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 3gtm_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 NTFHFAGVAS 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 0.000 176.094 176.094 -0.001 0.000 1.182 2 V CA 0.000 62.303 62.300 0.005 0.000 1.235 2 V CB 0.000 31.826 31.823 0.005 0.000 1.184 3 G N 3.886 112.683 108.800 -0.005 0.000 2.507 3 G HA2 0.151 4.114 3.960 0.004 0.000 0.205 3 G HA3 0.151 4.114 3.960 0.004 0.000 0.205 3 G C -0.200 174.694 174.900 -0.010 0.000 0.996 3 G CA 0.175 45.269 45.100 -0.011 0.000 0.776 3 G HN 1.454 nan 8.290 nan 0.000 0.532 4 Q N -0.378 119.420 119.800 -0.003 0.000 3.227 4 Q HA -0.146 4.197 4.340 0.004 0.000 0.026 4 Q C 0.247 176.253 176.000 0.010 0.000 1.706 4 Q CA 1.478 57.281 55.803 0.000 0.000 0.243 4 Q CB -0.910 27.823 28.738 -0.009 0.000 0.584 4 Q HN 1.343 nan 8.270 nan 0.000 0.322 5 Q N -0.509 119.308 119.800 0.028 0.000 3.135 5 Q HA -0.243 4.100 4.340 0.004 0.000 0.048 5 Q C -0.767 175.276 176.000 0.071 0.000 1.656 5 Q CA 0.736 56.568 55.803 0.050 0.000 0.292 5 Q CB -0.442 28.310 28.738 0.024 0.000 0.586 5 Q HN 0.600 nan 8.270 nan 0.000 0.322 6 Y N 2.569 122.867 120.300 -0.004 0.000 2.497 6 Y HA 0.256 4.808 4.550 0.004 0.000 0.334 6 Y C 0.127 176.027 175.900 0.001 0.000 1.199 6 Y CA 0.875 58.974 58.100 -0.001 0.000 1.425 6 Y CB 0.841 39.302 38.460 0.001 0.000 1.291 6 Y HN 0.462 nan 8.280 nan 0.000 0.562 7 S N 2.913 118.092 115.700 -0.869 0.000 2.532 7 S HA 0.380 4.852 4.470 0.004 0.000 0.301 7 S C 0.610 174.520 174.600 -1.150 0.000 1.083 7 S CA -0.188 57.563 58.200 -0.749 0.000 1.025 7 S CB 1.403 64.395 63.200 -0.347 0.000 1.056 7 S HN 0.901 nan 8.310 nan 0.000 0.494 8 S N 3.236 118.578 115.700 -0.597 0.000 2.355 8 S HA 0.104 4.576 4.470 0.004 0.000 0.222 8 S C 1.261 175.765 174.600 -0.159 0.000 1.031 8 S CA 0.439 58.471 58.200 -0.280 0.000 0.993 8 S CB -1.337 61.824 63.200 -0.065 0.000 0.859 8 S HN 1.483 nan 8.310 nan 0.000 0.453 9 A N 4.351 127.083 122.820 -0.146 0.000 2.587 9 A HA 0.351 4.673 4.320 0.004 0.000 0.233 9 A C -1.587 175.962 177.584 -0.058 0.000 1.049 9 A CA -0.783 51.208 52.037 -0.078 0.000 0.754 9 A CB -0.716 18.241 19.000 -0.072 0.000 0.977 9 A HN 0.471 nan 8.150 nan 0.000 0.509 10 P HA 0.191 nan 4.420 nan 0.000 0.269 10 P C -0.625 176.673 177.300 -0.002 0.000 1.209 10 P CA -0.249 62.854 63.100 0.004 0.000 0.776 10 P CB 0.576 32.280 31.700 0.007 0.000 0.876 11 L N 4.348 125.579 121.223 0.013 0.000 2.283 11 L HA 0.330 4.673 4.340 0.004 0.000 0.287 11 L C -0.001 176.873 176.870 0.005 0.000 1.073 11 L CA 0.283 55.128 54.840 0.009 0.000 0.822 11 L CB -0.070 42.004 42.059 0.025 0.000 1.186 11 L HN 0.297 nan 8.230 nan 0.000 0.436 12 R N 2.740 123.238 120.500 -0.004 0.000 2.673 12 R HA 0.518 4.861 4.340 0.004 0.000 0.281 12 R C -0.496 175.797 176.300 -0.011 0.000 0.991 12 R CA -0.582 55.514 56.100 -0.005 0.000 0.896 12 R CB 1.885 32.181 30.300 -0.006 0.000 1.201 12 R HN 0.709 nan 8.270 nan 0.000 0.457 13 T N -1.514 113.034 114.554 -0.011 0.000 2.816 13 T HA 0.345 4.698 4.350 0.004 0.000 0.282 13 T C 0.477 175.165 174.700 -0.019 0.000 0.993 13 T CA -0.695 61.396 62.100 -0.015 0.000 0.994 13 T CB 1.006 69.865 68.868 -0.015 0.000 1.025 13 T HN 0.154 nan 8.240 nan 0.000 0.529 14 V N 2.529 122.429 119.914 -0.023 0.000 2.432 14 V HA 0.292 4.415 4.120 0.004 0.000 0.275 14 V C 0.922 177.002 176.094 -0.024 0.000 1.043 14 V CA -0.534 61.748 62.300 -0.029 0.000 0.925 14 V CB 1.157 32.958 31.823 -0.036 0.000 0.985 14 V HN 0.857 nan 8.190 nan 0.000 0.466 15 K N 2.588 122.974 120.400 -0.024 0.000 2.306 15 K HA 0.344 4.666 4.320 0.004 0.000 0.200 15 K C 0.294 176.884 176.600 -0.016 0.000 1.083 15 K CA 0.396 56.674 56.287 -0.015 0.000 0.959 15 K CB 0.927 33.421 32.500 -0.011 0.000 0.994 15 K HN 0.658 nan 8.250 nan 0.000 0.492 16 E N 0.660 120.842 120.200 -0.030 0.000 2.336 16 E HA 0.427 4.779 4.350 0.004 0.000 0.267 16 E C -1.331 175.226 176.600 -0.071 0.000 0.906 16 E CA -0.747 55.631 56.400 -0.036 0.000 0.781 16 E CB 3.123 32.803 29.700 -0.034 0.000 1.261 16 E HN -0.272 nan 8.360 nan 0.000 0.436 17 V N 2.684 122.554 119.914 -0.073 0.000 2.445 17 V HA 0.129 4.252 4.120 0.004 0.000 0.283 17 V C -0.742 175.243 176.094 -0.182 0.000 1.014 17 V CA -0.780 61.423 62.300 -0.162 0.000 0.852 17 V CB 1.464 33.199 31.823 -0.146 0.000 1.021 17 V HN 0.562 nan 8.190 nan 0.000 0.435 18 Q N 3.703 123.329 119.800 -0.290 0.000 2.361 18 Q HA 0.421 4.763 4.340 0.004 0.000 0.250 18 Q C -0.741 175.035 176.000 -0.375 0.000 1.023 18 Q CA -0.130 55.487 55.803 -0.311 0.000 0.915 18 Q CB 1.158 29.583 28.738 -0.523 0.000 1.238 18 Q HN 0.573 nan 8.270 nan 0.000 0.451 19 F N 0.778 120.611 119.950 -0.196 0.000 2.443 19 F HA 0.479 5.008 4.527 0.004 0.000 0.353 19 F C 1.244 176.974 175.800 -0.117 0.000 1.101 19 F CA 0.571 58.485 58.000 -0.143 0.000 1.226 19 F CB 1.201 40.152 39.000 -0.081 0.000 1.140 19 F HN 0.533 nan 8.300 nan 0.000 0.557 20 G N 2.461 111.295 108.800 0.056 0.000 2.753 20 G HA2 0.689 4.652 3.960 0.004 0.000 0.303 20 G HA3 0.689 4.652 3.960 0.004 0.000 0.303 20 G C -1.872 173.085 174.900 0.096 0.000 1.242 20 G CA -0.821 44.344 45.100 0.109 0.000 0.810 20 G HN 0.487 nan 8.290 nan 0.000 0.515 21 L N -0.525 120.777 121.223 0.131 0.000 2.350 21 L HA 0.562 4.905 4.340 0.004 0.000 0.260 21 L C -1.105 175.740 176.870 -0.041 0.000 1.015 21 L CA -0.795 54.105 54.840 0.100 0.000 0.821 21 L CB 2.849 45.086 42.059 0.296 0.000 1.370 21 L HN 0.467 nan 8.230 nan 0.000 0.416 22 F N 1.005 120.904 119.950 -0.086 0.000 2.421 22 F HA 0.202 4.732 4.527 0.004 0.000 0.358 22 F C 0.664 176.191 175.800 -0.455 0.000 1.115 22 F CA -0.491 57.364 58.000 -0.242 0.000 1.160 22 F CB 1.400 40.284 39.000 -0.193 0.000 1.123 22 F HN 0.424 nan 8.300 nan 0.000 0.508 23 S N 5.694 121.047 115.700 -0.577 0.000 2.489 23 S HA 0.249 4.721 4.470 0.004 0.000 0.277 23 S C -1.713 172.574 174.600 -0.521 0.000 1.230 23 S CA -1.444 56.026 58.200 -1.216 0.000 1.053 23 S CB 1.385 63.405 63.200 -1.967 0.000 0.955 23 S HN 0.418 nan 8.310 nan 0.000 0.488 24 P HA -0.181 nan 4.420 nan 0.000 0.217 24 P C 0.792 177.982 177.300 -0.184 0.000 1.148 24 P CA 1.371 64.356 63.100 -0.192 0.000 0.834 24 P CB 0.124 31.772 31.700 -0.088 0.000 0.783 25 E N -0.195 119.894 120.200 -0.186 0.000 2.152 25 E HA -0.138 4.215 4.350 0.004 0.000 0.192 25 E C 2.075 178.583 176.600 -0.153 0.000 0.983 25 E CA 0.838 57.158 56.400 -0.134 0.000 0.818 25 E CB -0.496 29.157 29.700 -0.077 0.000 0.758 25 E HN 0.416 nan 8.360 nan 0.000 0.467 26 E N -0.107 119.980 120.200 -0.187 0.000 2.442 26 E HA -0.037 4.315 4.350 0.004 0.000 0.195 26 E C 1.375 177.865 176.600 -0.183 0.000 1.030 26 E CA 0.127 56.449 56.400 -0.130 0.000 0.869 26 E CB 0.439 30.099 29.700 -0.067 0.000 0.857 26 E HN 0.076 nan 8.360 nan 0.000 0.505 27 V N 0.594 120.339 119.914 -0.281 0.000 2.488 27 V HA -0.134 3.988 4.120 0.004 0.000 0.246 27 V C 2.149 178.040 176.094 -0.339 0.000 1.046 27 V CA 1.450 63.509 62.300 -0.403 0.000 1.053 27 V CB -0.284 31.313 31.823 -0.378 0.000 0.679 27 V HN 0.165 nan 8.190 nan 0.000 0.458 28 R N 0.091 120.397 120.500 -0.323 0.000 2.193 28 R HA 0.123 4.466 4.340 0.004 0.000 0.213 28 R C 2.206 178.313 176.300 -0.321 0.000 1.055 28 R CA 1.025 56.854 56.100 -0.451 0.000 0.995 28 R CB -0.296 29.805 30.300 -0.331 0.000 0.893 28 R HN 0.506 nan 8.270 nan 0.000 0.459 29 A N 0.374 123.068 122.820 -0.210 0.000 2.072 29 A HA 0.037 4.360 4.320 0.004 0.000 0.216 29 A C 1.908 179.421 177.584 -0.119 0.000 1.156 29 A CA 0.681 52.634 52.037 -0.139 0.000 0.701 29 A CB -0.039 18.904 19.000 -0.096 0.000 0.816 29 A HN 0.147 nan 8.150 nan 0.000 0.458 30 I N -1.007 119.479 120.570 -0.139 0.000 2.494 30 I HA -0.034 4.139 4.170 0.004 0.000 0.250 30 I C 1.499 177.578 176.117 -0.063 0.000 1.112 30 I CA 0.307 61.553 61.300 -0.091 0.000 1.438 30 I CB 0.046 37.979 38.000 -0.113 0.000 1.111 30 I HN 0.281 nan 8.210 nan 0.000 0.431 31 S N -0.001 115.636 115.700 -0.106 0.000 2.576 31 S HA 0.072 4.545 4.470 0.004 0.000 0.272 31 S C 0.957 175.552 174.600 -0.009 0.000 1.352 31 S CA 0.003 58.195 58.200 -0.014 0.000 1.021 31 S CB 1.213 64.421 63.200 0.013 0.000 0.887 31 S HN 0.199 nan 8.310 nan 0.000 0.542 32 V N 0.863 120.801 119.914 0.041 0.000 3.473 32 V HA 0.624 4.747 4.120 0.004 0.000 0.253 32 V C 0.568 176.684 176.094 0.037 0.000 1.340 32 V CA 0.319 62.624 62.300 0.008 0.000 1.103 32 V CB -0.731 31.066 31.823 -0.044 0.000 0.881 32 V HN 0.871 nan 8.190 nan 0.000 0.451 33 A N 0.809 123.671 122.820 0.070 0.000 2.312 33 A HA 0.787 5.109 4.320 0.004 0.000 0.326 33 A C 0.450 178.080 177.584 0.076 0.000 1.172 33 A CA -0.486 51.583 52.037 0.054 0.000 0.821 33 A CB 1.506 20.521 19.000 0.025 0.000 1.166 33 A HN 0.265 nan 8.150 nan 0.000 0.493 34 K N 1.411 121.816 120.400 0.008 0.000 2.393 34 K HA 0.313 4.636 4.320 0.004 0.000 0.193 34 K C 0.048 176.470 176.600 -0.296 0.000 1.026 34 K CA -0.100 56.127 56.287 -0.099 0.000 1.064 34 K CB -0.282 32.205 32.500 -0.022 0.000 0.833 34 K HN 0.700 nan 8.250 nan 0.000 0.521 35 I N 2.131 122.583 120.570 -0.196 0.000 2.990 35 I HA -0.419 3.754 4.170 0.004 0.000 0.126 35 I C 0.555 176.466 176.117 -0.343 0.000 0.911 35 I CA 0.838 62.005 61.300 -0.222 0.000 2.775 35 I CB -0.184 37.696 38.000 -0.200 0.000 0.775 35 I HN 0.395 nan 8.210 nan 0.000 0.350 36 R N 3.973 124.190 120.500 -0.471 0.000 2.591 36 R HA 0.292 4.635 4.340 0.004 0.000 0.288 36 R C -0.743 175.023 176.300 -0.890 0.000 0.947 36 R CA -0.063 55.571 56.100 -0.777 0.000 1.085 36 R CB 0.669 30.303 30.300 -1.109 0.000 1.618 36 R HN 0.390 nan 8.270 nan 0.000 0.524 37 F N 0.932 120.841 119.950 -0.067 0.000 2.529 37 F HA 0.418 4.948 4.527 0.004 0.000 0.320 37 F C -1.960 173.804 175.800 -0.059 0.000 1.118 37 F CA -2.568 55.399 58.000 -0.055 0.000 0.915 37 F CB 1.966 40.939 39.000 -0.046 0.000 1.161 37 F HN -0.243 nan 8.300 nan 0.000 0.445 38 P HA 0.184 nan 4.420 nan 0.000 0.249 38 P C -0.529 176.792 177.300 0.035 0.000 1.583 38 P CA 0.200 63.321 63.100 0.034 0.000 0.988 38 P CB 0.189 31.899 31.700 0.017 0.000 1.530 39 E N -1.058 119.172 120.200 0.050 0.000 2.961 39 E HA 0.386 4.739 4.350 0.004 0.000 0.254 39 E C 0.641 177.234 176.600 -0.011 0.000 1.192 39 E CA -0.389 56.021 56.400 0.018 0.000 1.069 39 E CB 0.510 30.217 29.700 0.011 0.000 1.338 39 E HN -0.123 nan 8.360 nan 0.000 0.596 40 T N -0.682 113.857 114.554 -0.025 0.000 3.330 40 T HA 0.163 4.515 4.350 0.004 0.000 0.185 40 T C 0.977 175.655 174.700 -0.036 0.000 0.874 40 T CA 0.033 62.105 62.100 -0.047 0.000 1.268 40 T CB -0.026 68.802 68.868 -0.067 0.000 1.866 40 T HN 0.495 nan 8.240 nan 0.000 0.395 41 M N 0.302 119.881 119.600 -0.035 0.000 2.318 