791 nan 8.190 nan 0.000 0.424 900 D N 4.432 124.823 120.400 -0.016 0.000 2.505 900 D HA 0.362 5.002 4.640 -0.000 0.000 0.250 900 D C 0.356 176.658 176.300 0.003 0.000 1.164 900 D CA -0.379 53.616 54.000 -0.008 0.000 0.870 900 D CB 2.018 42.830 40.800 0.020 0.000 1.160 900 D HN 0.445 nan 8.370 nan 0.000 0.549 901 L N 3.515 124.731 121.223 -0.012 0.000 2.645 901 L HA 0.173 4.513 4.340 -0.000 0.000 0.235 901 L C 0.640 177.502 176.870 -0.013 0.000 1.150 901 L CA 0.383 55.217 54.840 -0.011 0.000 0.911 901 L CB -0.092 41.958 42.059 -0.016 0.000 1.077 901 L HN 0.295 nan 8.230 nan 0.000 0.438 902 L N 0.390 121.603 121.223 -0.017 0.000 2.732 902 L HA 0.386 4.726 4.340 -0.000 0.000 0.246 902 L C -0.493 176.356 176.870 -0.035 0.000 1.407 902 L CA -0.091 54.734 54.840 -0.025 0.000 0.861 902 L CB 0.049 42.091 42.059 -0.028 0.000 1.161 902 L HN 0.205 nan 8.230 nan 0.000 0.510 903 N N -0.666 118.017 118.700 -0.029 0.000 4.389 903 N HA -0.022 4.718 4.740 -0.000 0.000 0.182 903 N C 0.414 175.911 175.510 -0.021 0.000 1.101 903 N CA -0.089 52.930 53.050 -0.050 0.000 1.036 903 N CB 1.132 39.558 38.487 -0.102 0.000 1.596 903 N HN 0.066 nan 8.380 nan 0.000 0.880 904 T N 0.798 115.337 114.554 -0.025 0.000 2.946 904 T HA -0.124 4.226 4.350 -0.000 0.000 0.270 904 T C 0.365 175.075 174.700 0.016 0.000 1.129 904 T CA 1.170 63.265 62.100 -0.007 0.000 1.103 904 T CB -0.111 68.749 68.868 -0.014 0.000 0.839 904 T HN 0.555 nan 8.240 nan 0.000 0.544 905 D N -0.646 119.774 120.400 0.033 0.000 2.474 905 D HA 0.065 4.705 4.640 -0.000 0.000 0.213 905 D C 0.467 176.988 176.300 0.367 0.000 1.120 905 D CA 0.210 54.288 54.000 0.130 0.000 0.836 905 D CB 0.351 41.207 40.800 0.093 0.000 1.019 905 D HN 0.380 nan 8.370 nan 0.000 0.507 906 H N -0.226 118.822 119.070 -0.037 0.000 2.567 906 H HA 0.324 4.880 4.556 -0.000 0.000 0.267 906 H C 0.223 175.522 175.328 -0.049 0.000 1.148 906 H CA -0.189 55.832 56.048 -0.046 0.000 1.031 906 H CB 0.460 30.188 29.762 -0.056 0.000 1.691 906 H HN -0.154 nan 8.280 nan 0.000 0.588 907 T N -0.128 114.462 114.554 0.059 0.000 2.864 907 T HA 0.485 4.835 4.350 -0.000 0.000 0.276 907 T C 0.211 174.903 174.700 -0.014 0.000 1.006 907 T CA -0.776 61.330 62.100 0.011 0.000 0.970 907 T CB 1.069 69.940 68.868 0.005 0.000 1.420 907 T HN 0.029 nan 8.240 nan 0.000 0.601 908 L N 2.316 123.526 121.223 -0.023 0.000 2.272 908 L HA 0.339 4.679 4.340 -0.000 0.000 0.284 908 L C 0.407 177.263 176.870 -0.024 0.000 1.045 908 L CA -0.828 53.993 54.840 -0.032 0.000 0.842 908 L CB 0.451 42.486 42.059 -0.040 0.000 1.224 908 L HN 0.654 nan 8.230 nan 0.000 0.430 909 D N 6.736 127.123 120.400 -0.021 0.000 2.648 909 D HA -0.069 4.571 4.640 -0.000 0.000 0.229 909 D C -1.295 174.996 176.300 -0.015 0.000 1.119 909 D CA -0.734 53.257 54.000 -0.015 0.000 0.850 909 D CB 1.413 42.205 40.800 -0.015 0.000 1.169 909 D HN 0.352 nan 8.370 nan 0.000 0.489 910 P HA -0.155 nan 4.420 nan 0.000 0.229 910 P C 1.060 178.354 177.300 -0.010 0.000 1.150 910 P CA 0.766 63.859 63.100 -0.012 0.000 0.765 910 P CB -0.060 31.635 31.700 -0.009 0.000 0.783 911 S N -1.956 113.739 115.700 -0.008 0.000 2.555 911 S HA 0.008 4.478 4.470 -0.000 0.000 0.230 911 S C 1.585 176.183 174.600 -0.003 0.000 0.978 911 S CA 0.194 58.392 58.200 -0.003 0.000 0.934 911 S CB -0.920 62.280 63.200 -0.001 0.000 0.766 911 S HN 0.096 nan 8.310 nan 0.000 0.533 912 L N -0.195 121.021 121.223 -0.011 0.000 2.597 912 L HA 0.433 4.773 4.340 -0.000 0.000 0.188 912 L C 0.748 177.607 176.870 -0.018 0.000 1.333 912 L CA -0.671 54.160 54.840 -0.014 0.000 1.543 912 L CB -0.836 41.207 42.059 -0.027 0.000 1.504 912 L HN 0.291 nan 8.230 nan 0.000 0.813 913 L N 1.604 122.811 121.223 -0.027 0.000 2.513 913 L HA -0.041 4.299 4.340 -0.000 0.000 0.272 913 L C 1.185 178.041 176.870 -0.024 0.000 1.187 913 L CA 0.571 55.392 54.840 -0.032 0.000 0.895 913 L CB 0.084 42.118 42.059 -0.041 0.000 1.147 913 L HN 0.362 nan 8.230 nan 0.000 0.483 914 E N 2.372 122.559 120.200 -0.021 0.000 2.033 914 E HA -0.202 4.148 4.350 -0.000 0.000 0.199 914 E C 0.826 177.416 176.600 -0.016 0.000 1.011 914 E CA 1.795 58.185 56.400 -0.015 0.000 0.815 914 E CB 0.037 29.729 29.700 -0.014 0.000 0.755 914 E HN 0.881 nan 8.360 nan 0.000 0.451 915 S N -0.602 115.085 115.700 -0.021 0.000 3.456 915 S HA 0.238 4.708 4.470 -0.000 0.000 0.229 915 S C 0.882 175.469 174.600 -0.022 0.000 1.416 915 S CA -0.165 58.023 58.200 -0.020 0.000 1.197 915 S CB 0.696 63.883 63.200 -0.022 0.000 1.201 915 S HN 0.366 nan 8.310 nan 0.000 0.479 916 G N 2.203 110.991 108.800 -0.020 0.000 2.490 916 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.211 916 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.211 916 G C 1.561 176.451 174.900 -0.017 0.000 1.159 916 G CA 0.409 45.497 45.100 -0.021 0.000 0.819 916 G HN 0.728 nan 8.290 nan 0.000 0.539 917 S N 1.637 117.328 115.700 -0.014 0.000 2.419 917 S HA -0.162 4.308 4.470 -0.000 0.000 0.235 917 S C 1.798 176.391 174.600 -0.012 0.000 1.019 917 S CA 1.717 59.910 58.200 -0.012 0.000 0.982 917 S CB -0.373 62.821 63.200 -0.010 0.000 0.789 917 S HN 0.705 nan 8.310 nan 0.000 0.490 918 E N 0.441 120.633 120.200 -0.013 0.000 2.403 918 E HA 0.296 4.646 4.350 -0.000 0.000 0.188 918 E C 1.210 177.802 176.600 -0.014 0.000 1.056 918 E CA -0.004 56.389 56.400 -0.013 0.000 0.892 918 E CB -0.247 29.446 29.700 -0.012 0.000 1.049 918 E HN 0.624 nan 8.360 nan 0.000 0.465 919 I N 0.192 120.752 120.570 -0.016 0.000 4.124 919 I HA 0.078 4.248 4.170 -0.000 0.000 0.311 919 I C 1.015 177.123 176.117 -0.016 0.000 1.259 919 I CA -0.510 60.780 61.300 -0.017 0.000 1.315 919 I CB 0.484 38.472 38.000 -0.021 0.000 1.223 919 I HN 0.215 nan 8.210 nan 0.000 0.441 920 L N 2.963 124.177 121.223 -0.014 0.000 2.776 920 L HA -0.099 4.240 4.340 -0.000 0.000 0.283 920 L C 1.180 178.041 176.870 -0.013 0.000 1.194 920 L CA 1.324 56.156 54.840 -0.013 0.000 0.947 920 L CB 0.002 42.054 42.059 -0.011 0.000 1.255 920 L HN 0.593 nan 8.230 nan 0.000 0.481 921 G N 2.591 111.383 108.800 -0.014 0.000 2.299 921 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.237 921 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.237 921 G C 0.329 175.220 174.900 -0.014 0.000 1.027 921 G CA 0.177 45.269 45.100 -0.015 0.000 0.619 921 G HN 0.802 nan 8.290 nan 0.000 0.513 922 D N 0.694 121.085 120.400 -0.014 0.000 2.730 922 D HA 0.058 4.698 4.640 -0.000 0.000 0.225 922 D C 1.494 177.786 176.300 -0.013 0.000 1.107 922 D CA 0.574 54.566 54.000 -0.014 0.000 0.837 922 D CB 0.379 41.170 40.800 -0.015 0.000 1.171 922 D HN 0.270 nan 8.370 nan 0.000 0.498 923 L N 3.639 124.855 121.223 -0.012 0.000 2.470 923 L HA 0.024 4.364 4.340 -0.000 0.000 0.219 923 L C 2.280 179.144 176.870 -0.010 0.000 1.071 923 L CA 0.115 54.948 54.840 -0.011 0.000 0.850 923 L CB 0.124 42.177 42.059 -0.011 0.000 1.040 923 L HN 0.354 nan 8.230 nan 0.000 0.475 924 K N -0.028 120.366 120.400 -0.010 0.000 2.217 924 K HA -0.060 4.260 4.320 -0.000 0.000 0.202 924 K C 1.924 178.518 176.600 -0.009 0.000 1.051 924 K CA 0.851 57.133 56.287 -0.009 0.000 0.952 924 K CB 0.171 32.666 32.500 -0.009 0.000 0.736 924 K HN 0.246 nan 8.250 nan 0.000 0.453 925 L N 0.631 121.847 121.223 -0.011 0.000 2.007 925 L HA -0.143 4.197 4.340 -0.000 0.000 0.205 925 L C 2.281 179.145 176.870 -0.009 0.000 1.073 925 L CA 0.832 55.664 54.840 -0.012 0.000 0.744 925 L CB -0.487 41.563 42.059 -0.016 0.000 0.898 925 L HN 0.153 nan 8.230 nan 0.000 0.435 926 Q N 0.054 119.848 119.800 -0.010 0.000 2.534 926 Q HA -0.187 4.153 4.340 -0.000 0.000 0.218 926 Q C 2.008 178.006 176.000 -0.003 0.000 0.989 926 Q CA 1.096 56.893 55.803 -0.009 0.000 0.903 926 Q CB -0.424 28.306 28.738 -0.013 0.000 0.942 926 Q HN 0.409 nan 8.270 nan 0.000 0.501 927 V N -0.519 119.395 119.914 -0.001 0.000 2.599 927 V HA -0.144 3.976 4.120 -0.000 0.000 0.245 927 V C 2.202 178.302 176.094 0.009 0.000 1.046 927 V CA 0.783 63.085 62.300 0.004 0.000 1.065 927 V CB -0.250 31.574 31.823 0.001 0.000 0.703 927 V HN 0.251 nan 8.190 nan 0.000 0.464 928 L N -0.785 120.441 121.223 0.005 0.000 2.034 928 L HA -0.054 4.286 4.340 -0.000 0.000 0.203 928 L C 2.396 179.277 176.870 0.018 0.000 1.074 928 L CA 1.009 55.854 54.840 0.008 0.000 0.748 928 L CB -0.569 41.489 42.059 -0.001 0.000 0.905 928 L HN 0.254 nan 8.230 nan 0.000 0.439 929 L N 0.103 121.333 121.223 0.012 0.000 2.351 929 L HA -0.266 4.074 4.340 -0.000 0.000 0.220 929 L C 1.855 178.751 176.870 0.044 0.000 1.127 929 L CA 1.760 56.612 54.840 0.020 0.000 0.786 929 L CB -0.912 41.148 42.059 0.002 0.000 0.914 929 L HN 0.379 nan 8.230 nan 0.000 0.443 930 D N -1.112 119.311 120.400 0.039 0.000 2.301 930 D HA -0.075 4.565 4.640 -0.000 0.000 0.206 930 D C 1.950 178.304 176.300 0.089 0.000 0.979 930 D CA 0.315 54.350 54.000 0.058 0.000 0.874 930 D CB 0.483 41.301 40.800 0.030 0.000 0.968 930 D HN 0.396 nan 8.370 nan 0.000 0.510 931 E N 0.976 121.212 120.200 0.060 0.000 2.031 931 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 931 E C 1.847 178.489 176.600 0.069 0.000 0.994 931 E CA 0.721 57.154 56.400 0.055 0.000 0.800 931 E CB 0.036 29.754 29.700 0.030 0.000 0.752 931 E HN 0.330 nan 8.360 nan 0.000 0.447 932 E N 0.248 120.490 120.200 0.069 0.000 2.068 932 E HA -0.298 4.052 4.350 -0.000 0.000 0.207 932 E C 2.009 178.670 176.600 0.102 0.000 1.032 932 E CA 1.632 58.075 56.400 0.071 0.000 0.839 932 E CB -0.296 29.448 29.700 0.073 0.000 0.758 932 E HN 0.299 nan 8.360 nan 0.000 0.457 933 Y N 0.893 121.205 120.300 0.020 0.000 2.145 933 Y HA -0.109 4.440 4.550 -0.000 0.000 0.286 933 Y C 1.944 177.877 175.900 0.054 0.000 1.145 933 Y CA 1.820 59.940 58.100 0.032 0.000 1.148 933 Y CB 0.116 38.593 38.460 0.029 0.000 0.981 933 Y HN -0.066 nan 8.280 nan 0.000 0.507 934 K N -0.163 120.371 120.400 0.224 0.000 2.585 934 K HA -0.196 4.124 4.320 -0.000 0.000 0.194 934 K C 1.594 178.223 176.600 0.049 0.000 1.037 934 K CA 0.960 57.330 56.287 0.138 0.000 0.964 934 K CB 0.040 32.608 32.500 0.115 0.000 0.787 934 K HN 0.351 nan 8.250 nan 0.000 0.488 935 Q N 0.423 120.233 119.800 0.016 0.000 2.499 935 Q HA 0.099 4.439 4.340 -0.000 0.000 0.213 935 Q C 1.698 177.669 176.000 -0.047 0.000 0.929 935 Q CA 0.564 56.358 55.803 -0.015 0.000 0.904 935 Q CB -0.017 28.713 28.738 -0.013 0.000 1.052 935 Q HN 0.155 nan 8.270 nan 0.000 0.589 936 L N 0.378 121.557 121.223 -0.074 0.000 2.137 936 L HA -0.190 4.149 4.340 -0.000 0.000 0.213 936 L C 2.174 179.022 176.870 -0.037 0.000 1.085 936 L CA 1.205 55.991 54.840 -0.090 0.000 0.760 936 L CB -0.781 41.159 42.059 -0.199 0.000 0.893 936 L HN 0.122 nan 8.230 nan 0.000 0.434 937 V N -0.015 119.854 119.914 -0.075 0.000 2.379 937 V HA -0.248 3.872 4.120 -0.000 0.000 0.245 937 V C 2.611 178.663 176.094 -0.070 0.000 1.044 937 V CA 1.794 64.046 62.300 -0.081 0.000 1.036 937 V CB -0.521 31.270 31.823 -0.053 0.000 0.664 937 V HN 0.450 nan 8.190 nan 0.000 0.453 938 K N 0.177 120.557 120.400 -0.034 0.000 2.063 938 K HA -0.262 4.058 4.320 -0.000 0.000 0.208 938 K C 1.753 178.353 176.600 -0.001 0.000 1.048 938 K CA 2.166 58.447 56.287 -0.009 0.000 0.928 938 K CB -0.253 32.247 32.500 0.000 0.000 0.713 938 K HN 0.444 nan 8.250 nan 0.000 0.442 939 D N 0.253 120.629 120.400 -0.039 0.000 2.120 939 D HA -0.197 4.443 4.640 -0.000 0.000 0.191 939 D C 1.906 178.200 176.300 -0.010 0.000 0.994 939 D CA 1.459 55.425 54.000 -0.057 0.000 0.838 939 D CB -0.244 40.501 40.800 -0.092 0.000 0.976 939 D HN 0.173 nan 8.370 nan 0.000 0.447 940 R N 0.556 121.010 120.500 -0.076 0.000 2.196 940 R HA -0.254 4.086 4.340 -0.000 0.000 0.244 940 R C 1.988 178.265 176.300 -0.037 0.000 1.121 940 R CA 2.205 58.232 56.100 -0.122 0.000 0.930 940 R CB -0.009 30.084 30.300 -0.345 0.000 0.890 940 R HN 0.031 nan 8.270 nan 0.000 0.435 941 K N -0.183 120.191 120.400 -0.044 0.000 2.074 941 K HA -0.206 4.114 4.320 -0.000 0.000 0.209 941 K C 1.980 178.602 176.600 0.036 0.000 1.048 941 K CA 1.794 58.070 56.287 -0.018 0.000 0.926 941 K CB -0.758 31.722 32.500 -0.033 0.000 0.713 941 K HN 0.333 nan 8.250 nan 0.000 0.444 942 F N 1.879 121.778 119.950 -0.085 0.000 2.026 942 F HA -0.223 4.304 4.527 -0.000 0.000 0.296 942 F C 2.135 177.872 175.800 -0.105 0.000 1.133 942 F CA 1.346 59.290 58.000 -0.094 0.000 1.188 942 F CB -0.307 38.637 39.000 -0.092 0.000 0.968 942 F HN -0.135 nan 8.300 nan 0.000 0.476 943 L N 0.387 121.877 121.223 0.445 0.000 2.021 943 L HA -0.300 4.040 4.340 -0.000 0.000 0.215 943 L C 2.449 179.394 176.870 0.125 0.000 1.074 943 L CA 1.709 56.722 54.840 0.289 0.000 0.760 943 L CB -0.859 41.337 42.059 0.228 0.000 0.889 943 L HN 0.161 nan 8.230 nan 0.000 0.433 944 R N -0.087 120.472 120.500 0.097 0.000 2.377 944 R HA -0.116 4.224 4.340 -0.000 0.000 0.207 944 R C 1.486 177.782 176.300 -0.007 0.000 1.075 944 R CA 0.623 56.777 56.100 0.090 0.000 1.035 944 R CB -0.103 30.250 30.300 0.090 0.000 0.857 944 R HN 0.521 nan 8.270 nan 0.000 0.475 945 E N -0.701 119.425 120.200 -0.123 0.000 2.476 945 E HA 0.019 4.369 4.350 -0.000 0.000 0.199 945 E C 1.126 177.536 176.600 -0.316 0.000 1.021 945 E CA 0.001 56.266 56.400 -0.226 0.000 0.907 945 E CB 0.820 30.323 29.700 -0.329 0.000 0.974 945 E HN 0.047 nan 8.360 nan 0.000 0.489 946 V N -0.188 119.506 119.914 -0.366 0.000 2.806 946 V HA 0.086 4.206 4.120 -0.000 0.000 0.239 946 V C 0.245 175.996 176.094 -0.572 0.000 1.113 946 V CA 0.674 62.625 62.300 -0.582 0.000 1.137 946 V CB 0.281 31.609 31.823 -0.825 0.000 0.865 946 V HN 0.091 nan 8.190 nan 0.000 0.482 947 F N 0.337 120.206 119.950 -0.135 0.000 2.300 947 F HA 0.360 4.887 4.527 -0.000 0.000 0.364 947 F C 1.099 176.902 175.800 0.005 0.000 1.090 947 F CA -0.412 57.541 58.000 -0.079 0.000 1.200 947 F CB 0.887 39.858 39.000 -0.049 0.000 1.493 947 F HN -0.157 nan 8.300 nan 0.000 0.518 948 V N 0.240 120.234 119.914 0.133 0.000 2.490 948 V HA -0.258 3.862 4.120 -0.000 0.000 0.250 948 V C 1.863 178.073 176.094 0.194 0.000 1.061 948 V CA 1.607 63.984 62.300 0.129 0.000 1.064 948 V CB -0.316 31.540 31.823 0.054 0.000 0.670 948 V HN 0.621 nan 8.190 nan 0.000 0.461 949 D N 0.778 121.276 120.400 0.164 0.000 2.158 949 D HA -0.107 4.533 4.640 -0.000 0.000 0.197 949 D C 1.922 178.200 176.300 -0.036 0.000 0.995 949 D CA 2.003 56.068 54.000 0.109 0.000 0.846 949 D CB -0.222 40.642 40.800 0.107 0.000 0.941 949 D HN 0.645 nan 8.370 nan 0.000 0.456 950 G N 0.987 109.734 108.800 -0.088 0.000 2.134 950 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.209 950 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.209 950 G C 0.055 174.774 174.900 -0.302 0.000 0.993 950 G CA 0.210 44.987 45.100 -0.537 0.000 0.669 950 G HN 0.288 nan 8.290 nan 0.000 0.519 951 E N 0.570 120.732 120.200 -0.064 0.000 2.257 951 E HA 0.701 5.051 4.350 -0.000 0.000 0.278 951 E C 1.108 177.709 176.600 0.002 0.000 1.049 951 E CA 0.614 56.960 56.400 -0.089 0.000 0.876 951 E CB 0.815 30.458 29.700 -0.094 0.000 1.035 951 E HN 0.648 nan 8.360 nan 0.000 0.419 952 A N 5.070 127.820 122.820 -0.115 0.000 2.252 952 A HA 0.114 4.434 4.320 -0.000 0.000 0.213 952 A C 0.276 177.816 177.584 -0.074 0.000 1.188 952 A CA -0.195 51.828 52.037 -0.024 0.000 0.863 952 A CB 0.025 19.008 19.000 -0.027 0.000 0.893 952 A HN 0.556 nan 8.150 nan 0.000 0.495 953 N N 0.025 118.485 118.700 -0.400 0.000 2.458 953 N HA 0.380 5.120 4.740 -0.000 0.000 0.270 953 N C -1.374 173.566 175.510 -0.950 0.000 1.102 953 N CA 0.398 53.172 53.050 -0.460 0.000 0.967 953 N CB 0.573 38.812 38.487 -0.415 0.000 1.078 953 N HN 0.474 nan 8.380 nan 0.000 0.471 954 W N 1.233 122.422 121.300 -0.186 0.000 3.042 954 W HA 0.359 5.018 4.660 -0.000 0.000 0.342 954 W C -2.245 174.237 176.519 -0.060 0.000 1.240 954 W CA -1.377 55.875 57.345 -0.156 0.000 1.166 954 W CB 0.935 30.269 29.460 -0.209 0.000 1.469 954 W HN 0.279 nan 8.180 nan 0.000 0.579 955 P HA 0.423 nan 4.420 nan 0.000 0.287 955 P C -1.071 176.322 177.300 0.156 0.000 1.294 955 P CA 0.304 63.508 63.100 0.174 0.000 0.776 955 P CB 1.237 33.061 31.700 0.207 0.000 0.889 956 L N 5.227 126.516 121.223 0.110 0.000 2.506 956 L HA 0.491 4.831 4.340 -0.000 0.000 0.257 956 L C -2.446 174.433 176.870 0.015 0.000 0.964 956 L CA -2.452 52.434 54.840 0.077 0.000 0.836 956 L CB 3.480 45.635 42.059 0.159 0.000 1.384 956 L HN 0.182 nan 8.230 nan 0.000 0.410 957 P HA 0.166 nan 4.420 nan 0.000 0.274 957 P C -0.601 176.612 177.300 -0.144 0.000 1.256 957 P CA -0.031 62.972 63.100 -0.161 0.000 0.795 957 P CB 1.217 32.712 31.700 -0.342 0.000 1.038 958 V N -0.851 119.014 119.914 -0.081 0.000 4.697 958 V HA -0.218 3.902 4.120 -0.000 0.000 0.409 958 V C 0.687 176.826 176.094 0.076 0.000 0.683 958 V CA 0.249 62.553 62.300 0.006 0.000 1.630 958 V CB -2.119 29.733 31.823 0.048 0.000 1.964 958 V HN 0.899 nan 8.190 nan 0.000 0.478 959 N N 4.515 123.238 118.700 0.039 0.000 2.416 959 N HA 0.172 4.912 4.740 -0.000 0.000 0.271 959 N C 0.952 176.481 175.510 0.030 0.000 1.245 959 N CA 0.264 53.331 53.050 0.029 0.000 0.940 959 N CB 0.735 39.211 38.487 -0.019 0.000 1.175 959 N HN 0.720 nan 8.380 nan 0.000 0.483 960 I N 3.261 123.865 120.570 0.056 0.000 2.277 960 I HA -0.194 3.976 4.170 -0.000 0.000 0.243 960 I C 2.493 178.589 176.117 -0.035 0.000 1.094 960 I CA 0.377 61.687 61.300 0.017 0.000 1.393 960 I CB -0.229 37.791 38.000 0.033 0.000 1.078 960 I HN 0.586 nan 8.210 nan 0.000 0.417 961 R N 1.471 121.958 120.500 -0.021 0.000 2.159 961 R HA -0.278 4.061 4.340 -0.000 0.000 0.249 961 R C 2.413 178.666 176.300 -0.079 0.000 1.136 961 R CA 2.173 58.246 56.100 -0.045 0.000 0.951 961 R CB -0.293 29.995 30.300 -0.020 0.000 0.876 961 R HN 0.292 nan 8.270 nan 0.000 0.440 962 R N -0.140 120.323 120.500 -0.063 0.000 2.073 962 R HA -0.032 4.308 4.340 -0.000 0.000 0.229 962 R C 2.437 178.702 176.300 -0.058 0.000 1.120 962 R CA 1.100 57.155 56.100 -0.074 0.000 0.967 962 R CB -0.327 29.947 30.300 -0.044 0.000 0.862 962 R HN 0.302 nan 8.270 nan 0.000 0.436 963 I N 1.342 121.885 120.570 -0.044 0.000 2.290 963 I HA -0.324 3.846 4.170 -0.000 0.000 0.253 963 I C 1.943 178.060 176.117 -0.001 0.000 1.112 963 I CA 1.594 62.871 61.300 -0.037 0.000 1.377 963 I CB -0.370 37.576 38.000 -0.089 0.000 1.060 963 I HN 0.187 nan 8.210 nan 0.000 0.428 964 I N 0.060 120.576 120.570 -0.091 0.000 2.270 964 I HA -0.216 3.953 4.170 -0.000 0.000 0.239 964 I C 2.474 178.535 176.117 -0.093 0.000 1.080 964 I CA 0.972 62.184 61.300 -0.146 0.000 1.383 964 I CB -1.481 36.285 38.000 -0.389 0.000 1.097 964 I HN 0.297 nan 8.210 nan 0.000 0.420 965 Q N 0.845 120.553 119.800 -0.152 0.000 2.224 965 Q HA -0.268 4.072 4.340 -0.000 0.000 0.213 965 Q C 1.882 177.791 176.000 -0.153 0.000 0.998 965 Q CA 1.754 57.415 55.803 -0.237 0.000 0.895 965 Q CB -0.359 28.108 28.738 -0.452 0.000 0.926 965 Q HN 0.587 nan 8.270 nan 0.000 0.417 