41 M HA 0.616 5.099 4.480 0.004 0.000 0.214 41 M C -1.191 175.091 176.300 -0.031 0.000 0.644 41 M CA -0.530 54.750 55.300 -0.032 0.000 1.869 41 M CB 0.001 32.582 32.600 -0.031 0.000 1.117 41 M HN 0.025 nan 8.290 nan 0.000 0.906 42 D N 2.378 122.762 120.400 -0.028 0.000 3.908 42 D HA -0.099 4.543 4.640 0.004 0.000 0.237 42 D C -1.040 175.237 176.300 -0.039 0.000 1.091 42 D CA 0.741 54.725 54.000 -0.027 0.000 1.147 42 D CB -0.666 40.122 40.800 -0.020 0.000 0.857 42 D HN 0.689 nan 8.370 nan 0.000 0.410 43 E N 0.518 120.693 120.200 -0.042 0.000 2.773 43 E HA 0.133 4.486 4.350 0.004 0.000 0.302 43 E C 0.040 176.612 176.600 -0.046 0.000 1.574 43 E CA -0.014 56.354 56.400 -0.053 0.000 1.775 43 E CB -0.176 29.494 29.700 -0.049 0.000 1.413 43 E HN 0.343 nan 8.360 nan 0.000 0.471 44 T N 1.089 115.617 114.554 -0.042 0.000 4.081 44 T HA -0.222 4.130 4.350 0.004 0.000 0.364 44 T C 0.520 175.206 174.700 -0.023 0.000 0.757 44 T CA 0.727 62.808 62.100 -0.032 0.000 2.003 44 T CB -1.553 67.295 68.868 -0.033 0.000 1.820 44 T HN 0.691 nan 8.240 nan 0.000 0.875 45 Q N -2.597 117.191 119.800 -0.020 0.000 2.325 45 Q HA -0.189 4.153 4.340 0.004 0.000 0.153 45 Q C 0.338 176.330 176.000 -0.014 0.000 0.593 45 Q CA 1.860 57.655 55.803 -0.013 0.000 1.337 45 Q CB -1.771 26.962 28.738 -0.009 0.000 1.265 45 Q HN 0.771 nan 8.270 nan 0.000 0.987 46 T N 2.188 116.731 114.554 -0.018 0.000 2.908 46 T HA 0.068 4.421 4.350 0.004 0.000 0.301 46 T C 0.320 175.010 174.700 -0.017 0.000 1.019 46 T CA 0.065 62.154 62.100 -0.017 0.000 1.152 46 T CB 0.338 69.193 68.868 -0.021 0.000 0.966 46 T HN 0.115 nan 8.240 nan 0.000 0.540 47 R N 2.596 123.088 120.500 -0.014 0.000 2.630 47 R HA 0.370 4.713 4.340 0.004 0.000 0.286 47 R C 0.466 176.756 176.300 -0.017 0.000 1.391 47 R CA -0.195 55.897 56.100 -0.014 0.000 1.027 47 R CB -0.430 29.864 30.300 -0.010 0.000 1.099 47 R HN 0.746 nan 8.270 nan 0.000 0.525 48 A N 2.549 125.357 122.820 -0.020 0.000 4.978 48 A HA 0.535 4.858 4.320 0.004 0.000 0.137 48 A C -1.148 176.420 177.584 -0.026 0.000 0.956 48 A CA -0.569 51.455 52.037 -0.022 0.000 1.577 48 A CB 1.133 20.119 19.000 -0.023 0.000 2.444 48 A HN 0.393 nan 8.150 nan 0.000 1.089 49 K N -0.541 119.843 120.400 -0.027 0.000 2.551 49 K HA 0.581 4.903 4.320 0.004 0.000 0.269 49 K C -1.632 174.950 176.600 -0.030 0.000 0.949 49 K CA -0.364 55.906 56.287 -0.029 0.000 0.849 49 K CB 2.703 35.187 32.500 -0.027 0.000 1.411 49 K HN 0.574 nan 8.250 nan 0.000 0.432 50 I N 0.539 121.090 120.570 -0.031 0.000 2.440 50 I HA 0.246 4.419 4.170 0.004 0.000 0.294 50 I C 0.722 176.834 176.117 -0.009 0.000 0.995 50 I CA 0.003 61.279 61.300 -0.039 0.000 1.306 50 I CB 1.211 39.173 38.000 -0.063 0.000 1.407 50 I HN 0.844 nan 8.210 nan 0.000 0.501 51 G N 4.789 113.585 108.800 -0.006 0.000 3.284 51 G HA2 0.305 4.267 3.960 0.004 0.000 0.251 51 G HA3 0.305 4.267 3.960 0.004 0.000 0.251 51 G C 0.522 175.520 174.900 0.164 0.000 0.913 51 G CA 0.428 45.556 45.100 0.047 0.000 1.947 51 G HN 0.958 nan 8.290 nan 0.000 0.635 52 G N -0.102 108.808 108.800 0.183 0.000 2.735 52 G HA2 0.217 4.179 3.960 0.004 0.000 0.204 52 G HA3 0.217 4.179 3.960 0.004 0.000 0.204 52 G C 0.813 175.783 174.900 0.117 0.000 1.218 52 G CA 0.152 45.468 45.100 0.360 0.000 0.612 52 G HN 0.376 nan 8.290 nan 0.000 0.913 53 L N 0.860 122.119 121.223 0.059 0.000 2.611 53 L HA 0.429 4.771 4.340 0.004 0.000 0.187 53 L C 0.298 177.151 176.870 -0.028 0.000 1.334 53 L CA -0.366 54.469 54.840 -0.008 0.000 2.722 53 L CB 0.155 42.199 42.059 -0.024 0.000 2.570 53 L HN 0.388 nan 8.230 nan 0.000 1.073 54 N N -0.767 117.907 118.700 -0.042 0.000 2.472 54 N HA 0.210 4.952 4.740 0.004 0.000 0.277 54 N C -0.647 174.843 175.510 -0.032 0.000 1.081 54 N CA -0.067 52.953 53.050 -0.050 0.000 0.973 54 N CB 1.564 40.009 38.487 -0.070 0.000 1.105 54 N HN 0.430 nan 8.380 nan 0.000 0.470 55 D N -0.089 120.296 120.400 -0.024 0.000 2.207 55 D HA -0.096 4.547 4.640 0.004 0.000 0.166 55 D C -1.740 174.559 176.300 -0.002 0.000 0.889 55 D CA 0.212 54.204 54.000 -0.013 0.000 0.961 55 D CB -1.873 38.917 40.800 -0.018 0.000 1.114 55 D HN 0.521 nan 8.370 nan 0.000 0.529 56 P HA 0.011 nan 4.420 nan 0.000 0.238 56 P C 0.255 177.560 177.300 0.008 0.000 1.175 56 P CA 1.445 64.552 63.100 0.012 0.000 0.757 56 P CB 0.021 31.729 31.700 0.013 0.000 0.839 57 R N -4.665 115.839 120.500 0.005 0.000 1.869 57 R HA -0.015 4.328 4.340 0.004 0.000 0.434 57 R C 0.502 176.815 176.300 0.021 0.000 0.375 57 R CA -0.109 55.989 56.100 -0.004 0.000 1.320 57 R CB -1.361 28.928 30.300 -0.019 0.000 1.946 57 R HN 0.119 nan 8.270 nan 0.000 0.308 58 L N -1.171 120.082 121.223 0.050 0.000 2.583 58 L HA 0.614 4.957 4.340 0.004 0.000 0.165 58 L C 1.252 178.200 176.870 0.130 0.000 1.560 58 L CA -0.007 54.901 54.840 0.113 0.000 3.120 58 L CB -0.176 41.898 42.059 0.026 0.000 2.974 58 L HN 0.050 nan 8.230 nan 0.000 0.955 59 G N -0.601 108.222 108.800 0.037 0.000 2.388 59 G HA2 0.524 4.487 3.960 0.004 0.000 0.330 59 G HA3 0.524 4.487 3.960 0.004 0.000 0.330 59 G C -0.543 174.349 174.900 -0.014 0.000 1.142 59 G CA -0.262 44.842 45.100 0.007 0.000 0.908 59 G HN 0.488 nan 8.290 nan 0.000 0.473 60 S N 0.806 116.499 115.700 -0.012 0.000 2.646 60 S HA 0.576 5.048 4.470 0.004 0.000 0.273 60 S C 0.831 175.410 174.600 -0.035 0.000 1.168 60 S CA -0.684 57.503 58.200 -0.021 0.000 1.013 60 S CB 1.315 64.507 63.200 -0.013 0.000 1.098 60 S HN 0.430 nan 8.310 nan 0.000 0.544 61 I N -1.064 119.484 120.570 -0.037 0.000 4.193 61 I HA 0.098 4.271 4.170 0.004 0.000 0.287 61 I C 1.041 177.134 176.117 -0.041 0.000 1.175 61 I CA 0.024 61.297 61.300 -0.046 0.000 1.320 61 I CB -0.021 37.946 38.000 -0.055 0.000 1.523 61 I HN 0.508 nan 8.210 nan 0.000 0.450 62 D N 2.412 122.792 120.400 -0.034 0.000 2.393 62 D HA -0.116 4.527 4.640 0.004 0.000 0.220 62 D C 0.163 176.447 176.300 -0.025 0.000 0.974 62 D CA 0.872 54.854 54.000 -0.029 0.000 0.931 62 D CB 0.063 40.849 40.800 -0.023 0.000 0.889 62 D HN 0.232 nan 8.370 nan 0.000 0.512 63 R N -0.643 119.842 120.500 -0.025 0.000 3.364 63 R HA -0.120 4.223 4.340 0.004 0.000 0.283 63 R C -0.959 175.331 176.300 -0.017 0.000 1.128 63 R CA 0.052 56.139 56.100 -0.021 0.000 0.762 63 R CB -1.968 28.320 30.300 -0.020 0.000 1.336 63 R HN 0.057 nan 8.270 nan 0.000 0.429 64 N N 0.524 119.214 118.700 -0.016 0.000 2.424 64 N HA 0.284 5.026 4.740 0.004 0.000 0.271 64 N C 1.229 176.735 175.510 -0.008 0.000 0.985 64 N CA -0.618 52.425 53.050 -0.011 0.000 0.921 64 N CB 1.161 39.641 38.487 -0.012 0.000 1.149 64 N HN 0.037 nan 8.380 nan 0.000 0.492 65 L N 1.087 122.307 121.223 -0.005 0.000 2.089 65 L HA -0.198 4.145 4.340 0.004 0.000 0.213 65 L C 0.557 177.430 176.870 0.004 0.000 1.079 65 L CA 1.331 56.170 54.840 -0.001 0.000 0.758 65 L CB -0.332 41.727 42.059 -0.001 0.000 0.891 65 L HN 0.399 nan 8.230 nan 0.000 0.433 66 K N 0.119 120.520 120.400 0.001 0.000 2.366 66 K HA -0.068 4.255 4.320 0.004 0.000 0.272 66 K C -0.275 176.332 176.600 0.011 0.000 1.151 66 K CA 0.077 56.365 56.287 0.002 0.000 1.173 66 K CB 0.075 32.573 32.500 -0.003 0.000 0.853 66 K HN 0.182 nan 8.250 nan 0.000 0.473 67 C N 4.431 123.743 119.300 0.019 0.000 3.319 67 C HA 0.110 4.572 4.460 0.004 0.000 0.200 67 C C -0.949 174.049 174.990 0.012 0.000 1.332 67 C CA -0.522 58.521 59.018 0.043 0.000 1.170 67 C CB -1.153 26.641 27.740 0.091 0.000 1.855 67 C HN 1.036 nan 8.230 nan 0.000 0.593 68 Q N 1.473 121.263 119.800 -0.016 0.000 2.453 68 Q HA -0.195 4.147 4.340 0.004 0.000 0.330 68 Q C 0.787 176.769 176.000 -0.030 0.000 1.417 68 Q CA 1.071 56.850 55.803 -0.040 0.000 0.902 68 Q CB -2.432 26.253 28.738 -0.087 0.000 1.154 68 Q HN 0.911 nan 8.270 nan 0.000 0.395 69 T N -3.877 110.669 114.554 -0.014 0.000 10.222 69 T HA -0.425 3.927 4.350 0.004 0.000 0.382 69 T C 1.376 176.076 174.700 -0.001 0.000 1.698 69 T CA 1.554 63.649 62.100 -0.009 0.000 2.662 69 T CB -2.066 66.793 68.868 -0.014 0.000 2.712 69 T HN 1.041 nan 8.240 nan 0.000 1.066 70 C N 2.864 122.167 119.300 0.005 0.000 2.400 70 C HA -0.080 4.383 4.460 0.004 0.000 0.291 70 C C 2.191 177.198 174.990 0.027 0.000 1.372 70 C CA 1.919 60.953 59.018 0.027 0.000 1.800 70 C CB -1.938 25.846 27.740 0.074 0.000 1.869 70 C HN 0.939 nan 8.230 nan 0.000 0.533 71 Q N -0.465 119.347 119.800 0.019 0.000 2.174 71 Q HA -0.434 3.909 4.340 0.004 0.000 0.427 71 Q C 0.853 176.863 176.000 0.017 0.000 0.692 71 Q CA 2.343 58.154 55.803 0.014 0.000 0.909 71 Q CB -1.423 27.320 28.738 0.007 0.000 3.026 71 Q HN 0.479 nan 8.270 nan 0.000 0.891 72 E N -0.460 119.745 120.200 0.009 0.000 3.989 72 E HA -0.342 4.010 4.350 0.004 0.000 0.213 72 E C 1.029 177.629 176.600 -0.001 0.000 1.243 72 E CA 3.138 59.540 56.400 0.004 0.000 2.156 72 E CB -2.052 27.652 29.700 0.007 0.000 1.852 72 E HN 1.911 nan 8.360 nan 0.000 0.298 73 G N 0.493 109.294 108.800 0.000 0.000 2.819 73 G HA2 -0.137 3.825 3.960 0.004 0.000 0.682 73 G HA3 -0.137 3.825 3.960 0.004 0.000 0.682 73 G C 0.688 175.577 174.900 -0.019 0.000 1.481 73 G CA 1.598 46.694 45.100 -0.007 0.000 0.904 73 G HN 0.652 nan 8.290 nan 0.000 0.563 74 M N -0.935 118.650 119.600 -0.026 0.000 7.319 74 M HA -0.343 4.140 4.480 0.004 0.000 0.284 74 M C 1.085 177.364 176.300 -0.034 0.000 0.480 74 M CA 2.611 57.893 55.300 -0.031 0.000 1.311 74 M CB -1.229 31.355 32.600 -0.027 0.000 0.421 74 M HN 1.181 nan 8.290 nan 0.000 0.450 75 N N 1.215 119.898 118.700 -0.029 0.000 3.228 75 N HA 0.327 5.070 4.740 0.004 0.000 0.289 75 N C -0.284 175.210 175.510 -0.026 0.000 1.419 75 N CA 0.779 53.812 53.050 -0.029 0.000 1.088 75 N CB 0.686 39.157 38.487 -0.026 0.000 1.357 75 N HN 0.544 nan 8.380 nan 0.000 0.504 76 E N -0.013 120.169 120.200 -0.030 0.000 1.691 76 E HA 0.013 4.366 4.350 0.004 0.000 0.228 76 E C -0.941 175.638 176.600 -0.034 0.000 1.065 76 E CA -0.043 56.341 56.400 -0.027 0.000 1.388 76 E CB -0.630 29.059 29.700 -0.018 0.000 4.221 76 E HN 0.232 nan 8.360 nan 0.000 0.873 77 C N 4.377 123.654 119.300 -0.038 0.000 2.415 77 C HA 0.728 5.190 4.460 0.004 0.000 0.369 77 C C -1.185 173.738 174.990 -0.111 0.000 1.279 77 C CA -1.314 57.666 59.018 -0.063 0.000 1.886 77 C CB 0.313 28.034 27.740 -0.032 0.000 2.468 77 C HN 0.475 nan 8.230 nan 0.000 0.553 78 P HA 0.360 nan 4.420 nan 0.000 0.313 78 P C 0.001 177.168 177.300 -0.223 0.000 1.419 78 P CA 0.412 63.422 63.100 -0.150 0.000 0.842 78 P CB 0.096 31.723 31.700 -0.122 0.000 2.041 79 G N -0.995 107.668 108.800 -0.228 0.000 2.566 79 G HA2 0.465 4.428 3.960 0.004 0.000 0.311 79 G HA3 0.465 4.428 3.960 0.004 0.000 0.311 79 G C -1.076 173.668 174.900 -0.261 0.000 1.322 79 G CA -0.268 44.684 45.100 -0.246 0.000 0.969 79 G HN 0.345 nan 8.290 nan 0.000 0.490 80 H N 1.398 120.462 119.070 -0.009 0.000 2.489 80 H HA 0.344 4.903 4.556 0.004 0.000 0.322 80 H C -0.637 174.700 175.328 0.015 0.000 1.091 80 H CA -0.336 55.740 56.048 0.046 0.000 1.291 80 H CB 1.611 31.388 29.762 0.025 0.000 1.436 80 H HN 0.278 nan 8.280 nan 0.000 0.480 81 F N 0.710 120.722 119.950 0.104 0.000 2.389 81 F HA 0.390 4.920 4.527 0.004 0.000 0.337 81 F C 1.235 177.054 175.800 0.032 0.000 1.112 81 F CA 0.328 58.352 58.000 0.040 0.000 1.192 81 F CB 1.294 40.293 39.000 -0.001 0.000 1.185 81 F HN 0.539 nan 8.300 nan 0.000 0.552 82 G N 0.731 109.620 108.800 0.150 0.000 2.600 82 G HA2 0.573 4.536 3.960 0.004 0.000 0.303 82 G HA3 0.573 4.536 3.960 0.004 0.000 0.303 82 G C -1.867 173.134 174.900 0.168 0.000 1.253 82 G CA -0.671 44.507 45.100 0.130 0.000 0.974 82 G HN 0.830 nan 8.290 nan 0.000 0.483 83 H N -1.851 117.202 119.070 -0.028 0.000 2.771 83 H HA 0.775 5.334 4.556 0.004 0.000 0.367 83 H C -1.201 174.081 175.328 -0.076 0.000 1.172 83 H CA -1.253 54.759 56.048 -0.060 0.000 1.186 83 H CB 2.576 32.285 29.762 -0.088 0.000 1.790 83 H HN 0.531 nan 8.280 nan 0.000 0.556 84 I N 2.498 122.929 120.570 -0.232 0.000 2.503 84 I HA 0.198 4.370 4.170 0.004 0.000 0.282 84 I C -1.122 174.883 176.117 -0.186 0.000 1.059 84 I CA -0.802 60.321 61.300 -0.295 0.000 1.081 84 I CB 1.117 38.995 38.000 -0.205 0.000 1.210 84 I HN 0.703 nan 8.210 nan 0.000 0.450 85 D N 7.734 128.009 120.400 -0.208 0.000 2.493 85 D HA 0.182 4.825 4.640 0.004 0.000 0.240 85 D C -0.292 175.963 176.300 -0.075 0.000 1.142 85 D CA 0.703 54.654 54.000 -0.083 0.000 0.872 85 D CB 1.244 42.004 40.800 -0.067 0.000 1.173 85 D HN 0.442 nan 8.370 nan 0.000 0.467 86 L N 1.733 122.931 121.223 -0.042 0.000 2.309 86 L HA 0.343 4.685 4.340 0.004 0.000 0.282 86 L C 1.390 178.246 176.870 -0.024 0.000 1.036 86 L CA -0.574 54.245 54.840 -0.035 0.000 0.806 86 L CB 1.755 43.799 42.059 -0.025 0.000 1.220 86 L HN 0.429 nan 8.230 nan 0.000 0.429 87 A N 3.311 126.117 122.820 -0.023 0.000 1.968 87 A HA 0.057 4.380 4.320 0.004 0.000 0.217 87 A C 0.726 178.298 177.584 -0.021 0.000 1.169 87 A CA 1.110 53.135 52.037 -0.020 0.000 0.638 87 A CB 0.043 19.029 19.000 -0.023 0.000 0.812 87 A HN 0.663 nan 8.150 nan 0.000 0.446 88 K N -0.297 120.093 120.400 -0.016 0.000 2.468 88 K HA 0.454 4.777 4.320 0.004 0.000 0.252 88 K C -3.034 173.556 176.600 -0.016 0.000 0.932 88 K CA -2.271 54.007 56.287 -0.015 0.000 0.794 88 K CB 2.015 34.509 32.500 -0.010 0.000 1.241 88 K HN -0.086 nan 8.250 nan 0.000 0.428 89 P HA -0.026 nan 4.420 nan 0.000 0.269 89 P C -0.990 176.269 177.300 -0.067 0.000 1.211 89 P CA -0.266 62.798 63.100 -0.060 0.000 0.781 89 P CB 0.511 32.155 31.700 -0.093 0.000 0.877 90 V N 1.572 121.434 119.914 -0.086 0.000 2.876 90 V HA 0.385 4.508 4.120 0.004 0.000 0.312 90 V C -0.327 175.706 176.094 -0.101 0.000 1.085 90 V CA -0.638 61.641 62.300 -0.035 0.000 0.945 90 V CB 1.679 33.521 31.823 0.032 0.000 1.017 90 V HN 0.309 nan 8.190 nan 0.000 0.428 91 F N 2.311 122.265 119.950 0.006 0.000 2.427 91 F HA 0.296 4.826 4.527 0.004 0.000 0.352 91 F C 0.921 176.728 175.800 0.012 0.000 1.100 91 F CA 0.070 58.074 58.000 0.006 0.000 1.191 91 F CB 0.380 39.381 39.000 0.001 0.000 1.128 91 F HN 0.541 nan 8.300 nan 0.000 0.533 92 H N 4.312 123.425 119.070 0.073 0.000 2.819 92 H HA 0.090 4.648 4.556 0.004 0.000 0.303 92 H C 1.008 176.331 175.328 -0.008 0.000 1.058 92 H CA -0.219 55.794 56.048 -0.057 0.000 1.471 92 H CB 1.240 30.799 29.762 -0.338 0.000 1.480 92 H HN 0.621 nan 8.280 nan 0.000 0.517 93 V N 4.610 124.306 119.914 -0.363 0.000 2.250 93 V HA -0.290 3.833 4.120 0.004 0.000 0.253 93 V C 2.332 178.324 176.094 -0.170 0.000 1.065 93 V CA 2.247 64.408 62.300 -0.232 0.000 1.039 93 V CB -0.962 30.705 31.823 -0.260 0.000 0.647 93 V HN 0.892 nan 8.190 nan 0.000 0.446 94 G N -2.322 106.294 108.800 -0.306 0.000 2.985 94 G HA2 0.077 4.039 3.960 0.004 0.000 0.209 94 G HA3 0.077 4.039 3.960 0.004 0.000 0.209 94 G C 1.066 176.001 174.900 0.058 0.000 1.165 94 G CA -0.176 44.771 45.100 -0.255 0.000 0.776 94 G HN 0.535 nan 8.290 nan 0.000 0.541 95 F N 0.092 119.979 119.950 -0.105 0.000 2.693 95 F HA 0.367 4.896 4.527 0.004 0.000 0.303 95 F C 2.055 177.891 175.800 0.060 0.000 1.097 95 F CA -0.579 57.426 58.000 0.009 0.000 1.330 95 F CB 0.293 39.342 39.000 0.080 0.000 1.067 95 F HN 0.056 nan 8.300 nan 0.000 0.565 96 I N 0.308 120.983 120.570 0.175 0.000 2.151 96 I HA -0.381 3.792 4.170 0.004 0.000 0.243 96 I C 2.695 178.858 176.117 0.076 0.000 1.080 96 I CA 1.515 62.874 61.300 0.099 0.000 1.339 96 I CB -0.304 37.687 38.000 -0.015 0.000 1.039 96 I HN 0.196 nan 8.210 nan 0.000 0.409 97 A N 0.256 123.094 122.820 0.031 0.000 1.877 97 A HA -0.240 4.083 4.320 0.004 0.000 0.216 97 A C 2.325 179.936 177.584 0.046 0.000 1.186 97 A CA 1.697 53.738 52.037 0.006 0.000 0.620 97 A CB -0.454 18.518 19.000 -0.046 0.000 0.822 97 A HN 0.313 nan 8.150 nan 0.000 0.443 98 K N -0.661 119.769 120.400 0.050 0.000 2.103 98 K HA 0.064 4.387 4.320 0.004 0.000 0.204 98 K C 1.784 178.538 176.600 0.256 0.000 1.052 98 K CA 1.095 57.459 56.287 0.129 0.000 0.945 98 K CB -0.274 32.223 32.500 -0.006 0.000 0.722 98 K HN 0.530 nan 8.250 nan 0.000 0.443 99 I N 1.390 122.106 120.570 0.243 0.000 2.286 99 I HA -0.305 3.868 4.170 0.004 0.000 0.248 99 I C 2.545 178.861 176.117 0.331 0.000 1.115 99 I CA 1.220 62.692 61.300 0.287 0.000 1.392 99 I CB -0.180 37.985 38.000 0.276 0.000 1.065 99 I HN 0.171 nan 8.210 nan 0.000 0.418 100 K N 1.573 122.124 120.400 0.253 0.000 2.062 100 K HA -0.167 4.156 4.320 0.004 0.000 0.205 100 K C 2.068 178.844 176.600 0.293 0.000 1.051 100 K CA 1.272 57.698 56.287 0.233 0.000 0.941 100 K CB 0.073 32.663 32.500 0.149 0.000 0.719 100 K HN 0.197 nan 8.250 nan 0.000 0.440 101 K N 0.335 120.914 120.400 0.297 0.000 2.097 101 K HA -0.065 4.258 4.320 0.004 0.000 0.205 101 K C 1.960 178.857 176.600 0.495 0.000 1.050 101 K CA 1.193 57.712 56.287 0.387 0.000 0.938 101 K CB 0.103 32.714 32.500 0.186 0.000 0.718 101 K HN -0.007 nan 8.250 nan 0.000 0.442 102 V N 0.512 120.719 119.914 0.488 0.000 2.548 102 V HA -0.249 3.873 4.120 0.004 0.000 0.249 102 V C 2.276 178.524 176.094 0.256 0.000 1.055 102 V CA 1.264 63.813 62.300 0.415 0.000 1.065 102 V CB -0.317 31.744 31.823 0.397 0.000 0.681 102 V HN 0.423 nan 8.190 nan 0.000 0.462 103 C N 0.010 119.520 119.300 0.350 0.000 2.440 103 C HA -0.111 4.352 4.460 0.004 0.000 0.278 103 C C 2.682 177.764 174.990 0.154 0.000 1.295 103 C CA 0.909 60.078 59.018 0.252 0.000 1.738 103 C CB -0.824 27.106 27.740 0.317 0.000 1.987 103 C HN 0.609 nan 8.230 nan 0.000 0.492 104 E N -0.943 119.371 120.200 0.190 0.000 2.204 104 E HA -0.181 4.171 4.350 0.004 0.000 0.194 104 E C 1.808 178.449 176.600 0.067 0.000 0.989 104 E CA 1.101 57.572 56.400 0.118 0.000 0.824 104 E CB -0.068 29.746 29.700 0.189 0.000 0.756 104 E HN 0.647 nan 8.360 nan 0.000 0.477 105 C N 0.609 119.987 119.300 0.131 0.000 2.626 105 C HA 0.173 4.635 4.460 0.004 0.000 0.266 105 C C 0.686 175.701 174.990 0.041 0.000 1.317 105 C CA -0.428 58.643 59.018 0.088 0.000 1.716 105 C CB -0.384 27.469 27.740 0.188 0.000 1.819 105 C HN -0.001 nan 8.230 nan 0.000 0.578 106 V N -0.065 119.862 119.914 0.022 0.000 3.040 106 V HA 0.477 4.599 4.120 0.004 0.000 0.312 106 V C -0.103 175.988 176.094 -0.005 0.000 1.115 106 V CA -0.890 61.399 62.300 -0.019 0.000 0.998 106 V CB 1.511 33.275 31.823 -0.099 0.000 1.042 106 V HN 0.424 nan 8.190 nan 0.000 0.433 107 C N 3.530 122.830 119.300 -0.000 0.000 2.366 107 C HA 0.791 5.254 4.460 0.004 0.000 0.345 107 C C 0.255 175.256 174.990 0.018 0.000 1.209 107 C CA -0.875 58.163 59.018 0.034 0.000 2.050 107 C CB 0.512 28.287 27.740 0.059 0.000 2.359 107 C HN 0.769 nan 8.230 nan 0.000 0.527 108 M N 2.792 122.399 119.600 0.012 0.000 2.055 108 M HA 0.311 4.794 4.480 0.004 0.000 0.279 108 M C 1.426 177.655 176.300 -0.119 0.000 1.236 108 M CA 0.467 55.663 55.300 -0.173 0.000 1.074 108 M CB -0.676 31.653 32.600 -0.452 0.000 1.394 108 M HN 1.033 nan 8.290 nan 0.000 0.492 109 H N -1.258 117.841 119.070 0.049 0.000 4.829 109 H HA -0.207 4.352 4.556 0.004 0.000 0.080 109 H C 1.362 176.664 175.328 -0.044 0.000 0.582 109 H CA 2.138 58.191 56.048 0.008 0.000 1.075 109 H CB -1.447 28.328 29.762 0.021 0.000 0.466 109 H HN 0.873 nan 8.280 nan 0.000 0.746 110 C N 0.596 119.939 119.300 0.071 0.000 3.449 110 C HA 0.689 5.152 4.460 0.004 0.000 0.404 110 C C 1.475 176.450 174.990 -0.025 0.000 1.383 110 C CA 1.026 60.041 59.018 -0.005 0.000 1.936 110 C CB 0.383 28.131 27.740 0.014 0.000 2.738 110 C HN 1.333 nan 8.230 nan 0.000 0.663 111 G N 1.975 110.767 108.800 -0.014 0.000 2.487 111 G HA2 -0.103 3.860 3.960 0.004 0.000 0.243 111 G HA3 -0.103 3.860 3.960 0.004 0.000 0.243 111 G C -0.647 174.224 174.900 -0.048 0.000 0.918 111 G CA 0.740 45.819 45.100 -0.035 0.000 1.260 111 G HN 1.046 nan 8.290 nan 0.000 0.408 112 K N 1.197 121.572 120.400 -0.042 0.000 2.556 112 K HA 0.567 4.889 4.320 0.004 0.000 0.274 112 K C 0.588 177.171 176.600 -0.030 0.000 0.966 112 K CA -1.326 54.938 56.287 -0.040 0.000 0.865 112 K CB 1.196 33.684 32.500 -0.021 0.000 1.444 112 K HN 0.327 nan 8.250 nan 0.000 0.433 113 L N 4.220 125.428 121.223 -0.026 0.000 2.525 113 L HA -0.009 4.333 4.340 0.004 0.000 0.278 113 L C 1.524 178.391 176.870 -0.005 0.000 1.218 113 L CA -0.008 54.826 54.840 -0.009 0.000 0.878 113 L CB 0.093 42.149 42.059 -0.006 0.000 1.127 113 L HN 0.661 nan 8.230 nan 0.000 0.492 114 L N 3.577 124.797 121.223 -0.004 0.000 2.291 114 L HA 0.018 4.360 4.340 0.004 0.000 0.214 114 L C 0.352 177.219 176.870 -0.004 0.000 1.120 114 L CA 0.934 55.771 54.840 -0.005 0.000 0.799 114 L CB -0.076 41.973 42.059 -0.017 0.000 0.925 114 L HN 0.500 nan 8.230 nan 0.000 0.446 115 L N -0.436 120.782 121.223 -0.008 0.000 2.406 115 L HA 0.334 4.677 4.340 0.004 0.000 0.270 115 L C -0.826 176.031 176.870 -0.022 0.000 0.982 115 L CA -0.679 54.156 54.840 -0.008 0.000 0.843 115 L CB 1.992 44.041 42.059 -0.016 0.000 1.225 115 L HN -0.156 nan 8.230 nan 0.000 0.412 116 D N 0.993 121.376 120.400 -0.029 0.000 2.414 116 D HA 0.085 4.728 4.640 0.004 0.000 0.259 116 D C 0.910 177.118 176.300 -0.154 0.000 1.269 116 D CA -0.156 53.774 54.000 -0.117 0.000 1.028 116 D CB 0.917 41.602 40.800 -0.192 0.000 1.093 116 D HN 0.451 nan 8.370 nan 0.000 0.545 117 E N -0.828 119.204 120.200 -0.280 0.000 2.418 117 E HA -0.096 4.256 4.350 0.004 0.000 0.197 117 E C 1.486 177.998 176.600 -0.147 0.000 1.026 117 E CA 0.646 56.928 56.400 -0.197 0.000 0.862 117 E CB -0.078 29.509 29.700 -0.188 0.000 0.799 117 E HN 0.356 nan 8.360 nan 0.000 0.518 118 H N 0.086 119.156 119.070 -0.001 