966 N N 0.383 119.071 118.700 -0.020 0.000 2.109 966 N HA -0.078 4.662 4.740 -0.000 0.000 0.188 966 N C 1.837 177.392 175.510 0.076 0.000 1.034 966 N CA 1.217 54.318 53.050 0.085 0.000 0.846 966 N CB -0.528 38.101 38.487 0.238 0.000 1.010 966 N HN 0.229 nan 8.380 nan 0.000 0.425 967 A N 2.306 125.262 122.820 0.225 0.000 1.958 967 A HA -0.252 4.068 4.320 -0.000 0.000 0.221 967 A C 2.170 179.763 177.584 0.014 0.000 1.178 967 A CA 1.457 53.546 52.037 0.087 0.000 0.642 967 A CB -0.577 18.570 19.000 0.245 0.000 0.816 967 A HN 0.320 nan 8.150 nan 0.000 0.453 968 Q N -0.559 119.242 119.800 0.003 0.000 1.895 968 Q HA -0.285 4.055 4.340 -0.000 0.000 0.217 968 Q C 2.271 178.269 176.000 -0.004 0.000 1.003 968 Q CA 2.142 57.945 55.803 -0.000 0.000 0.871 968 Q CB -0.623 28.118 28.738 0.005 0.000 0.941 968 Q HN 1.026 nan 8.270 nan 0.000 0.421 969 Q N -0.108 119.686 119.800 -0.010 0.000 2.515 969 Q HA 0.008 4.347 4.340 -0.000 0.000 0.212 969 Q C 1.059 176.899 176.000 -0.267 0.000 0.970 969 Q CA 1.163 56.916 55.803 -0.083 0.000 0.941 969 Q CB 0.016 28.766 28.738 0.021 0.000 0.998 969 Q HN 0.118 nan 8.270 nan 0.000 0.518 970 T N -0.421 114.013 114.554 -0.200 0.000 3.100 970 T HA 0.127 4.477 4.350 -0.000 0.000 0.253 970 T C -0.203 174.136 174.700 -0.601 0.000 1.118 970 T CA 0.382 62.247 62.100 -0.391 0.000 1.058 970 T CB 0.031 68.634 68.868 -0.442 0.000 0.953 970 T HN 0.331 nan 8.240 nan 0.000 0.515 971 F N 0.173 119.883 119.950 -0.400 0.000 2.772 971 F HA 0.307 4.834 4.527 -0.000 0.000 0.316 971 F C 0.289 176.019 175.800 -0.117 0.000 1.114 971 F CA -1.031 56.817 58.000 -0.254 0.000 1.191 971 F CB 0.004 38.883 39.000 -0.203 0.000 1.065 971 F HN 0.122 nan 8.300 nan 0.000 0.534 972 H N 0.441 119.530 119.070 0.032 0.000 2.591 972 H HA -0.170 4.386 4.556 -0.000 0.000 0.325 972 H C -0.036 175.293 175.328 0.002 0.000 1.096 972 H CA 0.160 56.211 56.048 0.005 0.000 1.108 972 H CB -1.268 28.483 29.762 -0.019 0.000 1.590 972 H HN 0.093 nan 8.280 nan 0.000 0.399 973 I N 3.058 123.655 120.570 0.046 0.000 2.529 973 I HA 0.007 4.177 4.170 -0.000 0.000 0.284 973 I C 0.851 176.884 176.117 -0.140 0.000 1.082 973 I CA -0.199 61.078 61.300 -0.040 0.000 1.406 973 I CB 0.812 38.757 38.000 -0.092 0.000 1.405 973 I HN 0.232 nan 8.210 nan 0.000 0.548 974 D N 5.533 125.866 120.400 -0.111 0.000 2.414 974 D HA 0.133 4.772 4.640 -0.000 0.000 0.232 974 D C 0.482 176.725 176.300 -0.095 0.000 1.070 974 D CA -0.439 53.498 54.000 -0.104 0.000 0.839 974 D CB 0.612 41.405 40.800 -0.012 0.000 1.079 974 D HN 0.497 nan 8.370 nan 0.000 0.521 975 H N 1.393 120.492 119.070 0.048 0.000 2.568 975 H HA -0.081 4.475 4.556 -0.000 0.000 0.285 975 H C 1.484 176.827 175.328 0.024 0.000 1.048 975 H CA 1.285 57.355 56.048 0.037 0.000 1.197 975 H CB -0.206 29.578 29.762 0.037 0.000 1.343 975 H HN 0.637 nan 8.280 nan 0.000 0.614 976 T N -2.211 112.402 114.554 0.099 0.000 3.115 976 T HA 0.047 4.397 4.350 -0.000 0.000 0.235 976 T C 1.035 175.759 174.700 0.040 0.000 0.999 976 T CA -0.352 61.787 62.100 0.065 0.000 1.276 976 T CB 0.515 69.412 68.868 0.049 0.000 0.967 976 T HN 0.025 nan 8.240 nan 0.000 0.420 977 K N 3.257 123.674 120.400 0.027 0.000 2.380 977 K HA 0.235 4.555 4.320 -0.000 0.000 0.267 977 K C -2.096 174.514 176.600 0.017 0.000 0.990 977 K CA -1.324 54.974 56.287 0.018 0.000 0.946 977 K CB 0.124 32.632 32.500 0.013 0.000 0.937 977 K HN 0.393 nan 8.250 nan 0.000 0.491 978 P HA -0.034 nan 4.420 nan 0.000 0.275 978 P C -0.115 177.186 177.300 0.003 0.000 1.270 978 P CA -0.257 62.847 63.100 0.006 0.000 0.791 978 P CB 0.882 32.582 31.700 -0.000 0.000 1.089 979 S N -0.747 114.950 115.700 -0.005 0.000 2.481 979 S HA 0.241 4.711 4.470 -0.000 0.000 0.267 979 S C 0.250 174.840 174.600 -0.017 0.000 1.174 979 S CA 0.125 58.318 58.200 -0.011 0.000 1.027 979 S CB -0.150 63.037 63.200 -0.022 0.000 1.117 979 S HN 0.715 nan 8.310 nan 0.000 0.495 980 D N -0.023 120.360 120.400 -0.028 0.000 2.936 980 D HA 0.102 4.741 4.640 -0.000 0.000 0.297 980 D C -0.783 175.487 176.300 -0.050 0.000 1.677 980 D CA -0.173 53.810 54.000 -0.029 0.000 0.821 980 D CB -1.142 39.649 40.800 -0.014 0.000 1.358 980 D HN 0.335 nan 8.370 nan 0.000 0.448 981 L N 1.580 122.757 121.223 -0.077 0.000 2.276 981 L HA 0.348 4.688 4.340 -0.000 0.000 0.286 981 L C 0.590 177.390 176.870 -0.117 0.000 1.061 981 L CA -0.162 54.601 54.840 -0.129 0.000 0.807 981 L CB 1.602 43.536 42.059 -0.208 0.000 1.177 981 L HN -0.146 nan 8.230 nan 0.000 0.429 982 T N 3.128 117.616 114.554 -0.109 0.000 2.802 982 T HA 0.162 4.511 4.350 -0.000 0.000 0.305 982 T C 1.569 176.204 174.700 -0.108 0.000 1.053 982 T CA -0.232 61.816 62.100 -0.086 0.000 1.058 982 T CB 1.209 70.037 68.868 -0.067 0.000 0.988 982 T HN 0.435 nan 8.240 nan 0.000 0.539 983 I N 0.593 121.114 120.570 -0.081 0.000 2.928 983 I HA -0.059 4.110 4.170 -0.000 0.000 0.266 983 I C 2.391 178.463 176.117 -0.076 0.000 1.234 983 I CA 0.935 62.186 61.300 -0.081 0.000 1.483 983 I CB -0.154 37.813 38.000 -0.056 0.000 1.097 983 I HN 0.629 nan 8.210 nan 0.000 0.455 984 K N 0.635 120.995 120.400 -0.066 0.000 2.021 984 K HA -0.130 4.190 4.320 -0.000 0.000 0.205 984 K C 1.606 178.164 176.600 -0.071 0.000 1.047 984 K CA 1.114 57.370 56.287 -0.052 0.000 0.943 984 K CB -0.101 32.377 32.500 -0.037 0.000 0.725 984 K HN 0.143 nan 8.250 nan 0.000 0.439 985 D N 1.312 121.655 120.400 -0.095 0.000 2.204 985 D HA -0.239 4.401 4.640 -0.000 0.000 0.189 985 D C 1.910 178.086 176.300 -0.205 0.000 1.006 985 D CA 1.380 55.302 54.000 -0.130 0.000 0.855 985 D CB -0.334 40.363 40.800 -0.170 0.000 0.946 985 D HN 0.152 nan 8.370 nan 0.000 0.448 986 I N 0.426 120.804 120.570 -0.320 0.000 2.045 986 I HA -0.262 3.908 4.170 -0.000 0.000 0.233 986 I C 2.540 178.605 176.117 -0.086 0.000 1.048 986 I CA 0.782 61.842 61.300 -0.399 0.000 1.313 986 I CB -0.428 37.368 38.000 -0.339 0.000 1.043 986 I HN -0.110 nan 8.210 nan 0.000 0.393 987 V N 1.131 121.012 119.914 -0.056 0.000 2.660 987 V HA -0.270 3.850 4.120 -0.000 0.000 0.257 987 V C 2.149 178.248 176.094 0.010 0.000 1.088 987 V CA 1.588 63.886 62.300 -0.004 0.000 1.106 987 V CB -0.531 31.286 31.823 -0.011 0.000 0.686 987 V HN 0.378 nan 8.190 nan 0.000 0.481 988 L N -0.679 120.545 121.223 0.001 0.000 2.354 988 L HA 0.168 4.508 4.340 -0.000 0.000 0.212 988 L C 2.449 179.343 176.870 0.039 0.000 1.091 988 L CA 1.001 55.848 54.840 0.012 0.000 0.828 988 L CB -0.589 41.468 42.059 -0.002 0.000 0.973 988 L HN 0.415 nan 8.230 nan 0.000 0.461 989 G N -0.389 108.464 108.800 0.088 0.000 2.395 989 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.214 989 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.214 989 G C 1.505 176.472 174.900 0.112 0.000 1.177 989 G CA 0.518 45.703 45.100 0.142 0.000 0.794 989 G HN 0.099 nan 8.290 nan 0.000 0.532 990 V N 0.807 120.814 119.914 0.156 0.000 2.546 990 V HA -0.213 3.907 4.120 -0.000 0.000 0.254 990 V C 2.622 178.719 176.094 0.006 0.000 1.076 990 V CA 2.309 64.656 62.300 0.078 0.000 1.087 990 V CB -0.388 31.495 31.823 0.100 0.000 0.674 990 V HN 0.398 nan 8.190 nan 0.000 0.470 991 K N -0.404 120.003 120.400 0.011 0.000 2.067 991 K HA -0.120 4.200 4.320 -0.000 0.000 0.203 991 K C 1.956 178.540 176.600 -0.025 0.000 1.048 991 K CA 1.183 57.461 56.287 -0.015 0.000 0.954 991 K CB -0.149 32.346 32.500 -0.008 0.000 0.737 991 K HN 0.360 nan 8.250 nan 0.000 0.444 992 D N 0.922 121.315 120.400 -0.011 0.000 2.218 992 D HA -0.149 4.491 4.640 -0.000 0.000 0.204 992 D C 1.818 178.094 176.300 -0.041 0.000 0.976 992 D CA 0.611 54.600 54.000 -0.019 0.000 0.853 992 D CB 0.145 40.943 40.800 -0.003 0.000 0.939 992 D HN 0.125 nan 8.370 nan 0.000 0.481 993 L N 1.289 122.482 121.223 -0.050 0.000 1.988 993 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 993 L C 2.184 178.983 176.870 -0.120 0.000 1.071 993 L CA 1.732 56.520 54.840 -0.086 0.000 0.744 993 L CB -0.713 41.285 42.059 -0.101 0.000 0.893 993 L HN -0.073 nan 8.230 nan 0.000 0.433 994 Q N -0.550 119.177 119.800 -0.122 0.000 2.248 994 Q HA -0.228 4.112 4.340 -0.000 0.000 0.208 994 Q C 1.780 177.704 176.000 -0.125 0.000 0.984 994 Q CA 1.489 57.206 55.803 -0.143 0.000 0.875 994 Q CB -0.278 28.386 28.738 -0.123 0.000 0.910 994 Q HN 0.540 nan 8.270 nan 0.000 0.433 995 E N 0.189 120.334 120.200 -0.092 0.000 2.472 995 E HA -0.059 4.291 4.350 -0.000 0.000 0.200 995 E C 0.644 177.197 176.600 -0.079 0.000 1.046 995 E CA 0.480 56.837 56.400 -0.072 0.000 0.871 995 E CB 0.089 29.759 29.700 -0.049 0.000 0.806 995 E HN 0.357 nan 8.360 nan 0.000 0.533 996 N N -0.199 118.435 118.700 -0.110 0.000 2.170 996 N HA 0.095 4.834 4.740 -0.000 0.000 0.222 996 N C -0.034 175.375 175.510 -0.168 0.000 1.218 996 N CA -0.012 52.975 53.050 -0.105 0.000 0.889 996 N CB 0.995 39.434 38.487 -0.081 0.000 1.083 996 N HN 0.092 nan 8.380 nan 0.000 0.520 997 L N 2.137 123.177 121.223 -0.304 0.000 2.375 997 L HA 0.338 4.678 4.340 -0.000 0.000 0.276 997 L C -0.536 176.170 176.870 -0.274 0.000 1.162 997 L CA -0.215 54.212 54.840 -0.689 0.000 0.991 997 L CB -0.348 41.021 42.059 -1.151 0.000 1.315 997 L HN -0.198 nan 8.230 nan 0.000 0.431 998 L N 2.510 123.744 121.223 0.018 0.000 2.307 998 L HA 0.403 4.743 4.340 -0.000 0.000 0.282 998 L C 0.777 177.782 176.870 0.224 0.000 1.051 998 L CA -0.243 54.666 54.840 0.114 0.000 0.804 998 L CB 1.735 43.826 42.059 0.053 0.000 1.197 998 L HN 0.159 nan 8.230 nan 0.000 0.431 999 V N 2.108 122.120 119.914 0.162 0.000 2.870 999 V HA 0.239 4.359 4.120 -0.000 0.000 0.232 999 V C 0.419 176.556 176.094 0.071 0.000 1.161 999 V CA 0.149 62.518 62.300 0.115 0.000 1.204 999 V CB 0.337 32.228 31.823 0.114 0.000 1.003 999 V HN 0.451 nan 8.190 nan 0.000 0.499 1000 L N 0.205 121.468 121.223 0.066 0.000 2.325 1000 L HA 0.448 4.788 4.340 -0.000 0.000 0.279 1000 L C 1.130 178.026 176.870 0.043 0.000 1.054 1000 L CA -0.058 54.815 54.840 0.055 0.000 0.804 1000 L CB 1.669 43.759 42.059 0.051 0.000 1.200 1000 L HN 0.072 nan 8.230 nan 0.000 0.436 1001 R N 1.431 121.954 120.500 0.039 0.000 2.123 1001 R HA 0.172 4.512 4.340 -0.000 0.000 0.209 1001 R C 0.742 177.055 176.300 0.020 0.000 1.078 1001 R CA 0.354 56.470 56.100 0.027 0.000 1.028 1001 R CB 0.008 30.323 30.300 0.024 0.000 0.939 1001 R HN 0.870 nan 8.270 nan 0.000 0.463 1002 G N 1.984 110.798 108.800 0.024 0.000 2.940 1002 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.275 1002 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.275 1002 G C -0.485 174.421 174.900 0.010 0.000 0.350 1002 G CA 0.272 45.382 45.100 0.018 0.000 1.186 1002 G HN 0.209 nan 8.290 nan 0.000 0.207 1003 K N 1.788 122.192 120.400 0.007 0.000 2.457 1003 K HA 0.384 4.704 4.320 -0.000 0.000 0.226 1003 K C 0.302 176.902 176.600 0.001 0.000 1.114 1003 K CA -0.257 56.032 56.287 0.003 0.000 1.089 1003 K CB -0.130 32.372 32.500 0.002 0.000 1.739 1003 K HN 0.940 nan 8.250 nan 0.000 0.473 1004 N N -1.602 117.098 118.700 -0.000 0.000 3.514 1004 N HA -0.049 4.691 4.740 -0.000 0.000 0.268 1004 N C 0.069 175.576 175.510 -0.006 0.000 1.391 1004 N CA -0.688 52.360 53.050 -0.003 0.000 0.821 1004 N CB 0.482 38.968 38.487 -0.002 0.000 1.563 1004 N HN -0.041 nan 8.380 nan 0.000 0.426 1005 E N -0.063 120.131 120.200 -0.009 0.000 2.008 1005 E HA 0.113 4.463 4.350 -0.000 0.000 0.191 1005 E C 1.509 178.098 176.600 -0.019 0.000 0.986 1005 E CA 1.505 57.897 56.400 -0.013 0.000 0.807 1005 E CB -0.270 29.421 29.700 -0.014 0.000 0.766 1005 E HN 0.547 nan 8.360 nan 0.000 0.450 1006 I N 1.273 121.830 120.570 -0.023 0.000 2.121 1006 I HA -0.343 3.827 4.170 -0.000 0.000 0.243 1006 I C 2.244 178.340 176.117 -0.036 0.000 1.047 1006 I CA 1.464 62.743 61.300 -0.036 0.000 1.308 1006 I CB -1.123 36.854 38.000 -0.037 0.000 1.015 1006 I HN 0.294 nan 8.210 nan 0.000 0.410 1007 I N -0.086 120.472 120.570 -0.019 0.000 2.188 1007 I HA -0.190 3.980 4.170 -0.000 0.000 0.237 1007 I C 2.343 178.457 176.117 -0.006 0.000 1.073 1007 I CA 1.076 62.371 61.300 -0.009 0.000 1.359 1007 I CB -1.492 36.511 38.000 0.006 0.000 1.083 1007 I HN 0.312 nan 8.210 nan 0.000 0.412 1008 Q N 0.887 120.684 119.800 -0.005 0.000 2.585 1008 Q HA -0.183 4.156 4.340 -0.000 0.000 0.219 1008 Q C 1.682 177.676 176.000 -0.010 0.000 0.984 1008 Q CA 0.778 56.578 55.803 -0.005 0.000 0.915 1008 Q CB -0.380 28.355 28.738 -0.006 0.000 0.967 1008 Q HN 0.496 nan 8.270 nan 0.000 0.530 1009 N N -0.119 118.572 118.700 -0.016 0.000 2.322 1009 N HA -0.000 4.739 4.740 -0.000 0.000 0.186 1009 N C 1.522 177.020 175.510 -0.020 0.000 1.037 1009 N CA 1.084 54.122 53.050 -0.021 0.000 0.869 1009 N CB 0.005 38.475 38.487 -0.029 0.000 1.036 1009 N HN 0.136 nan 8.380 nan 0.000 0.439 1010 A N 1.161 123.965 122.820 -0.026 0.000 1.997 1010 A HA -0.245 4.075 4.320 -0.000 0.000 0.221 1010 A C 2.101 179.685 177.584 0.000 0.000 1.172 1010 A CA 1.914 53.937 52.037 -0.023 0.000 0.645 1010 A CB -0.721 18.261 19.000 -0.030 0.000 0.813 1010 A HN 0.437 nan 8.150 nan 0.000 0.454 1011 Q N 0.289 120.092 119.800 0.005 0.000 2.014 1011 Q HA -0.213 4.127 4.340 -0.000 0.000 0.207 1011 Q C 2.135 178.143 176.000 0.014 0.000 0.993 1011 Q CA 2.369 58.183 55.803 0.017 0.000 0.850 1011 Q CB -0.427 28.317 28.738 0.011 0.000 0.916 1011 Q HN 0.693 nan 8.270 nan 0.000 0.417 1012 R N 0.358 120.857 120.500 -0.002 0.000 2.112 1012 R HA -0.182 4.158 4.340 -0.000 0.000 0.242 1012 R C 2.080 178.378 176.300 -0.005 0.000 1.137 1012 R CA 1.627 57.721 56.100 -0.010 0.000 0.944 1012 R CB -0.734 29.555 30.300 -0.018 0.000 0.857 1012 R HN 0.488 nan 8.270 nan 0.000 0.435 1013 D N 0.826 121.225 120.400 -0.002 0.000 2.127 1013 D HA -0.213 4.427 4.640 -0.000 0.000 0.190 1013 D C 1.808 178.114 176.300 0.011 0.000 1.000 1013 D CA 1.829 55.830 54.000 0.002 0.000 0.839 1013 D CB -0.404 40.394 40.800 -0.002 0.000 0.955 1013 D HN 0.314 nan 8.370 nan 0.000 0.446 1014 A N 0.372 123.207 122.820 0.024 0.000 2.186 1014 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 1014 A C 2.333 179.962 177.584 0.076 0.000 1.159 1014 A CA 1.102 53.163 52.037 0.041 0.000 0.680 1014 A CB -0.159 18.873 19.000 0.052 0.000 0.787 1014 A HN 0.202 nan 8.150 nan 0.000 0.467 1015 V N -2.125 117.834 119.914 0.075 0.000 3.307 1015 V HA -0.084 4.035 4.120 -0.000 0.000 0.244 1015 V C 2.273 178.421 176.094 0.090 0.000 1.196 1015 V CA 1.325 63.703 62.300 0.130 0.000 1.132 1015 V CB -0.763 31.116 31.823 0.094 0.000 0.875 1015 V HN 0.513 nan 8.190 nan 0.000 0.468 1016 T N 1.934 116.485 114.554 -0.005 0.000 2.360 1016 T HA -0.405 3.944 4.350 -0.000 0.000 0.226 1016 T C 1.845 176.467 174.700 -0.129 0.000 1.465 1016 T CA 2.710 64.747 62.100 -0.105 0.000 1.117 1016 T CB -0.776 68.003 68.868 -0.148 0.000 0.844 1016 T HN 0.310 nan 8.240 nan 0.000 0.424 1017 L N 0.610 121.775 121.223 -0.098 0.000 2.034 1017 L HA -0.128 4.212 4.340 -0.000 0.000 0.217 1017 L C 2.086 178.984 176.870 0.046 0.000 1.077 1017 L CA 1.951 56.753 54.840 -0.064 0.000 0.769 1017 L CB -1.237 40.820 42.059 -0.003 0.000 0.890 1017 L HN 0.336 nan 8.230 nan 0.000 0.435 1018 F N 0.190 120.125 119.950 -0.027 0.000 2.043 1018 F HA -0.291 4.236 4.527 -0.000 0.000 0.297 1018 F C 2.622 178.409 175.800 -0.022 0.000 1.121 1018 F CA 1.833 59.843 58.000 0.018 0.000 1.199 1018 F CB -1.246 37.814 39.000 0.099 0.000 0.968 1018 F HN 0.254 nan 8.300 nan 0.000 0.478 1019 C N 0.013 119.170 119.300 -0.237 0.000 2.396 1019 C HA -0.275 4.185 4.460 -0.000 0.000 0.277 1019 C C 3.100 177.917 174.990 -0.288 0.000 1.231 1019 C CA 1.055 59.858 59.018 -0.358 0.000 1.775 1019 C CB -2.088 25.524 27.740 -0.212 0.000 2.036 1019 C HN 0.712 nan 8.230 nan 0.000 0.484 1020 C N 0.113 119.283 119.300 -0.217 0.000 2.413 1020 C HA -0.138 4.322 4.460 -0.000 0.000 0.276 1020 C C 2.573 177.485 174.990 -0.129 0.000 1.248 1020 C CA 1.295 60.208 59.018 -0.175 0.000 1.742 1020 C CB -1.568 26.066 27.740 -0.176 0.000 2.017 1020 C HN 0.679 nan 8.230 nan 0.000 0.481 1021 L N 0.513 121.660 121.223 -0.126 0.000 2.093 1021 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 1021 L C 2.177 178.948 176.870 -0.164 0.000 1.085 1021 L CA 1.641 56.434 54.840 -0.079 0.000 0.755 1021 L CB -1.006 41.058 42.059 0.008 0.000 0.904 1021 L HN 0.218 nan 8.230 nan 0.000 0.435 1022 L N 0.162 121.160 121.223 -0.374 0.000 1.961 1022 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 1022 L C 2.775 179.548 176.870 -0.162 0.000 1.072 1022 L CA 1.941 56.557 54.840 -0.374 0.000 0.749 1022 L CB -0.789 40.923 42.059 -0.579 0.000 0.889 1022 L HN 0.273 nan 8.230 nan 0.000 0.432 1023 R N -1.090 119.328 120.500 -0.136 0.000 2.105 1023 R HA -0.170 4.170 4.340 -0.000 0.000 0.239 1023 R C 2.492 178.812 176.300 0.035 0.000 1.135 1023 R CA 1.342 57.416 56.100 -0.044 0.000 0.967 1023 R CB -0.731 29.534 30.300 -0.058 0.000 0.861 1023 R HN 0.502 nan 8.270 nan 0.000 0.442 1024 S N 0.421 116.136 115.700 0.025 0.000 2.374 1024 S HA -0.158 4.312 4.470 -0.000 0.000 0.227 1024 S C 1.784 176.511 174.600 0.212 0.000 1.037 1024 S CA 1.281 59.558 58.200 0.128 0.000 1.024 1024 S CB 0.047 63.290 63.200 0.071 0.000 0.861 1024 S HN 0.221 nan 8.310 nan 0.000 0.456 1025 R N 0.192 120.765 120.500 0.122 0.000 2.237 1025 R HA 0.326 4.666 4.340 -0.000 0.000 0.195 1025 R C 0.986 177.403 176.300 0.195 0.000 0.956 1025 R CA 0.285 56.482 56.100 0.162 0.000 1.029 1025 R CB -0.543 29.825 30.300 0.113 0.000 0.972 1025 R HN 0.429 nan 8.270 nan 0.000 0.493 1026 L N 1.650 122.949 121.223 0.127 0.000 3.036 1026 L HA 0.390 4.730 4.340 -0.000 0.000 0.237 1026 L C 0.170 177.125 176.870 0.140 0.000 1.319 1026 L CA -0.577 54.362 54.840 0.165 0.000 1.112 1026 L CB 0.315 42.441 42.059 0.112 0.000 1.480 1026 L HN -0.097 nan 8.230 nan 0.000 0.506 1027 A N -0.356 122.523 122.820 0.098 0.000 2.409 1027 A HA 0.314 4.634 4.320 -0.000 0.000 0.262 1027 A C 1.427 179.007 177.584 -0.008 0.000 1.113 1027 A CA -0.134 51.937 52.037 0.056 0.000 0.790 1027 A CB 0.470 19.500 19.000 0.050 0.000 1.046 1027 A HN 0.374 nan 8.150 nan 0.000 0.496 1028 T N 2.058 116.611 114.554 -0.001 0.000 2.597 1028 T HA -0.214 4.136 4.350 -0.000 0.000 0.267 1028 T C 2.224 176.872 174.700 -0.087 0.000 1.053 1028 T CA 1.805 63.884 62.100 -0.036 0.000 1.165 1028 T CB -0.246 68.603 68.868 -0.032 0.000 0.863 1028 T HN 0.648 nan 8.240 nan 0.000 0.427 1029 R N 0.805 121.236 120.500 -0.116 0.000 2.115 1029 R HA -0.078 4.261 4.340 -0.000 0.000 0.239 1029 R C 2.625 178.780 176.300 -0.241 0.000 1.133 1029 R CA 1.750 57.747 56.100 -0.171 0.000 0.935 1029 R CB -0.630 29.544 30.300 -0.210 0.000 0.853 1029 R HN 0.390 nan 8.270 nan 0.000 0.433 1030 R N -0.356 119.944 120.500 -0.332 0.000 2.122 1030 R HA -0.150 4.190 4.340 -0.000 0.000 0.236 1030 R C 2.205 178.212 176.300 -0.488 0.000 1.129 1030 R CA 2.083 57.896 56.100 -0.478 0.000 0.925 1030 R CB -0.609 29.423 30.300 -0.446 0.000 0.850 1030 R HN 0.083 nan 8.270 nan 0.000 0.431 1031 V N 0.977 120.786 119.914 -0.175 0.000 2.944 1031 V HA -0.233 3.887 4.120 -0.000 0.000 0.265 1031 V C 1.735 177.852 176.094 0.039 0.000 1.125 1031 V CA 1.547 63.903 62.300 0.092 0.000 1.145 1031 V CB -0.468 31.477 31.823 0.203 0.000 0.725 1031 V HN 0.301 nan 8.190 nan 0.000 0.510 1032 L N -1.924 119.247 121.223 -0.087 0.000 2.586 1032 L HA 0.140 4.480 4.340 -0.000 0.000 0.204 1032 L C 2.256 179.083 176.870 -0.070 0.000 1.053 1032 L CA 0.744 55.552 54.840 -0.054 0.000 0.856 1032 L CB -0.359 41.662 42.059 -0.063 0.000 1.192 1032 L HN 0.097 nan 8.230 nan 0.000 0.484 1033 Q N 0.353 120.072 119.800 -0.135 0.000 2.163 1033 Q HA -0.094 4.246 4.340 -0.000 0.000 0.198 1033 Q C 1.736 177.649 176.000 -0.146 0.000 0.954 1033 Q CA 1.119 56.849 55.803 -0.123 0.000 0.851 1033 Q CB 0.415 29.068 28.738 -0.142 0.000 0.928 1033 Q HN 0.473 nan 8.270 nan 0.000 0.459 1034 E N -0.465 119.569 120.200 -0.276 0.000 2.060 1034 E HA -0.086 4.264 4.350 -0.000 0.000 0.189 1034 E C -0.401 176.121 176.600 -0.131 0.000 0.974 1034 E CA 0.639 56.853 56.400 -0.311 0.000 0.808 1034 E CB 0.322 29.683 29.700 -0.564 0.000 0.768 1034 E HN 0.375 nan 8.360 nan 0.000 0.453 1035 Y N -0.181 120.139 120.300 0.034 0.000 2.705 1035 Y HA 0.415 4.965 4.550 -0.000 0.000 0.355 1035 Y C -0.663 175.283 175.900 0.077 0.000 1.039 1035 Y CA -1.328 56.822 58.100 0.085 0.000 1.233 1035 Y CB 0.158 38.655 38.460 0.061 0.000 1.103 1035 Y HN -0.310 nan 8.280 nan 0.000 0.624 1036 R N 3.320 123.959 120.500 0.233 0.000 3.501 1036 R HA 0.001 4.341 4.340 -0.000 0.000 0.332 1036 R C -0.361 176.002 176.300 0.106 0.000 0.776 1036 R CA 0.399 56.581 56.100 0.136 0.000 1.007 1036 R CB -0.436 29.930 30.300 0.111 0.000 0.929 1036 R HN 0.736 nan 8.270 nan 0.000 0.372 1037 L N 1.699 122.996 121.223 0.123 0.000 2.360 1037 L HA 0.311 4.650 4.340 -0.000 0.000 0.271 1037 L C 1.406 178.300 176.870 0.040 0.000 1.057 1037 L CA -0.470 54.426 54.840 0.092 0.000 0.803 1037 L CB 1.664 43.837 42.059 0.191 0.000 1.207 1037 L HN 0.531 nan 8.230 nan 0.000 0.445 1038 T N -1.380 113.173 114.554 -0.002 0.000 2.880 1038 T HA 0.203 4.553 4.350 -0.000 0.000 0.279 1038 T C 0.819 175.522 174.700 0.006 0.000 0.990 1038 T CA -0.497 61.596 62.100 -0.011 0.000 0.938 1038 T CB 1.739 70.594 68.868 -0.023 0.000 1.206 1038 T HN 0.572 nan 8.240 nan 0.000 0.573 1039 K N 0.009 120.410 120.400 0.002 0.000 2.031 1039 K HA -0.056 4.264 4.320 -0.000 0.000 0.205 1039 K C 2.464 179.100 176.600 0.060 0.000 1.049 1039 K CA 1.892 58.195 56.287 0.027 0.000 0.939 1039 K CB -0.785 31.722 32.500 0.011 0.000 0.717 1039 K HN 0.741 nan 8.250 nan 0.000 0.438 1040 Q N -0.157 119.651 119.800 0.014 0.000 2.062 1040 Q HA -0.252 4.088 4.340 -0.000 0.000 0.209 1040 Q C 1.921 177.803 176.000 -0.195 0.000 0.996 1040 Q CA 2.376 58.173 55.803 -0.009 0.000 0.859 1040 Q CB -0.445 28.323 28.738 0.050 0.000 0.920 1040 Q HN 0.437 nan 8.270 nan 0.000 0.415 1041 A N 0.357 122.909 122.820 -0.446 0.000 1.851 1041 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 1041 A C 1.900 179.407 177.584 -0.129 0.000 1.195 1041 A CA 1.537 53.177 52.037 -0.662 0.000 0.622 1041 A CB -1.292 17.387 19.000 -0.535 0.000 0.831 1041 A HN 0.630 nan 8.150 nan 0.000 0.444 1042 F N 1.258 121.130 119.950 -0.130 0.000 2.043 1042 F HA -0.308 4.219 4.527 -0.000 0.000 0.297 1042 F C 2.027 177.821 175.800 -0.010 0.000 1.118 1042 F CA 2.530 60.504 58.000 -0.045 0.000 1.202 1042 F CB -0.377 38.605 39.000 -0.031 0.000 0.965 1042 F HN 0.294 nan 8.300 nan 0.000 0.482 1043 D N -0.661 119.874 120.400 0.225 0.000 2.191 1043 D HA -0.290 4.350 4.640 -0.000 0.000 0.195 1043 D C 1.807 178.130 176.300 0.038 0.000 1.003 1043 D CA 1.766 55.843 54.000 0.128 0.000 0.867 1043 D CB -0.768 40.125 40.800 0.155 0.000 0.926 1043 D HN 0.559 nan 8.370 nan 0.000 0.450 1044 W N 1.332 122.552 121.300 -0.134 0.000 2.380 1044 W HA -0.191 4.469 4.660 -0.000 0.000 0.317 1044 W C 2.389 178.820 176.519 -0.147 0.000 1.196 1044 W CA 1.080 58.361 57.345 -0.106 0.000 1.307 1044 W CB -0.702 28.683 29.460 -0.124 0.000 1.157 1044 W HN -0.253 nan 8.180 nan 0.000 0.483 1045 V N 1.355 121.215 119.914 -0.089 0.000 2.278 1045 V HA -0.386 3.734 4.120 -0.000 0.000 0.251 1045 V C 2.423 178.283 176.094 -0.390 0.000 1.062 1045 V CA 2.152 64.275 62.300 -0.295 0.000 1.038 1045 V CB -1.137 30.524 31.823 -0.270 0.000 0.646 1045 V HN 0.251 nan 8.190 nan 0.000 0.447 1046 L N -0.402 120.570 121.223 -0.419 0.000 2.042 1046 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 1046 L C 2.677 179.398 176.870 -0.249 0.000 1.076 1046 L CA 2.148 56.782 54.840 -0.344 0.000 0.749 1046 L CB -0.934 40.927 42.059 -0.330 0.000 0.893 1046 L HN 0.441 nan 8.230 nan 0.000 0.432 1047 S N -0.064 115.483 115.700 -0.255 0.000 2.368 1047 S HA -0.154 4.316 4.470 -0.000 0.000 0.225 1047 S C 1.722 176.174 174.600 -0.248 0.000 1.030 1047 S CA 1.317 59.387 58.200 -0.216 0.000 0.999 1047 S CB -0.154 62.930 63.200 -0.193 0.000 0.844 1047 S HN 0.457 nan 8.310 nan 0.000 0.459 1048 N N 1.157 119.622 118.700 -0.390 0.000 2.135 1048 N HA -0.032 4.708 4.740 -0.000 0.000 0.186 1048 N C 1.833 177.233 175.510 -0.184 0.000 1.027 1048 N CA 1.441 54.286 53.050 -0.342 0.000 0.849 1048 N CB -0.289 37.870 38.487 -0.547 0.000 1.002 1048 N HN 0.362 nan 8.380 nan 0.000 0.425 1049 I N 1.933 122.399 120.570 -0.174 0.000 2.185 1049 I HA -0.290 3.880 4.170 -0.000 0.000 0.246 1049 I C 2.570 178.703 176.117 0.027 0.000 1.088 1049 I CA 1.467 62.744 61.300 -0.039 0.000 1.347 1049 I CB -0.952 37.014 38.000 -0.057 0.000 1.041 1049 I HN 0.318 nan 8.210 nan 0.000 0.415 1050 E N 1.231 121.403 120.200 -0.048 0.000 2.047 1050 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 1050 E C 2.275 178.893 176.600 0.030 0.000 0.987 1050 E CA 1.548 57.931 56.400 -0.029 0.000 0.799 1050 E CB -0.064 29.593 29.700 -0.073 0.000 0.752 1050 E HN 0.387 nan 8.360 nan 0.000 0.449 1051 A N 0.831 123.636 122.820 -0.024 0.000 1.835 1051 A HA -0.235 4.085 4.320 -0.000 0.000 0.215 1051 A C 2.222 179.807 177.584 0.001 0.000 1.199 1051 A CA 1.777 53.803 52.037 -0.018 0.000 0.615 1051 A CB -0.895 18.068 19.000 -0.062 0.000 0.838 1051 A HN 0.399 nan 8.150 nan 0.000 0.444 1052 Q N -1.882 117.907 119.800 -0.018 0.000 2.248 1052 Q HA -0.217 4.123 4.340 -0.000 0.000 0.208 1052 Q C 1.772 177.755 176.000 -0.029 0.000 0.984 1052 Q CA 1.719 57.509 55.803 -0.022 0.000 0.875 1052 Q CB -0.310 28.415 28.738 -0.022 0.000 0.910 1052 Q HN 0.764 nan 8.270 nan 0.000 0.433 1053 F N 0.543 120.421 119.950 -0.120 0.000 2.060 1053 F HA -0.189 4.338 4.527 -0.000 0.000 0.295 1053 F C 1.770 177.472 175.800 -0.164 0.000 1.120 1053 F CA 1.206 59.105 58.000 -0.167 0.000 1.205 1053 F CB -0.202 38.726 39.000 -0.120 0.000 0.986 1053 F HN -0.050 nan 8.300 nan 0.000 0.470 1054 L N 0.400 121.734 121.223 0.185 0.000 2.137 1054 L HA -0.266 4.074 4.340 -0.000 0.000 0.213 1054 L C 2.498 179.271 176.870 -0.161 0.000 1.085 1054 L CA 1.420 56.285 54.840 0.042 0.000 0.760 1054 L CB -0.601 41.502 42.059 0.073 0.000 0.893 1054 L HN 0.159 nan 8.230 nan 0.000 0.434 1055 R N -1.303 119.089 120.500 -0.181 0.000 2.193 1055 R HA -0.002 4.338 4.340 -0.000 0.000 0.213 1055 R C 2.146 178.136 176.300 -0.517 0.000 1.055 1055 R CA 0.801 56.749 56.100 -0.254 0.000 0.995 1055 R CB -0.118 30.079 30.300 -0.171 0.000 0.893 1055 R HN 0.217 nan 8.270 nan 0.000 0.459 1056 S N 0.513 115.892 115.700 -0.535 0.000 2.562 1056 S HA 0.056 4.526 4.470 -0.000 0.000 0.221 1056 S C 0.948 175.271 174.600 -0.462 0.000 0.975 1056 S CA -0.063 57.775 58.200 -0.603 0.000 0.918 1056 S CB 0.196 63.130 63.200 -0.442 0.000 0.772 1056 S HN -0.034 nan 8.310 nan 0.000 0.531 1057 V N 1.599 121.245 119.914 -0.446 0.000 3.566 1057 V HA 0.081 4.201 4.120 -0.000 0.000 0.301 1057 V C 0.768 176.754 176.094 -0.179 0.000 1.105 1057 V CA -0.146 61.967 62.300 -0.312 0.000 1.142 1057 V CB 0.515 32.178 31.823 -0.268 0.000 1.107 1057 V HN 0.060 nan 8.190 nan 0.000 0.481 1058 V N 0.696 120.562 119.914 -0.080 0.000 2.716 1058 V HA 0.281 4.401 4.120 -0.000 0.000 0.304 1058 V C 0.025 176.094 176.094 -0.040 0.000 1.053 1058 V CA -0.611 61.714 62.300 0.042 0.000 0.984 1058 V CB 1.310 33.236 31.823 0.172 0.000 1.021 1058 V HN 0.767 nan 8.190 nan 0.000 0.467 1059 H N 3.655 122.726 119.070 0.003 0.000 2.652 1059 H HA 0.252 4.808 4.556 -0.000 0.000 0.298 1059 H C -2.322 172.960 175.328 -0.076 0.000 1.076 1059 H CA -1.791 54.246 56.048 -0.018 0.000 1.360 1059 H CB 1.484 31.241 29.762 -0.008 0.000 1.421 1059 H HN 0.398 nan 8.280 nan 0.000 0.464 1060 P HA -0.003 nan 4.420 nan 0.000 0.260 1060 P C 0.826 177.934 177.300 -0.320 0.000 1.207 1060 P CA 0.915 63.856 63.100 -0.265 0.000 0.780 1060 P CB 0.431 31.844 31.700 -0.479 0.000 0.789 1061 G N 2.415 111.060 108.800 -0.260 0.000 3.382 1061 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.214 1061 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.214 1061 G C -0.052 174.745 174.900 -0.171 0.000 1.025 1061 G CA -0.462 44.511 45.100 -0.212 0.000 0.869 1061 G HN 0.417 nan 8.290 nan 0.000 0.458 1062 E N 1.558 121.677 120.200 -0.134 0.000 2.452 1062 E HA 0.151 4.501 4.350 -0.000 0.000 0.261 1062 E C 0.353 176.838 176.600 -0.192 0.000 0.987 1062 E CA 0.291 56.607 56.400 -0.140 0.000 0.926 1062 E CB 0.442 30.067 29.700 -0.126 0.000 0.934 1062 E HN 0.147 nan 8.360 nan 0.000 0.452 1063 M N 3.758 123.259 119.600 -0.166 0.000 3.690 1063 M HA 0.029 4.509 4.480 -0.000 0.000 0.209 1063 M C 1.007 177.199 176.300 -0.179 0.000 1.403 1063 M CA -0.180 55.020 55.300 -0.167 0.000 1.621 1063 M CB -0.544 31.975 32.600 -0.134 0.000 1.056 1063 M HN 0.248 nan 8.290 nan 0.000 0.593 1064 V N 0.568 120.327 119.914 -0.259 0.000 2.546 1064 V HA -0.251 3.869 4.120 -0.000 0.000 0.254 1064 V C 2.299 178.290 176.094 -0.171 0.000 1.076 1064 V CA 2.294 64.404 62.300 -0.315 0.000 1.087 1064 V CB -1.337 30.051 31.823 -0.725 0.000 0.674 1064 V HN 0.779 nan 8.190 nan 0.000 0.470 1065 G N 0.018 108.729 108.800 -0.148 0.000 2.484 1065 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.215 1065 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.215 1065 G C 1.638 176.473 174.900 -0.108 0.000 1.219 1065 G CA 1.127 46.161 45.100 -0.109 0.000 0.791 1065 G HN 0.370 nan 8.290 nan 0.000 0.550 1066 V N 1.114 120.956 119.914 -0.119 0.000 2.392 1066 V HA -0.152 3.968 4.120 -0.000 0.000 0.249 1066 V C 2.730 178.755 176.094 -0.114 0.000 1.059 1066 V CA 1.403 63.631 62.300 -0.119 0.000 1.051 1066 V CB -0.538 31.219 31.823 -0.110 0.000 0.658 1066 V HN 0.285 nan 8.190 nan 0.000 0.455 1067 L N 0.818 121.978 121.223 -0.105 0.000 1.971 1067 L HA -0.209 4.131 4.340 -0.000 0.000 0.215 1067 L C 2.622 179.398 176.870 -0.158 0.000 1.072 1067 L CA 2.839 57.615 54.840 -0.107 0.000 0.758 1067 L CB -1.677 40.351 42.059 -0.051 0.000 0.889 1067 L HN 0.324 nan 8.230 nan 0.000 0.433 1068 A N -0.300 122.486 122.820 -0.057 0.000 1.869 1068 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 1068 A C 2.461 179.967 177.584 -0.131 0.000 1.203 1068 A CA 3.039 55.060 52.037 -0.025 0.000 0.638 1068 A CB -1.305 17.745 19.000 0.084 0.000 0.831 1068 A HN 0.641 nan 8.150 nan 0.000 0.450 1069 A N -0.855 121.893 122.820 -0.121 0.000 1.848 1069 A HA -0.328 3.992 4.320 -0.000 0.000 0.217 1069 A C 2.076 179.574 177.584 -0.143 0.000 1.220 1069 A CA 2.237 54.191 52.037 -0.138 0.000 0.645 1069 A CB -1.157 17.749 19.000 -0.156 0.000 0.842 1069 A HN 0.680 nan 8.150 nan 0.000 0.451 1070 Q N -0.558 119.161 119.800 -0.136 0.000 2.103 1070 Q HA -0.239 4.101 4.340 -0.000 0.000 0.213 1070 Q C 2.401 178.325 176.000 -0.127 0.000 1.008 1070 Q CA 2.089 57.824 55.803 -0.113 0.000 0.879 1070 Q CB -0.525 28.168 28.738 -0.075 0.000 0.946 1070 Q HN 0.650 nan 8.270 nan 0.000 0.413 1071 S N 0.169 115.745 115.700 -0.206 0.000 2.423 1071 S HA -0.148 4.322 4.470 -0.000 0.000 0.238 1071 S C 1.816 176.310 174.600 -0.176 0.000 1.028 1071 S CA 0.955 58.993 58.200 -0.270 0.000 1.000 1071 S CB -0.093 62.678 63.200 -0.715 0.000 0.797 1071 S HN 0.279 nan 8.310 nan 0.000 0.487 1072 I N 0.687 121.169 120.570 -0.146 0.000 2.494 1072 I HA 0.042 4.212 4.170 -0.000 0.000 0.250 1072 I C 2.629 178.684 176.117 -0.103 0.000 1.112 1072 I CA 1.027 62.264 61.300 -0.105 0.000 1.438 1072 I CB -1.899 36.045 38.000 -0.093 0.000 1.111 1072 I HN 0.323 nan 8.210 nan 0.000 0.431 1073 G N 0.843 109.576 108.800 -0.112 0.000 2.453 1073 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.215 1073 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.215 1073 G C 1.542 176.373 174.900 -0.116 0.000 1.201 1073 G CA 0.631 45.666 45.100 -0.108 0.000 0.784 1073 G HN 0.333 nan 8.290 nan 0.000 0.545 1074 E N 1.174 121.289 120.200 -0.143 0.000 2.065 1074 E HA -0.146 4.204 4.350 -0.000 0.000 0.201 1074 E C -0.087 176.421 176.600 -0.153 0.000 1.016 1074 E CA 1.662 57.939 56.400 -0.206 0.000 0.818 1074 E CB -1.025 28.458 29.700 -0.363 0.000 0.749 1074 E HN 0.373 nan 8.360 nan 0.000 0.453 1075 P HA -0.043 nan 4.420 nan 0.000 0.242 1075 P C 0.039 177.294 177.300 -0.075 0.000 1.198 1075 P CA 0.909 63.960 63.100 -0.080 0.000 0.756 1075 P CB -0.099 31.563 31.700 -0.064 0.000 0.911 1076 A N -1.134 121.637 122.820 -0.082 0.000 2.465 1076 A HA 0.282 4.602 4.320 -0.000 0.000 0.255 1076 A C 1.491 179.039 177.584 -0.059 0.000 1.274 1076 A CA 0.343 52.340 52.037 -0.067 0.000 0.920 1076 A CB -0.218 18.743 19.000 -0.066 0.000 1.033 1076 A HN 0.105 nan 8.150 nan 0.000 0.516 1077 T N -1.125 113.388 114.554 -0.068 0.000 2.954 1077 T HA 0.031 4.381 4.350 -0.000 0.000 0.252 1077 T C 1.401 176.068 174.700 -0.056 0.000 0.983 1077 T CA 0.083 62.147 62.100 -0.060 0.000 0.941 1077 T CB 0.113 68.939 68.868 -0.071 0.000 1.141 1077 T HN 0.302 nan 8.240 nan 0.000 0.500 1078 Q N 0.983 120.747 119.800 -0.060 0.000 2.482 1078 Q HA 0.234 4.574 4.340 -0.000 0.000 0.209 1078 Q C 0.463 176.440 176.000 -0.038 0.000 0.961 1078 Q CA 0.320 56.094 55.803 -0.048 0.000 0.945 1078 Q CB -0.372 28.338 28.738 -0.047 0.000 1.012 1078 Q HN 0.540 nan 8.270 nan 0.000 0.515 1079 M N 1.707 121.283 119.600 -0.039 0.000 2.618 1079 M HA 0.048 4.528 4.480 -0.000 0.000 0.322 1079 M C -0.418 175.865 176.300 -0.028 0.000 1.471 1079 M CA 0.511 55.791 55.300 -0.033 0.000 1.450 1079 M CB -0.011 32.568 32.600 -0.035 0.000 1.444 1079 M HN -0.231 nan 8.290 nan 0.000 0.471 1080 T N 5.032 119.572 114.554 -0.024 0.000 2.853 1080 T HA 0.619 4.969 4.350 -0.000 0.000 0.317 1080 T C -0.104 174.585 174.700 -0.018 0.000 1.059 1080 T CA -0.279 61.808 62.100 -0.022 0.000 0.954 1080 T CB 0.718 69.573 68.868 -0.021 0.000 0.994 1080 T HN 0.511 nan 8.240 nan 0.000 0.479 1093 K N 2.016 122.433 120.400 0.028 0.000 2.575 1093 K HA 0.526 4.846 4.320 -0.000 0.000 0.236 1093 K C -1.200 175.415 176.600 0.025 0.000 0.976 1093 K CA -0.428 55.871 56.287 0.020 0.000 0.985 1093 K CB 2.163 34.671 32.500 0.013 0.000 1.198 1093 K HN -0.173 nan 8.250 nan 0.000 0.464 1094 V N 0.456 120.385 119.914 0.025 0.000 3.282 1094 V HA 0.174 4.294 4.120 -0.000 0.000 0.295 1094 V C -0.492 175.618 176.094 0.025 0.000 1.451 1094 V CA -1.024 61.293 62.300 0.029 0.000 1.062 1094 V CB 2.540 34.388 31.823 0.041 0.000 1.128 1094 V HN 0.620 nan 8.190 nan 0.000 0.456 1095 T N 3.364 117.935 114.554 0.028 0.000 2.793 1095 T HA 0.419 4.769 4.350 -0.000 0.000 0.289 1095 T C -0.093 174.622 174.700 0.025 0.000 0.956 1095 T CA 0.703 62.818 62.100 0.026 0.000 1.177 1095 T CB -0.070 68.818 68.868 0.032 0.000 0.897 1095 T HN 1.025 nan 8.240 nan 0.000 0.533 1096 S N 2.095 117.804 115.700 0.015 0.000 2.535 1096 S HA 0.843 5.313 4.470 -0.000 0.000 0.272 1096 S C -0.214 174.385 174.600 -0.002 0.000 1.149 1096 S CA -0.241 57.963 58.200 0.007 0.000 0.888 1096 S CB 1.923 65.125 63.200 0.005 0.000 1.110 1096 S HN 1.382 nan 8.310 nan 0.000 0.463 1097 G N 0.950 109.743 108.800 -0.011 0.000 2.422 1097 G HA2 0.065 4.024 3.960 -0.000 0.000 0.607 1097 G HA3 0.065 4.024 3.960 -0.000 0.000 0.607 1097 G C 0.296 175.189 174.900 -0.012 0.000 1.270 1097 G CA -0.220 44.870 45.100 -0.017 0.000 0.992 1097 G HN 1.621 nan 8.290 nan 0.000 0.499 1098 V N 1.560 121.465 119.914 -0.014 0.000 2.280 1098 V HA -0.233 3.887 4.120 -0.000 0.000 0.258 1098 V C 0.931 177.028 176.094 0.006 0.000 1.081 1098 V CA 3.271 65.566 62.300 -0.008 0.000 1.070 1098 V CB -1.491 30.328 31.823 -0.007 0.000 0.666 1098 V HN 0.823 nan 8.190 nan 0.000 0.450 1099 P HA -0.138 nan 4.420 nan 0.000 0.222 1099 P C 1.522 178.840 177.300 0.030 0.000 1.153 1099 P CA 1.313 64.428 63.100 0.024 0.000 0.798 1099 P CB 0.009 31.721 31.700 0.020 0.000 0.796 1100 R N 0.738 121.251 120.500 0.022 0.000 2.066 1100 R HA -0.069 4.271 4.340 -0.000 0.000 0.232 1100 R C 2.291 178.607 176.300 0.028 0.000 1.131 1100 R CA 1.038 57.156 56.100 0.030 0.000 0.955 1100 R CB -1.920 28.391 30.300 0.019 0.000 0.851 1100 R HN 0.075 nan 8.270 nan 0.000 0.432 1101 L N 1.197 122.424 121.223 0.007 0.000 2.043 1101 L HA -0.150 4.190 4.340 -0.000 0.000 0.212 1101 L C 2.217 179.099 176.870 0.019 0.000 1.075 1101 L CA 2.203 57.040 54.840 -0.006 0.000 0.752 1101 L CB -0.674 41.371 42.059 -0.023 0.000 0.891 1101 L HN 0.321 nan 8.230 nan 0.000 0.432 1102 K N -0.502 119.920 120.400 0.036 0.000 2.026 1102 K HA -0.255 4.065 4.320 -0.000 0.000 0.208 1102 K C 2.115 178.766 176.600 0.085 0.000 1.048 1102 K CA 1.883 58.207 56.287 0.062 0.000 0.929 1102 K CB -0.259 32.284 32.500 0.071 0.000 0.713 1102 K HN 0.469 nan 8.250 nan 0.000 0.439 1103 E N 0.265 120.516 120.200 0.084 0.000 2.086 1103 E HA -0.241 4.109 4.350 -0.000 0.000 0.200 1103 E C 1.973 178.670 176.600 0.162 0.000 1.012 1103 E CA 1.707 58.174 56.400 0.111 0.000 0.812 1103 E CB -0.019 29.742 29.700 0.101 0.000 0.743 1103 E HN 0.278 nan 8.360 nan 0.000 0.453 1104 I N 0.718 121.373 120.570 0.141 0.000 2.058 1104 I HA -0.306 3.864 4.170 -0.000 0.000 0.235 1104 I C 2.538 178.771 176.117 0.193 0.000 1.053 1104 I CA 1.389 62.788 61.300 0.165 0.000 1.313 1104 I CB -1.444 36.545 38.000 -0.018 0.000 1.039 1104 I HN 0.238 nan 8.210 nan 0.000 0.396 1105 L N 0.748 122.033 121.223 0.103 0.000 2.137 1105 L HA -0.253 4.086 4.340 -0.000 0.000 0.213 1105 L C 2.119 179.079 176.870 0.150 0.000 1.085 1105 L CA 1.336 56.237 54.840 0.102 0.000 0.760 1105 L CB -0.834 41.253 42.059 0.047 0.000 0.893 1105 L HN 0.399 nan 8.230 nan 0.000 0.434 1106 N N -0.389 118.405 118.700 0.158 0.000 2.457 1106 N HA -0.028 4.712 4.740 -0.000 0.000 0.180 1106 N C 0.699 176.315 175.510 0.176 0.000 1.050 1106 N CA 0.484 53.636 53.050 0.170 0.000 0.906 1106 N CB 0.419 38.998 38.487 0.153 0.000 0.968 1106 N HN 0.035 nan 8.380 nan 0.000 0.445 1107 V N 0.916 120.954 119.914 0.206 0.000 5.949 1107 V HA -0.271 3.849 4.120 -0.000 0.000 0.287 1107 V C 0.492 176.624 176.094 0.063 0.000 0.603 1107 V CA 0.523 62.922 62.300 0.165 0.000 0.608 1107 V CB -2.352 29.557 31.823 0.144 0.000 0.259 1107 V HN 0.416 nan 8.190 nan 0.000 0.742 1108 A N 1.193 124.058 122.820 0.075 0.000 2.322 1108 A HA 0.708 5.028 4.320 -0.000 0.000 0.269 1108 A C 0.968 178.544 177.584 -0.014 0.000 1.094 1108 A CA 0.325 52.385 52.037 0.040 0.000 0.807 1108 A CB 0.903 19.940 19.000 0.062 0.000 1.047 1108 A HN 0.540 nan 8.150 nan 0.000 0.487 1109 K N 1.045 121.430 120.400 -0.025 0.000 2.137 1109 K HA -0.034 4.286 4.320 -0.000 0.000 0.202 1109 K C 0.356 176.939 176.600 -0.029 0.000 1.052 1109 K CA 1.459 57.717 56.287 -0.049 0.000 0.961 1109 K CB 0.024 32.496 32.500 -0.046 0.000 0.741 1109 K HN 0.790 nan 8.250 nan 0.000 0.452 1110 N N 3.261 121.956 118.700 -0.007 0.000 3.034 1110 N HA 0.052 4.792 4.740 -0.000 0.000 0.265 1110 N C -0.349 175.171 175.510 0.016 0.000 1.166 1110 N CA -0.074 52.977 53.050 0.002 0.000 1.081 1110 N CB -0.011 38.478 38.487 0.004 0.000 1.378 1110 N HN 0.207 nan 8.380 nan 0.000 0.520 1111 M N -0.590 119.022 119.600 0.020 0.000 2.242 1111 M HA 0.228 4.708 4.480 -0.000 0.000 0.344 1111 M C 0.909 177.226 176.300 0.028 0.000 1.140 1111 M CA -0.327 54.995 55.300 0.037 0.000 1.160 1111 M CB 1.258 33.892 32.600 0.056 0.000 1.491 1111 M HN 0.062 nan 8.290 nan 0.000 0.459 1112 K N 0.783 121.201 120.400 0.031 0.000 2.063 1112 K HA -0.044 4.276 4.320 -0.000 0.000 0.208 1112 K C 0.191 176.805 176.600 0.022 0.000 1.048 1112 K CA 1.391 57.692 56.287 0.024 0.000 0.928 1112 K CB -0.179 32.335 32.500 0.023 0.000 0.713 1112 K HN 0.757 nan 8.250 nan 0.000 0.442 1113 T N 2.148 116.719 114.554 0.028 0.000 2.788 1113 T HA 0.144 4.494 4.350 -0.000 0.000 0.296 1113 T C -1.971 172.746 174.700 0.027 0.000 1.009 1113 T CA -1.543 60.573 62.100 0.027 0.000 0.949 1113 T CB 1.904 70.792 68.868 0.033 0.000 0.946 1113 T HN 0.026 nan 8.240 nan 0.000 0.453 1114 P HA 0.033 nan 4.420 nan 0.000 0.214 1114 P C 0.775 178.077 177.300 0.003 0.000 1.163 1114 P CA 0.355 63.460 63.100 0.008 0.000 0.881 1114 P CB 0.066 31.766 31.700 0.000 0.000 0.775 1115 S N -0.311 115.393 115.700 0.007 0.000 3.229 1115 S HA -0.061 4.409 4.470 -0.000 0.000 0.717 1115 S C -0.429 174.165 174.600 -0.011 0.000 2.619 1115 S CA 0.974 59.180 58.200 0.010 0.000 2.726 1115 S CB -0.900 62.318 63.200 0.029 0.000 0.300 1115 S HN 0.522 nan 8.310 nan 0.000 1.474 1116 L N -1.097 120.128 121.223 0.002 0.000 2.940 1116 L HA 0.709 5.049 4.340 -0.000 0.000 0.247 1116 L C -0.503 176.390 176.870 0.037 0.000 0.970 1116 L CA -0.478 54.357 54.840 -0.009 0.000 1.003 1116 L CB 1.068 43.113 42.059 -0.023 0.000 1.552 1116 L HN 0.572 nan 8.230 nan 0.000 0.432 1117 T N 1.810 116.417 114.554 0.087 0.000 2.895 1117 T HA 0.876 5.226 4.350 -0.000 0.000 0.283 1117 T C -0.381 174.350 174.700 0.052 0.000 1.014 1117 T CA -0.213 61.925 62.100 0.063 0.000 1.037 1117 T CB 1.841 70.794 68.868 0.141 0.000 1.006 1117 T HN 1.283 nan 8.240 nan 0.000 0.468 1118 V N 0.281 120.138 119.914 -0.094 0.000 2.760 1118 V HA 0.705 4.825 4.120 -0.000 0.000 0.309 1118 V C -1.777 174.222 176.094 -0.158 0.000 1.077 1118 V CA -1.218 61.078 62.300 -0.007 0.000 0.910 1118 V CB 0.987 32.826 31.823 0.027 0.000 1.008 1118 V HN 0.781 nan 8.190 nan 0.000 0.424 1119 Y N 3.140 123.505 120.300 0.107 0.000 2.420 1119 Y HA 0.775 5.325 4.550 -0.000 0.000 0.334 1119 Y C 0.422 176.377 175.900 0.092 0.000 1.094 1119 Y CA -0.994 57.169 58.100 0.106 0.000 1.126 1119 Y CB 1.426 39.953 38.460 0.112 0.000 1.217 1119 Y HN 0.568 nan 8.280 nan 0.000 0.462 1120 L N 0.650 122.011 121.223 0.230 0.000 2.348 1120 L HA 0.061 4.400 4.340 -0.000 0.000 0.200 1120 L C 0.521 177.494 176.870 0.171 0.000 1.154 1120 L CA -0.043 54.904 54.840 0.178 0.000 0.856 1120 L CB -0.086 42.082 42.059 0.182 0.000 1.297 1120 L HN 0.622 nan 8.230 nan 0.000 0.550 1121 E N -0.489 119.811 120.200 0.165 0.000 2.216 1121 E HA 0.195 4.545 4.350 -0.000 0.000 0.279 1121 E C -1.823 174.809 176.600 0.053 0.000 0.997 1121 E CA -1.637 54.837 56.400 0.124 0.000 0.817 1121 E CB 1.323 31.132 29.700 0.182 0.000 1.096 1121 E HN 0.248 nan 8.360 nan 0.000 0.393 1122 P HA -0.308 nan 4.420 nan 0.000 0.218 1122 P C 0.979 178.234 177.300 -0.076 0.000 1.018 1122 P CA 2.393 65.476 63.100 -0.027 0.000 1.016 1122 P CB -0.014 31.660 31.700 -0.043 0.000 0.748 1123 G N -2.118 106.557 108.800 -0.208 0.000 2.443 1123 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.219 1123 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.219 1123 G C 0.350 175.093 174.900 -0.262 0.000 1.131 1123 G CA 0.534 45.467 45.100 -0.279 0.000 0.775 1123 G HN 0.415 nan 8.290 nan 0.000 0.547 1124 H N 0.512 119.614 119.070 0.053 0.000 2.820 1124 H HA 0.621 5.177 4.556 -0.000 0.000 0.278 1124 H C 0.646 176.029 175.328 0.091 0.000 1.142 1124 H CA 0.071 56.155 56.048 0.061 0.000 1.346 1124 H CB 1.093 30.883 29.762 0.046 0.000 1.438 1124 H HN 0.220 nan 8.280 nan 0.000 0.473 1125 A N 2.760 125.698 122.820 0.197 0.000 1.780 1125 A HA 0.411 4.731 4.320 -0.000 0.000 0.178 1125 A C 1.893 179.644 177.584 0.278 0.000 2.054 1125 A CA 0.468 52.630 52.037 0.207 0.000 1.289 1125 A CB -0.769 18.318 19.000 0.146 0.000 0.942 1125 A HN 0.526 nan 8.150 nan 0.000 0.659 1126 A N 0.086 123.042 122.820 0.227 0.000 2.272 1126 A HA -0.013 4.307 4.320 -0.000 0.000 0.213 1126 A C 0.418 178.166 177.584 0.273 0.000 1.183 1126 A CA 0.998 53.198 52.037 0.272 0.000 0.719 1126 A CB -0.684 18.416 19.000 0.166 0.000 0.771 1126 A HN 0.402 nan 8.150 nan 0.000 0.484 1127 D N 0.341 120.860 120.400 0.199 0.000 2.489 1127 D HA 0.132 4.771 4.640 -0.000 0.000 0.237 1127 D C 1.402 177.683 176.300 -0.032 0.000 1.212 1127 D CA 0.134 54.190 54.000 0.093 0.000 1.058 1127 D CB 0.529 41.381 40.800 0.086 0.000 1.098 1127 D HN 0.523 nan 8.370 nan 0.000 0.509 1128 Q N 2.682 122.427 119.800 -0.092 0.000 1.880 1128 Q HA -0.305 4.035 4.340 -0.000 0.000 0.243 1128 Q C 1.596 177.327 176.000 -0.449 0.000 1.047 1128 Q CA 2.384 57.924 55.803 -0.438 0.000 0.893 1128 Q CB -0.314 28.279 28.738 -0.241 0.000 0.999 1128 Q HN 0.551 nan 8.270 nan 0.000 0.419 1129 E N -1.045 118.992 120.200 -0.271 0.000 2.187 1129 E HA -0.339 4.011 4.350 -0.000 0.000 0.199 1129 E C 1.947 178.429 176.600 -0.197 0.000 1.004 1129 E CA 1.386 57.654 56.400 -0.221 0.000 0.813 1129 E CB -0.233 29.381 29.700 -0.145 0.000 0.736 1129 E HN 0.505 nan 8.360 nan 0.000 0.468 1130 Q N 0.464 120.165 119.800 -0.166 0.000 2.248 1130 Q HA -0.180 4.160 4.340 -0.000 0.000 0.208 1130 Q C 1.657 177.578 176.000 -0.132 0.000 0.984 1130 Q CA 1.850 57.572 55.803 -0.133 0.000 0.875 1130 Q CB -0.400 28.289 28.738 -0.082 0.000 0.910 1130 Q HN 0.364 nan 8.270 nan 0.000 0.433 1131 A N 0.527 123.231 122.820 -0.193 0.000 1.841 1131 A HA -0.186 4.134 4.320 -0.000 0.000 0.214 1131 A C 1.914 179.397 177.584 -0.169 0.000 1.195 1131 A CA 1.584 53.513 52.037 -0.179 0.000 0.611 1131 A CB -0.488 18.323 19.000 -0.315 0.000 0.835 1131 A HN 0.442 nan 8.150 nan 0.000 0.443 1132 K N -0.083 120.185 120.400 -0.219 0.000 2.001 1132 K HA -0.241 4.079 4.320 -0.000 0.000 0.223 1132 K C 1.776 178.296 176.600 -0.133 0.000 1.055 1132 K CA 1.966 58.142 56.287 -0.186 0.000 0.965 1132 K CB -0.897 31.490 32.500 -0.189 0.000 0.730 1132 K HN 0.454 nan 8.250 nan 0.000 0.449 1133 L N 0.937 122.087 121.223 -0.121 0.000 2.171 1133 L HA -0.266 4.074 4.340 -0.000 0.000 0.216 1133 L C 2.361 179.188 176.870 -0.072 0.000 1.084 1133 L CA 0.959 55.743 54.840 -0.093 0.000 0.771 1133 L CB -0.737 41.265 42.059 -0.096 0.000 0.890 1133 L HN 0.286 nan 8.230 nan 0.000 0.437 1134 I N -0.915 119.614 120.570 -0.068 0.000 2.480 1134 I HA -0.136 4.034 4.170 -0.000 0.000 0.251 1134 I C 2.612 178.708 176.117 -0.036 0.000 1.124 1134 I CA 0.949 62.225 61.300 -0.040 0.000 1.444 1134 I CB -1.209 36.777 38.000 -0.024 0.000 1.098 1134 I HN 0.363 nan 8.210 nan 0.000 0.428 1135 R N 2.311 122.778 120.500 -0.054 0.000 2.113 1135 R HA -0.210 4.130 4.340 -0.000 0.000 0.231 1135 R C 2.219 178.501 176.300 -0.030 0.000 1.129 1135 R CA 2.875 58.949 56.100 -0.044 0.000 0.915 1135 R CB -0.506 29.744 30.300 -0.084 0.000 0.837 1135 R HN 0.416 nan 8.270 nan 0.000 0.430 1136 S N -0.504 115.166 115.700 -0.051 0.000 2.626 1136 S HA -0.039 4.431 4.470 -0.000 0.000 0.245 1136 S C 1.390 175.977 174.600 -0.020 0.000 0.973 1136 S CA 0.845 59.022 58.200 -0.038 0.000 0.959 1136 S CB 0.058 63.222 63.200 -0.059 0.000 0.762 1136 S HN 0.550 nan 8.310 nan 0.000 0.539 1137 A N 0.372 123.184 122.820 -0.014 0.000 2.324 1137 A HA 0.449 4.769 4.320 -0.000 0.000 0.220 1137 A C 1.720 179.310 177.584 0.010 0.000 1.209 1137 A CA -0.073 51.961 52.037 -0.005 0.000 0.918 1137 A CB 0.094 19.087 19.000 -0.011 0.000 0.959 1137 A HN 0.485 nan 8.150 nan 0.000 0.507 1138 I N -0.283 120.296 120.570 0.015 0.000 2.900 1138 I HA 0.087 4.257 4.170 -0.000 0.000 0.251 1138 I C 1.121 177.265 176.117 0.046 0.000 1.102 1138 I CA 0.249 61.564 61.300 0.025 0.000 1.457 1138 I CB -1.557 36.455 38.000 0.021 0.000 1.285 1138 I HN 0.422 nan 8.210 nan 0.000 0.459 1139 E N 1.837 122.068 120.200 0.053 0.000 2.598 1139 E HA -0.250 4.100 4.350 -0.000 0.000 0.273 1139 E C -0.365 176.310 176.600 0.125 0.000 1.029 1139 E CA 0.511 56.960 56.400 0.081 0.000 0.985 1139 E CB 0.285 30.030 29.700 0.076 0.000 0.988 1139 E HN 0.254 nan 8.360 nan 0.000 0.460 1140 H N 1.982 121.058 119.070 0.010 0.000 2.556 1140 H HA 0.333 4.889 4.556 -0.000 0.000 0.310 1140 H C -1.319 174.012 175.328 0.004 0.000 1.057 1140 H CA -0.317 55.733 56.048 0.004 0.000 1.264 1140 H CB 0.883 30.646 29.762 0.002 0.000 1.404 1140 H HN 0.301 nan 8.280 nan 0.000 0.462 1141 T N 4.909 119.338 114.554 -0.208 0.000 2.807 1141 T HA 0.428 4.778 4.350 -0.000 0.000 0.279 1141 T C -0.446 174.060 174.700 -0.324 0.000 0.993 1141 T CA -0.782 61.177 62.100 -0.236 0.000 0.970 1141 T CB 1.034 69.845 68.868 -0.094 0.000 0.950 1141 T HN 0.728 nan 8.240 nan 0.000 0.441 1142 T N 0.786 115.167 114.554 -0.288 0.000 2.887 1142 T HA 0.468 4.817 4.350 -0.000 0.000 0.288 1142 T C 1.150 175.788 174.700 -0.103 0.000 1.021 1142 T CA -0.922 61.057 62.100 -0.202 0.000 1.000 1142 T CB 1.381 70.128 68.868 -0.201 0.000 1.034 1142 T HN 0.227 nan 8.240 nan 0.000 0.467 1143 L N 1.742 122.928 121.223 -0.063 0.000 2.064 1143 L HA -0.113 4.226 4.340 -0.000 0.000 0.216 1143 L C 2.563 179.417 176.870 -0.027 0.000 1.077 1143 L CA 2.097 56.917 54.840 -0.033 0.000 0.766 1143 L CB -0.820 41.236 42.059 -0.005 0.000 0.890 1143 L HN 0.953 nan 8.230 nan 0.000 0.435 1144 K N -0.943 119.442 120.400 -0.026 0.000 2.218 1144 K HA -0.185 4.135 4.320 -0.000 0.000 0.205 1144 K C 1.947 178.535 176.600 -0.021 0.000 1.046 1144 K CA 1.537 57.814 56.287 -0.016 0.000 0.933 1144 K CB -0.145 32.347 32.500 -0.013 0.000 0.728 1144 K HN 0.662 nan 8.250 nan 0.000 0.454 1145 S N -0.366 115.312 115.700 -0.037 0.000 2.489 1145 S HA -0.053 4.417 4.470 -0.000 0.000 0.228 1145 S C 1.586 176.173 174.600 -0.022 0.000 0.995 1145 S CA 0.732 58.912 58.200 -0.033 0.000 0.934 1145 S CB 0.170 63.340 63.200 -0.050 0.000 0.771 1145 S HN 0.224 nan 8.310 nan 0.000 0.522 1146 V N -1.751 118.149 119.914 -0.023 0.000 3.528 1146 V HA 0.338 4.458 4.120 -0.000 0.000 0.294 1146 V C 0.274 176.363 176.094 -0.008 0.000 1.404 1146 V CA -0.346 61.944 62.300 -0.017 0.000 1.065 1146 V CB -0.638 31.169 31.823 -0.027 0.000 0.904 1146 V HN 0.237 nan 8.190 nan 0.000 0.435 1147 T N 2.095 116.647 114.554 -0.003 0.000 2.882 1147 T HA 0.545 4.895 4.350 -0.000 0.000 0.287 1147 T C 1.010 175.716 174.700 0.011 0.000 0.992 1147 T CA -0.241 61.863 62.100 0.007 0.000 1.076 1147 T CB 2.085 70.959 68.868 0.011 0.000 0.961 1147 T HN -0.012 nan 8.240 nan 0.000 0.490 1148 I N 1.154 121.734 120.570 0.017 0.000 2.364 1148 I HA 0.364 4.534 4.170 -0.000 0.000 0.241 1148 I C 1.233 177.364 176.117 0.024 0.000 1.082 1148 I CA 0.646 61.957 61.300 0.019 0.000 1.401 1148 I CB -0.998 37.015 38.000 0.022 0.000 1.126 1148 I HN 0.677 nan 8.210 nan 0.000 0.429 1149 A N 0.028 122.867 122.820 0.032 0.000 2.610 1149 A HA 0.664 4.984 4.320 -0.000 0.000 0.291 1149 A C -0.772 176.841 177.584 0.048 0.000 1.086 1149 A CA -0.198 51.861 52.037 0.037 0.000 0.677 1149 A CB 1.294 20.318 19.000 0.040 0.000 1.278 1149 A HN 0.221 nan 8.150 nan 0.000 0.414 1150 S N -0.056 115.674 115.700 0.050 0.000 2.526 1150 S HA 0.855 5.325 4.470 -0.000 0.000 0.293 1150 S C -0.941 173.705 174.600 0.077 0.000 1.092 1150 S CA -0.585 57.653 58.200 0.063 0.000 0.980 1150 S CB 1.713 64.942 63.200 0.047 0.000 1.048 1150 S HN 0.694 nan 8.310 nan 0.000 0.483 1151 E N 1.012 121.287 120.200 0.125 0.000 2.356 1151 E HA 0.513 4.863 4.350 -0.000 0.000 0.275 1151 E C -1.312 175.407 176.600 0.198 0.000 0.904 1151 E CA -0.679 55.807 56.400 0.144 0.000 0.757 1151 E CB 2.287 32.153 29.700 0.277 0.000 1.232 1151 E HN 0.643 nan 8.360 nan 0.000 0.442 1152 I N 3.091 123.729 120.570 0.113 0.000 2.405 1152 I HA 0.312 4.482 4.170 -0.000 0.000 0.280 1152 I C -0.996 175.256 176.117 0.226 0.000 1.027 1152 I CA -0.619 60.788 61.300 0.178 0.000 1.161 1152 I CB 0.210 38.249 38.000 0.064 0.000 1.300 1152 I HN 0.398 nan 8.210 nan 0.000 0.463 1153 Y N 4.278 124.699 120.300 0.202 0.000 2.392 1153 Y HA 0.268 4.818 4.550 -0.000 0.000 0.323 1153 Y C -0.221 175.891 175.900 0.353 0.000 1.291 1153 Y CA -0.483 57.760 58.100 0.239 0.000 1.345 1153 Y CB 0.816 39.355 38.460 0.133 0.000 1.320 1153 Y HN 0.376 nan 8.280 nan 0.000 0.518 1154 Y N 1.977 122.476 120.300 0.332 0.000 2.593 1154 Y HA 0.328 4.878 4.550 -0.000 0.000 0.331 1154 Y C -1.020 174.860 175.900 -0.034 0.000 0.986 1154 Y CA -0.732 57.367 58.100 -0.002 0.000 1.262 1154 Y CB 0.305 38.693 38.460 -0.120 0.000 1.098 1154 Y HN 0.507 nan 8.280 nan 0.000 0.506 1155 D N 8.661 128.766 120.400 -0.493 0.000 2.389 1155 D HA 0.229 4.869 4.640 -0.000 0.000 0.256 1155 D C -2.263 173.744 176.300 -0.488 0.000 1.239 1155 D CA -1.646 52.135 54.000 -0.366 0.000 0.925 1155 D CB 2.157 42.873 40.800 -0.140 0.000 1.145 1155 D HN 0.314 nan 8.370 nan 0.000 0.542 1156 P HA 0.035 nan 4.420 nan 0.000 0.236 1156 P C 0.097 177.260 177.300 -0.229 0.000 1.177 1156 P CA 0.221 63.047 63.100 -0.457 0.000 0.773 1156 P CB 0.669 32.097 31.700 -0.453 0.000 0.878 1157 D N 2.056 122.354 120.400 -0.171 0.000 2.499 1157 D HA 0.141 4.781 4.640 -0.000 0.000 0.225 1157 D C -1.780 174.473 176.300 -0.078 0.000 1.124 1157 D CA -2.456 51.483 54.000 -0.102 0.000 0.938 1157 D CB 0.414 41.170 40.800 -0.074 0.000 1.014 1157 D HN 0.103 nan 8.370 nan 0.000 0.517 1158 P HA 0.048 nan 4.420 nan 0.000 0.262 1158 P C -0.139 177.171 177.300 0.017 0.000 1.647 1158 P CA 0.187 63.265 63.100 -0.037 0.000 0.865 1158 P CB 0.089 31.742 31.700 -0.077 0.000 1.834 1159 R N -0.852 119.652 120.500 0.006 0.000 2.425 1159 R HA 0.149 4.489 4.340 -0.000 0.000 0.299 1159 R C -0.286 175.997 176.300 -0.029 0.000 0.830 1159 R CA 0.066 56.170 56.100 0.006 0.000 1.052 1159 R CB 0.676 30.957 30.300 -0.032 0.000 1.747 1159 R HN 0.325 nan 8.270 nan 0.000 0.472 1160 S N -0.862 114.824 115.700 -0.023 0.000 2.606 1160 S HA 0.343 4.813 4.470 -0.000 0.000 0.290 1160 S C -0.884 173.695 174.600 -0.035 0.000 1.103 1160 S CA -0.721 57.460 58.200 -0.031 0.000 0.870 1160 S CB 2.306 65.482 63.200 -0.039 0.000 1.077 1160 S HN -0.104 nan 8.310 nan 0.000 0.448 1161 T N 2.036 116.569 114.554 -0.035 0.000 2.885 1161 T HA 0.458 4.808 4.350 -0.000 0.000 0.285 1161 T C 1.124 175.801 174.700 -0.037 0.000 1.019 1161 T CA -0.653 61.419 62.100 -0.048 0.000 1.010 1161 T CB 1.618 70.447 68.868 -0.065 0.000 1.022 1161 T HN 0.738 nan 8.240 nan 0.000 0.466 1162 V N 2.497 122.395 119.914 -0.026 0.000 3.330 1162 V HA 0.042 4.162 4.120 -0.000 0.000 0.273 1162 V C 0.659 176.754 176.094 0.002 0.000 1.179 1162 V CA 1.134 63.441 62.300 0.012 0.000 1.174 1162 V CB -1.233 30.631 31.823 0.068 0.000 0.794 1162 V HN 0.637 nan 8.190 nan 0.000 0.527 1163 I N 1.985 122.525 120.570 -0.051 0.000 2.354 1163 I HA 0.262 4.432 4.170 -0.000 0.000 0.292 1163 I C -0.984 175.108 176.117 -0.042 0.000 0.989 1163 I CA -1.958 59.301 61.300 -0.068 0.000 1.188 1163 I CB 2.175 40.070 38.000 -0.174 0.000 1.342 1163 I HN -0.030 nan 8.210 nan 0.000 0.457 1164 P HA -0.114 nan 4.420 nan 0.000 0.217 1164 P C 0.709 178.001 177.300 -0.014 0.000 1.151 1164 P CA 1.344 64.437 63.100 -0.011 0.000 0.828 1164 P CB 0.294 31.995 31.700 0.001 0.000 0.788 1165 E N -0.427 119.763 120.200 -0.017 0.000 2.511 1165 E HA -0.061 4.289 4.350 -0.000 0.000 0.196 1165 E C 0.691 177.280 176.600 -0.019 0.000 1.066 1165 E CA 0.450 56.842 56.400 -0.013 0.000 0.871 1165 E CB -0.260 29.435 29.700 -0.009 0.000 0.863 1165 E HN 0.295 nan 8.360 nan 0.000 0.520 1166 D N 0.282 120.662 120.400 -0.034 0.000 2.423 1166 D HA -0.003 4.637 4.640 -0.000 0.000 0.212 1166 D C 1.259 177.548 176.300 -0.019 0.000 1.060 1166 D CA 0.069 54.048 54.000 -0.035 0.000 0.872 1166 D CB 0.307 41.065 40.800 -0.070 0.000 1.012 1166 D HN 0.085 nan 8.370 nan 0.000 0.503 1167 E N 1.037 121.226 120.200 -0.018 0.000 2.068 1167 E HA -0.317 4.033 4.350 -0.000 0.000 0.207 1167 E C 1.738 178.339 176.600 0.002 0.000 1.032 1167 E CA 1.306 57.700 56.400 -0.011 0.000 0.839 1167 E CB -0.070 29.622 29.700 -0.014 0.000 0.758 1167 E HN 0.375 nan 8.360 nan 0.000 0.457 1168 E N 0.613 120.816 120.200 0.005 0.000 2.130 1168 E HA -0.224 4.126 4.350 -0.000 0.000 0.196 1168 E C 2.099 178.719 176.600 0.033 0.000 0.998 1168 E CA 1.052 57.461 56.400 0.015 0.000 0.806 1168 E CB -0.118 29.590 29.700 0.013 0.000 0.738 1168 E HN 0.276 nan 8.360 nan 0.000 0.459 1169 I N 0.631 121.220 120.570 0.031 0.000 2.286 1169 I HA -0.295 3.874 4.170 -0.000 0.000 0.248 1169 I C 2.222 178.388 176.117 0.082 0.000 1.115 1169 I CA 1.023 62.349 61.300 0.043 0.000 1.392 1169 I CB -0.279 37.730 38.000 0.014 0.000 1.065 1169 I HN 0.209 nan 8.210 nan 0.000 0.418 1170 I N 0.155 120.780 120.570 0.091 0.000 2.233 1170 I HA -0.248 3.921 4.170 -0.000 0.000 0.243 1170 I C 2.537 178.833 176.117 0.297 0.000 1.093 1170 I CA 1.152 62.569 61.300 0.195 0.000 1.380 1170 I CB -0.689 37.403 38.000 0.154 0.000 1.067 1170 I HN 0.203 nan 8.210 nan 0.000 0.413 1171 Q N 1.090 120.963 119.800 0.121 0.000 2.152 1171 Q HA -0.166 4.173 4.340 -0.000 0.000 0.206 1171 Q C 1.889 177.978 176.000 0.149 0.000 0.985 1171 Q CA 1.387 57.217 55.803 0.044 0.000 0.863 1171 Q CB -0.281 28.449 28.738 -0.012 0.000 0.904 1171 Q HN 0.561 nan 8.270 nan 0.000 0.422 1172 L N 0.158 121.476 121.223 0.158 0.000 2.645 1172 L HA 0.059 4.399 4.340 -0.000 0.000 0.234 1172 L C 0.951 177.910 176.870 0.147 0.000 1.165 1172 L CA 0.028 54.944 54.840 0.127 0.000 0.944 1172 L CB -0.035 42.064 42.059 0.067 0.000 1.149 1172 L HN 0.228 nan 8.230 nan 0.000 0.446 1173 H N -0.657 118.543 119.070 0.217 0.000 2.591 1173 H HA 0.220 