0.000 2.456 118 H HA -0.027 4.532 4.556 0.004 0.000 0.296 118 H C 0.790 176.116 175.328 -0.003 0.000 1.079 118 H CA 0.799 56.845 56.048 -0.002 0.000 1.322 118 H CB -0.283 29.477 29.762 -0.003 0.000 1.388 118 H HN 0.072 nan 8.280 nan 0.000 0.538 119 N N 1.679 120.424 118.700 0.075 0.000 2.458 119 N HA -0.061 4.682 4.740 0.004 0.000 0.270 119 N C 1.031 176.550 175.510 0.015 0.000 1.102 119 N CA 0.140 53.212 53.050 0.036 0.000 0.967 119 N CB 1.206 39.703 38.487 0.016 0.000 1.078 119 N HN 0.215 nan 8.380 nan 0.000 0.471 120 E N 3.166 123.375 120.200 0.016 0.000 2.122 120 E HA -0.004 4.349 4.350 0.004 0.000 0.190 120 E C 1.295 177.897 176.600 0.003 0.000 0.977 120 E CA 0.484 56.890 56.400 0.010 0.000 0.820 120 E CB 0.186 29.894 29.700 0.013 0.000 0.770 120 E HN 0.667 nan 8.360 nan 0.000 0.462 121 L N 0.300 121.523 121.223 -0.000 0.000 2.265 121 L HA -0.136 4.207 4.340 0.004 0.000 0.215 121 L C 2.531 179.397 176.870 -0.006 0.000 1.117 121 L CA 0.540 55.378 54.840 -0.004 0.000 0.782 121 L CB -0.317 41.736 42.059 -0.009 0.000 0.914 121 L HN 0.191 nan 8.230 nan 0.000 0.441 122 M N -0.238 119.358 119.600 -0.008 0.000 2.349 122 M HA -0.049 4.434 4.480 0.004 0.000 0.266 122 M C 2.309 178.606 176.300 -0.005 0.000 1.076 122 M CA 1.469 56.763 55.300 -0.009 0.000 1.126 122 M CB -0.141 32.450 32.600 -0.015 0.000 1.392 122 M HN -0.012 nan 8.290 nan 0.000 0.440 123 R N -0.559 119.937 120.500 -0.006 0.000 2.073 123 R HA -0.152 4.190 4.340 0.004 0.000 0.234 123 R C 2.255 178.557 176.300 0.004 0.000 1.134 123 R CA 1.844 57.941 56.100 -0.004 0.000 0.952 123 R CB -0.653 29.644 30.300 -0.005 0.000 0.850 123 R HN 0.540 nan 8.270 nan 0.000 0.433 124 Q N 0.083 119.886 119.800 0.005 0.000 2.152 124 Q HA -0.177 4.166 4.340 0.004 0.000 0.206 124 Q C 2.189 178.197 176.000 0.014 0.000 0.985 124 Q CA 1.728 57.536 55.803 0.009 0.000 0.863 124 Q CB -0.132 28.611 28.738 0.008 0.000 0.904 124 Q HN 0.395 nan 8.270 nan 0.000 0.422 125 A N 0.569 123.397 122.820 0.013 0.000 1.873 125 A HA -0.122 4.201 4.320 0.004 0.000 0.215 125 A C 1.941 179.543 177.584 0.030 0.000 1.186 125 A CA 0.856 52.905 52.037 0.020 0.000 0.616 125 A CB -0.578 18.431 19.000 0.015 0.000 0.823 125 A HN 0.336 nan 8.150 nan 0.000 0.442 126 L N -0.755 120.483 121.223 0.024 0.000 2.549 126 L HA -0.077 4.266 4.340 0.004 0.000 0.229 126 L C 2.614 179.501 176.870 0.028 0.000 1.158 126 L CA 0.561 55.419 54.840 0.029 0.000 0.842 126 L CB -0.116 41.953 42.059 0.017 0.000 0.952 126 L HN 0.462 nan 8.230 nan 0.000 0.452 127 A N -0.347 122.487 122.820 0.023 0.000 2.030 127 A HA 0.124 4.446 4.320 0.004 0.000 0.215 127 A C 1.133 178.733 177.584 0.026 0.000 1.164 127 A CA -0.156 51.894 52.037 0.022 0.000 0.697 127 A CB -0.224 18.787 19.000 0.017 0.000 0.827 127 A HN 0.249 nan 8.150 nan 0.000 0.457 128 I N 1.134 121.722 120.570 0.030 0.000 2.828 128 I HA -0.112 4.061 4.170 0.004 0.000 0.292 128 I C 0.468 176.606 176.117 0.035 0.000 1.206 128 I CA 0.518 61.838 61.300 0.033 0.000 1.420 128 I CB 0.416 38.438 38.000 0.038 0.000 1.368 128 I HN 0.191 nan 8.210 nan 0.000 0.556 129 K N 4.513 124.931 120.400 0.030 0.000 3.100 129 K HA 0.117 4.440 4.320 0.004 0.000 0.256 129 K C -0.564 176.053 176.600 0.028 0.000 1.146 129 K CA -0.024 56.281 56.287 0.029 0.000 1.233 129 K CB -0.232 32.283 32.500 0.026 0.000 1.226 129 K HN 0.471 nan 8.250 nan 0.000 0.442 130 D N -0.383 120.036 120.400 0.032 0.000 2.736 130 D HA 0.029 4.671 4.640 0.004 0.000 0.243 130 D C 0.836 177.156 176.300 0.033 0.000 1.304 130 D CA -0.444 53.572 54.000 0.026 0.000 0.934 130 D CB 1.389 42.203 40.800 0.023 0.000 1.382 130 D HN 0.029 nan 8.370 nan 0.000 0.571 131 S N 3.267 118.978 115.700 0.018 0.000 2.440 131 S HA -0.177 4.296 4.470 0.004 0.000 0.238 131 S C 1.540 176.149 174.600 0.015 0.000 1.010 131 S CA 0.729 58.935 58.200 0.010 0.000 0.972 131 S CB 0.013 63.190 63.200 -0.039 0.000 0.774 131 S HN 0.464 nan 8.310 nan 0.000 0.501 132 K N 1.438 121.843 120.400 0.009 0.000 1.975 132 K HA 0.073 4.395 4.320 0.004 0.000 0.210 132 K C 2.295 178.947 176.600 0.087 0.000 1.041 132 K CA 1.264 57.566 56.287 0.026 0.000 0.942 132 K CB -0.178 32.320 32.500 -0.004 0.000 0.729 132 K HN 0.288 nan 8.250 nan 0.000 0.439 133 K N 0.625 121.061 120.400 0.061 0.000 2.283 133 K HA -0.088 4.235 4.320 0.004 0.000 0.202 133 K C 2.180 178.827 176.600 0.078 0.000 1.048 133 K CA 0.584 56.908 56.287 0.062 0.000 0.948 133 K CB 0.029 32.554 32.500 0.042 0.000 0.742 133 K HN 0.104 nan 8.250 nan 0.000 0.458 134 R N 0.507 121.063 120.500 0.094 0.000 2.070 134 R HA -0.133 4.210 4.340 0.004 0.000 0.232 134 R C 2.070 178.458 176.300 0.148 0.000 1.138 134 R CA 1.545 57.708 56.100 0.104 0.000 0.936 134 R CB -0.350 30.013 30.300 0.105 0.000 0.839 134 R HN 0.160 nan 8.270 nan 0.000 0.429 135 F N 1.149 121.125 119.950 0.044 0.000 2.494 135 F HA -0.083 4.446 4.527 0.004 0.000 0.298 135 F C 1.725 177.588 175.800 0.106 0.000 1.106 135 F CA 0.947 58.992 58.000 0.075 0.000 1.452 135 F CB -0.052 38.969 39.000 0.035 0.000 1.085 135 F HN 0.106 nan 8.300 nan 0.000 0.569 136 A N 0.220 123.064 122.820 0.040 0.000 1.878 136 A HA 0.159 4.481 4.320 0.004 0.000 0.213 136 A C 2.378 179.980 177.584 0.030 0.000 1.192 136 A CA 1.058 53.093 52.037 -0.003 0.000 0.619 136 A CB -1.368 17.660 19.000 0.047 0.000 0.837 136 A HN 0.384 nan 8.150 nan 0.000 0.446 137 A N -0.285 122.555 122.820 0.033 0.000 2.014 137 A HA 0.056 4.378 4.320 0.004 0.000 0.218 137 A C 2.038 179.625 177.584 0.003 0.000 1.163 137 A CA 1.195 53.249 52.037 0.027 0.000 0.652 137 A CB -0.559 18.456 19.000 0.026 0.000 0.808 137 A HN 0.471 nan 8.150 nan 0.000 0.449 138 I N -2.472 118.094 120.570 -0.007 0.000 2.252 138 I HA -0.252 3.920 4.170 0.004 0.000 0.245 138 I C 2.342 178.422 176.117 -0.061 0.000 1.102 138 I CA 1.431 62.717 61.300 -0.024 0.000 1.385 138 I CB -0.220 37.790 38.000 0.016 0.000 1.064 138 I HN 0.718 nan 8.210 nan 0.000 0.414 139 W N 1.515 122.622 121.300 -0.322 0.000 2.467 139 W HA -0.150 4.513 4.660 0.005 0.000 0.275 139 W C 2.296 178.712 176.519 -0.172 0.000 1.239 139 W CA 1.476 58.630 57.345 -0.318 0.000 1.266 139 W CB -0.194 28.966 29.460 -0.500 0.000 1.112 139 W HN -0.052 nan 8.180 nan 0.000 0.576 140 T N 0.852 115.350 114.554 -0.094 0.000 2.995 140 T HA -0.088 4.265 4.350 0.004 0.000 0.269 140 T C 1.767 176.313 174.700 -0.257 0.000 1.091 140 T CA 1.171 63.142 62.100 -0.216 0.000 1.128 140 T CB -0.164 68.694 68.868 -0.017 0.000 0.891 140 T HN 0.158 nan 8.240 nan 0.000 0.492 141 L N -0.163 120.944 121.223 -0.194 0.000 2.298 141 L HA 0.124 4.467 4.340 0.004 0.000 0.209 141 L C 1.808 178.564 176.870 -0.190 0.000 1.084 141 L CA 0.500 55.247 54.840 -0.155 0.000 0.816 141 L CB 0.034 42.041 42.059 -0.088 0.000 0.967 141 L HN 0.281 nan 8.230 nan 0.000 0.460 142 C N -0.026 119.131 119.300 -0.238 0.000 2.697 142 C HA 0.011 4.474 4.460 0.004 0.000 0.267 142 C C 2.319 177.121 174.990 -0.314 0.000 1.278 142 C CA -0.116 58.775 59.018 -0.213 0.000 1.708 142 C CB -1.055 26.606 27.740 -0.133 0.000 1.860 142 C HN 0.474 nan 8.230 nan 0.000 0.589 143 K N 0.478 120.575 120.400 -0.504 0.000 2.365 143 K HA 0.010 4.333 4.320 0.004 0.000 0.197 143 K C 1.350 177.762 176.600 -0.314 0.000 1.042 143 K CA 1.237 57.193 56.287 -0.551 0.000 0.987 143 K CB -0.406 31.520 32.500 -0.958 0.000 0.779 143 K HN 0.277 nan 8.250 nan 0.000 0.484 144 T N 0.738 115.144 114.554 -0.246 0.000 2.852 144 T HA 0.036 4.389 4.350 0.004 0.000 0.256 144 T C 0.476 175.105 174.700 -0.118 0.000 1.038 144 T CA 0.423 62.427 62.100 -0.160 0.000 1.141 144 T CB 0.076 68.865 68.868 -0.131 0.000 0.869 144 T HN 0.031 nan 8.240 nan 0.000 0.439 145 K N 1.609 121.943 120.400 -0.110 0.000 2.485 145 K HA 0.219 4.542 4.320 0.004 0.000 0.277 145 K C 0.162 176.723 176.600 -0.066 0.000 0.990 145 K CA 0.552 56.795 56.287 -0.073 0.000 0.994 145 K CB 0.373 32.838 32.500 -0.059 0.000 0.906 145 K HN 0.329 nan 8.250 nan 0.000 0.488 146 M N 1.221 120.796 119.600 -0.042 0.000 3.056 146 M HA 0.118 4.601 4.480 0.004 0.000 0.457 146 M C -1.145 175.155 176.300 0.000 0.000 1.407 146 M CA -0.168 55.110 55.300 -0.037 0.000 0.797 146 M CB 1.083 33.655 32.600 -0.047 0.000 1.522 146 M HN 0.024 nan 8.290 nan 0.000 0.531 147 V N -0.221 119.699 119.914 0.010 0.000 2.777 147 V HA 0.255 4.377 4.120 0.004 0.000 0.306 147 V C -0.712 175.403 176.094 0.034 0.000 1.112 147 V CA -1.342 60.977 62.300 0.032 0.000 0.917 147 V CB 2.153 33.991 31.823 0.024 0.000 1.018 147 V HN 0.355 nan 8.190 nan 0.000 0.426 148 C N 4.556 123.889 119.300 0.054 0.000 2.520 148 C HA 0.302 4.765 4.460 0.004 0.000 0.369 148 C C 0.792 175.803 174.990 0.034 0.000 1.244 148 C CA -0.201 58.846 59.018 0.050 0.000 1.677 148 C CB -1.343 26.442 27.740 0.074 0.000 2.324 148 C HN 0.936 nan 8.230 nan 0.000 0.557 149 E N 4.476 124.692 120.200 0.026 0.000 2.217 149 E HA 0.083 4.435 4.350 0.004 0.000 0.279 149 E C 1.084 177.696 176.600 0.020 0.000 1.068 149 E CA -0.026 56.386 56.400 0.021 0.000 0.882 149 E CB 1.005 30.716 29.700 0.020 0.000 1.039 149 E HN 0.742 nan 8.360 nan 0.000 0.418 150 T N 2.285 116.846 114.554 0.012 0.000 2.698 150 T HA -0.078 4.274 4.350 0.004 0.000 0.260 150 T C 0.262 174.962 174.700 0.001 0.000 1.044 150 T CA 0.859 62.964 62.100 0.007 0.000 1.149 150 T CB 0.106 68.974 68.868 0.001 0.000 0.864 150 T HN 0.416 nan 8.240 nan 0.000 0.419 151 D N 0.777 121.174 120.400 -0.005 0.000 2.505 151 D HA 0.585 5.228 4.640 0.004 0.000 0.249 151 D C -1.056 175.232 176.300 -0.019 0.000 1.082 151 D CA -0.335 53.654 54.000 -0.018 0.000 0.839 151 D CB 2.654 43.441 40.800 -0.022 0.000 1.317 151 D HN 0.019 nan 8.370 nan 0.000 0.497 152 V N 2.204 122.095 119.914 -0.038 0.000 2.735 152 V HA 0.351 4.474 4.120 0.004 0.000 0.310 152 V C -2.361 173.698 176.094 -0.059 0.000 1.061 152 V CA -2.097 60.186 62.300 -0.030 0.000 0.913 152 V CB 2.225 34.053 31.823 0.010 0.000 1.005 152 V HN 0.327 nan 8.190 nan 0.000 0.428 153 P HA 0.011 nan 4.420 nan 0.000 0.261 153 P C 0.201 177.472 177.300 -0.048 0.000 1.165 153 P CA 0.610 63.691 63.100 -0.031 0.000 0.759 153 P CB 0.378 32.072 31.700 -0.009 0.000 0.772 154 S N 2.670 118.334 115.700 -0.059 0.000 2.397 154 S HA 0.199 4.672 4.470 0.004 0.000 0.261 154 S C 0.744 175.334 174.600 -0.017 0.000 1.187 154 S CA -0.263 57.892 58.200 -0.075 0.000 1.023 154 S CB 0.202 63.356 63.200 -0.076 0.000 1.103 154 S HN 0.436 nan 8.310 nan 0.000 0.474 155 E N 0.210 120.406 120.200 -0.006 0.000 2.501 155 E HA 0.214 4.567 4.350 0.004 0.000 0.201 155 E C -0.031 176.573 176.600 0.007 0.000 1.016 155 E CA -0.062 56.348 56.400 0.017 0.000 0.920 155 E CB 0.221 29.941 29.700 0.033 0.000 1.023 155 E HN 0.474 nan 8.360 nan 0.000 0.474 156 D N 0.424 120.822 120.400 -0.003 0.000 3.136 156 D HA 0.087 4.730 4.640 0.004 0.000 0.254 156 D C 0.044 176.342 176.300 -0.004 0.000 1.563 156 D CA 0.385 54.383 54.000 -0.003 0.000 1.225 156 D CB 0.538 41.334 40.800 -0.007 0.000 1.079 156 D HN -0.031 nan 8.370 nan 0.000 0.314 157 D N 0.678 121.072 120.400 -0.009 0.000 2.575 157 D HA 0.323 4.966 4.640 0.004 0.000 0.236 157 D C -2.348 173.946 176.300 -0.010 0.000 1.075 157 D CA -1.389 52.607 54.000 -0.008 0.000 0.860 157 D CB 2.547 43.343 40.800 -0.008 0.000 1.475 157 D HN -0.143 nan 8.370 nan 0.000 0.474 158 P HA 0.236 nan 4.420 nan 0.000 0.228 158 P C 0.117 177.412 177.300 -0.009 0.000 1.764 158 P CA 0.080 63.175 63.100 -0.008 0.000 0.929 158 P CB 0.232 31.929 31.700 -0.005 0.000 1.675 159 T N -2.949 111.598 114.554 -0.011 0.000 3.131 159 T HA 0.134 4.487 4.350 0.004 0.000 0.283 159 T C 0.311 175.002 174.700 -0.014 0.000 0.906 159 T CA -0.026 62.068 62.100 -0.011 0.000 0.882 159 T CB 0.441 69.304 68.868 -0.009 0.000 1.208 159 T HN 0.122 nan 8.240 nan 0.000 0.561 160 Q N 1.144 120.933 119.800 -0.018 0.000 2.377 160 Q HA 0.783 5.126 4.340 0.004 0.000 0.271 160 Q C -1.437 174.543 176.000 -0.033 0.000 1.077 160 Q CA -0.723 55.065 55.803 -0.024 0.000 0.820 160 Q CB 2.618 31.343 28.738 -0.023 0.000 1.347 160 Q HN 0.241 nan 8.270 nan 0.000 0.444 161 L N 0.732 121.931 121.223 -0.041 0.000 2.401 161 L HA 0.659 5.001 4.340 0.004 0.000 0.266 161 L C -0.809 176.014 176.870 -0.079 0.000 0.991 161 L CA -1.173 53.632 54.840 -0.058 0.000 0.818 161 L CB 1.889 43.921 42.059 -0.044 0.000 1.321 161 L HN 0.282 nan 8.230 nan 0.000 0.413 162 V N 1.022 120.858 119.914 -0.130 0.000 2.481 162 V HA 0.433 4.556 4.120 0.004 0.000 0.286 162 V C 0.357 176.362 176.094 -0.149 0.000 1.042 162 V CA -0.426 61.776 62.300 -0.163 0.000 0.928 162 V CB 1.856 33.514 31.823 -0.275 0.000 0.986 162 V HN 0.922 nan 8.190 nan 0.000 0.462 163 S N 5.095 120.741 115.700 -0.090 0.000 2.554 163 S HA 0.663 5.135 4.470 0.004 0.000 0.278 163 S C 0.197 174.783 174.600 -0.022 0.000 1.242 163 S CA -0.596 57.575 58.200 -0.048 0.000 1.051 163 S CB 1.842 65.025 63.200 -0.028 0.000 0.986 163 S HN 0.856 nan 8.310 nan 0.000 0.502 164 R N 2.644 123.150 120.500 0.011 0.000 4.019 164 R HA 0.509 4.852 4.340 0.004 0.000 0.140 164 R C 1.048 177.368 176.300 0.032 0.000 1.486 164 R CA -0.105 56.024 56.100 0.049 0.000 1.119 164 R CB -0.626 29.743 30.300 0.115 0.000 1.357 164 R HN 0.652 nan 8.270 nan 0.000 0.449 165 G N 0.138 108.957 108.800 0.032 0.000 2.580 165 G HA2 0.468 4.431 3.960 0.004 0.000 0.278 165 G HA3 0.468 4.431 3.960 0.004 0.000 0.278 165 G C -0.001 174.907 174.900 0.013 0.000 1.212 165 G CA -0.281 44.832 45.100 0.021 0.000 0.939 165 G HN 0.391 nan 8.290 nan 0.000 0.513 166 G N -1.586 107.221 108.800 0.011 0.000 2.783 166 G HA2 0.361 4.323 3.960 0.004 0.000 0.182 166 G HA3 0.361 4.323 3.960 0.004 0.000 0.182 166 G C 0.781 175.684 174.900 0.006 0.000 1.516 166 G CA 0.321 45.424 45.100 0.005 0.000 1.079 166 G HN 1.448 nan 8.290 nan 0.000 0.573 167 C N -0.288 119.010 119.300 -0.003 0.000 2.563 167 C HA 0.543 5.006 4.460 0.004 0.000 0.411 167 C C 1.156 176.146 174.990 0.000 0.000 1.386 167 C CA -0.567 58.443 59.018 -0.014 0.000 1.703 167 C CB -0.412 27.303 27.740 -0.043 0.000 2.596 167 C HN 0.805 nan 8.230 nan 0.000 0.605 168 G N 4.829 113.630 108.800 0.001 0.000 3.444 168 G HA2 0.334 4.296 3.960 0.004 0.000 0.315 168 G HA3 0.334 4.296 3.960 0.004 0.000 0.315 168 G C -0.154 174.764 174.900 0.029 0.000 1.079 168 G CA -0.342 44.772 45.100 0.023 0.000 1.500 168 G HN 0.855 nan 8.290 nan 0.000 0.518 169 N N 0.797 119.519 118.700 0.038 0.000 2.482 169 N HA 0.235 4.978 4.740 0.004 0.000 0.260 169 N C 0.794 176.397 175.510 0.156 0.000 1.236 169 N CA 0.060 53.151 53.050 0.069 0.000 0.938 169 N CB 0.773 39.274 38.487 0.023 0.000 1.128 169 N HN 0.235 nan 8.380 nan 0.000 0.448 170 T N 1.246 115.920 114.554 0.199 0.000 2.898 170 T HA 0.170 4.522 4.350 0.004 0.000 0.301 170 T C 0.365 175.230 174.700 0.275 0.000 1.049 170 T CA -0.253 61.973 62.100 0.210 0.000 1.095 170 T CB 0.471 69.469 68.868 0.218 0.000 0.976 170 T HN 0.285 nan 8.240 nan 0.000 0.539 171 Q N 1.805 121.653 119.800 0.080 0.000 2.345 171 Q HA 0.439 4.781 4.340 0.004 0.000 0.268 171 Q C -2.409 173.391 176.000 -0.332 0.000 1.054 171 Q CA -2.158 53.601 55.803 -0.073 0.000 0.835 171 Q CB 1.846 30.569 28.738 -0.024 0.000 1.339 171 Q HN 0.411 nan 8.270 nan 0.000 0.447 172 P HA 0.143 nan 4.420 nan 0.000 0.282 172 P C -0.920 176.164 177.300 -0.360 0.000 1.259 172 P CA -0.484 62.164 63.100 -0.753 0.000 0.826 172 P CB 0.887 31.806 31.700 -1.303 0.000 1.064 173 T N 2.269 116.666 114.554 -0.262 0.000 2.762 173 T HA 0.399 4.752 4.350 0.004 0.000 0.303 173 T C 0.495 175.132 174.700 -0.106 0.000 0.977 173 T CA -0.203 61.814 62.100 -0.140 0.000 0.961 173 T CB -0.578 68.235 68.868 -0.091 0.000 0.944 173 T HN 0.196 nan 8.240 nan 0.000 0.481 174 I N 5.169 125.701 120.570 -0.063 0.000 2.352 174 I HA 0.362 4.535 4.170 0.004 0.000 0.290 174 I C 0.805 176.932 176.117 0.016 0.000 1.036 174 I CA -0.639 60.649 61.300 -0.020 0.000 1.336 174 I CB 0.481 38.494 38.000 0.023 0.000 1.407 174 I HN 0.528 nan 8.210 nan 0.000 0.497 175 R N 5.401 125.906 120.500 0.008 0.000 2.832 175 R HA 0.632 4.974 4.340 0.004 0.000 0.271 175 R C -0.888 175.415 176.300 0.005 0.000 0.996 175 R CA -1.130 54.979 56.100 0.015 0.000 0.977 175 R CB 1.830 32.136 30.300 0.010 0.000 1.168 175 R HN 0.389 nan 8.270 nan 0.000 0.482 176 K N 1.085 121.484 120.400 -0.002 0.000 2.159 176 K HA 0.214 4.537 4.320 0.004 0.000 0.266 176 K C -1.521 175.061 176.600 -0.029 0.000 0.975 176 K CA -0.553 55.716 56.287 -0.030 0.000 0.865 176 K CB 1.361 33.839 32.500 -0.037 0.000 1.087 176 K HN 0.742 nan 8.250 nan 0.000 0.446 177 D N 2.487 122.860 120.400 -0.046 0.000 2.764 177 D HA 0.372 5.015 4.640 0.004 0.000 0.227 177 D C 0.212 176.486 176.300 -0.043 0.000 1.347 177 D CA 0.906 54.888 54.000 -0.030 0.000 0.953 177 D CB 1.197 41.992 40.800 -0.009 0.000 1.476 177 D HN 0.757 nan 8.370 nan 0.000 0.585 178 G N 2.851 111.631 108.800 -0.034 0.000 2.595 178 G HA2 -0.268 3.695 3.960 0.004 0.000 0.297 178 G HA3 -0.268 3.695 3.960 0.004 0.000 0.297 178 G C 0.404 175.256 174.900 -0.080 0.000 1.181 178 G CA 0.440 45.524 45.100 -0.028 0.000 0.963 178 G HN 0.713 nan 8.290 nan 0.000 0.541 179 L N 0.689 121.849 121.223 -0.105 0.000 3.358 179 L HA 0.441 4.784 4.340 0.004 0.000 0.301 179 L C 0.529 177.146 176.870 -0.423 0.000 1.276 179 L CA -0.125 54.588 54.840 -0.212 0.000 1.028 179 L CB 0.637 42.644 42.059 -0.086 0.000 1.421 179 L HN 0.318 nan 8.230 nan 0.000 0.604 180 K N 0.499 120.707 120.400 -0.320 0.000 2.378 180 K HA 0.752 5.074 4.320 0.004 0.000 0.244 180 K C -1.097 175.362 176.600 -0.235 0.000 1.039 180 K CA -0.836 55.268 56.287 -0.305 0.000 0.863 180 K CB 2.678 35.155 32.500 -0.037 0.000 1.326 180 K HN -0.104 nan 8.250 nan 0.000 0.460 181 L N 1.698 122.869 121.223 -0.087 0.000 2.349 181 L HA 0.447 4.789 4.340 0.004 0.000 0.278 181 L C -0.908 175.992 176.870 0.051 0.000 0.996 181 L CA -1.066 53.769 54.840 -0.009 0.000 0.825 181 L CB 1.779 43.875 42.059 0.062 0.000 1.243 181 L HN 0.255 nan 8.230 nan 0.000 0.412 182 V N 1.842 121.774 119.914 0.031 0.000 2.612 182 V HA 0.859 4.982 4.120 0.004 0.000 0.301 182 V C 0.507 176.610 176.094 0.014 0.000 1.046 182 V CA -0.377 61.952 62.300 0.047 0.000 0.946 182 V CB 1.682 33.530 31.823 0.041 0.000 1.003 182 V HN 0.873 nan 8.190 nan 0.000 0.459 183 G N 1.538 110.345 108.800 0.011 0.000 2.694 183 G HA2 0.682 4.644 3.960 0.004 0.000 0.290 183 G HA3 0.682 4.644 3.960 0.004 0.000 0.290 183 G C -0.970 173.889 174.900 -0.068 0.000 1.386 183 G CA -0.342 44.685 45.100 -0.121 0.000 0.872 183 G HN 0.961 nan 8.290 nan 0.000 0.475 184 S N -0.206 115.394 115.700 -0.167 0.000 2.721 184 S HA 0.391 4.864 4.470 0.004 0.000 0.264 184 S C -0.783 173.792 174.600 -0.041 0.000 1.161 184 S CA -0.813 57.386 58.200 -0.002 0.000 1.113 184 S CB 0.621 63.830 63.200 0.015 0.000 1.079 184 S HN 0.572 nan 8.310 nan 0.000 0.479 185 W N 2.457 123.780 121.300 0.038 0.000 2.190 185 W HA 0.337 4.999 4.660 0.004 0.000 0.330 185 W C 0.784 177.318 176.519 0.026 0.000 1.299 185 W CA -0.338 57.029 57.345 0.036 0.000 1.215 185 W CB 0.940 30.425 29.460 0.043 0.000 1.147 185 W HN 0.549 nan 8.180 nan 0.000 0.563 196 E N 1.280 121.505 120.200 0.042 0.000 7.553 196 E HA -0.115 4.238 4.350 0.004 0.000 0.436 196 E C -2.517 174.123 176.600 0.066 0.000 0.418 196 E CA -0.183 56.244 56.400 0.045 0.000 0.779 196 E CB 0.318 30.039 29.700 0.035 0.000 0.959 196 E HN 0.073 nan 8.360 nan 0.000 0.263 197 P HA -0.005 nan 4.420 nan 0.000 0.267 197 P C -0.691 176.688 177.300 0.132 0.000 1.205 197 P CA 0.607 63.773 63.100 0.109 0.000 0.765 197 P CB 0.394 32.145 31.700 0.085 0.000 0.828 198 E N 3.007 123.331 120.200 0.206 0.000 1.932 198 E HA 0.177 4.529 4.350 0.004 0.000 0.275 198 E C -0.248 176.521 176.600 0.281 0.000 1.159 198 E CA -0.373 56.147 56.400 0.199 0.000 0.905 198 E CB 0.105 29.901 29.700 0.159 0.000 1.059 198 E HN 0.421 nan 8.360 nan 0.000 0.400 199 L N 5.371 126.700 121.223 0.177 0.000 2.295 199 L HA 0.340 4.683 4.340 0.004 0.000 0.288 199 L C 0.369 177.342 176.870 0.171 0.000 1.079 199 L CA -0.068 54.876 54.840 0.173 0.000 0.830 199 L CB -0.004 42.118 42.059 0.105 0.000 1.200 199 L HN 0.407 nan 8.230 nan 0.000 0.438 200 R N 2.085 122.734 120.500 0.248 0.000 2.707 200 R HA 0.742 5.085 4.340 0.004 0.000 0.272 200 R C -1.642 174.797 176.300 0.233 0.000 1.011 200 R CA -0.959 55.267 56.100 0.211 0.000 0.893 200 R CB 1.461 31.869 30.300 0.180 0.000 1.233 200 R HN 0.131 nan 8.270 nan 0.000 0.464 201 V N 2.745 122.766 119.914 0.179 0.000 2.686 201 V HA 0.289 4.411 4.120 0.004 0.000 0.295 201 V C 0.293 176.507 176.094 0.199 0.000 1.057 201 V CA -0.799 61.601 62.300 0.167 0.000 1.012 201 V CB 1.233 33.136 31.823 0.134 0.000 1.006 201 V HN 0.554 nan 8.190 nan 0.000 0.477 202 L N 4.219 125.564 121.223 0.204 0.000 2.281 202 L HA 0.340 4.683 4.340 0.004 0.000 0.285 202 L C 0.739 177.745 176.870 0.226 0.000 1.074 202 L CA 0.212 55.189 54.840 0.227 0.000 0.817 202 L CB 1.394 43.594 42.059 0.236 0.000 1.168 202 L HN 0.885 nan 8.230 nan 0.000 0.434 203 S N 0.542 116.349 115.700 0.178 0.000 2.584 203 S HA 0.165 4.638 4.470 0.004 0.000 0.273 203 S C 1.086 175.736 174.600 0.083 0.000 1.311 203 S CA -0.515 57.769 58.200 0.140 0.000 1.034 203 S CB 1.375 64.635 63.200 0.100 0.000 0.939 203 S HN 0.672 nan 8.310 nan 0.000 0.513 204 T N 2.036 116.605 114.554 0.025 0.000 2.962 204 T HA -0.069 4.284 4.350 0.004 0.000 0.270 204 T C 1.248 175.876 174.700 -0.120 0.000 1.088 204 T CA 1.554 63.544 62.100 -0.183 0.000 1.127 204 T CB -0.419 68.313 68.868 -0.226 0.000 0.883 204 T HN 0.811 nan 8.240 nan 0.000 0.493 205 E N 1.151 121.331 120.200 -0.033 0.000 2.152 205 E HA -0.048 4.304 4.350 0.004 0.000 0.192 205 E C 2.215 178.824 176.600 0.015 0.000 0.983 205 E CA 0.770 57.163 56.400 -0.011 0.000 0.818 205 E CB -0.003 29.702 29.700 0.008 0.000 0.758 205 E HN 0.576 nan 8.360 nan 0.000 0.467 206 E N 0.324 120.547 120.200 0.037 0.000 2.140 206 E HA -0.076 4.277 4.350 0.004 0.000 0.191 206 E C 1.878 178.531 176.600 0.088 0.000 0.973 206 E CA 0.190 56.632 56.400 0.070 0.000 0.829 206 E CB 0.257 30.011 29.700 0.089 0.000 0.781 206 E HN 0.092 nan 8.360 nan 0.000 0.466 207 I N 1.559 122.164 120.570 0.058 0.000 2.208 207 I HA -0.266 3.906 4.170 0.004 0.000 0.245 207 I C 2.499 178.675 176.117 0.098 0.000 1.097 207 I CA 1.093 62.439 61.300 0.076 0.000 1.363 207 I CB -0.900 37.035 38.000 -0.109 0.000 1.051 207 I HN 0.303 nan 8.210 nan 0.000 0.413 208 L N 0.832 122.043 121.223 -0.020 0.000 2.156 208 L HA -0.171 4.172 4.340 0.004 0.000 0.208 208 L C 2.332 179.271 176.870 0.116 0.000 1.095 208 L CA 1.327 56.178 54.840 0.020 0.000 0.770 208 L CB -0.477 41.559 42.059 -0.038 0.000 0.914 208 L HN 0.271 nan 8.230 nan 0.000 0.439 209 N N 0.355 119.122 118.700 0.111 0.000 2.381 209 N HA -0.176 4.566 4.740 0.004 0.000 0.182 209 N C 1.670 177.306 175.510 0.210 0.000 1.025 209 N CA 1.481 54.616 53.050 0.142 0.000 0.888 209 N CB 0.011 38.575 38.487 0.129 0.000 0.965 209 N HN 0.498 nan 8.380 nan 0.000 0.438 210 I N -1.032 119.669 120.570 0.218 0.000 3.035 210 I HA -0.040 4.133 4.170 0.004 0.000 0.271 210 I C 1.166 177.381 176.117 0.163 0.000 1.190 210 I CA 0.227 61.642 61.300 0.192 0.000 1.472 210 I CB -0.143 37.957 38.000 0.165 0.000 1.116 210 I HN -0.092 nan 8.210 nan 0.000 0.443 211 F N 1.423 121.386 119.950 0.022 0.000 2.512 211 F HA 0.043 4.572 4.527 0.004 0.000 0.296 211 F C 2.318 178.115 175.800 -0.004 0.000 1.110 211 F CA 0.924 58.923 58.000 -0.003 0.000 1.446 211 F CB -0.248 38.724 39.000 -0.045 0.000 1.092 211 F HN -0.155 nan 8.300 nan 0.000 0.554 212 K N -0.924 119.550 120.400 0.124 0.000 2.155 212 K HA -0.093 4.230 4.320 0.004 0.000 0.203 212 K C 0.942 177.473 176.600 -0.115 0.000 1.052 212 K CA 0.877 57.152 56.287 -0.020 0.000 0.948 212 K CB -0.159 32.274 32.500 -0.111 0.000 0.728 212 K HN 0.229 nan 8.250 nan 0.000 0.448 213 H N 0.191 119.261 119.070 -0.000 0.000 2.610 213 H HA 0.196 4.755 4.556 0.004 0.000 0.302 213 H C -0.263 174.996 175.328 -0.116 0.000 1.063 213 H CA 0.186 56.205 56.048 -0.049 0.000 1.159 213 H CB -0.301 29.448 29.762 -0.021 0.000 1.427 213 H HN 0.061 nan 8.280 nan 0.000 0.553 214 I N 0.704 121.218 120.570 -0.094 0.000 2.336 214 I HA 0.054 4.227 4.170 0.004 0.000 0.292 214 I C 0.938 176.777 176.117 -0.463 0.000 0.991 214 I CA -0.443 60.723 61.300 -0.222 0.000 1.227 214 I CB 1.536 39.403 38.000 -0.223 0.000 1.366 214 I HN -0.018 nan 8.210 nan 0.000 0.466 215 S N 3.527 119.015 115.700 -0.354 0.000 2.559 215 S HA 0.024 4.497 4.470 0.004 0.000 0.282 215 S C 1.397 175.617 174.600 -0.633 0.000 1.336 215 S CA -0.525 57.452 58.200 -0.372 0.000 1.037 215 S CB 0.873 63.950 63.200 -0.206 0.000 0.853 215 S HN 0.419 nan 8.310 nan 0.000 0.523 216 V N 4.770 124.401 119.914 -0.473 0.000 2.490 216 V HA -0.133 3.989 4.120 0.004 0.000 0.250 216 V C 2.109 178.064 176.094 -0.231 0.000 1.061 216 V CA 1.771 63.820 62.300 -0.418 0.000 1.064 216 V CB -0.654 31.067 31.823 -0.170 0.000 0.670 216 V HN 0.776 nan 8.190 nan 0.000 0.461 217 K N -0.296 120.004 120.400 -0.167 0.000 2.361 217 K HA -0.004 4.319 4.320 0.004 0.000 0.196 217 K C 1.185 177.753 176.600 -0.052 0.000 1.039 217 K CA 0.631 56.878 56.287 -0.067 0.000 1.001 217 K CB 0.002 32.472 32.500 -0.050 0.000 0.795 217 K HN 0.398 nan 8.250 nan 0.000 0.495 218 D N 0.167 120.481 120.400 -0.143 0.000 2.340 218 D HA 0.022 4.665 4.640 0.004 0.000 0.220 218 D C 1.086 177.398 176.300 0.020 0.000 1.039 218 D CA 0.456 54.405 54.000 -0.085 0.000 0.866 218 D CB 0.046 40.762 40.800 -0.140 0.000 0.913 218 D HN 0.129 nan 8.370 nan 0.000 0.523 219 F N 0.979 120.914 119.950 -0.025 0.000 2.044 219 F HA -0.137 4.393 4.527 0.005 0.000 0.287 219 F C 2.526 178.386 175.800 0.101 0.000 1.155 219 F CA 0.720 58.722 58.000 0.003 0.000 1.152 219 F CB -0.549 38.432 39.000 -0.030 0.000 1.013 219 F HN -0.124 nan 8.300 nan 0.000 0.478 220 T N 0.198 114.938 114.554 0.311 0.000 2.751 220 T HA -0.260 4.092 4.350 0.004 0.000 0.268 220 T C 1.952 176.748 174.700 0.160 0.000 1.045 220 T CA 1.695 63.911 62.100 0.194 0.000 1.142 220 T CB -0.732 68.213 68.868 0.128 0.000 0.851 220 T HN 0.346 nan 8.240 nan 0.000 0.474 221 S N 1.462 117.252 115.700 0.150 0.000 2.370 221 S HA -0.012 4.460 4.470 0.004 0.000 0.226 221 S C 1.008 175.726 174.600 0.197 0.000 1.033 221 S CA 0.650 58.931 58.200 0.135 0.000 1.011 221 S CB -0.711 62.549 63.200 0.101 0.000 0.852 221 S HN 0.446 nan 8.310 nan 0.000 0.457 222 L N 1.039 122.427 121.223 0.275 0.000 2.439 222 L HA 0.520 4.862 4.340 0.004 0.000 0.259 222 L C 1.162 178.151 176.870 0.197 0.000 1.129 222 L CA -0.532 54.524 54.840 0.359 0.000 0.803 222 L CB 0.090 42.462 42.059 0.521 0.000 1.161 222 L HN 0.268 nan 8.230 nan 0.000 0.462 223 G N 1.182 109.905 108.800 -0.128 0.000 2.924 223 G HA2 0.341 4.304 3.960 0.004 0.000 0.273 223 G HA3 0.341 4.304 3.960 0.004 0.000 0.273 223 G C -0.643 173.802 174.900 -0.758 0.000 0.734 223 G CA 0.114 44.982 45.100 -0.385 0.000 2.065 223 G HN 0.245 nan 8.290 nan 0.000 0.580 224 F N -0.622 119.284 119.950 -0.075 0.000 2.664 224 F HA 0.475 5.005 4.527 0.004 0.000 0.317 224 F C -0.177 175.578 175.800 -0.074 0.000 1.108 224 F CA -1.325 56.604 58.000 -0.119 0.000 0.957 224 F CB 2.296 41.154 39.000 -0.236 0.000 1.365 224 F HN 0.126 nan 8.300 nan 0.000 0.475 225 N N 0.266 119.016 118.700 0.083 0.000 2.284 225 N HA 0.182 4.924 4.740 0.004 0.000 0.300 225 N C 0.343 175.811 175.510 -0.070 0.000 1.047 225 N CA -0.415 52.658 53.050 0.039 0.000 0.821 225 N CB 1.825 40.372 38.487 0.099 0.000 1.337 225 N HN 0.753 nan 8.380 nan 0.000 0.482 226 E N 1.813 122.019 120.200 0.009 0.000 2.209 226 E HA -0.143 4.210 4.350 0.004 0.000 0.196 226 E C 0.329 176.894 176.600 -0.059 0.000 0.993 226 E CA 1.354 57.779 56.400 0.041 0.000 0.819 226 E CB 0.304 30.043 29.700 0.065 0.000 0.745 226 E HN 0.470 nan 8.360 nan 0.000 0.477 227 V N -0.842 118.968 119.914 -0.173 0.000 2.721 227 V HA -0.011 4.112 4.120 0.004 0.000 0.236 227 V C 1.748 177.814 176.094 -0.047 0.000 1.116 227 V CA 0.854 62.993 62.300 -0.268 0.000 1.148 227 V CB -0.510 30.832 31.823 -0.801 0.000 0.886 227 V HN 0.208 nan 8.190 nan 0.000 0.490 228 F N 1.510 121.577 119.950 0.195 0.000 2.387 228 F HA 0.162 4.691 4.527 0.005 0.000 0.294 228 F C 1.078 177.067 175.800 0.316 0.000 1.093 228 F CA 0.655 58.778 58.000 0.206 0.000 1.420 228 F CB 0.189 39.244 39.000 0.092 0.000 1.086 228 F HN 0.232 nan 8.300 nan 0.000 0.531 229 S N 0.484 116.400 115.700 0.361 0.000 2.620 229 S HA 0.500 4.973 4.470 0.004 0.000 0.244 229 S C -0.762 173.797 174.600 -0.067 0.000 1.192 229 S CA -0.874 57.501 58.200 0.291 0.000 1.148 229 S CB 0.962 64.324 63.200 0.271 0.000 1.106 229 S HN 0.079 nan 8.310 nan 0.000 0.474 230 R N 2.593 122.782 120.500 -0.518 0.000 2.346 230 R HA 0.388 4.731 4.340 0.004 0.000 0.311 230 R C -2.203 173.640 176.300 -0.763 0.000 0.983 230 R CA -2.364 53.025 56.100 -1.185 0.000 0.880 230 R CB 1.028 30.089 30.300 -2.065 0.000 1.100 230 R HN 0.299 nan 8.270 nan 0.000 0.453 231 P HA -0.212 nan 4.420 nan 0.000 0.224 231 P C 0.530 177.786 177.300 -0.073 0.000 1.142 231 P CA 1.219 63.999 63.100 -0.534 0.000 0.778 231 P CB 0.176 31.482 31.700 -0.657 0.000 0.764 232 E N -2.117 117.934 120.200 -0.248 0.000 2.385 232 E HA -0.096 4.256 4.350 0.004 0.000 0.194 232 E C 0.705 177.307 176.600 0.004 0.000 1.013 232 E CA 0.389 56.729 56.400 -0.100 0.000 0.866 232 E CB -0.587 29.044 29.700 -0.114 0.000 0.832 232 E HN 0.283 nan 8.360 nan 0.000 0.500 233 W N 0.716 121.992 121.300 -0.040 0.000 3.388 233 W HA 0.387 5.050 4.660 0.005 0.000 0.324 233 W C 1.299 177.781 176.519 -0.061 0.000 1.250 233 W CA -0.479 56.843 57.345 -0.039 0.000 1.809 233 W CB -0.419 29.036 29.460 -0.009 0.000 1.083 233 W HN 0.107 nan 8.180 nan 0.000 0.685 234 M N -0.283 119.387 119.600 0.117 0.000 2.506 234 M HA 0.080 4.562 4.480 0.004 0.000 0.260 234 M C 0.355 176.624 176.300 -0.052 0.000 1.104 234 M CA 1.070 56.426 55.300 0.093 0.000 1.112 234 M CB 0.198 32.946 32.600 0.247 0.000 1.401 234 M HN -0.299 nan 8.290 nan 0.000 0.473 235 I N 1.181 121.696 120.570 -0.092 0.000 2.339 235 I HA 0.223 4.395 4.170 0.004 0.000 0.290 235 I C -0.593 175.485 176.117 -0.065 0.000 0.994 235 I CA -0.606 60.598 61.300 -0.160 0.000 1.191 235 I CB 1.427 39.259 38.000 -0.280 0.000 1.343 235 I HN 0.008 nan 8.210 nan 0.000 0.458 236 L N 6.732 127.925 121.223 -0.051 0.000 2.369 236 L HA 0.182 4.525 4.340 0.004 0.000 0.279 236 L C 0.974 177.833 176.870 -0.017 0.000 1.108 236 L CA 0.272 55.106 54.840 -0.009 0.000 0.852 236 L CB 0.647 42.725 42.059 0.031 0.000 1.169 236 L HN 0.730 nan 8.230 nan 0.000 0.452 237 T N -0.172 114.377 114.554 -0.008 0.000 3.056 237 T HA 0.036 4.388 4.350 0.004 0.000 0.241 237 T C 0.224 174.918 174.700 -0.011 0.000 1.006 237 T CA 0.008 62.103 62.100 -0.008 0.000 1.115 237 T CB 0.314 69.186 68.868 0.006 0.000 0.939 237 T HN 0.556 nan 8.240 nan 0.000 0.462 238 C N 2.485 121.774 119.300 -0.018 0.000 2.364 238 C HA 0.789 5.252 4.460 0.004 0.000 0.324 238 C C -1.108 173.864 174.990 -0.030 0.000 1.234 238 C CA -1.328 57.681 59.018 -0.015 0.000 1.417 238 C CB -0.173 27.562 27.740 -0.008 0.000 2.101 238 C HN 0.482 nan 8.230 nan 0.000 0.466 239 L N 9.782 130.991 121.223 -0.024 0.000 2.257 239 L HA 0.649 4.992 4.340 0.004 0.000 0.290 239 L C -2.081 174.785 176.870 -0.006 0.000 1.044 239 L CA -1.716 53.115 54.840 -0.015 0.000 0.810 239 L CB 1.153 43.194 42.059 -0.030 0.000 1.193 239 L HN 0.521 nan 8.230 nan 0.000 0.425 240 P HA 0.174 nan 4.420 nan 0.000 0.274 240 P C -1.286 176.144 177.300 0.217 0.000 1.231 240 P CA -0.207 62.942 63.100 0.082 0.000 0.790 240 P CB 1.264 32.911 31.700 -0.088 0.000 0.951 241 V N 3.438 123.498 119.914 0.244 0.000 2.443 241 V HA 0.298 4.421 4.120 0.004 0.000 0.293 241 V C -2.152 173.751 176.094 -0.318 0.000 1.021 241 V CA -2.217 60.099 62.300 0.026 0.000 0.848 241 V CB 1.589 33.378 31.823 -0.056 0.000 0.998 241 V HN 0.538 nan 8.190 nan 0.000 0.424 242 P HA 0.203 nan 4.420 nan 0.000 0.268 242 P C -2.491 174.531 177.300 -0.463 0.000 1.204 242 P CA -0.970 61.725 63.100 -0.676 0.000 0.768 242 P