4.776 4.556 -0.000 0.000 0.241 1173 H C -0.191 175.069 175.328 -0.113 0.000 1.292 1173 H CA -0.093 55.971 56.048 0.026 0.000 1.022 1173 H CB 0.507 30.201 29.762 -0.114 0.000 1.875 1173 H HN 0.201 nan 8.280 nan 0.000 0.570 1174 F N -0.984 118.980 119.950 0.024 0.000 2.938 1174 F HA 0.095 4.622 4.527 -0.000 0.000 0.370 1174 F C 1.078 176.870 175.800 -0.014 0.000 0.981 1174 F CA -0.121 57.895 58.000 0.026 0.000 1.108 1174 F CB 0.584 39.600 39.000 0.026 0.000 1.086 1174 F HN 0.058 nan 8.300 nan 0.000 0.569 1175 S N 0.119 115.893 115.700 0.124 0.000 2.759 1175 S HA 0.745 5.214 4.470 -0.000 0.000 0.310 1175 S C -0.236 174.354 174.600 -0.018 0.000 1.123 1175 S CA -0.809 57.421 58.200 0.049 0.000 0.959 1175 S CB 1.458 64.689 63.200 0.051 0.000 1.172 1175 S HN 0.030 nan 8.310 nan 0.000 0.539 1188 Q N 1.192 120.939 119.800 -0.088 0.000 2.214 1188 Q HA 0.620 4.960 4.340 -0.000 0.000 0.168 1188 Q C -0.651 175.325 176.000 -0.040 0.000 1.047 1188 Q CA -0.178 55.580 55.803 -0.075 0.000 1.102 1188 Q CB 1.133 29.795 28.738 -0.126 0.000 1.458 1188 Q HN 0.203 nan 8.270 nan 0.000 0.561 1189 S N -0.249 115.439 115.700 -0.020 0.000 2.568 1189 S HA 0.388 4.858 4.470 -0.000 0.000 0.302 1189 S C -2.159 172.400 174.600 -0.069 0.000 1.082 1189 S CA -1.935 56.266 58.200 0.002 0.000 1.009 1189 S CB 1.113 64.371 63.200 0.096 0.000 1.069 1189 S HN 0.396 nan 8.310 nan 0.000 0.500 1190 P HA 0.121 nan 4.420 nan 0.000 0.245 1190 P C -0.515 176.465 177.300 -0.533 0.000 1.206 1190 P CA 0.074 62.907 63.100 -0.445 0.000 0.781 1190 P CB -0.005 31.328 31.700 -0.611 0.000 0.994 1191 W N 0.916 122.168 121.300 -0.080 0.000 2.331 1191 W HA 0.406 5.066 4.660 -0.000 0.000 0.306 1191 W C 0.249 176.766 176.519 -0.004 0.000 1.162 1191 W CA -0.906 56.430 57.345 -0.014 0.000 1.232 1191 W CB 0.732 30.218 29.460 0.043 0.000 1.235 1191 W HN -0.131 nan 8.180 nan 0.000 0.479 1192 L N 5.029 126.443 121.223 0.318 0.000 2.344 1192 L HA 0.650 4.990 4.340 -0.000 0.000 0.272 1192 L C -1.084 175.916 176.870 0.217 0.000 1.035 1192 L CA -0.939 54.023 54.840 0.202 0.000 0.807 1192 L CB 1.205 43.346 42.059 0.137 0.000 1.237 1192 L HN 0.308 nan 8.230 nan 0.000 0.442 1193 L N 4.229 125.532 121.223 0.135 0.000 2.404 1193 L HA 0.590 4.930 4.340 -0.000 0.000 0.272 1193 L C -0.970 175.955 176.870 0.091 0.000 0.980 1193 L CA -0.281 54.627 54.840 0.114 0.000 0.836 1193 L CB 1.218 43.313 42.059 0.059 0.000 1.238 1193 L HN 0.732 nan 8.230 nan 0.000 0.408 1194 R N 4.768 125.344 120.500 0.126 0.000 2.637 1194 R HA 0.859 5.199 4.340 -0.000 0.000 0.291 1194 R C -1.779 174.573 176.300 0.086 0.000 0.963 1194 R CA -0.635 55.517 56.100 0.087 0.000 0.901 1194 R CB 1.320 31.661 30.300 0.069 0.000 1.160 1194 R HN 0.766 nan 8.270 nan 0.000 0.457 1195 L N 2.871 124.130 121.223 0.059 0.000 2.409 1195 L HA 0.447 4.787 4.340 -0.000 0.000 0.272 1195 L C -0.633 176.265 176.870 0.047 0.000 0.980 1195 L CA -0.654 54.219 54.840 0.055 0.000 0.826 1195 L CB 2.127 44.215 42.059 0.049 0.000 1.268 1195 L HN 0.649 nan 8.230 nan 0.000 0.407 1196 E N 3.907 124.134 120.200 0.045 0.000 2.134 1196 E HA 0.552 4.902 4.350 -0.000 0.000 0.278 1196 E C -1.241 175.376 176.600 0.028 0.000 0.959 1196 E CA -0.557 55.865 56.400 0.037 0.000 0.783 1196 E CB 1.332 31.056 29.700 0.040 0.000 1.095 1196 E HN 0.474 nan 8.360 nan 0.000 0.399 1197 L N 2.419 123.655 121.223 0.022 0.000 2.400 1197 L HA 0.388 4.728 4.340 -0.000 0.000 0.264 1197 L C 0.288 177.164 176.870 0.009 0.000 1.061 1197 L CA -0.958 53.889 54.840 0.012 0.000 0.799 1197 L CB 0.960 43.021 42.059 0.003 0.000 1.240 1197 L HN 0.510 nan 8.230 nan 0.000 0.461 1198 D N 0.201 120.603 120.400 0.003 0.000 2.249 1198 D HA 0.149 4.789 4.640 -0.000 0.000 0.246 1198 D C 0.696 176.996 176.300 -0.001 0.000 1.114 1198 D CA -0.128 53.874 54.000 0.003 0.000 0.854 1198 D CB 1.664 42.466 40.800 0.003 0.000 1.132 1198 D HN 0.386 nan 8.370 nan 0.000 0.461 1199 R N 2.808 123.309 120.500 0.001 0.000 2.066 1199 R HA -0.103 4.237 4.340 -0.000 0.000 0.232 1199 R C 1.925 178.222 176.300 -0.004 0.000 1.131 1199 R CA 1.513 57.611 56.100 -0.002 0.000 0.955 1199 R CB -0.083 30.217 30.300 0.001 0.000 0.851 1199 R HN 0.540 nan 8.270 nan 0.000 0.432 1200 A N 0.812 123.632 122.820 -0.001 0.000 1.883 1200 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 1200 A C 2.349 179.933 177.584 0.001 0.000 1.186 1200 A CA 1.977 54.015 52.037 0.001 0.000 0.624 1200 A CB -0.970 18.032 19.000 0.004 0.000 0.822 1200 A HN 0.529 nan 8.150 nan 0.000 0.444 1201 A N -1.047 121.774 122.820 0.001 0.000 1.908 1201 A HA -0.156 4.163 4.320 -0.000 0.000 0.218 1201 A C 2.132 179.712 177.584 -0.006 0.000 1.181 1201 A CA 2.063 54.101 52.037 0.002 0.000 0.627 1201 A CB -0.503 18.497 19.000 -0.001 0.000 0.818 1201 A HN 0.445 nan 8.150 nan 0.000 0.445 1202 M N 0.157 119.749 119.600 -0.014 0.000 2.358 1202 M HA -0.058 4.422 4.480 -0.000 0.000 0.264 1202 M C 0.810 177.093 176.300 -0.027 0.000 1.064 1202 M CA 0.978 56.263 55.300 -0.025 0.000 1.093 1202 M CB -1.235 31.348 32.600 -0.028 0.000 1.401 1202 M HN 0.383 nan 8.290 nan 0.000 0.440 1203 N N -0.075 118.613 118.700 -0.021 0.000 2.280 1203 N HA -0.038 4.702 4.740 -0.000 0.000 0.192 1203 N C 1.139 176.632 175.510 -0.028 0.000 1.109 1203 N CA 0.342 53.376 53.050 -0.026 0.000 0.855 1203 N CB 0.239 38.714 38.487 -0.021 0.000 0.974 1203 N HN 0.418 nan 8.380 nan 0.000 0.482 1204 D N 0.914 121.305 120.400 -0.016 0.000 2.262 1204 D HA 0.027 4.667 4.640 -0.000 0.000 0.212 1204 D C -0.310 175.967 176.300 -0.037 0.000 0.964 1204 D CA 0.713 54.707 54.000 -0.010 0.000 0.875 1204 D CB 0.593 41.420 40.800 0.044 0.000 0.996 1204 D HN 0.106 nan 8.370 nan 0.000 0.497 1205 K N 2.014 122.400 120.400 -0.024 0.000 2.527 1205 K HA 0.182 4.502 4.320 -0.000 0.000 0.240 1205 K C -0.994 175.579 176.600 -0.045 0.000 0.989 1205 K CA -0.656 55.610 56.287 -0.035 0.000 0.985 1205 K CB 1.870 34.365 32.500 -0.008 0.000 1.221 1205 K HN -0.075 nan 8.250 nan 0.000 0.458 1206 D N 3.065 123.430 120.400 -0.058 0.000 2.877 1206 D HA -0.104 4.536 4.640 -0.000 0.000 0.220 1206 D C -0.208 176.058 176.300 -0.056 0.000 1.089 1206 D CA 1.318 55.283 54.000 -0.058 0.000 0.811 1206 D CB 0.493 41.255 40.800 -0.063 0.000 1.162 1206 D HN 0.369 nan 8.370 nan 0.000 0.513 1207 L N 1.689 122.877 121.223 -0.059 0.000 2.612 1207 L HA 0.249 4.589 4.340 -0.000 0.000 0.256 1207 L C -0.472 176.351 176.870 -0.079 0.000 0.949 1207 L CA -0.653 54.144 54.840 -0.071 0.000 0.867 1207 L CB 2.500 44.518 42.059 -0.069 0.000 1.417 1207 L HN 0.165 nan 8.230 nan 0.000 0.414 1208 T N 1.756 116.247 114.554 -0.106 0.000 2.861 1208 T HA 0.328 4.678 4.350 -0.000 0.000 0.287 1208 T C 0.988 175.566 174.700 -0.203 0.000 1.003 1208 T CA -0.698 61.328 62.100 -0.123 0.000 0.977 1208 T CB 1.953 70.755 68.868 -0.109 0.000 0.996 1208 T HN 0.430 nan 8.240 nan 0.000 0.448 1209 M N 1.736 121.205 119.600 -0.218 0.000 2.108 1209 M HA -0.114 4.366 4.480 -0.000 0.000 0.257 1209 M C 2.495 178.353 176.300 -0.737 0.000 1.071 1209 M CA 2.048 57.126 55.300 -0.370 0.000 1.093 1209 M CB -1.796 30.651 32.600 -0.255 0.000 1.345 1209 M HN 0.871 nan 8.290 nan 0.000 0.403 1210 G N -0.036 108.400 108.800 -0.606 0.000 2.529 1210 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.219 1210 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.219 1210 G C 1.460 176.025 174.900 -0.559 0.000 1.177 1210 G CA 1.055 45.770 45.100 -0.642 0.000 0.773 1210 G HN 0.569 nan 8.290 nan 0.000 0.573 1211 Q N -0.168 119.432 119.800 -0.333 0.000 1.891 1211 Q HA -0.125 4.215 4.340 -0.000 0.000 0.214 1211 Q C 2.853 178.691 176.000 -0.269 0.000 0.995 1211 Q CA 1.986 57.649 55.803 -0.234 0.000 0.866 1211 Q CB -0.794 27.850 28.738 -0.157 0.000 0.931 1211 Q HN 0.303 nan 8.270 nan 0.000 0.422 1212 V N 1.147 120.911 119.914 -0.249 0.000 2.242 1212 V HA -0.366 3.754 4.120 -0.000 0.000 0.257 1212 V C 2.207 178.160 176.094 -0.236 0.000 1.073 1212 V CA 2.256 64.435 62.300 -0.201 0.000 1.058 1212 V CB -1.828 29.887 31.823 -0.181 0.000 0.664 1212 V HN 0.674 nan 8.190 nan 0.000 0.451 1213 G N -0.976 107.547 108.800 -0.462 0.000 2.524 1213 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.215 1213 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.215 1213 G C 1.380 176.110 174.900 -0.284 0.000 1.239 1213 G CA 0.879 45.682 45.100 -0.495 0.000 0.798 1213 G HN 0.501 nan 8.290 nan 0.000 0.557 1214 E N 0.203 120.150 120.200 -0.421 0.000 2.172 1214 E HA -0.293 4.057 4.350 -0.000 0.000 0.213 1214 E C 2.543 179.136 176.600 -0.012 0.000 1.051 1214 E CA 1.678 58.023 56.400 -0.091 0.000 0.860 1214 E CB -0.202 29.436 29.700 -0.103 0.000 0.755 1214 E HN 0.235 nan 8.360 nan 0.000 0.462 1215 R N 0.666 121.133 120.500 -0.055 0.000 2.070 1215 R HA -0.078 4.262 4.340 -0.000 0.000 0.232 1215 R C 2.494 178.818 176.300 0.039 0.000 1.138 1215 R CA 1.461 57.553 56.100 -0.013 0.000 0.936 1215 R CB -0.850 29.428 30.300 -0.036 0.000 0.839 1215 R HN 0.214 nan 8.270 nan 0.000 0.429 1216 I N 0.666 121.271 120.570 0.059 0.000 2.185 1216 I HA -0.365 3.805 4.170 -0.000 0.000 0.246 1216 I C 2.465 178.727 176.117 0.241 0.000 1.088 1216 I CA 1.880 63.277 61.300 0.160 0.000 1.347 1216 I CB -0.479 37.620 38.000 0.164 0.000 1.041 1216 I HN 0.237 nan 8.210 nan 0.000 0.415 1217 K N 1.299 121.817 120.400 0.196 0.000 2.097 1217 K HA -0.206 4.114 4.320 -0.000 0.000 0.206 1217 K C 1.945 178.650 176.600 0.175 0.000 1.049 1217 K CA 1.517 57.923 56.287 0.199 0.000 0.933 1217 K CB -0.027 32.595 32.500 0.203 0.000 0.717 1217 K HN 0.547 nan 8.250 nan 0.000 0.442 1218 Q N -0.884 118.991 119.800 0.125 0.000 2.280 1218 Q HA 0.059 4.399 4.340 -0.000 0.000 0.202 1218 Q C 0.500 176.531 176.000 0.052 0.000 0.903 1218 Q CA 0.454 56.307 55.803 0.084 0.000 0.948 1218 Q CB 0.705 29.475 28.738 0.055 0.000 1.058 1218 Q HN 0.084 nan 8.270 nan 0.000 0.493 1219 T N -0.248 114.347 114.554 0.068 0.000 2.983 1219 T HA 0.100 4.450 4.350 -0.000 0.000 0.250 1219 T C 0.743 175.329 174.700 -0.190 0.000 1.037 1219 T CA 0.645 62.690 62.100 -0.091 0.000 1.142 1219 T CB -0.040 68.736 68.868 -0.153 0.000 0.876 1219 T HN 0.299 nan 8.240 nan 0.000 0.455 1220 F N 0.881 120.851 119.950 0.033 0.000 2.622 1220 F HA 0.413 4.940 4.527 -0.000 0.000 0.288 1220 F C 1.303 177.126 175.800 0.037 0.000 1.120 1220 F CA -0.372 57.649 58.000 0.035 0.000 1.423 1220 F CB -0.030 38.994 39.000 0.040 0.000 1.127 1220 F HN -0.021 nan 8.300 nan 0.000 0.588 1221 K N -0.242 120.296 120.400 0.229 0.000 3.733 1221 K HA -0.300 4.019 4.320 -0.000 0.000 0.163 1221 K C -0.447 176.234 176.600 0.136 0.000 1.148 1221 K CA 1.445 57.819 56.287 0.145 0.000 0.476 1221 K CB -1.332 31.228 32.500 0.100 0.000 0.693 1221 K HN 0.064 nan 8.250 nan 0.000 0.685 1222 N N 2.643 121.408 118.700 0.108 0.000 3.322 1222 N HA 0.144 4.884 4.740 -0.000 0.000 0.290 1222 N C -1.227 174.335 175.510 0.087 0.000 1.297 1222 N CA 0.454 53.559 53.050 0.091 0.000 1.167 1222 N CB 0.256 38.783 38.487 0.067 0.000 1.434 1222 N HN 0.478 nan 8.380 nan 0.000 0.526 1223 D N 0.192 120.650 120.400 0.097 0.000 4.198 1223 D HA 0.046 4.686 4.640 -0.000 0.000 0.248 1223 D C -0.857 175.468 176.300 0.041 0.000 1.482 1223 D CA -0.386 53.659 54.000 0.075 0.000 0.784 1223 D CB -0.821 40.031 40.800 0.087 0.000 1.375 1223 D HN 0.118 nan 8.370 nan 0.000 0.821 1224 L N 0.682 121.929 121.223 0.039 0.000 3.657 1224 L HA 0.410 4.750 4.340 -0.000 0.000 0.264 1224 L C -2.309 174.591 176.870 0.051 0.000 0.988 1224 L CA -0.631 54.193 54.840 -0.027 0.000 1.245 1224 L CB 1.087 43.004 42.059 -0.236 0.000 1.965 1224 L HN 0.033 nan 8.230 nan 0.000 0.626 1225 F N 5.997 125.895 119.950 -0.086 0.000 2.445 1225 F HA 0.723 5.250 4.527 -0.000 0.000 0.359 1225 F C -0.407 175.326 175.800 -0.113 0.000 1.101 1225 F CA -0.086 57.855 58.000 -0.098 0.000 1.177 1225 F CB 0.790 39.725 39.000 -0.109 0.000 1.110 1225 F HN 0.263 nan 8.300 nan 0.000 0.522 1226 V N 7.143 126.661 119.914 -0.659 0.000 2.864 1226 V HA 0.621 4.741 4.120 -0.000 0.000 0.314 1226 V C -0.038 175.551 176.094 -0.840 0.000 1.073 1226 V CA -0.903 61.079 62.300 -0.530 0.000 0.956 1226 V CB 2.007 33.746 31.823 -0.141 0.000 1.023 1226 V HN 0.657 nan 8.190 nan 0.000 0.435 1227 I N 1.256 121.472 120.570 -0.590 0.000 3.195 1227 I HA 0.740 4.910 4.170 -0.000 0.000 0.313 1227 I C -1.621 174.329 176.117 -0.279 0.000 1.237 1227 I CA -0.538 60.301 61.300 -0.769 0.000 0.963 1227 I CB 2.606 40.196 38.000 -0.683 0.000 1.278 1227 I HN 0.891 nan 8.210 nan 0.000 0.460 1228 W N 0.834 122.068 121.300 -0.109 0.000 3.275 1228 W HA 0.710 5.370 4.660 -0.000 0.000 0.306 1228 W C -0.908 175.607 176.519 -0.007 0.000 1.259 1228 W CA -0.970 56.345 57.345 -0.050 0.000 1.194 1228 W CB -0.129 29.308 29.460 -0.039 0.000 1.375 1228 W HN 0.554 nan 8.180 nan 0.000 0.564 1229 S N 0.103 115.969 115.700 0.278 0.000 2.640 1229 S HA 0.480 4.950 4.470 -0.000 0.000 0.262 1229 S C -0.246 174.497 174.600 0.238 0.000 1.232 1229 S CA -0.636 57.676 58.200 0.187 0.000 0.988 1229 S CB 0.989 64.253 63.200 0.107 0.000 1.034 1229 S HN 0.597 nan 8.310 nan 0.000 0.569 1230 E N 0.077 120.365 120.200 0.146 0.000 2.248 1230 E HA 0.193 4.543 4.350 -0.000 0.000 0.272 1230 E C 0.112 176.756 176.600 0.073 0.000 1.008 1230 E CA -0.571 55.901 56.400 0.121 0.000 0.856 1230 E CB 0.815 30.568 29.700 0.088 0.000 1.120 1230 E HN 0.585 nan 8.360 nan 0.000 0.397 1231 D N 1.384 121.815 120.400 0.051 0.000 2.309 1231 D HA -0.173 4.467 4.640 -0.000 0.000 0.212 1231 D C 1.144 177.456 176.300 0.020 0.000 0.968 1231 D CA 0.737 54.750 54.000 0.023 0.000 0.882 1231 D CB 0.211 41.014 40.800 0.006 0.000 0.918 1231 D HN 0.402 nan 8.370 nan 0.000 0.503 1232 N N 1.206 119.922 118.700 0.026 0.000 2.207 1232 N HA -0.095 4.645 4.740 -0.000 0.000 0.182 1232 N C 0.088 175.611 175.510 0.021 0.000 1.020 1232 N CA 0.450 53.512 53.050 0.020 0.000 0.858 1232 N CB 0.273 38.773 38.487 0.021 0.000 0.991 1232 N HN 0.017 nan 8.380 nan 0.000 0.427 1233 D N 1.511 121.928 120.400 0.029 0.000 2.525 1233 D HA -0.098 4.542 4.640 -0.000 0.000 0.235 1233 D C 1.046 177.359 176.300 0.022 0.000 1.137 1233 D CA 0.316 54.332 54.000 0.028 0.000 0.868 1233 D CB 0.707 41.529 40.800 0.037 0.000 1.180 1233 D HN 0.502 nan 8.370 nan 0.000 0.465 1234 E N 1.448 121.659 120.200 0.018 0.000 2.463 1234 E HA -0.125 4.225 4.350 -0.000 0.000 0.201 1234 E C -0.175 176.435 176.600 0.017 0.000 1.045 1234 E CA 0.855 57.264 56.400 0.015 0.000 0.872 1234 E CB 0.145 29.853 29.700 0.013 0.000 0.797 1234 E HN 0.241 nan 8.360 nan 0.000 0.538 1235 K N 1.204 121.616 120.400 0.021 0.000 2.578 1235 K HA 0.342 4.662 4.320 -0.000 0.000 0.250 1235 K C -1.101 175.517 176.600 0.030 0.000 0.955 1235 K CA -0.508 55.793 56.287 0.023 0.000 0.825 1235 K CB 2.026 34.538 32.500 0.020 0.000 1.151 1235 K HN 0.020 nan 8.250 nan 0.000 0.432 1236 L N 5.344 126.585 121.223 0.029 0.000 2.313 1236 L HA 0.475 4.815 4.340 -0.000 0.000 0.282 1236 L C -0.102 176.793 176.870 0.042 0.000 1.092 1236 L CA -0.132 54.730 54.840 0.037 0.000 0.831 1236 L CB 0.131 42.203 42.059 0.021 0.000 1.159 1236 L HN 0.456 nan 8.230 nan 0.000 0.442 1237 I N 4.074 124.681 120.570 0.062 0.000 2.994 1237 I HA 0.493 4.663 4.170 -0.000 0.000 0.306 1237 I C -0.816 175.357 176.117 0.093 0.000 1.195 1237 I CA -0.615 60.719 61.300 0.058 0.000 1.001 1237 I CB 3.038 41.058 38.000 0.033 0.000 1.244 1237 I HN 0.407 nan 8.210 nan 0.000 0.437 1238 I N 3.349 123.964 120.570 0.075 0.000 2.529 1238 I HA 0.411 4.581 4.170 -0.000 0.000 0.284 1238 I C -0.568 175.570 176.117 0.035 0.000 1.088 1238 I CA -0.429 60.930 61.300 0.097 0.000 1.062 1238 I CB 1.818 39.888 38.000 0.116 0.000 1.218 1238 I HN 0.466 nan 8.210 nan 0.000 0.442 1239 R N 4.336 124.827 120.500 -0.016 0.000 2.674 1239 R HA 0.896 5.236 4.340 -0.000 0.000 0.266 1239 R C -1.024 175.230 176.300 -0.078 0.000 1.016 1239 R CA -0.560 55.513 56.100 -0.045 0.000 1.062 1239 R CB 1.934 32.193 30.300 -0.069 0.000 1.142 1239 R HN 0.813 nan 8.270 nan 0.000 0.517 1240 C N -0.774 118.501 119.300 -0.043 0.000 3.274 1240 C HA 0.461 4.921 4.460 -0.000 0.000 0.415 1240 C C -1.016 173.982 174.990 0.014 0.000 1.009 1240 C CA -1.344 57.644 59.018 -0.050 0.000 1.163 1240 C CB 1.047 28.739 27.740 -0.080 0.000 1.549 1240 C HN 0.883 nan 8.230 nan 0.000 0.599 1241 R N 1.939 122.477 120.500 0.064 0.000 2.711 1241 R HA 0.830 5.170 4.340 -0.000 0.000 0.284 1241 R C 0.133 176.463 176.300 0.051 0.000 0.968 1241 R CA -0.614 55.533 56.100 0.079 0.000 0.924 1241 R CB 2.032 32.391 30.300 0.098 0.000 1.162 1241 R HN 0.672 nan 8.270 nan 0.000 0.465 1242 V N 1.117 121.058 119.914 0.045 0.000 3.857 1242 V HA 0.332 4.452 4.120 -0.000 0.000 0.275 1242 V C 0.516 176.630 176.094 0.034 0.000 0.992 1242 V CA -0.134 62.178 62.300 0.022 0.000 0.998 1242 V CB 0.815 32.665 31.823 0.045 0.000 1.234 1242 V HN 0.600 nan 8.190 nan 0.000 0.438 1255 E N 0.184 120.417 120.200 0.055 0.000 2.824 1255 E HA -0.130 4.220 4.350 -0.000 0.000 0.196 1255 E C 0.301 176.919 176.600 0.030 0.000 1.325 1255 E CA 0.680 57.101 56.400 0.036 0.000 0.734 1255 E CB -0.975 28.727 29.700 0.003 0.000 1.131 1255 E HN 0.739 nan 8.360 nan 0.000 0.410 1256 E N 0.391 120.607 120.200 0.027 0.000 2.250 1256 E HA -0.091 4.258 4.350 -0.000 0.000 0.192 1256 E C 1.020 177.528 176.600 -0.154 0.000 0.986 1256 E CA 0.429 56.835 56.400 0.010 0.000 0.849 1256 E CB 0.205 30.022 29.700 0.195 0.000 0.797 1256 E HN 0.402 nan 8.360 nan 0.000 0.482 1257 D N 0.640 120.836 120.400 -0.340 0.000 2.097 1257 D HA -0.163 4.477 4.640 -0.000 0.000 0.197 1257 D C 1.934 178.135 176.300 -0.166 0.000 0.984 1257 D CA 0.900 54.644 54.000 -0.426 0.000 0.826 1257 D CB -0.297 40.174 40.800 -0.549 0.000 0.973 1257 D HN 0.207 nan 8.370 nan 0.000 0.460 1258 H N 0.940 119.914 119.070 -0.161 0.000 2.319 1258 H HA -0.096 4.460 4.556 -0.000 0.000 0.297 1258 H C 2.095 177.385 175.328 -0.064 0.000 1.097 1258 H CA 1.280 57.273 56.048 -0.092 0.000 1.285 1258 H CB -0.241 29.485 29.762 -0.061 0.000 1.368 1258 H HN 0.125 nan 8.280 nan 0.000 0.495 1259 M N -0.169 119.518 119.600 0.145 0.000 2.123 1259 M HA -0.112 4.368 4.480 -0.000 0.000 0.263 1259 M C 1.271 177.597 176.300 0.043 0.000 1.069 1259 M CA 0.697 56.054 55.300 0.095 0.000 1.133 1259 M CB 0.059 32.692 32.600 0.056 0.000 1.356 1259 M HN 0.152 nan 8.290 nan 0.000 0.415 1260 L N 1.139 122.359 121.223 -0.005 0.000 2.994 1260 L HA 0.013 4.353 4.340 -0.000 0.000 0.256 1260 L C 0.840 177.692 176.870 -0.029 0.000 1.315 1260 L CA 1.160 55.989 54.840 -0.018 0.000 1.143 1260 L CB -1.073 40.972 42.059 -0.023 0.000 1.530 1260 L HN 0.239 nan 8.230 nan 0.000 0.422 1261 K N -1.632 118.761 120.400 -0.012 0.000 2.711 1261 K HA 0.140 4.460 4.320 -0.000 0.000 0.197 1261 K C 1.656 178.263 176.600 0.012 0.000 1.535 1261 K CA -0.024 56.248 56.287 -0.024 0.000 1.170 1261 K CB 0.315 32.766 32.500 -0.081 0.000 1.596 1261 K HN 0.143 nan 8.250 nan 0.000 0.584 1262 K N 0.849 121.276 120.400 0.043 0.000 2.280 1262 K HA 0.035 4.355 4.320 -0.000 0.000 0.202 1262 K C 1.493 178.148 176.600 0.093 0.000 1.047 1262 K CA 1.026 57.355 56.287 0.070 0.000 0.942 1262 K CB 0.120 32.680 32.500 0.099 0.000 0.739 1262 K HN 0.204 nan 8.250 nan 0.000 0.457 1263 I N 0.471 121.094 120.570 0.088 0.000 3.251 1263 I HA -0.135 4.035 4.170 -0.000 0.000 0.277 1263 I C 2.258 178.435 176.117 0.100 0.000 1.268 1263 I CA 0.444 61.817 61.300 0.121 0.000 1.449 1263 I CB 0.002 38.019 38.000 0.029 0.000 1.083 1263 I HN 0.170 nan 8.210 nan 0.000 0.464 1264 E N 1.991 122.226 120.200 0.058 0.000 2.006 1264 E HA -0.217 4.133 4.350 -0.000 0.000 0.192 1264 E C 1.879 178.515 176.600 0.061 0.000 0.993 1264 E CA 1.765 58.193 56.400 0.047 0.000 0.808 1264 E CB -0.072 29.640 29.700 0.019 0.000 0.764 1264 E HN 0.270 nan 8.360 nan 0.000 0.449 1265 N N -0.021 118.710 118.700 0.053 0.000 2.006 1265 N HA -0.149 4.591 4.740 -0.000 0.000 0.196 1265 N C 1.891 177.441 175.510 0.067 0.000 1.057 1265 N CA 2.225 55.305 53.050 0.050 0.000 0.853 1265 N CB -1.190 37.321 38.487 0.039 0.000 1.051 1265 N HN 0.273 nan 8.380 nan 0.000 0.423 1266 T N 1.717 116.324 114.554 0.088 0.000 2.837 1266 T HA -0.160 4.190 4.350 -0.000 0.000 0.266 1266 T C 1.854 176.623 174.700 0.115 0.000 1.077 1266 T CA 1.105 63.262 62.100 0.095 0.000 1.133 1266 T CB -0.082 68.871 68.868 0.141 0.000 0.830 1266 T HN 0.267 nan 8.240 nan 0.000 0.512 1267 M N -0.502 119.188 119.600 0.150 0.000 2.447 1267 M HA 0.202 4.682 4.480 -0.000 0.000 0.266 1267 M C 2.029 178.375 176.300 0.077 0.000 1.120 1267 M CA 0.974 56.364 55.300 0.150 0.000 1.166 1267 M CB -0.120 32.579 32.600 0.165 0.000 1.349 1267 M HN 0.225 nan 8.290 nan 0.000 0.463 1268 L N -0.544 120.714 121.223 0.057 0.000 2.270 1268 L HA -0.078 4.262 4.340 -0.000 0.000 0.210 1268 L C 1.162 178.042 176.870 0.017 0.000 1.104 1268 L CA 1.038 55.896 54.840 0.031 0.000 0.804 1268 L CB -0.081 41.994 42.059 0.027 0.000 0.937 1268 L HN 0.316 nan 8.230 nan 0.000 0.450 1269 E N -1.418 118.796 120.200 0.023 0.000 2.676 1269 E HA 0.118 4.468 4.350 -0.000 0.000 0.222 1269 E C 0.267 176.880 176.600 0.022 0.000 0.968 1269 E CA -0.113 56.298 56.400 0.018 0.000 1.090 1269 E CB 0.615 30.328 29.700 0.021 0.000 1.066 1269 E HN 0.237 nan 8.360 nan 0.000 0.496 1270 N N 0.896 119.606 118.700 0.016 0.000 2.291 1270 N HA 0.265 5.005 4.740 -0.000 0.000 0.244 1270 N C -0.871 174.631 175.510 -0.013 0.000 1.216 1270 N CA 0.153 53.205 53.050 0.004 0.000 0.879 1270 N CB 1.433 39.914 38.487 -0.009 0.000 1.167 1270 N HN 0.123 nan 8.380 nan 0.000 0.515 1271 I N 0.493 121.062 120.570 -0.003 0.000 2.647 1271 I HA 0.306 4.475 4.170 -0.000 0.000 0.295 1271 I C -0.677 175.433 176.117 -0.012 0.000 1.078 1271 I CA -0.232 61.061 61.300 -0.013 0.000 1.048 1271 I CB 2.208 40.208 38.000 -0.001 0.000 1.239 1271 I HN -0.179 nan 8.210 nan 0.000 0.421 1272 T N 6.218 120.770 114.554 -0.003 0.000 2.930 1272 T HA 0.583 4.933 4.350 -0.000 0.000 0.290 1272 T C -0.055 174.635 174.700 -0.018 0.000 1.052 1272 T CA -0.435 61.664 62.100 -0.001 0.000 1.017 1272 T CB 2.266 71.183 68.868 0.081 0.000 1.137 1272 T HN 0.294 nan 8.240 nan 0.000 0.511 1273 L N 0.179 121.384 121.223 -0.029 0.000 3.517 1273 L HA 0.514 4.854 4.340 -0.000 0.000 0.192 1273 L C 0.695 177.554 176.870 -0.019 0.000 1.303 1273 L CA -0.120 54.699 54.840 -0.035 0.000 1.685 1273 L CB -0.288 41.737 42.059 -0.056 0.000 1.877 1273 L HN 0.361 nan 8.230 nan 0.000 0.882 1274 R N 0.317 120.804 120.500 -0.021 0.000 2.280 1274 R HA 0.585 4.925 4.340 -0.000 0.000 0.326 1274 R C -0.843 175.469 176.300 0.021 0.000 1.080 1274 R CA 0.071 56.166 56.100 -0.008 0.000 1.002 1274 R CB 0.203 30.489 30.300 -0.024 0.000 1.136 1274 R HN 0.583 nan 8.270 nan 0.000 0.509 1275 G N 0.708 109.537 108.800 0.049 0.000 2.325 1275 G HA2 0.231 4.191 3.960 -0.000 0.000 0.297 1275 G HA3 0.231 4.191 3.960 -0.000 0.000 0.297 1275 G C -1.645 173.311 174.900 0.095 0.000 1.448 1275 G CA -0.715 44.442 45.100 0.094 0.000 0.838 1275 G HN 0.241 nan 8.290 nan 0.000 0.579 1276 V N 0.117 120.072 119.914 0.068 0.000 2.994 1276 V HA 0.661 4.781 4.120 -0.000 0.000 0.318 1276 V C 0.545 176.579 176.094 -0.101 0.000 1.085 1276 V CA -0.725 61.574 62.300 -0.002 0.000 0.998 1276 V CB 1.724 33.542 31.823 -0.008 0.000 1.063 1276 V HN 1.069 nan 8.190 nan 0.000 0.447 1277 E N 1.585 121.675 120.200 -0.184 0.000 2.349 1277 E HA 0.297 4.647 4.350 -0.000 0.000 0.262 1277 E C 0.159 176.603 176.600 -0.260 0.000 1.088 1277 E CA -0.274 55.903 56.400 -0.373 0.000 0.899 1277 E CB 0.589 30.124 29.700 -0.276 0.000 1.044 1277 E HN 0.626 nan 8.360 nan 0.000 0.420 1278 N N 0.060 118.576 118.700 -0.307 0.000 1.861 1278 N HA -0.261 4.479 4.740 -0.000 0.000 0.216 1278 N C 0.167 175.639 175.510 -0.064 0.000 0.784 1278 N CA 1.971 54.940 53.050 -0.135 0.000 4.053 1278 N CB -1.510 36.925 38.487 -0.087 0.000 0.716 1278 N HN 0.642 nan 8.380 nan 0.000 0.274 1279 I N 3.306 123.844 120.570 -0.054 0.000 2.907 1279 I HA -0.127 4.042 4.170 -0.000 0.000 0.285 1279 I C 1.495 177.641 176.117 0.048 0.000 1.189 1279 I CA 0.997 62.296 61.300 -0.001 0.000 1.376 1279 I CB 0.087 38.088 38.000 0.002 0.000 1.420 1279 I HN 0.261 nan 8.210 nan 0.000 0.544 1280 E N 6.321 126.553 120.200 0.053 0.000 3.416 1280 E HA 0.270 4.620 4.350 -0.000 0.000 0.363 1280 E C 0.396 177.030 176.600 0.057 0.000 0.572 1280 E CA -0.785 55.661 56.400 0.076 0.000 1.746 1280 E CB 0.209 29.948 29.700 0.065 0.000 2.273 1280 E HN 0.480 nan 8.360 nan 0.000 0.514 1281 R N 0.894 121.412 120.500 0.031 0.000 2.655 1281 R HA 0.016 4.356 4.340 -0.000 0.000 0.266 1281 R C -0.807 175.524 176.300 0.052 0.000 0.981 1281 R CA 0.473 56.584 56.100 0.018 0.000 1.098 1281 R CB 0.202 30.496 30.300 -0.009 0.000 0.928 1281 R HN 0.115 nan 8.270 nan 0.000 0.425 1282 V N 3.000 122.969 119.914 0.091 0.000 2.671 1282 V HA 0.169 4.288 4.120 -0.000 0.000 0.292 1282 V C -0.199 175.981 176.094 0.143 0.000 1.115 1282 V CA -0.724 61.634 62.300 0.096 0.000 0.918 1282 V CB 1.690 33.565 31.823 0.086 0.000 1.036 1282 V HN 0.491 nan 8.190 nan 0.000 0.445 1283 V N 4.328 124.301 119.914 0.098 0.000 3.267 1283 V HA 0.666 4.785 4.120 -0.000 0.000 0.317 1283 V C -0.027 176.106 176.094 0.064 0.000 1.131 1283 V CA -0.887 61.481 62.300 0.114 0.000 1.031 1283 V CB 2.192 34.070 31.823 0.093 0.000 1.159 1283 V HN 0.799 nan 8.190 nan 0.000 0.454 1284 M N 1.873 121.525 119.600 0.087 0.000 2.518 1284 M HA 0.690 5.170 4.480 -0.000 0.000 0.300 1284 M C -1.391 174.996 176.300 0.146 0.000 1.175 1284 M CA -0.448 54.925 55.300 0.122 0.000 0.890 1284 M CB 2.313 35.012 32.600 0.165 0.000 1.710 1284 M HN 0.355 nan 8.290 nan 0.000 0.453 1285 M N 1.757 121.368 119.600 0.018 0.000 2.322 1285 M HA 0.329 4.809 4.480 -0.000 0.000 0.286 1285 M C -1.093 174.927 176.300 -0.466 0.000 1.111 1285 M CA -0.585 54.597 55.300 -0.196 0.000 0.941 1285 M CB 2.285 34.692 32.600 -0.321 0.000 1.671 1285 M HN 0.607 nan 8.290 nan 0.000 0.470 1286 K N 3.016 123.085 120.400 -0.552 0.000 2.127 1286 K HA 0.297 4.616 4.320 -0.000 0.000 0.261 1286 K C -0.976 175.511 176.600 -0.188 0.000 1.129 1286 K CA 0.102 55.953 56.287 -0.727 0.000 0.993 1286 K CB 0.135 32.128 32.500 -0.845 0.000 1.410 1286 K HN 0.542 nan 8.250 nan 0.000 0.380 1287 Y N 1.304 121.476 120.300 -0.214 0.000 2.314 1287 Y HA 0.023 4.573 4.550 -0.000 0.000 0.334 1287 Y C 0.642 176.502 175.900 -0.067 0.000 1.266 1287 Y CA -1.013 57.037 58.100 -0.084 0.000 1.391 1287 Y CB 0.887 39.347 38.460 -0.000 0.000 1.306 1287 Y HN 0.429 nan 8.280 nan 0.000 0.558 1288 D N 2.586 123.052 120.400 0.110 0.000 2.280 1288 D HA 0.264 4.904 4.640 -0.000 0.000 0.236 1288 D C -0.585 175.749 176.300 0.057 0.000 1.082 1288 D CA -0.301 53.729 54.000 0.049 0.000 0.834 1288 D CB 1.718 42.526 40.800 0.013 0.000 1.100 1288 D HN 0.397 nan 8.370 nan 0.000 0.486 1289 R N 1.812 122.355 120.500 0.073 0.000 2.686 1289 R HA 0.346 4.686 4.340 -0.000 0.000 0.283 1289 R C -0.878 175.471 176.300 0.083 0.000 0.978 1289 R CA -0.740 55.410 56.100 0.083 0.000 0.897 1289 R CB 1.762 32.129 30.300 0.111 0.000 1.192 1289 R HN 0.173 nan 8.270 nan 0.000 0.457 1290 K N 2.368 122.831 120.400 0.104 0.000 2.138 1290 K HA 0.593 4.913 4.320 -0.000 0.000 0.263 1290 K C -1.176 175.537 176.600 0.189 0.000 0.965 1290 K CA -0.829 55.556 56.287 0.162 0.000 0.868 1290 K CB 2.224 34.837 32.500 0.189 0.000 1.083 1290 K HN 0.247 nan 8.250 nan 0.000 0.443 1291 V N 2.954 122.951 119.914 0.139 0.000 3.225 1291 V HA 0.222 4.342 4.120 -0.000 0.000 0.293 1291 V C -2.659 173.255 176.094 -0.300 0.000 1.405 1291 V CA -2.034 60.236 62.300 -0.050 0.000 1.038 1291 V CB 2.655 34.459 31.823 -0.031 0.000 1.123 1291 V HN 0.607 nan 8.190 nan 0.000 0.447 1292 P HA 0.174 nan 4.420 nan 0.000 0.266 1292 P C -0.648 176.505 177.300 -0.244 0.000 1.215 1292 P CA 0.537 63.325 63.100 -0.520 0.000 0.763 1292 P CB 0.597 32.028 31.700 -0.449 0.000 0.806 1293 S N 4.768 120.359 115.700 -0.182 0.000 2.601 1293 S HA 0.274 4.744 4.470 -0.000 0.000 0.271 1293 S C -1.042 173.506 174.600 -0.086 0.000 1.305 1293 S CA -1.787 56.357 58.200 -0.092 0.000 1.022 1293 S CB 0.056 63.226 63.200 -0.050 0.000 0.940 1293 S HN 0.326 nan 8.310 nan 0.000 0.525 1294 P HA -0.088 nan 4.420 nan 0.000 0.220 1294 P C 1.353 178.631 177.300 -0.037 0.000 1.148 1294 P CA 1.194 64.266 63.100 -0.048 0.000 0.803 1294 P CB -0.314 31.367 31.700 -0.031 0.000 0.782 1295 T N -2.471 112.067 114.554 -0.026 0.000 3.007 1295 T HA 0.118 4.468 4.350 -0.000 0.000 0.270 1295 T C 1.464 176.157 174.700 -0.012 0.000 1.107 1295 T CA 1.951 64.045 62.100 -0.009 0.000 1.118 1295 T CB -0.697 68.173 68.868 0.002 0.000 0.889 1295 T HN 0.338 nan 8.240 nan 0.000 0.506 1296 G N 0.417 109.193 108.800 -0.040 0.000 2.491 1296 G HA2 -0.171 3.788 3.960 -0.000 0.000 0.203 1296 G HA3 -0.171 3.788 3.960 -0.000 0.000 0.203 1296 G C -0.016 174.856 174.900 -0.046 0.000 1.052 1296 G CA -0.043 45.026 45.100 -0.051 0.000 0.675 1296 G HN 0.639 nan 8.290 nan 0.000 0.504 1297 E N -0.304 119.896 120.200 -0.001 0.000 2.492 1297 E HA 0.272 4.622 4.350 -0.000 0.000 0.266 1297 E C -0.679 175.934 176.600 0.022 0.000 1.187 1297 E CA 0.349 56.779 56.400 0.049 0.000 1.036 1297 E CB 0.446 30.173 29.700 0.045 0.000 0.994 1297 E HN 0.379 nan 8.360 nan 0.000 0.468 1298 Y N -0.007 120.295 120.300 0.004 0.000 2.334 1298 Y HA 0.336 4.886 4.550 -0.000 0.000 0.336 1298 Y C -0.476 175.428 175.900 0.007 0.000 0.960 1298 Y CA -0.530 57.572 58.100 0.004 0.000 1.164 1298 Y CB 1.179 39.643 38.460 0.007 0.000 1.155 1298 Y HN 0.157 nan 8.280 nan 0.000 0.478 1299 V N 3.587 123.561 119.914 0.101 0.000 2.960 1299 V HA 0.351 4.471 4.120 -0.000 0.000 0.315 1299 V C -0.825 175.312 176.094 0.072 0.000 1.087 1299 V CA -1.778 60.568 62.300 0.077 0.000 0.982 1299 V CB 2.171 34.017 31.823 0.038 0.000 1.039 1299 V HN 0.610 nan 8.190 nan 0.000 0.437 1300 K N 1.375 121.809 120.400 0.057 0.000 2.110 1300 K HA 0.277 4.597 4.320 -0.000 0.000 0.260 1300 K C -0.174 176.448 176.600 0.035 0.000 1.126 1300 K CA 0.115 56.430 56.287 0.047 0.000 1.005 1300 K CB 0.453 32.974 32.500 0.035 0.000 1.336 1300 K HN 0.717 nan 8.250 nan 0.000 0.369 1301 E N 5.108 125.331 120.200 0.039 0.000 2.261 1301 E HA 0.142 4.492 4.350 -0.000 0.000 0.239 1301 E C -1.918 174.703 176.600 0.035 0.000 0.991 1301 E CA -2.507 53.912 56.400 0.033 0.000 0.847 1301 E CB 0.649 30.367 29.700 0.029 0.000 1.223 1301 E HN 0.466 nan 8.360 nan 0.000 0.446 1302 P HA -0.095 nan 4.420 nan 0.000 0.272 1302 P C -0.754 176.539 177.300 -0.011 0.000 1.239 1302 P CA 0.438 63.531 63.100 -0.010 0.000 0.807 1302 P CB 0.525 32.184 31.700 -0.070 0.000 0.951 1303 E N -1.765 118.403 120.200 -0.053 0.000 2.388 1303 E HA 0.397 4.747 4.350 -0.000 0.000 0.282 1303 E C -1.716 174.804 176.600 -0.133 0.000 1.026 1303 E CA -0.951 55.439 56.400 -0.017 0.000 0.820 1303 E CB 0.096 29.869 29.700 0.121 0.000 1.226 1303 E HN 0.264 nan 8.360 nan 0.000 0.432 1304 W N 1.672 122.976 121.300 0.007 0.000 2.237 1304 W HA 0.609 5.269 4.660 -0.000 0.000 0.335 1304 W C -0.428 176.015 176.519 -0.127 0.000 1.230 1304 W CA -0.176 57.121 57.345 -0.079 0.000 1.253 1304 W CB 1.437 30.865 29.460 -0.055 0.000 1.129 1304 W HN 0.380 nan 8.180 nan 0.000 0.590 1305 V N 3.058 122.949 119.914 -0.038 0.000 3.077 1305 V HA 0.322 4.442 4.120 -0.000 0.000 0.299 1305 V C -0.617 175.359 176.094 -0.197 0.000 1.276 1305 V CA -1.290 60.893 62.300 -0.194 0.000 0.993 1305 V CB 1.946 33.510 31.823 -0.431 0.000 1.076 1305 V HN 0.303 nan 8.190 nan 0.000 0.434 1306 L N 2.779 123.911 121.223 -0.151 0.000 2.289 1306 L HA 0.589 4.929 4.340 -0.000 0.000 0.285 1306 L C 0.074 176.894 176.870 -0.083 0.000 1.049 1306 L CA -0.287 54.501 54.840 -0.087 0.000 0.804 1306 L CB 1.292 43.327 42.059 -0.041 0.000 1.195 1306 L HN 0.635 nan 8.230 nan 0.000 0.428 1307 E N 1.427 121.606 120.200 -0.035 0.000 2.166 1307 E HA 0.297 4.647 4.350 -0.000 0.000 0.275 1307 E C -0.511 176.102 176.600 0.021 0.000 0.941 1307 E CA -0.282 56.121 56.400 0.006 0.000 0.784 1307 E CB 2.526 32.247 29.700 0.035 0.000 1.115 1307 E HN 0.532 nan 8.360 nan 0.000 0.399 1308 T N 0.693 115.261 114.554 0.024 0.000 2.973 1308 T HA 0.141 4.491 4.350 -0.000 0.000 0.308 1308 T C -0.092 174.624 174.700 0.026 0.000 1.177 1308 T CA -0.126 61.989 62.100 0.025 0.000 0.938 1308 T CB 0.535 69.414 68.868 0.018 0.000 1.791 1308 T HN 0.491 nan 8.240 nan 0.000 0.581 1309 D N -0.924 119.488 120.400 0.021 0.000 3.048 1309 D HA 0.247 4.887 4.640 -0.000 0.000 0.290 1309 D C -0.196 176.112 176.300 0.013 0.000 1.667 1309 D CA 0.053 54.064 54.000 0.018 0.000 0.835 1309 D CB 0.087 40.898 40.800 0.018 0.000 1.438 1309 D HN 0.747 nan 8.370 nan 0.000 0.463 1310 G N -0.473 108.331 108.800 0.007 0.000 2.600 1310 G HA2 0.537 4.497 3.960 -0.000 0.000 0.293 1310 G HA3 0.537 4.497 3.960 -0.000 0.000 0.293 1310 G C -1.760 173.135 174.900 -0.010 0.000 1.408 1310 G CA -0.347 44.752 45.100 -0.002 0.000 0.782 1310 G HN -0.017 nan 8.290 nan 0.000 0.482 1311 V N 1.374 121.277 119.914 -0.019 0.000 2.655 1311 V HA 0.596 4.716 4.120 -0.000 0.000 0.301 1311 V C -1.076 175.001 176.094 -0.028 0.000 1.082 1311 V CA -0.938 61.349 62.300 -0.023 0.000 0.899 1311 V CB 1.909 33.716 31.823 -0.027 0.000 1.014 1311 V HN 0.780 nan 8.190 nan 0.000 0.429 1312 N N 4.349 123.035 118.700 -0.024 0.000 2.685 1312 N HA 0.181 4.921 4.740 -0.000 0.000 0.252 1312 N C 0.074 175.577 175.510 -0.012 0.000 1.261 1312 N CA -0.363 52.672 53.050 -0.025 0.000 0.768 1312 N CB 1.707 40.173 38.487 -0.035 0.000 1.304 1312 N HN 0.544 nan 8.380 nan 0.000 0.536 1313 L N 3.175 124.393 121.223 -0.008 0.000 1.925 1313 L HA -0.053 4.287 4.340 -0.000 0.000 0.215 1313 L C 2.262 179.139 176.870 0.012 0.000 1.082 1313 L CA 2.429 57.273 54.840 0.006 0.000 0.764 1313 L CB -1.167 40.897 42.059 0.008 0.000 0.887 1313 L HN 0.644 nan 8.230 nan 0.000 0.432 1314 S N -1.384 114.322 115.700 0.010 0.000 2.523 1314 S HA -0.221 4.249 4.470 -0.000 0.000 0.264 1314 S C 1.240 175.847 174.600 0.011 0.000 0.978 1314 S CA 1.734 59.941 58.200 0.012 0.000 0.963 1314 S CB -0.756 62.449 63.200 0.007 0.000 0.737 1314 S HN 0.755 nan 8.310 nan 0.000 0.528 1315 E N -0.388 119.817 120.200 0.008 0.000 2.441 1315 E HA 0.119 4.469 4.350 -0.000 0.000 0.207 1315 E C 1.218 177.825 176.600 0.013 0.000 0.803 1315 E CA 0.543 56.947 56.400 0.007 0.000 1.240 1315 E CB 0.309 30.006 29.700 -0.004 0.000 1.233 1315 E HN 0.432 nan 8.360 nan 0.000 0.590 1316 V N 1.881 121.804 119.914 0.015 0.000 3.444 1316 V HA -0.058 4.062 4.120 -0.000 0.000 0.271 1316 V C 1.939 178.054 176.094 0.036 0.000 1.188 1316 V CA 1.056 63.369 62.300 0.022 0.000 1.168 1316 V CB -0.461 31.376 31.823 0.022 0.000 0.810 1316 V HN 0.247 nan 8.190 nan 0.000 0.500 1317 M N 0.962 120.584 119.600 0.036 0.000 2.545 1317 M HA 0.020 4.500 4.480 -0.000 0.000 0.264 1317 M C 1.610 177.934 176.300 0.040 0.000 1.155 1317 M CA 1.136 56.464 55.300 0.047 0.000 1.162 1317 M CB 0.404 33.031 32.600 0.046 0.000 1.330 1317 M HN 0.466 nan 8.290 nan 0.000 0.479 1318 T N -0.005 114.567 114.554 0.030 0.000 3.591 1318 T HA 0.454 4.803 4.350 -0.000 0.000 0.232 1318 T C -0.449 174.265 174.700 0.024 0.000 1.116 1318 T CA -0.500 61.615 62.100 0.025 0.000 1.063 1318 T CB -0.849 68.030 68.868 0.018 0.000 1.227 1318 T HN 0.039 nan 8.240 nan 0.000 0.685 1319 V N 2.709 122.641 119.914 0.030 0.000 2.876 1319 V HA 0.584 4.704 4.120 -0.000 0.000 0.312 1319 V C -2.242 173.872 176.094 0.032 0.000 1.085 1319 V CA -2.216 60.101 62.300 0.027 0.000 0.945 1319 V CB 2.400 34.239 31.823 0.027 0.000 1.017 1319 V HN 0.477 nan 8.190 nan 0.000 0.428 1320 P HA 0.353 nan 4.420 nan 0.000 0.281 1320 P C 0.563 177.884 177.300 0.036 0.000 1.252 1320 P CA 0.678 63.796 63.100 0.030 0.000 0.778 1320 P CB 1.286 32.996 31.700 0.018 0.000 0.895 1321 G N 2.352 111.187 108.800 0.058 0.000 2.179 1321 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.220 1321 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.220 1321 G C -0.129 174.827 174.900 0.094 0.000 0.990 1321 G CA 0.128 45.274 45.100 0.076 0.000 0.646 1321 G HN 0.705 nan 8.290 nan 0.000 0.517 1322 I N -2.573 118.051 120.570 0.089 0.000 3.067 1322 I HA 0.839 5.009 4.170 -0.000 0.000 0.312 1322 I C -0.747 175.438 176.117 0.114 0.000 1.073 1322 I CA -2.056 59.309 61.300 0.109 0.000 1.016 1322 I CB 1.772 39.830 38.000 0.096 0.000 1.227 1322 I HN -0.105 nan 8.210 nan 0.000 0.456 1323 D N 3.776 124.264 120.400 0.147 0.000 2.359 1323 D HA 0.342 4.982 4.640 -0.000 0.000 0.230 1323 D C -1.975 174.397 176.300 0.119 0.000 1.118 1323 D CA -1.971 52.102 54.000 0.121 0.000 0.844 1323 D CB 1.603 42.480 40.800 0.129 0.000 1.059 1323 D HN 0.457 nan 8.370 nan 0.000 0.493 1324 P HA 0.087 nan 4.420 nan 0.000 0.255 1324 P C 0.488 177.830 177.300 0.069 0.000 1.357 1324 P CA 0.078 63.226 63.100 0.080 0.000 0.839 1324 P CB 0.545 32.281 31.700 0.060 0.000 1.356 1325 T N -0.932 113.658 114.554 0.060 0.000 2.978 1325 T HA 0.193 4.543 4.350 -0.000 0.000 0.248 1325 T C 1.590 176.305 174.700 0.026 0.000 1.018 1325 T CA 0.286 62.406 62.100 0.033 0.000 1.026 1325 T CB 0.222 69.095 68.868 0.007 0.000 1.032 1325 T HN 0.151 nan 8.240 nan 0.000 0.485 1326 R N 0.251 120.772 120.500 0.034 0.000 2.397 1326 R HA 0.433 4.773 4.340 -0.000 0.000 0.241 1326 R C 0.487 176.897 176.300 0.183 0.000 0.914 1326 R CA -0.209 55.873 56.100 -0.030 0.000 1.071 1326 R CB 0.378 30.501 30.300 -0.295 0.000 1.116 1326 R HN 0.344 nan 8.270 nan 0.000 0.524 1327 I N 1.013 121.735 120.570 0.252 0.000 2.892 1327 I HA -0.074 4.096 4.170 -0.000 0.000 0.287 1327 I C -0.869 175.472 176.117 0.373 0.000 1.205 1327 I CA 