CB 0.369 31.960 31.700 -0.181 0.000 0.842 243 P HA 0.106 nan 4.420 nan 0.000 0.280 243 P C -1.953 175.240 177.300 -0.178 0.000 1.278 243 P CA -1.251 61.684 63.100 -0.275 0.000 0.787 243 P CB -0.828 30.721 31.700 -0.252 0.000 1.163 244 P HA -0.072 nan 4.420 nan 0.000 0.215 244 P C -1.263 175.982 177.300 -0.092 0.000 1.157 244 P CA 2.632 65.671 63.100 -0.102 0.000 0.868 244 P CB -1.915 29.733 31.700 -0.087 0.000 0.788 245 P HA -0.109 nan 4.420 nan 0.000 0.222 245 P C 1.100 178.363 177.300 -0.062 0.000 1.142 245 P CA 1.151 64.207 63.100 -0.074 0.000 0.788 245 P CB -0.414 31.240 31.700 -0.077 0.000 0.767 246 V N -0.882 118.987 119.914 -0.075 0.000 3.354 246 V HA 0.038 4.160 4.120 0.004 0.000 0.258 246 V C 1.156 177.227 176.094 -0.039 0.000 1.159 246 V CA 0.755 63.024 62.300 -0.052 0.000 1.125 246 V CB -0.799 30.986 31.823 -0.063 0.000 0.774 246 V HN 0.245 nan 8.190 nan 0.000 0.464 247 R N 0.386 120.855 120.500 -0.051 0.000 2.640 247 R HA 0.309 4.651 4.340 0.004 0.000 0.240 247 R C -3.242 173.022 176.300 -0.059 0.000 1.519 247 R CA -1.081 54.995 56.100 -0.040 0.000 1.570 247 R CB 0.040 30.324 30.300 -0.027 0.000 1.446 247 R HN 0.159 nan 8.270 nan 0.000 0.738 248 P HA 0.063 nan 4.420 nan 0.000 0.275 248 P C 0.161 177.413 177.300 -0.079 0.000 1.227 248 P CA 0.099 63.156 63.100 -0.071 0.000 0.781 248 P CB 1.524 33.186 31.700 -0.063 0.000 0.906 249 S N 2.725 118.365 115.700 -0.099 0.000 2.617 249 S HA 0.362 4.835 4.470 0.004 0.000 0.255 249 S C 0.430 174.941 174.600 -0.149 0.000 1.318 249 S CA -0.509 57.620 58.200 -0.120 0.000 0.978 249 S CB -0.064 63.057 63.200 -0.132 0.000 0.961 249 S HN 0.376 nan 8.310 nan 0.000 0.582 250 I N 1.611 122.048 120.570 -0.221 0.000 2.537 250 I HA 0.221 4.394 4.170 0.004 0.000 0.276 250 I C -0.174 175.487 176.117 -0.760 0.000 1.063 250 I CA -0.414 60.664 61.300 -0.369 0.000 1.144 250 I CB 1.371 39.212 38.000 -0.265 0.000 1.252 250 I HN 0.694 nan 8.210 nan 0.000 0.480 251 S N 4.858 120.218 115.700 -0.567 0.000 2.489 251 S HA 0.553 5.025 4.470 0.004 0.000 0.277 251 S C -0.556 173.698 174.600 -0.577 0.000 1.230 251 S CA -0.430 57.461 58.200 -0.514 0.000 1.053 251 S CB 0.227 63.289 63.200 -0.229 0.000 0.955 251 S HN 0.366 nan 8.310 nan 0.000 0.488 252 F N 3.290 123.240 119.950 -0.001 0.000 2.310 252 F HA 0.448 4.977 4.527 0.004 0.000 0.365 252 F C 0.928 176.726 175.800 -0.002 0.000 1.080 252 F CA -0.887 57.113 58.000 0.000 0.000 1.187 252 F CB -0.306 38.696 39.000 0.003 0.000 1.465 252 F HN 0.635 nan 8.300 nan 0.000 0.496 253 N N 1.058 119.819 118.700 0.101 0.000 1.210 253 N HA -0.264 4.478 4.740 0.004 0.000 0.127 253 N C -0.240 175.294 175.510 0.040 0.000 0.844 253 N CA 1.038 54.125 53.050 0.061 0.000 0.899 253 N CB -0.463 38.067 38.487 0.073 0.000 1.086 253 N HN 0.486 nan 8.380 nan 0.000 0.588 254 E N 0.561 120.785 120.200 0.041 0.000 2.264 254 E HA 0.595 4.948 4.350 0.004 0.000 0.260 254 E C 0.063 176.690 176.600 0.044 0.000 0.961 254 E CA 0.105 56.523 56.400 0.029 0.000 0.834 254 E CB 0.878 30.588 29.700 0.016 0.000 1.230 254 E HN 0.611 nan 8.360 nan 0.000 0.412 255 S N 0.066 115.787 115.700 0.035 0.000 3.533 255 S HA -0.310 4.162 4.470 0.004 0.000 0.347 255 S C -0.041 174.600 174.600 0.068 0.000 1.101 255 S CA 0.961 59.185 58.200 0.040 0.000 1.009 255 S CB -1.750 61.467 63.200 0.029 0.000 0.916 255 S HN 0.560 nan 8.310 nan 0.000 0.496 256 Q N 0.008 119.869 119.800 0.101 0.000 2.406 256 Q HA 0.370 4.712 4.340 0.004 0.000 0.244 256 Q C -1.119 175.005 176.000 0.206 0.000 0.884 256 Q CA -0.513 55.403 55.803 0.187 0.000 0.813 256 Q CB 1.148 30.048 28.738 0.270 0.000 1.368 256 Q HN 0.302 nan 8.270 nan 0.000 0.439 257 R N 0.676 121.272 120.500 0.159 0.000 2.599 257 R HA 0.713 5.055 4.340 0.004 0.000 0.295 257 R C -0.367 176.016 176.300 0.138 0.000 0.963 257 R CA -0.674 55.470 56.100 0.073 0.000 0.883 257 R CB 2.137 32.447 30.300 0.016 0.000 1.171 257 R HN 0.668 nan 8.270 nan 0.000 0.450 258 G N 1.892 110.730 108.800 0.064 0.000 2.805 258 G HA2 0.408 4.371 3.960 0.004 0.000 0.283 258 G HA3 0.408 4.371 3.960 0.004 0.000 0.283 258 G C -0.750 174.165 174.900 0.025 0.000 1.508 258 G CA -0.319 44.866 45.100 0.141 0.000 1.042 258 G HN 0.406 nan 8.290 nan 0.000 0.543 259 E N 1.040 121.247 120.200 0.010 0.000 2.232 259 E HA 0.273 4.626 4.350 0.004 0.000 0.265 259 E C -0.238 176.334 176.600 -0.046 0.000 1.001 259 E CA -0.685 55.649 56.400 -0.109 0.000 0.870 259 E CB 1.648 31.175 29.700 -0.289 0.000 1.175 259 E HN 0.451 nan 8.360 nan 0.000 0.407 260 D N 0.318 120.673 120.400 -0.075 0.000 2.363 260 D HA -0.051 4.591 4.640 0.004 0.000 0.240 260 D C 0.152 176.497 176.300 0.075 0.000 1.236 260 D CA 0.095 54.101 54.000 0.009 0.000 0.927 260 D CB 0.969 41.759 40.800 -0.017 0.000 1.150 260 D HN 0.360 nan 8.370 nan 0.000 0.458 261 D N 0.724 121.224 120.400 0.167 0.000 2.103 261 D HA -0.062 4.581 4.640 0.004 0.000 0.199 261 D C 2.052 178.486 176.300 0.224 0.000 0.978 261 D CA 0.640 54.809 54.000 0.281 0.000 0.829 261 D CB -0.129 40.786 40.800 0.191 0.000 0.981 261 D HN 0.334 nan 8.370 nan 0.000 0.464 262 L N 0.684 121.990 121.223 0.138 0.000 2.137 262 L HA -0.232 4.110 4.340 0.004 0.000 0.213 262 L C 2.308 179.260 176.870 0.138 0.000 1.085 262 L CA 1.263 56.204 54.840 0.169 0.000 0.760 262 L CB -0.726 41.408 42.059 0.125 0.000 0.893 262 L HN 0.111 nan 8.230 nan 0.000 0.434 263 T N -0.445 114.115 114.554 0.009 0.000 2.708 263 T HA -0.191 4.162 4.350 0.004 0.000 0.266 263 T C 1.582 176.203 174.700 -0.132 0.000 1.037 263 T CA 1.492 63.517 62.100 -0.125 0.000 1.146 263 T CB -0.394 68.302 68.868 -0.288 0.000 0.865 263 T HN 0.185 nan 8.240 nan 0.000 0.435 264 F N 1.154 121.123 119.950 0.031 0.000 2.216 264 F HA -0.035 4.494 4.527 0.004 0.000 0.300 264 F C 2.446 178.252 175.800 0.010 0.000 1.085 264 F CA 0.656 58.668 58.000 0.020 0.000 1.326 264 F CB -0.193 38.827 39.000 0.035 0.000 1.027 264 F HN -0.052 nan 8.300 nan 0.000 0.497 265 K N 0.742 121.278 120.400 0.226 0.000 2.026 265 K HA -0.117 4.205 4.320 0.004 0.000 0.208 265 K C 1.907 178.505 176.600 -0.004 0.000 1.048 265 K CA 1.290 57.680 56.287 0.171 0.000 0.929 265 K CB -0.773 31.942 32.500 0.358 0.000 0.713 265 K HN 0.211 nan 8.250 nan 0.000 0.439 266 L N -0.345 120.849 121.223 -0.048 0.000 2.201 266 L HA -0.121 4.221 4.340 0.004 0.000 0.212 266 L C 2.226 179.023 176.870 -0.120 0.000 1.105 266 L CA 1.051 55.796 54.840 -0.159 0.000 0.775 266 L CB -0.446 41.526 42.059 -0.146 0.000 0.913 266 L HN 0.157 nan 8.230 nan 0.000 0.440 267 A N 0.122 122.902 122.820 -0.066 0.000 1.841 267 A HA -0.214 4.109 4.320 0.004 0.000 0.214 267 A C 1.939 179.469 177.584 -0.089 0.000 1.195 267 A CA 1.881 53.890 52.037 -0.046 0.000 0.611 267 A CB -0.569 18.443 19.000 0.020 0.000 0.835 267 A HN 0.305 nan 8.150 nan 0.000 0.443 268 D N -0.036 120.285 120.400 -0.133 0.000 2.182 268 D HA -0.116 4.527 4.640 0.004 0.000 0.201 268 D C 1.803 177.822 176.300 -0.469 0.000 0.986 268 D CA 0.975 54.762 54.000 -0.356 0.000 0.847 268 D CB -0.297 40.174 40.800 -0.547 0.000 0.942 268 D HN 0.525 nan 8.370 nan 0.000 0.467 269 I N 0.044 120.433 120.570 -0.302 0.000 2.193 269 I HA -0.211 3.962 4.170 0.004 0.000 0.240 269 I C 2.183 178.231 176.117 -0.114 0.000 1.084 269 I CA 0.481 61.682 61.300 -0.165 0.000 1.365 269 I CB -0.044 37.858 38.000 -0.163 0.000 1.064 269 I HN 0.019 nan 8.210 nan 0.000 0.410 270 L N 0.900 122.048 121.223 -0.125 0.000 2.201 270 L HA -0.144 4.199 4.340 0.004 0.000 0.212 270 L C 2.193 179.021 176.870 -0.070 0.000 1.105 270 L CA 1.800 56.578 54.840 -0.103 0.000 0.775 270 L CB -0.687 41.306 42.059 -0.111 0.000 0.913 270 L HN 0.064 nan 8.230 nan 0.000 0.440 271 K N -1.149 119.212 120.400 -0.065 0.000 2.228 271 K HA 0.044 4.366 4.320 0.004 0.000 0.202 271 K C 1.981 178.574 176.600 -0.012 0.000 1.051 271 K CA 0.874 57.142 56.287 -0.031 0.000 0.960 271 K CB -0.027 32.456 32.500 -0.028 0.000 0.743 271 K HN 0.443 nan 8.250 nan 0.000 0.458 272 A N 1.325 124.138 122.820 -0.011 0.000 1.874 272 A HA -0.143 4.180 4.320 0.004 0.000 0.214 272 A C 1.829 179.428 177.584 0.025 0.000 1.189 272 A CA 1.439 53.502 52.037 0.044 0.000 0.615 272 A CB -0.580 18.500 19.000 0.134 0.000 0.830 272 A HN 0.263 nan 8.150 nan 0.000 0.443 273 N N -0.064 118.636 118.700 -0.000 0.000 2.205 273 N HA -0.106 4.637 4.740 0.004 0.000 0.186 273 N C 1.422 176.920 175.510 -0.020 0.000 1.015 273 N CA 1.543 54.584 53.050 -0.015 0.000 0.862 273 N CB -0.310 38.151 38.487 -0.045 0.000 0.986 273 N HN 0.542 nan 8.380 nan 0.000 0.429 274 I N -0.483 120.074 120.570 -0.022 0.000 2.277 274 I HA -0.202 3.970 4.170 0.004 0.000 0.243 274 I C 2.101 178.221 176.117 0.005 0.000 1.094 274 I CA 1.027 62.318 61.300 -0.015 0.000 1.393 274 I CB -0.329 37.663 38.000 -0.013 0.000 1.078 274 I HN 0.270 nan 8.210 nan 0.000 0.417 275 S N 0.854 116.561 115.700 0.011 0.000 2.442 275 S HA -0.177 4.295 4.470 0.004 0.000 0.236 275 S C 1.906 176.513 174.600 0.012 0.000 1.007 275 S CA 0.802 59.011 58.200 0.016 0.000 0.965 275 S CB -0.549 62.664 63.200 0.022 0.000 0.773 275 S HN 0.337 nan 8.310 nan 0.000 0.504 276 L N 1.675 122.902 121.223 0.008 0.000 2.023 276 L HA 0.211 4.554 4.340 0.004 0.000 0.205 276 L C 2.496 179.359 176.870 -0.011 0.000 1.073 276 L CA 1.934 56.773 54.840 -0.002 0.000 0.745 276 L CB -0.624 41.434 42.059 -0.002 0.000 0.900 276 L HN 0.335 nan 8.230 nan 0.000 0.435 277 E N -1.733 118.468 120.200 0.001 0.000 2.516 277 E HA -0.109 4.243 4.350 0.004 0.000 0.199 277 E C 1.175 177.810 176.600 0.058 0.000 1.069 277 E CA 0.753 57.169 56.400 0.027 0.000 0.876 277 E CB 0.117 29.851 29.700 0.057 0.000 0.843 277 E HN 0.473 nan 8.360 nan 0.000 0.530 278 T N -0.226 114.347 114.554 0.031 0.000 3.067 278 T HA 0.097 4.450 4.350 0.004 0.000 0.257 278 T C 1.424 176.136 174.700 0.020 0.000 1.105 278 T CA 0.262 62.383 62.100 0.036 0.000 1.104 278 T CB 0.249 69.133 68.868 0.027 0.000 0.925 278 T HN 0.159 nan 8.240 nan 0.000 0.498 279 L N -0.076 121.145 121.223 -0.005 0.000 2.470 279 L HA 0.260 4.603 4.340 0.004 0.000 0.219 279 L C 2.510 179.341 176.870 -0.063 0.000 1.071 279 L CA 0.537 55.362 54.840 -0.026 0.000 0.850 279 L CB -0.003 42.038 42.059 -0.029 0.000 1.040 279 L HN 0.152 nan 8.230 nan 0.000 0.475 280 E N -0.219 119.920 120.200 -0.102 0.000 2.028 280 E HA -0.165 4.187 4.350 0.004 0.000 0.191 280 E C 1.552 178.006 176.600 -0.242 0.000 0.988 280 E CA 0.976 57.248 56.400 -0.213 0.000 0.799 280 E CB 0.056 29.566 29.700 -0.317 0.000 0.755 280 E HN 0.507 nan 8.360 nan 0.000 0.447 281 H N -0.092 118.961 119.070 -0.027 0.000 2.547 281 H HA 0.176 4.735 4.556 0.004 0.000 0.266 281 H C 0.403 175.719 175.328 -0.019 0.000 0.988 281 H CA 0.207 