0.347 61.841 61.300 0.324 0.000 1.409 1327 I CB 0.413 38.538 38.000 0.207 0.000 1.367 1327 I HN 0.014 nan 8.210 nan 0.000 0.597 1328 Y N 4.790 125.214 120.300 0.206 0.000 2.474 1328 Y HA 0.345 4.895 4.550 -0.000 0.000 0.326 1328 Y C -1.061 174.928 175.900 0.148 0.000 1.160 1328 Y CA -0.675 57.529 58.100 0.174 0.000 1.056 1328 Y CB 1.523 40.107 38.460 0.206 0.000 1.330 1328 Y HN 0.538 nan 8.280 nan 0.000 0.447 1329 T N 4.047 118.244 114.554 -0.595 0.000 2.932 1329 T HA 0.205 4.554 4.350 -0.000 0.000 0.289 1329 T C 0.520 174.744 174.700 -0.792 0.000 1.039 1329 T CA -0.544 61.270 62.100 -0.477 0.000 1.024 1329 T CB 0.994 69.740 68.868 -0.204 0.000 1.090 1329 T HN 0.712 nan 8.240 nan 0.000 0.496 1330 N N -0.004 118.483 118.700 -0.356 0.000 2.398 1330 N HA 0.018 4.758 4.740 -0.000 0.000 0.188 1330 N C 0.405 175.929 175.510 0.022 0.000 1.122 1330 N CA -0.102 52.844 53.050 -0.174 0.000 0.866 1330 N CB 0.339 38.825 38.487 -0.002 0.000 0.970 1330 N HN 0.288 nan 8.380 nan 0.000 0.462 1331 S N 0.528 116.220 115.700 -0.012 0.000 2.409 1331 S HA 0.200 4.670 4.470 -0.000 0.000 0.308 1331 S C 0.594 175.244 174.600 0.083 0.000 1.080 1331 S CA -1.025 57.212 58.200 0.061 0.000 1.081 1331 S CB -0.796 62.382 63.200 -0.036 0.000 1.009 1331 S HN 0.350 nan 8.310 nan 0.000 0.502 1332 F N 3.882 123.835 119.950 0.005 0.000 2.451 1332 F HA 0.103 4.630 4.527 -0.000 0.000 0.299 1332 F C 1.248 177.071 175.800 0.039 0.000 1.101 1332 F CA 0.307 58.334 58.000 0.044 0.000 1.436 1332 F CB -0.591 38.459 39.000 0.082 0.000 1.074 1332 F HN 0.487 nan 8.300 nan 0.000 0.553 1333 I N 0.983 121.257 120.570 -0.493 0.000 2.315 1333 I HA -0.206 3.964 4.170 -0.000 0.000 0.248 1333 I C 1.961 177.998 176.117 -0.134 0.000 1.117 1333 I CA 1.191 62.275 61.300 -0.360 0.000 1.404 1333 I CB -0.564 37.207 38.000 -0.382 0.000 1.071 1333 I HN 0.147 nan 8.210 nan 0.000 0.419 1334 D N 1.216 121.560 120.400 -0.094 0.000 2.106 1334 D HA -0.068 4.572 4.640 -0.000 0.000 0.203 1334 D C 2.271 178.575 176.300 0.007 0.000 0.977 1334 D CA 1.096 55.072 54.000 -0.039 0.000 0.844 1334 D CB -0.070 40.706 40.800 -0.040 0.000 1.002 1334 D HN 0.134 nan 8.370 nan 0.000 0.461 1335 I N 1.586 122.177 120.570 0.034 0.000 2.576 1335 I HA -0.243 3.927 4.170 -0.000 0.000 0.263 1335 I C 2.125 178.299 176.117 0.096 0.000 1.183 1335 I CA 0.985 62.338 61.300 0.088 0.000 1.432 1335 I CB -0.755 37.338 38.000 0.155 0.000 1.100 1335 I HN 0.155 nan 8.210 nan 0.000 0.452 1336 M N 0.336 119.979 119.600 0.073 0.000 2.429 1336 M HA -0.058 4.422 4.480 -0.000 0.000 0.265 1336 M C 1.820 178.145 176.300 0.042 0.000 1.120 1336 M CA 1.283 56.625 55.300 0.070 0.000 1.173 1336 M CB -0.063 32.577 32.600 0.067 0.000 1.343 1336 M HN 0.153 nan 8.290 nan 0.000 0.464 1337 E N -0.176 120.036 120.200 0.019 0.000 2.347 1337 E HA -0.088 4.262 4.350 -0.000 0.000 0.196 1337 E C 1.797 178.408 176.600 0.018 0.000 1.008 1337 E CA 0.844 57.251 56.400 0.012 0.000 0.852 1337 E CB 0.302 29.999 29.700 -0.005 0.000 0.783 1337 E HN 0.392 nan 8.360 nan 0.000 0.505 1338 V N 0.415 120.345 119.914 0.027 0.000 2.695 1338 V HA -0.073 4.047 4.120 -0.000 0.000 0.230 1338 V C 2.019 178.137 176.094 0.040 0.000 1.110 1338 V CA 0.364 62.682 62.300 0.030 0.000 1.159 1338 V CB -0.441 31.401 31.823 0.032 0.000 0.875 1338 V HN 0.142 nan 8.190 nan 0.000 0.502 1339 L N 1.029 122.285 121.223 0.054 0.000 2.450 1339 L HA 0.242 4.582 4.340 -0.000 0.000 0.224 1339 L C 1.063 177.966 176.870 0.055 0.000 1.149 1339 L CA 1.052 55.928 54.840 0.060 0.000 0.816 1339 L CB -0.965 41.144 42.059 0.083 0.000 0.932 1339 L HN 0.683 nan 8.230 nan 0.000 0.449 1340 G N -0.483 108.349 108.800 0.054 0.000 2.895 1340 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.686 1340 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.686 1340 G C 0.409 175.347 174.900 0.063 0.000 1.108 1340 G CA -0.239 44.892 45.100 0.051 0.000 0.761 1340 G HN 0.056 nan 8.290 nan 0.000 0.611 1341 I N 0.515 121.121 120.570 0.061 0.000 2.178 1341 I HA -0.312 3.858 4.170 -0.000 0.000 0.243 1341 I C 2.635 178.800 176.117 0.079 0.000 1.019 1341 I CA 2.562 63.905 61.300 0.072 0.000 1.294 1341 I CB 0.054 38.092 38.000 0.064 0.000 0.996 1341 I HN 0.788 nan 8.210 nan 0.000 0.415 1342 E N 0.544 120.783 120.200 0.065 0.000 2.070 1342 E HA -0.264 4.086 4.350 -0.000 0.000 0.197 1342 E C 2.121 178.764 176.600 0.071 0.000 1.004 1342 E CA 1.657 58.093 56.400 0.060 0.000 0.805 1342 E CB -0.388 29.338 29.700 0.044 0.000 0.744 1342 E HN 0.679 nan 8.360 nan 0.000 0.451 1343 A N 0.592 123.459 122.820 0.077 0.000 2.015 1343 A HA -0.043 4.277 4.320 -0.000 0.000 0.219 1343 A C 2.389 180.056 177.584 0.139 0.000 1.163 1343 A CA 1.693 53.788 52.037 0.097 0.000 0.646 1343 A CB -0.788 18.272 19.000 0.099 0.000 0.806 1343 A HN 0.332 nan 8.150 nan 0.000 0.448 1344 G N -0.486 108.397 108.800 0.138 0.000 2.433 1344 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.216 1344 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.216 1344 G C 1.746 176.760 174.900 0.190 0.000 1.186 1344 G CA 0.901 46.111 45.100 0.185 0.000 0.779 1344 G HN 0.498 nan 8.290 nan 0.000 0.543 1345 R N 0.502 121.086 120.500 0.140 0.000 2.094 1345 R HA -0.126 4.214 4.340 -0.000 0.000 0.239 1345 R C 2.970 179.347 176.300 0.128 0.000 1.137 1345 R CA 1.628 57.799 56.100 0.119 0.000 0.943 1345 R CB -0.535 29.813 30.300 0.081 0.000 0.850 1345 R HN 0.309 nan 8.270 nan 0.000 0.433 1346 A N 0.729 123.615 122.820 0.111 0.000 1.884 1346 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 1346 A C 2.363 180.053 177.584 0.177 0.000 1.197 1346 A CA 2.278 54.379 52.037 0.107 0.000 0.637 1346 A CB -1.015 18.029 19.000 0.073 0.000 0.827 1346 A HN 0.568 nan 8.150 nan 0.000 0.450 1347 A N -0.509 122.442 122.820 0.218 0.000 1.849 1347 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 1347 A C 2.160 179.866 177.584 0.203 0.000 1.202 1347 A CA 2.035 54.261 52.037 0.316 0.000 0.629 1347 A CB -1.003 18.228 19.000 0.385 0.000 0.834 1347 A HN 0.938 nan 8.150 nan 0.000 0.447 1348 L N -1.312 119.972 121.223 0.102 0.000 1.976 1348 L HA -0.269 4.071 4.340 -0.000 0.000 0.223 1348 L C 2.332 179.162 176.870 -0.067 0.000 1.081 1348 L CA 2.962 57.699 54.840 -0.172 0.000 0.784 1348 L CB -1.296 40.707 42.059 -0.093 0.000 0.896 1348 L HN 0.565 nan 8.230 nan 0.000 0.438 1349 Y N 0.378 120.645 120.300 -0.054 0.000 2.030 1349 Y HA -0.381 4.168 4.550 -0.000 0.000 0.274 1349 Y C 2.806 178.727 175.900 0.035 0.000 1.153 1349 Y CA 2.731 60.813 58.100 -0.030 0.000 1.115 1349 Y CB -0.415 38.021 38.460 -0.040 0.000 0.969 1349 Y HN 0.277 nan 8.280 nan 0.000 0.488 1350 K N -0.177 120.419 120.400 0.326 0.000 2.107 1350 K HA -0.339 3.981 4.320 -0.000 0.000 0.211 1350 K C 2.078 178.765 176.600 0.145 0.000 1.049 1350 K CA 2.203 58.641 56.287 0.251 0.000 0.927 1350 K CB -0.295 32.314 32.500 0.181 0.000 0.714 1350 K HN 0.348 nan 8.250 nan 0.000 0.452 1351 E N -0.115 120.137 120.200 0.086 0.000 2.204 1351 E HA -0.097 4.253 4.350 -0.000 0.000 0.194 1351 E C 1.671 178.228 176.600 -0.072 0.000 0.989 1351 E CA 0.743 57.158 56.400 0.024 0.000 0.824 1351 E CB 0.195 29.858 29.700 -0.060 0.000 0.756 1351 E HN 0.126 nan 8.360 nan 0.000 0.477 1352 V N 0.046 119.869 119.914 -0.152 0.000 2.346 1352 V HA -0.187 3.932 4.120 -0.000 0.000 0.244 1352 V C 1.977 177.963 176.094 -0.180 0.000 1.037 1352 V CA 1.729 63.917 62.300 -0.185 0.000 1.029 1352 V CB -0.702 30.980 31.823 -0.234 0.000 0.663 1352 V HN 0.394 nan 8.190 nan 0.000 0.454 1353 Y N 1.740 121.812 120.300 -0.379 0.000 2.207 1353 Y HA -0.250 4.300 4.550 -0.000 0.000 0.287 1353 Y C 2.391 178.224 175.900 -0.112 0.000 1.156 1353 Y CA 1.983 59.902 58.100 -0.301 0.000 1.182 1353 Y CB -0.434 37.804 38.460 -0.369 0.000 0.979 1353 Y HN 0.262 nan 8.280 nan 0.000 0.521 1354 N N -0.092 118.527 118.700 -0.134 0.000 2.381 1354 N HA -0.133 4.606 4.740 -0.000 0.000 0.182 1354 N C 1.762 177.167 175.510 -0.175 0.000 1.025 1354 N CA 1.367 54.318 53.050 -0.165 0.000 0.888 1354 N CB 0.025 38.529 38.487 0.029 0.000 0.965 1354 N HN 0.337 nan 8.380 nan 0.000 0.438 1355 V N 1.329 121.153 119.914 -0.151 0.000 2.591 1355 V HA -0.103 4.017 4.120 -0.000 0.000 0.249 1355 V C 2.147 178.155 176.094 -0.143 0.000 1.053 1355 V CA 0.906 63.137 62.300 -0.115 0.000 1.068 1355 V CB -0.115 31.653 31.823 -0.090 0.000 0.689 1355 V HN 0.215 nan 8.190 nan 0.000 0.462 1356 I N 0.589 121.038 120.570 -0.202 0.000 2.584 1356 I HA 0.001 4.171 4.170 -0.000 0.000 0.255 1356 I C 2.616 178.603 176.117 -0.217 0.000 1.145 1356 I CA 1.479 62.670 61.300 -0.181 0.000 1.462 1356 I CB -1.508 36.393 38.000 -0.165 0.000 1.102 1356 I HN 0.281 nan 8.210 nan 0.000 0.433 1357 A N 1.361 123.949 122.820 -0.387 0.000 1.969 1357 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 1357 A C 2.428 179.906 177.584 -0.177 0.000 1.169 1357 A CA 1.755 53.570 52.037 -0.370 0.000 0.635 1357 A CB -0.694 17.902 19.000 -0.673 0.000 0.810 1357 A HN 0.531 nan 8.150 nan 0.000 0.445 1358 S N -1.026 114.586 115.700 -0.146 0.000 2.507 1358 S HA -0.086 4.384 4.470 -0.000 0.000 0.235 1358 S C 0.873 175.439 174.600 -0.057 0.000 0.988 1358 S CA 1.238 59.391 58.200 -0.078 0.000 0.944 1358 S CB -0.179 62.985 63.200 -0.061 0.000 0.762 1358 S HN 0.524 nan 8.310 nan 0.000 0.526 1359 D N 0.397 120.759 120.400 -0.065 0.000 2.538 1359 D HA 0.276 4.916 4.640 -0.000 0.000 0.231 1359 D C 1.283 177.568 176.300 -0.025 0.000 1.229 1359 D CA 0.429 54.405 54.000 -0.040 0.000 0.828 1359 D CB 0.438 41.213 40.800 -0.043 0.000 1.035 1359 D HN 0.525 nan 8.370 nan 0.000 0.495 1360 G N 1.169 109.953 108.800 -0.026 0.000 2.238 1360 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.270 1360 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.270 1360 G C 0.620 175.536 174.900 0.027 0.000 0.977 1360 G CA 0.804 45.903 45.100 -0.001 0.000 0.639 1360 G HN 0.357 nan 8.290 nan 0.000 0.544 1361 S N -0.230 115.477 115.700 0.012 0.000 2.572 1361 S HA 0.497 4.967 4.470 -0.000 0.000 0.279 1361 S C -0.361 174.305 174.600 0.109 0.000 1.341 1361 S CA 0.013 58.235 58.200 0.037 0.000 1.043 1361 S CB 1.382 64.576 63.200 -0.011 0.000 0.887 1361 S HN 0.741 nan 8.310 nan 0.000 0.516 1362 Y N 1.721 122.029 120.300 0.013 0.000 2.425 1362 Y HA 0.643 5.193 4.550 -0.000 0.000 0.344 1362 Y C -1.310 174.645 175.900 0.091 0.000 0.969 1362 Y CA -1.253 56.881 58.100 0.057 0.000 1.052 1362 Y CB 1.091 39.590 38.460 0.066 0.000 1.215 1362 Y HN 0.396 nan 8.280 nan 0.000 0.451 1363 V N 6.188 125.759 119.914 -0.572 0.000 2.668 1363 V HA 0.245 4.365 4.120 -0.000 0.000 0.304 1363 V C -0.592 175.222 176.094 -0.466 0.000 1.071 1363 V CA -1.342 60.669 62.300 -0.480 0.000 0.894 1363 V CB 1.864 33.633 31.823 -0.090 0.000 1.008 1363 V HN 0.872 nan 8.190 nan 0.000 0.425 1364 N N 3.140 121.609 118.700 -0.385 0.000 2.438 1364 N HA 0.020 4.759 4.740 -0.000 0.000 0.267 1364 N C 1.124 176.679 175.510 0.076 0.000 1.222 1364 N CA -0.048 52.962 53.050 -0.066 0.000 0.930 1364 N CB 0.385 38.846 38.487 -0.044 0.000 1.083 1364 N HN 0.740 nan 8.380 nan 0.000 0.476 1365 Y N 5.227 125.603 120.300 0.127 0.000 2.120 1365 Y HA -0.528 4.022 4.550 -0.000 0.000 0.200 1365 Y C 2.199 178.143 175.900 0.073 0.000 1.255 1365 Y CA 3.137 61.340 58.100 0.171 0.000 0.923 1365 Y CB -0.500 38.009 38.460 0.082 0.000 0.722 1365 Y HN 0.739 nan 8.280 nan 0.000 0.561 1366 R N -1.336 119.203 120.500 0.065 0.000 2.227 1366 R HA -0.327 4.013 4.340 -0.000 0.000 0.259 1366 R C 1.842 178.084 176.300 -0.097 0.000 1.139 1366 R CA 2.161 58.186 56.100 -0.125 0.000 0.969 1366 R CB -1.546 28.564 30.300 -0.316 0.000 0.903 1366 R HN 0.591 nan 8.270 nan 0.000 0.452 1367 H N 0.964 120.076 119.070 0.069 0.000 2.256 1367 H HA -0.006 4.550 4.556 -0.000 0.000 0.299 1367 H C 2.451 177.780 175.328 0.001 0.000 1.071 1367 H CA 1.932 58.007 56.048 0.045 0.000 1.280 1367 H CB -0.513 29.257 29.762 0.013 0.000 1.370 1367 H HN 0.268 nan 8.280 nan 0.000 0.490 1368 M N 0.541 120.215 119.600 0.123 0.000 2.082 1368 M HA -0.151 4.329 4.480 -0.000 0.000 0.258 1368 M C 2.761 179.096 176.300 0.057 0.000 1.069 1368 M CA 1.610 56.932 55.300 0.038 0.000 1.102 1368 M CB -0.580 31.989 32.600 -0.052 0.000 1.336 1368 M HN 0.246 nan 8.290 nan 0.000 0.404 1369 A N 0.550 123.360 122.820 -0.017 0.000 1.908 1369 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 1369 A C 2.174 179.725 177.584 -0.054 0.000 1.181 1369 A CA 1.663 53.590 52.037 -0.183 0.000 0.627 1369 A CB -0.856 17.731 19.000 -0.690 0.000 0.818 1369 A HN 0.443 nan 8.150 nan 0.000 0.445 1370 L N -0.810 120.414 121.223 0.002 0.000 2.017 1370 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 1370 L C 2.323 179.198 176.870 0.010 0.000 1.073 1370 L CA 2.094 56.955 54.840 0.035 0.000 0.745 1370 L CB -0.544 41.567 42.059 0.088 0.000 0.894 1370 L HN 0.413 nan 8.230 nan 0.000 0.432 1371 L N -1.311 119.915 121.223 0.005 0.000 2.012 1371 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 1371 L C 2.425 179.293 176.870 -0.004 0.000 1.073 1371 L CA 1.926 56.754 54.840 -0.020 0.000 0.748 1371 L CB -0.964 41.073 42.059 -0.036 0.000 0.891 1371 L HN 0.109 nan 8.230 nan 0.000 0.431 1372 V N 0.368 120.291 119.914 0.015 0.000 2.231 1372 V HA -0.380 3.740 4.120 -0.000 0.000 0.248 1372 V C 2.407 178.523 176.094 0.036 0.000 1.054 1372 V CA 2.410 64.732 62.300 0.037 0.000 1.015 1372 V CB -0.652 31.226 31.823 0.093 0.000 0.638 1372 V HN 0.590 nan 8.190 nan 0.000 0.444 1373 D N -0.447 119.966 120.400 0.021 0.000 2.106 1373 D HA -0.160 4.480 4.640 -0.000 0.000 0.191 1373 D C 2.142 178.452 176.300 0.016 0.000 0.997 1373 D CA 1.843 55.853 54.000 0.017 0.000 0.834 1373 D CB -0.455 40.347 40.800 0.004 0.000 0.956 1373 D HN 0.379 nan 8.370 nan 0.000 0.448 1374 V N 1.268 121.184 119.914 0.003 0.000 2.324 1374 V HA -0.274 3.846 4.120 -0.000 0.000 0.250 1374 V C 2.524 178.632 176.094 0.023 0.000 1.060 1374 V CA 1.585 63.883 62.300 -0.003 0.000 1.042 1374 V CB -0.468 31.334 31.823 -0.035 0.000 0.650 1374 V HN 0.225 nan 8.190 nan 0.000 0.450 1375 M N -1.032 118.590 119.600 0.037 0.000 2.394 1375 M HA -0.100 4.380 4.480 -0.000 0.000 0.264 1375 M C 2.194 178.547 176.300 0.088 0.000 1.073 1375 M CA 1.683 57.028 55.300 0.073 0.000 1.111 1375 M CB -0.360 32.292 32.600 0.085 0.000 1.401 1375 M HN 0.347 nan 8.290 nan 0.000 0.448 1376 T N -0.097 114.502 114.554 0.074 0.000 3.040 1376 T HA -0.021 4.329 4.350 -0.000 0.000 0.252 1376 T C 1.655 176.393 174.700 0.063 0.000 1.064 1376 T CA 1.295 63.443 62.100 0.080 0.000 1.110 1376 T CB -0.146 68.771 68.868 0.082 0.000 0.921 1376 T HN 0.549 nan 8.240 nan 0.000 0.480 1377 T N 1.339 115.920 114.554 0.046 0.000 2.327 1377 T HA -0.283 4.067 4.350 -0.000 0.000 0.228 1377 T C 1.746 176.472 174.700 0.043 0.000 1.459 1377 T CA 1.611 63.732 62.100 0.035 0.000 1.258 1377 T CB -1.083 67.793 68.868 0.013 0.000 0.865 1377 T HN 0.417 nan 8.240 nan 0.000 0.390 1378 Q N 1.015 120.841 119.800 0.042 0.000 2.195 1378 Q HA -0.272 4.067 4.340 -0.000 0.000 0.220 1378 Q C 2.277 178.306 176.000 0.048 0.000 1.070 1378 Q CA 2.367 58.197 55.803 0.045 0.000 0.945 1378 Q CB -0.874 27.895 28.738 0.053 0.000 1.085 1378 Q HN 0.893 nan 8.270 nan 0.000 0.452 1379 G N -3.247 105.585 108.800 0.053 0.000 2.293 1379 G HA2 0.392 4.351 3.960 -0.000 0.000 0.180 1379 G HA3 0.392 4.351 3.960 -0.000 0.000 0.180 1379 G C 0.269 175.202 174.900 0.055 0.000 1.517 1379 G CA 0.622 45.752 45.100 0.050 0.000 0.645 1379 G HN 0.642 nan 8.290 nan 0.000 1.119 1380 G N -0.076 108.763 108.800 0.065 0.000 3.019 1380 G HA2 0.326 4.286 3.960 -0.000 0.000 0.125 1380 G HA3 0.326 4.286 3.960 -0.000 0.000 0.125 1380 G C -1.355 173.602 174.900 0.095 0.000 1.193 1380 G CA -0.571 44.574 45.100 0.074 0.000 1.432 1380 G HN 0.331 nan 8.290 nan 0.000 0.687 1381 L N 2.449 123.728 121.223 0.093 0.000 2.255 1381 L HA 0.543 4.883 4.340 -0.000 0.000 0.289 1381 L C -0.517 176.420 176.870 0.112 0.000 1.046 1381 L CA -0.261 54.654 54.840 0.125 0.000 0.816 1381 L CB 1.529 43.655 42.059 0.112 0.000 1.197 1381 L HN 0.275 nan 8.230 nan 0.000 0.427 1382 T N 1.099 115.731 114.554 0.129 0.000 2.786 1382 T HA 0.275 4.625 4.350 -0.000 0.000 0.283 1382 T C 0.185 174.984 174.700 0.164 0.000 0.992 1382 T CA -0.629 61.550 62.100 0.132 0.000 0.954 1382 T CB 1.486 70.429 68.868 0.126 0.000 0.934 1382 T HN 0.643 nan 8.240 nan 0.000 0.440 1383 S N 1.978 117.785 115.700 0.178 0.000 2.576 1383 S HA 0.237 4.707 4.470 -0.000 0.000 0.276 1383 S C 0.547 175.309 174.600 0.270 0.000 1.339 1383 S CA -0.760 57.564 58.200 0.206 0.000 1.039 1383 S CB 0.572 63.899 63.200 0.211 0.000 0.902 1383 S HN 0.428 nan 8.310 nan 0.000 0.516 1384 V N 3.436 123.504 119.914 0.256 0.000 2.346 1384 V HA 0.286 4.406 4.120 -0.000 0.000 0.320 1384 V C 0.087 176.427 176.094 0.410 0.000 1.663 1384 V CA 0.047 62.553 62.300 0.343 0.000 1.667 1384 V CB -1.577 30.299 31.823 0.088 0.000 1.465 1384 V HN 1.044 nan 8.190 nan 0.000 0.524 1385 T N -0.371 114.406 114.554 0.372 0.000 2.821 1385 T HA 0.260 4.609 4.350 -0.000 0.000 0.306 1385 T C 0.912 175.577 174.700 -0.058 0.000 1.313 1385 T CA -0.816 61.395 62.100 0.185 0.000 1.012 1385 T CB 2.046 70.959 68.868 0.076 0.000 1.298 1385 T HN 0.306 nan 8.240 nan 0.000 0.502 1386 R N 0.227 120.626 120.500 -0.168 0.000 2.294 1386 R HA -0.236 4.103 4.340 -0.000 0.000 0.250 1386 R C 1.222 177.386 176.300 -0.225 0.000 1.181 1386 R CA 1.877 57.777 56.100 -0.334 0.000 1.016 1386 R CB -0.303 29.742 30.300 -0.426 0.000 0.869 1386 R HN 0.606 nan 8.270 nan 0.000 0.476 1387 H N -1.433 117.605 119.070 -0.054 0.000 2.372 1387 H HA 0.117 4.672 4.556 -0.000 0.000 0.301 1387 H C 1.631 176.944 175.328 -0.025 0.000 1.065 1387 H CA 1.407 57.438 56.048 -0.028 0.000 1.364 1387 H CB -0.127 29.643 29.762 0.013 0.000 1.406 1387 H HN 0.437 nan 8.280 nan 0.000 0.521 1388 G N 0.230 109.094 108.800 0.107 0.000 2.583 1388 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.214 1388 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.214 1388 G C 1.252 176.180 174.900 0.046 0.000 2.072 1388 G CA 0.303 45.459 45.100 0.094 0.000 0.745 1388 G HN 0.293 nan 8.290 nan 0.000 0.762 1389 F N 2.247 122.251 119.950 0.090 0.000 2.158 1389 F HA -0.239 4.288 4.527 -0.000 0.000 0.299 1389 F C 1.231 177.080 175.800 0.082 0.000 1.060 1389 F CA 1.835 59.875 58.000 0.066 0.000 1.284 1389 F CB -0.795 38.225 39.000 0.034 0.000 1.035 1389 F HN 0.224 nan 8.300 nan 0.000 0.496 1390 N N 0.016 118.249 118.700 -0.778 0.000 2.389 1390 N HA 0.102 4.842 4.740 -0.000 0.000 0.237 1390 N C 1.293 176.709 175.510 -0.157 0.000 1.148 1390 N CA 0.190 52.938 53.050 -0.504 0.000 0.854 1390 N CB -0.160 37.964 38.487 -0.605 0.000 1.115 1390 N HN 0.705 nan 8.380 nan 0.000 0.492 1391 R N -1.797 118.669 120.500 -0.058 0.000 2.470 1391 R HA 0.230 4.570 4.340 -0.000 0.000 0.210 1391 R C 0.448 176.763 176.300 0.025 0.000 0.873 1391 R CA -0.008 56.083 56.100 -0.014 0.000 1.015 1391 R CB -0.421 29.878 30.300 -0.002 0.000 1.348 1391 R HN 0.140 nan 8.270 nan 0.000 0.650 1392 S N 1.807 117.539 115.700 0.054 0.000 2.587 1392 S HA -0.093 4.377 4.470 -0.000 0.000 0.257 1392 S C 0.532 175.166 174.600 0.055 0.000 1.397 1392 S CA 0.200 58.438 58.200 0.064 0.000 0.983 1392 S CB 0.077 63.331 63.200 0.090 0.000 0.885 1392 S HN 0.483 nan 8.310 nan 0.000 0.556 1393 N N 0.338 119.068 118.700 0.050 0.000 2.626 1393 N HA -0.026 4.714 4.740 -0.000 0.000 0.193 1393 N C 0.179 175.717 175.510 0.047 0.000 1.213 1393 N CA 0.519 53.595 53.050 0.042 0.000 0.914 1393 N CB -1.057 37.451 38.487 0.035 0.000 0.994 1393 N HN 0.592 nan 8.380 nan 0.000 0.447 1394 T N 0.471 115.061 114.554 0.060 0.000 2.791 1394 T HA 0.198 4.548 4.350 -0.000 0.000 0.323 1394 T C 1.440 176.175 174.700 0.059 0.000 1.082 1394 T CA 0.033 62.170 62.100 0.062 0.000 1.084 1394 T CB 0.505 69.426 68.868 0.087 0.000 0.992 1394 T HN 0.262 nan 8.240 nan 0.000 0.547 1395 G N -0.372 108.461 108.800 0.053 0.000 2.597 1395 G HA2 0.331 4.291 3.960 -0.000 0.000 0.283 1395 G HA3 0.331 4.291 3.960 -0.000 0.000 0.283 1395 G C 1.079 176.030 174.900 0.086 0.000 1.319 1395 G CA -0.105 45.030 45.100 0.058 0.000 1.054 1395 G HN 0.867 nan 8.290 nan 0.000 0.583 1396 A N -1.127 121.771 122.820 0.130 0.000 1.884 1396 A HA 0.231 4.551 4.320 -0.000 0.000 0.212 1396 A C 2.392 180.066 177.584 0.151 0.000 1.265 1396 A CA 0.691 52.831 52.037 0.171 0.000 0.626 1396 A CB -0.530 18.684 19.000 0.357 0.000 0.943 1396 A HN 0.492 nan 8.150 nan 0.000 0.466 1397 L N -0.325 121.017 121.223 0.198 0.000 2.357 1397 L HA -0.244 4.096 4.340 -0.000 0.000 0.220 1397 L C 2.603 179.524 176.870 0.085 0.000 1.123 1397 L CA 1.543 56.466 54.840 0.138 0.000 0.782 1397 L CB -0.333 41.799 42.059 0.121 0.000 0.910 1397 L HN 0.625 nan 8.230 nan 0.000 0.442 1398 M N -0.467 119.183 119.600 0.083 0.000 2.224 1398 M HA -0.114 4.366 4.480 -0.000 0.000 0.253 1398 M C 2.299 178.666 176.300 0.112 0.000 1.115 1398 M CA 1.310 56.659 55.300 0.082 0.000 1.168 1398 M CB -0.041 32.604 32.600 0.075 0.000 1.288 1398 M HN -0.057 nan 8.290 nan 0.000 0.446 1399 R N -0.234 120.337 120.500 0.119 0.000 2.316 1399 R HA -0.204 4.136 4.340 -0.000 0.000 0.232 1399 R C 2.294 178.654 176.300 0.100 0.000 1.137 1399 R CA 1.203 57.384 56.100 0.134 0.000 1.012 1399 R CB -0.976 29.369 30.300 0.076 0.000 0.859 1399 R HN 0.584 nan 8.270 nan 0.000 0.474 1400 C N 0.867 120.209 119.300 0.070 0.000 2.448 1400 C HA 0.030 4.489 4.460 -0.000 0.000 0.280 1400 C C 1.726 176.741 174.990 0.043 0.000 1.398 1400 C CA 0.781 59.813 59.018 0.024 0.000 1.774 1400 C CB -0.611 27.138 27.740 0.015 0.000 1.888 1400 C HN 0.442 nan 8.230 nan 0.000 0.519 1401 S N -0.706 115.054 115.700 0.099 0.000 2.945 1401 S HA 0.459 4.929 4.470 -0.000 0.000 0.227 1401 S C -0.479 174.269 174.600 0.247 0.000 1.353 1401 S CA -0.429 57.840 58.200 0.116 0.000 1.236 1401 S CB -0.642 62.611 63.200 0.088 0.000 1.069 1401 S HN 0.609 nan 8.310 nan 0.000 0.509 1402 F N 1.237 121.190 119.950 0.006 0.000 3.362 1402 F HA 0.236 4.763 4.527 -0.000 0.000 0.360 1402 F C 0.030 175.824 175.800 -0.009 0.000 1.163 1402 F CA -0.856 57.159 58.000 0.024 0.000 1.359 1402 F CB -0.277 38.768 39.000 0.075 0.000 1.735 1402 F HN 0.383 nan 8.300 nan 0.000 0.763 1403 E N 2.799 122.745 120.200 -0.423 0.000 3.547 1403 E HA -0.287 4.062 4.350 -0.000 0.000 0.300 1403 E C 0.269 176.661 176.600 -0.347 0.000 0.857 1403 E CA 1.438 57.536 56.400 -0.503 0.000 1.039 1403 E CB -0.738 28.416 29.700 -0.910 0.000 1.524 1403 E HN 0.875 nan 8.360 nan 0.000 0.457 1404 E N -1.577 118.475 120.200 -0.248 0.000 2.722 1404 E HA 0.023 4.373 4.350 -0.000 0.000 0.179 1404 E C 0.739 177.246 176.600 -0.155 0.000 0.918 1404 E CA 0.606 56.894 56.400 -0.187 0.000 1.334 1404 E CB 0.478 30.067 29.700 -0.185 0.000 1.064 1404 E HN 0.197 nan 8.360 nan 0.000 0.513 1405 T N 0.639 115.108 114.554 -0.143 0.000 1.944 1405 T HA -0.356 3.994 4.350 -0.000 0.000 0.155 1405 T C 1.853 176.424 174.700 -0.213 0.000 1.860 1405 T CA 2.282 64.295 62.100 -0.144 0.000 0.978 1405 T CB -0.964 67.828 68.868 -0.127 0.000 0.826 1405 T HN 0.038 nan 8.240 nan 0.000 0.400 1406 V N 2.314 122.063 119.914 -0.275 0.000 2.231 1406 V HA -0.292 3.827 4.120 -0.000 0.000 0.250 1406 V C 2.686 178.482 176.094 -0.497 0.000 1.058 1406 V CA 2.600 64.615 62.300 -0.476 0.000 1.022 1406 V CB -1.002 30.506 31.823 -0.525 0.000 0.640 1406 V HN 0.608 nan 8.190 nan 0.000 0.445 1407 E N -0.240 119.793 120.200 -0.278 0.000 2.108 1407 E HA -0.266 4.084 4.350 -0.000 0.000 0.203 1407 E C 2.178 178.734 176.600 -0.074 0.000 1.022 1407 E CA 1.788 58.126 56.400 -0.103 0.000 0.823 1407 E CB -0.286 29.379 29.700 -0.059 0.000 0.744 1407 E HN 0.481 nan 8.360 nan 0.000 0.456 1408 I N 0.864 121.359 120.570 -0.125 0.000 2.226 1408 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 1408 I C 2.457 178.492 176.117 -0.137 0.000 1.100 1408 I CA 1.230 62.468 61.300 -0.104 0.000 1.374 1408 I CB -0.843 37.099 38.000 -0.098 0.000 1.057 1408 I HN 0.186 nan 8.210 nan 0.000 0.413 1409 L N -0.595 120.488 121.223 -0.233 0.000 2.093 1409 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 1409 L C 2.644 179.401 176.870 -0.188 0.000 1.085 1409 L CA 1.277 55.906 54.840 -0.351 0.000 0.755 1409 L CB -0.531 41.272 42.059 -0.426 0.000 0.904 1409 L HN 0.099 nan 8.230 nan 0.000 0.435 1410 F N 0.800 120.659 119.950 -0.152 0.000 2.025 1410 F HA -0.281 4.246 4.527 -0.000 0.000 0.297 1410 F C 2.296 178.163 175.800 0.112 0.000 1.132 1410 F CA 1.044 59.031 58.000 -0.022 0.000 1.191 1410 F CB -0.179 38.802 39.000 -0.033 0.000 0.963 1410 F HN 0.116 nan 8.300 nan 0.000 0.481 1411 E N 0.189 120.526 120.200 0.229 0.000 2.533 1411 E HA -0.085 4.264 4.350 -0.000 0.000 0.201 1411 E C 1.469 178.032 176.600 -0.060 0.000 1.097 1411 E CA 0.266 56.674 56.400 0.013 0.000 0.887 1411 E CB -0.076 29.594 29.700 -0.050 0.000 0.855 1411 E HN 0.390 nan 8.360 nan 0.000 0.540 1412 A N 0.490 123.277 122.820 -0.055 0.000 1.973 1412 A HA 0.159 4.479 4.320 -0.000 0.000 0.210 1412 A C 2.258 179.825 177.584 -0.029 0.000 1.200 1412 A CA 0.750 52.733 52.037 -0.089 0.000 0.707 1412 A CB -0.184 18.651 19.000 -0.275 0.000 0.862 1412 A HN 0.326 nan 8.150 nan 0.000 0.461 1413 G N -0.568 108.204 108.800 -0.047 0.000 2.494 1413 G HA2 0.219 4.179 3.960 -0.000 0.000 0.216 1413 G HA3 0.219 4.179 3.960 -0.000 0.000 0.216 1413 G C 1.602 176.538 174.900 0.060 0.000 1.140 1413 G CA 1.098 46.230 45.100 0.053 0.000 0.801 1413 G HN 0.647 nan 8.290 nan 0.000 0.536 1414 A N 1.290 124.123 122.820 0.022 0.000 1.883 1414 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 1414 A C 2.272 179.649 177.584 -0.345 0.000 1.186 1414 A CA 2.262 54.173 52.037 -0.210 0.000 0.624 1414 A CB -0.503 18.168 19.000 -0.548 0.000 0.822 1414 A HN 0.823 nan 8.150 nan 0.000 0.444 1415 S N -1.755 113.752 115.700 -0.322 0.000 2.526 1415 S HA 0.554 5.024 4.470 -0.000 0.000 0.245 1415 S C 0.534 175.079 174.600 -0.092 0.000 1.103 1415 S CA 0.508 58.502 58.200 -0.343 0.000 1.095 1415 S CB -0.388 62.556 63.200 -0.427 0.000 0.826 1415 S HN 1.863 nan 8.310 nan 0.000 0.468 1416 A N 1.048 123.876 122.820 0.013 0.000 2.151 1416 A HA -0.211 4.108 4.320 -0.000 0.000 0.271 1416 A C 0.538 178.196 177.584 0.123 0.000 1.348 1416 A CA 1.028 53.138 52.037 0.122 0.000 0.763 1416 A CB -1.830 17.323 19.000 0.255 0.000 1.117 1416 A HN 0.784 nan 8.150 nan 0.000 0.342 1417 E N -1.556 118.725 120.200 0.135 0.000 2.451 1417 E HA 0.411 4.761 4.350 -0.000 0.000 0.256 1417 E C -0.131 176.506 176.600 0.062 0.000 1.294 1417 E CA -0.079 56.393 56.400 0.121 0.000 1.005 1417 E CB 0.329 30.147 29.700 0.196 0.000 0.990 1417 E HN 0.724 nan 8.360 nan 0.000 0.505 1418 L N 0.943 122.175 121.223 0.015 0.000 2.493 1418 L HA 0.284 4.623 4.340 -0.000 0.000 0.265 1418 L C -1.568 175.258 176.870 -0.074 0.000 0.954 1418 L CA -0.314 54.488 54.840 -0.064 0.000 0.844 1418 L CB 2.075 44.127 42.059 -0.013 0.000 1.302 1418 L HN 0.319 nan 8.230 nan 0.000 0.405 1419 D N 2.323 122.631 120.400 -0.153 0.000 2.303 1419 D HA 0.219 4.859 4.640 -0.000 0.000 0.236 1419 D C 0.057 176.308 176.300 -0.081 0.000 1.068 1419 D CA -0.116 53.820 54.000 -0.107 0.000 0.830 1419 D CB 1.922 42.633 40.800 -0.148 0.000 1.109 1419 D HN 0.650 nan 8.370 nan 0.000 0.496 1420 D N 1.160 121.535 120.400 -0.041 0.000 2.117 1420 D HA -0.100 4.540 4.640 -0.000 0.000 0.197 1420 D C 0.689 176.970 176.300 -0.032 0.000 0.987 1420 D CA 0.781 54.764 54.000 -0.028 0.000 0.829 1420 D CB 0.024 40.818 40.800 -0.010 0.000 0.961 1420 D HN 0.463 nan 8.370 nan 0.000 0.460 1421 C N -0.093 119.187 119.300 -0.032 0.000 4.520 1421 C HA -0.114 4.346 4.460 -0.000 0.000 0.312 1421 C C 1.107 176.086 174.990 -0.019 0.000 1.231 1421 C CA -0.312 58.687 59.018 -0.032 0.000 2.159 1421 C CB -2.200 25.514 27.740 -0.044 0.000 1.250 1421 C HN 0.440 nan 8.230 nan 0.000 0.718 1422 R N -0.164 120.331 120.500 -0.009 0.000 2.487 1422 R HA 0.243 4.583 4.340 -0.000 0.000 0.272 1422 R C 1.105 177.403 176.300 -0.003 0.000 0.928 1422 R CA 0.515 56.614 56.100 -0.000 0.000 1.077 1422 R CB 0.606 30.913 30.300 0.011 0.000 1.265 1422 R HN 0.555 nan 8.270 nan 0.000 0.537 1423 G N 0.714 109.511 108.800 -0.005 0.000 2.370 1423 G HA2 0.263 4.223 3.960 -0.000 0.000 0.272 1423 G HA3 0.263 4.223 3.960 -0.000 0.000 0.272 1423 G C 1.152 176.042 174.900 -0.017 0.000 1.208 1423 G CA -0.517 44.580 45.100 -0.005 0.000 0.856 1423 G HN -0.106 nan 8.290 nan 0.000 0.500 1424 V N 2.887 122.785 119.914 -0.027 0.000 2.278 1424 V HA -0.265 3.855 4.120 -0.000 0.000 0.251 1424 V C 2.965 179.040 176.094 -0.030 0.000 1.062 1424 V CA 2.585 64.862 62.300 -0.039 0.000 1.038 1424 V CB -0.938 30.854 31.823 -0.051 0.000 0.646 1424 V HN 0.703 nan 8.190 nan 0.000 0.447 1425 S N -0.422 115.266 115.700 -0.020 0.000 2.351 1425 S HA -0.236 4.234 4.470 -0.000 0.000 0.220 1425 S C 1.857 176.455 174.600 -0.005 0.000 1.035 1425 S CA 1.570 59.765 58.200 -0.009 0.000 1.031 1425 S CB -0.487 62.718 63.200 0.007 0.000 0.928 1425 S HN 0.665 nan 8.310 nan 0.000 0.433 1426 E N 1.955 122.156 120.200 0.000 0.000 2.164 1426 E HA -0.258 4.092 4.350 -0.000 0.000 0.233 1426 E C 1.847 178.440 176.600 -0.013 0.000 1.073 1426 E CA 1.502 57.900 56.400 -0.002 0.000 0.941 1426 E CB -1.034 28.660 29.700 -0.009 0.000 0.820 1426 E HN 0.503 nan 8.360 nan 0.000 0.486 1427 N N 0.553 119.240 118.700 -0.022 0.000 2.061 1427 N HA -0.141 4.598 4.740 -0.000 0.000 0.193 1427 N C 2.158 177.653 175.510 -0.025 0.000 1.030 1427 N CA 1.355 54.388 53.050 -0.027 0.000 0.856 1427 N CB -0.470 37.997 38.487 -0.034 0.000 1.023 1427 N HN 0.007 nan 8.380 nan 0.000 0.424 1428 V N 2.655 122.554 119.914 -0.025 0.000 2.282 1428 V HA -0.235 3.885 4.120 -0.000 0.000 0.249 1428 V C 2.359 178.443 176.094 -0.017 0.000 1.057 1428 V CA 1.282 63.567 62.300 -0.024 0.000 1.032 1428 V CB -0.442 31.367 31.823 -0.024 0.000 0.645 1428 V HN 0.246 nan 8.190 nan 0.000 0.447 1429 I N -0.674 119.890 120.570 -0.010 0.000 2.264 1429 I HA -0.226 3.944 4.170 -0.000 0.000 0.248 1429 I C 2.249 178.361 176.117 -0.008 0.000 1.111 1429 I CA 1.848 63.145 61.300 -0.004 0.000 1.382 1429 I CB -1.116 36.889 38.000 0.007 0.000 1.060 1429 I HN 0.303 nan 8.210 nan 0.000 0.418 1430 L N 0.294 121.509 121.223 -0.014 0.000 2.418 1430 L HA 0.143 4.483 4.340 -0.000 0.000 0.218 1430 L C 1.342 178.200 176.870 -0.019 0.000 1.125 1430 L CA 0.715 55.544 54.840 -0.018 0.000 0.835 1430 L CB -0.350 41.694 42.059 -0.025 0.000 0.953 1430 L HN 0.480 nan 8.230 nan 0.000 0.454 1431 G N 0.567 109.354 108.800 -0.021 0.000 2.248 1431 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.263 1431 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.263 1431 G C -0.178 174.707 174.900 -0.025 0.000 1.082 1431 G CA -0.191 44.896 45.100 -0.022 0.000 0.863 1431 G HN 0.417 nan 8.290 nan 0.000 0.495 1432 Q N -0.786 118.996 119.800 -0.029 0.000 2.451 1432 Q HA 0.640 4.979 4.340 -0.000 0.000 0.281 1432 Q C 0.195 176.172 176.000 -0.039 0.000 1.099 1432 Q CA -1.187 54.597 55.803 -0.032 0.000 0.806 1432 Q CB 1.737 30.457 28.738 -0.030 0.000 1.419 1432 Q HN 0.343 nan 8.270 nan 0.000 0.427 1433 M N 1.548 121.121 119.600 -0.044 0.000 2.239 1433 M HA 0.340 4.820 4.480 -0.000 0.000 0.348 1433 M C -0.710 175.551 176.300 -0.066 0.000 1.239 1433 M CA 0.099 55.364 55.300 -0.058 0.000 1.114 1433 M CB 0.533 33.095 32.600 -0.064 0.000 1.641 1433 M HN 0.846 nan 8.290 nan 0.000 0.453 1434 A N 6.380 129.155 122.820 -0.075 0.000 2.282 1434 A HA 0.608 4.928 4.320 -0.000 0.000 0.319 1434 A C -2.414 175.109 177.584 -0.102 0.000 1.121 1434 A CA -1.566 50.425 52.037 -0.077 0.000 0.836 1434 A CB 0.068 19.025 19.000 -0.071 0.000 1.146 1434 A HN 0.639 nan 8.150 nan 0.000 0.494 1435 P HA 0.175 nan 4.420 nan 0.000 0.237 1435 P C -1.008 176.207 177.300 -0.141 0.000 1.701 1435 P CA 0.592 63.627 63.100 -0.107 0.000 0.955 1435 P CB -0.505 31.162 31.700 -0.056 0.000 1.937 1436 I N 0.141 120.615 120.570 -0.161 0.000 2.410 1436 I HA 0.362 4.532 4.170 -0.000 0.000 0.286 1436 I C 1.407 177.410 176.117 -0.190 0.000 1.009 1436 I CA -0.050 61.153 61.300 -0.162 0.000 1.111 1436 I CB 0.668 38.592 38.000 -0.126 0.000 1.262 1436 I HN 0.296 nan 8.210 nan 0.000 0.443 1437 G N 4.925 113.612 108.800 -0.189 0.000 2.684 1437 G HA2 -0.449 3.510 3.960 -0.000 0.000 0.358 1437 G HA3 -0.449 3.510 3.960 -0.000 0.000 0.358 1437 G C 1.233 175.990 174.900 -0.239 0.000 1.164 1437 G CA 1.350 46.354 45.100 -0.160 0.000 0.935 1437 G HN 0.505 nan 8.290 nan 0.000 0.574 1438 T N 1.326 115.763 114.554 -0.196 0.000 2.837 1438 T HA -0.036 4.314 4.350 -0.000 0.000 0.266 1438 T C 1.779 176.108 174.700 -0.617 0.000 1.077 1438 T CA 2.310 64.243 62.100 -0.277 0.000 1.133 1438 T CB -0.428 68.356 68.868 -0.140 0.000 0.830 1438 T HN 1.425 nan 8.240 nan 0.000 0.512 1439 G N -0.599 107.900 108.800 -0.502 0.000 4.044 1439 G HA2 0.515 4.475 3.960 -0.000 0.000 0.297 1439 G HA3 0.515 4.475 3.960 -0.000 0.000 0.297 1439 G C 0.637 175.285 174.900 -0.420 0.000 1.101 1439 G CA 0.244 45.053 45.100 -0.484 0.000 0.884 1439 G HN 0.436 nan 8.290 nan 0.000 0.538 1440 A N 0.362 122.866 122.820 -0.528 0.000 2.415 1440 A HA 0.690 5.010 4.320 -0.000 0.000 0.248 1440 A C 0.102 177.746 177.584 0.100 0.000 1.299 1440 A CA -0.211 51.713 52.037 -0.188 0.000 0.899 1440 A CB -0.529 18.368 19.000 -0.171 0.000 0.997 1440 A HN 0.792 nan 8.150 nan 0.000 0.506 1441 F N -4.012 116.001 119.950 0.106 0.000 2.773 1441 F HA 0.683 5.210 4.527 -0.000 0.000 0.314 1441 F C -1.457 174.384 175.800 0.069 0.000 1.160 1441 F CA -1.845 56.234 58.000 0.132 0.000 0.920 1441 F CB 0.332 39.450 39.000 0.197 0.000 1.323 1441 F HN -0.175 nan 8.300 nan 0.000 0.457 1442 D N 0.459 121.087 120.400 0.381 0.000 2.392 1442 D HA 0.738 5.378 4.640 -0.000 0.000 0.246 1442 D C -1.138 175.321 176.300 0.266 0.000 1.013 1442 D CA -0.244 53.902 54.000 0.242 0.000 0.993 1442 D CB 2.642 43.519 40.800 0.128 0.000 1.219 1442 D HN 0.524 nan 8.370 nan 0.000 0.538 1443 V N 0.362 120.381 119.914 0.176 0.000 2.656 1443 V HA 0.632 4.752 4.120 -0.000 0.000 0.307 1443 V C -0.199 175.940 176.094 0.075 0.000 1.051 1443 V CA -0.706 61.672 62.300 0.130 0.000 0.893 1443 V CB 1.762 33.671 31.823 0.144 0.000 0.999 1443 V HN 0.458 nan 8.190 nan 0.000 0.426 1444 M N 3.959 123.588 119.600 0.049 0.000 2.531 1444 M HA 0.609 5.089 4.480 -0.000 0.000 0.286 1444 M C -1.145 175.167 176.300 0.020 0.000 1.232 1444 M CA -0.433 54.886 55.300 0.032 0.000 0.877 1444 M CB 3.025 35.640 32.600 0.024 0.000 1.726 1444 M HN 0.496 nan 8.290 nan 0.000 0.463 1445 I N 1.357 121.936 120.570 0.016 0.000 2.308 1445 I HA 0.132 4.302 4.170 -0.000 0.000 0.293 1445 I C -0.182 175.929 176.117 -0.010 0.000 1.078 1445 I CA -0.313 60.991 61.300 0.007 0.000 1.292 1445 I CB 0.084 38.090 38.000 0.010 0.000 1.423 1445 I HN 0.542 nan 8.210 nan 0.000 0.493 1446 D N 6.601 126.986 120.400 -0.025 0.000 2.470 1446 D HA -0.050 4.590 4.640 -0.000 0.000 0.226 1446 D C 1.338 177.599 176.300 -0.064 0.000 1.196 1446 D CA 0.135 54.108 54.000 -0.044 0.000 0.979 1446 D CB 0.563 41.329 40.800 -0.057 0.000 1.059 1446 D HN 0.460 nan 8.370 nan 0.000 0.515 1447 E N 3.062 123.235 120.200 -0.046 0.000 2.233 1447 E HA -0.250 4.100 4.350 -0.000 0.000 0.199 1447 E C 0.874 177.430 176.600 -0.075 0.000 1.004 1447 E CA 1.067 57.437 56.400 -0.051 0.000 0.819 1447 E CB 0.359 30.040 29.700 -0.032 0.000 0.738 1447 E HN 0.669 nan 8.360 nan 0.000 0.478 1448 E N 0.078 120.231 120.200 -0.078 0.000 1.992 1448 E HA -0.181 4.169 4.350 -0.000 0.000 0.202 1448 E C 2.084 178.594 176.600 -0.151 0.000 1.007 1448 E CA 1.811 58.157 56.400 -0.090 0.000 0.857 1448 E CB -0.192 29.463 29.700 -0.075 0.000 0.796 1448 E HN 0.326 nan 8.360 nan 0.000 0.486 1449 S N 1.204 116.782 115.700 -0.202 0.000 2.428 1449 S HA -0.218 4.252 4.470 -0.000 0.000 0.240 1449 S C 1.824 176.093 174.600 -0.551 0.000 1.036 1449 S CA 1.093 59.062 58.200 -0.385 0.000 1.009 1449 S CB -0.373 62.587 63.200 -0.399 0.000 0.803 1449 S HN 0.258 nan 8.310 nan 0.000 0.486 1450 L N 1.015 122.048 121.223 -0.317 0.000 2.700 1450 L HA 0.260 4.600 4.340 -0.000 0.000 0.240 1450 L C 1.468 178.256 176.870 -0.136 0.000 1.162 1450 L CA 0.591 55.301 54.840 -0.216 0.000 0.874 1450 L CB -0.328 41.676 42.059 -0.091 0.000 1.001 1450 L HN 0.260 nan 8.230 nan 0.000 0.447 1451 V N -1.889 117.928 119.914 -0.161 0.000 3.371 1451 V HA 0.023 4.143 4.120 -0.000 0.000 0.246 1451 V C 2.032 178.099 176.094 -0.045 0.000 1.303 1451 V CA 0.339 62.596 62.300 -0.070 0.000 1.156 1451 V CB 0.152 31.942 31.823 -0.055 0.000 0.929 1451 V HN 0.311 nan 8.190 nan 0.000 0.459 1452 K N 0.007 120.343 120.400 -0.106 0.000 2.362 1452 K HA -0.038 4.282 4.320 -0.000 0.000 0.200 1452 K C 0.205 176.919 176.600 0.190 0.000 1.046 1452 K CA 0.975 57.261 56.287 -0.001 0.000 0.952 1452 K CB -0.097 32.381 32.500 -0.038 0.000 0.753 1452 K HN 0.519 nan 8.250 nan 0.000 0.466 1453 Y N 2.010 122.311 120.300 0.002 0.000 2.724 1453 Y HA 0.202 4.752 4.550 -0.000 0.000 0.332 1453 Y C 0.062 175.964 175.900 0.004 0.000 1.276 1453 Y CA -1.006 57.096 58.100 0.003 0.000 1.597 1453 Y CB -0.314 38.148 38.460 0.003 0.000 1.584 1453 Y HN 0.034 nan 8.280 nan 0.000 0.478 1454 M N 1.683 121.372 119.600 0.149 0.000 2.431 1454 M HA 0.406 4.886 4.480 -0.000 0.000 0.213 1454 M C -3.223 173.110 176.300 0.055 0.000 0.955 1454 M CA -1.306 54.044 55.300 0.083 0.000 0.844 1454 M CB 0.894 33.532 32.600 0.063 0.000 2.440 1454 M HN 0.044 nan 8.290 nan 0.000 0.434 1455 P HA 0.000 nan 4.420 nan 0.000 0.216 1455 P CA 0.000 63.116 63.100 0.027 0.000 0.800 1455 P CB 0.000 31.712 31.700 0.020 0.000 0.726