56.242 56.048 -0.022 0.000 1.147 281 H CB 0.202 29.954 29.762 -0.016 0.000 1.365 281 H HN 0.012 nan 8.280 nan 0.000 0.589 282 N N -0.452 118.279 118.700 0.052 0.000 2.906 282 N HA 0.201 4.943 4.740 0.004 0.000 0.327 282 N C 0.491 175.998 175.510 -0.006 0.000 1.344 282 N CA -0.428 52.638 53.050 0.028 0.000 0.823 282 N CB 0.721 39.224 38.487 0.027 0.000 1.351 282 N HN 0.106 nan 8.380 nan 0.000 0.604 283 G N -0.168 108.630 108.800 -0.003 0.000 2.778 283 G HA2 0.409 4.372 3.960 0.004 0.000 0.287 283 G HA3 0.409 4.372 3.960 0.004 0.000 0.287 283 G C -0.020 174.867 174.900 -0.022 0.000 0.747 283 G CA -0.138 44.955 45.100 -0.012 0.000 1.961 283 G HN 0.577 nan 8.290 nan 0.000 0.539 284 A N 3.753 126.542 122.820 -0.053 0.000 2.388 284 A HA 0.611 4.934 4.320 0.004 0.000 0.257 284 A C -1.412 176.144 177.584 -0.047 0.000 1.095 284 A CA -1.273 50.727 52.037 -0.062 0.000 0.791 284 A CB 0.754 19.689 19.000 -0.108 0.000 1.029 284 A HN 0.402 nan 8.150 nan 0.000 0.489 285 P HA 0.120 nan 4.420 nan 0.000 0.235 285 P C 0.743 178.129 177.300 0.143 0.000 1.725 285 P CA 0.058 63.197 63.100 0.065 0.000 0.894 285 P CB -0.266 31.470 31.700 0.060 0.000 1.704 286 H N 0.311 119.398 119.070 0.028 0.000 1.542 286 H HA -0.280 4.279 4.556 0.004 0.000 0.090 286 H C 0.499 175.805 175.328 -0.037 0.000 0.566 286 H CA 2.226 58.298 56.048 0.040 0.000 1.893 286 H CB -1.116 28.736 29.762 0.149 0.000 2.245 286 H HN 0.464 nan 8.280 nan 0.000 0.960 287 H N -0.252 118.916 119.070 0.164 0.000 2.475 287 H HA 0.485 5.044 4.556 0.004 0.000 0.276 287 H C 1.158 176.523 175.328 0.061 0.000 1.126 287 H CA 0.664 56.768 56.048 0.093 0.000 1.023 287 H CB 0.575 30.381 29.762 0.074 0.000 1.669 287 H HN 0.433 nan 8.280 nan 0.000 0.573 288 A N 0.315 123.205 122.820 0.117 0.000 2.303 288 A HA 0.145 4.468 4.320 0.004 0.000 0.217 288 A C 2.077 179.682 177.584 0.034 0.000 1.205 288 A CA -0.161 51.918 52.037 0.071 0.000 0.875 288 A CB -0.008 19.029 19.000 0.060 0.000 0.910 288 A HN 0.198 nan 8.150 nan 0.000 0.501 289 I N 0.947 121.521 120.570 0.007 0.000 2.113 289 I HA -0.269 3.904 4.170 0.004 0.000 0.238 289 I C 2.426 178.539 176.117 -0.007 0.000 1.070 289 I CA 1.801 63.089 61.300 -0.019 0.000 1.332 289 I CB -0.417 37.545 38.000 -0.063 0.000 1.044 289 I HN 0.539 nan 8.210 nan 0.000 0.402 290 E N 1.289 121.482 120.200 -0.011 0.000 2.463 290 E HA -0.235 4.118 4.350 0.004 0.000 0.201 290 E C 1.489 178.112 176.600 0.037 0.000 1.045 290 E CA 0.916 57.324 56.400 0.014 0.000 0.872 290 E CB -0.420 29.291 29.700 0.019 0.000 0.797 290 E HN 0.620 nan 8.360 nan 0.000 0.538 291 E N 1.394 121.615 120.200 0.036 0.000 2.051 291 E HA -0.141 4.211 4.350 0.004 0.000 0.192 291 E C 1.967 178.582 176.600 0.025 0.000 0.991 291 E CA 1.402 57.821 56.400 0.033 0.000 0.799 291 E CB -0.100 29.618 29.700 0.029 0.000 0.748 291 E HN 0.403 nan 8.360 nan 0.000 0.449 292 A N 0.816 123.650 122.820 0.024 0.000 2.218 292 A HA -0.055 4.267 4.320 0.004 0.000 0.209 292 A C 1.856 179.464 177.584 0.040 0.000 1.168 292 A CA 0.270 52.323 52.037 0.028 0.000 0.804 292 A CB -0.067 18.948 19.000 0.024 0.000 0.834 292 A HN 0.155 nan 8.150 nan 0.000 0.482 293 E N 0.692 120.915 120.200 0.037 0.000 2.158 293 E HA -0.118 4.234 4.350 0.004 0.000 0.191 293 E C 1.861 178.505 176.600 0.073 0.000 0.982 293 E CA 1.210 57.638 56.400 0.047 0.000 0.823 293 E CB 0.034 29.755 29.700 0.034 0.000 0.766 293 E HN 0.690 nan 8.360 nan 0.000 0.468 294 S N 0.358 116.100 115.700 0.070 0.000 2.515 294 S HA -0.104 4.369 4.470 0.004 0.000 0.231 294 S C 1.886 176.544 174.600 0.098 0.000 0.987 294 S CA 0.294 58.546 58.200 0.087 0.000 0.936 294 S CB -0.055 63.186 63.200 0.068 0.000 0.766 294 S HN 0.213 nan 8.310 nan 0.000 0.528 295 L N 0.769 122.035 121.223 0.072 0.000 2.095 295 L HA 0.278 4.621 4.340 0.004 0.000 0.204 295 L C 2.131 179.098 176.870 0.162 0.000 1.080 295 L CA 1.151 56.031 54.840 0.067 0.000 0.759 295 L CB -0.616 41.472 42.059 0.049 0.000 0.914 295 L HN 0.360 nan 8.230 nan 0.000 0.439 296 L N -0.509 120.804 121.223 0.149 0.000 2.201 296 L HA -0.164 4.178 4.340 0.004 0.000 0.212 296 L C 2.337 179.301 176.870 0.157 0.000 1.105 296 L CA 1.630 56.565 54.840 0.157 0.000 0.775 296 L CB -0.725 41.391 42.059 0.095 0.000 0.913 296 L HN 0.441 nan 8.230 nan 0.000 0.440 297 Q N -1.442 118.450 119.800 0.153 0.000 2.245 297 Q HA -0.165 4.178 4.340 0.004 0.000 0.201 297 Q C 1.933 178.021 176.000 0.148 0.000 0.955 297 Q CA 1.583 57.478 55.803 0.153 0.000 0.870 297 Q CB -0.392 28.444 28.738 0.163 0.000 0.945 297 Q HN 0.567 nan 8.270 nan 0.000 0.461 298 F N -0.644 119.313 119.950 0.012 0.000 2.094 298 F HA -0.067 4.462 4.527 0.004 0.000 0.291 298 F C 1.955 177.753 175.800 -0.004 0.000 1.109 298 F CA 1.770 59.746 58.000 -0.041 0.000 1.221 298 F CB -0.280 38.635 39.000 -0.142 0.000 1.014 298 F HN 0.197 nan 8.300 nan 0.000 0.473 299 H N -1.000 118.282 119.070 0.353 0.000 2.387 299 H HA -0.163 4.395 4.556 0.004 0.000 0.299 299 H C 2.130 177.521 175.328 0.106 0.000 1.099 299 H CA 1.812 58.002 56.048 0.238 0.000 1.315 299 H CB -0.151 29.727 29.762 0.195 0.000 1.380 299 H HN 0.163 nan 8.280 nan 0.000 0.513 300 V N 0.034 120.064 119.914 0.194 0.000 2.871 300 V HA -0.088 4.035 4.120 0.004 0.000 0.256 300 V C 2.208 178.362 176.094 0.100 0.000 1.082 300 V CA 1.280 63.657 62.300 0.127 0.000 1.105 300 V CB -0.221 31.651 31.823 0.082 0.000 0.713 300 V HN 0.517 nan 8.190 nan 0.000 0.473 301 A N -1.281 121.540 122.820 0.002 0.000 2.147 301 A HA -0.029 4.294 4.320 0.004 0.000 0.211 301 A C 2.251 179.725 177.584 -0.184 0.000 1.160 301 A CA 1.425 53.399 52.037 -0.104 0.000 0.781 301 A CB -0.223 18.698 19.000 -0.133 0.000 0.842 301 A HN 0.388 nan 8.150 nan 0.000 0.475 302 T N -2.306 112.125 114.554 -0.206 0.000 3.037 302 T HA 0.031 4.383 4.350 0.004 0.000 0.251 302 T C 1.351 176.057 174.700 0.010 0.000 1.079 302 T CA 0.793 62.755 62.100 -0.230 0.000 1.067 302 T CB -0.318 68.297 68.868 -0.421 0.000 0.948 302 T HN 0.577 nan 8.240 nan 0.000 0.496 303 Y N 0.493 120.779 120.300 -0.023 0.000 2.546 303 Y HA 0.284 4.837 4.550 0.004 0.000 0.287 303 Y C 1.617 177.532 175.900 0.024 0.000 1.158 303 Y CA 0.838 58.957 58.100 0.031 0.000 1.307 303 Y CB -0.064 38.430 38.460 0.055 0.000 1.036 303 Y HN 0.186 nan 8.280 nan 0.000 0.532 304 M N -1.344 118.189 119.600 -0.111 0.000 2.925 304 M HA 0.169 4.651 4.480 0.004 0.000 0.249 304 M C -0.350 175.912 176.300 -0.062 0.000 1.439 304 M CA 0.345 55.555 55.300 -0.150 0.000 1.217 304 M CB 0.446 32.998 32.600 -0.079 0.000 1.245 304 M HN -0.070 nan 8.290 nan 0.000 0.552 305 D N -0.434 119.931 120.400 -0.059 0.000 2.547 305 D HA 0.320 4.963 4.640 0.004 0.000 0.231 305 D C -0.731 175.528 176.300 -0.068 0.000 1.099 305 D CA -0.045 53.935 54.000 -0.032 0.000 0.901 305 D CB 2.240 43.031 40.800 -0.014 0.000 1.478 305 D HN -0.087 nan 8.370 nan 0.000 0.471 306 N N 0.246 118.919 118.700 -0.045 0.000 2.028 306 N HA 0.026 4.768 4.740 0.004 0.000 0.230 306 N C -1.149 174.344 175.510 -0.030 0.000 1.354 306 N CA 0.029 53.049 53.050 -0.051 0.000 0.855 306 N CB 0.656 39.128 38.487 -0.025 0.000 1.111 306 N HN 0.194 nan 8.380 nan 0.000 0.480 307 D N 0.972 121.361 120.400 -0.017 0.000 2.631 307 D HA 0.302 4.945 4.640 0.004 0.000 0.227 307 D C 0.196 176.489 176.300 -0.012 0.000 1.146 307 D CA 0.036 54.030 54.000 -0.010 0.000 1.009 307 D CB 0.256 41.051 40.800 -0.007 0.000 1.057 307 D HN 0.356 nan 8.370 nan 0.000 0.509 308 I N -0.641 119.917 120.570 -0.020 0.000 3.660 308 I HA 0.486 4.659 4.170 0.004 0.000 0.285 308 I C 1.743 177.852 176.117 -0.013 0.000 1.266 308 I CA -1.129 60.157 61.300 -0.024 0.000 0.987 308 I CB 0.696 38.667 38.000 -0.048 0.000 1.417 308 I HN 0.038 nan 8.210 nan 0.000 0.590 309 A N 0.870 123.681 122.820 -0.015 0.000 1.898 309 A HA 0.161 4.484 4.320 0.004 0.000 0.214 309 A C 1.532 179.115 177.584 -0.001 0.000 1.183 309 A CA 0.979 53.012 52.037 -0.008 0.000 0.622 309 A CB -1.201 17.793 19.000 -0.011 0.000 0.824 309 A HN 0.840 nan 8.150 nan 0.000 0.444 310 G N -0.437 108.362 108.800 -0.001 0.000 2.254 310 G HA2 0.248 4.210 3.960 0.004 0.000 0.253 310 G HA3 0.248 4.210 3.960 0.004 0.000 0.253 310 G C 0.411 175.332 174.900 0.034 0.000 1.246 310 G CA -0.139 44.972 45.100 0.018 0.000 0.946 310 G HN 0.556 nan 8.290 nan 0.000 0.474 311 Q N 1.531 121.353 119.800 0.037 0.000 2.170 311 Q HA -0.060 4.282 4.340 0.004 0.000 0.203 311 Q C -0.965 175.070 176.000 0.059 0.000 0.976 311 Q CA 0.525 56.351 55.803 0.037 0.000 0.858 311 Q CB -0.634 28.119 28.738 0.026 0.000 0.907 311 Q HN 0.474 nan 8.270 nan 0.000 0.433 312 P HA -0.074 nan 4.420 nan 0.000 0.258 312 P C -0.060 177.337 177.300 0.161 0.000 1.187 312 P CA 0.556 63.737 63.100 0.136 0.000 0.767 312 P CB 0.524 32.360 31.700 0.226 0.000 0.770 313 Q N 2.996 122.864 119.800 0.113 0.000 2.389 313 Q HA 0.075 4.417 4.340 0.004 0.000 0.204 313 Q C 0.484 176.563 176.000 0.131 0.000 0.944 313 Q CA 0.707 56.565 55.803 0.092 0.000 0.908 313 Q CB -0.073 28.698 28.738 0.055 0.000 1.002 313 Q HN 0.626 nan 8.270 nan 0.000 0.493 314 A N 0.700 123.647 122.820 0.211 0.000 2.238 314 A HA -0.170 4.153 4.320 0.004 0.000 0.273 314 A C -0.350 177.324 177.584 0.150 0.000 1.399 314 A CA 0.103 52.301 52.037 0.268 0.000 0.723 314 A CB -1.969 17.223 19.000 0.320 0.000 1.170 314 A HN 0.310 nan 8.150 nan 0.000 0.336 315 L N 1.363 122.645 121.223 0.097 0.000 2.421 315 L HA 0.511 4.853 4.340 0.004 0.000 0.263 315 L C 0.993 177.893 176.870 0.050 0.000 1.122 315 L CA -0.349 54.526 54.840 0.058 0.000 0.804 315 L CB 1.175 43.251 42.059 0.029 0.000 1.150 315 L HN 0.794 nan 8.230 nan 0.000 0.457 316 Q N 2.093 121.904 119.800 0.019 0.000 2.312 316 Q HA 0.247 4.590 4.340 0.004 0.000 0.263 316 Q C -0.874 175.097 176.000 -0.049 0.000 0.995 316 Q CA -0.827 54.959 55.803 -0.029 0.000 0.853 316 Q CB 1.847 30.540 28.738 -0.074 0.000 1.300 316 Q HN 0.437 nan 8.270 nan 0.000 0.448 317 K N 1.038 121.399 120.400 -0.066 0.000 2.600 317 K HA -0.168 4.154 4.320 0.004 0.000 0.280 317 K C 0.400 176.969 176.600 -0.051 0.000 0.971 317 K CA 1.638 57.892 56.287 -0.055 0.000 1.053 317 K CB 0.116 32.578 32.500 -0.064 0.000 0.856 317 K HN 0.976 nan 8.250 nan 0.000 0.495 318 S N 0.159 115.840 115.700 -0.032 0.000 2.709 318 S HA -0.126 4.346 4.470 0.004 0.000 0.267 318 S C 0.459 175.051 174.600 -0.014 0.000 1.341 318 S CA 0.827 59.013 58.200 -0.023 0.000 1.165 318 S CB -2.253 60.931 63.200 -0.026 0.000 1.432 318 S HN 1.687 nan 8.310 nan 0.000 0.678 319 G N 1.169 109.962 108.800 -0.012 0.000 2.370 319 G HA2 -0.260 3.702 3.960 0.004 0.000 0.295 319 G HA3 -0.260 3.702 3.960 0.004 0.000 0.295 319 G C -0.433 174.468 174.900 0.002 0.000 1.045 319 G CA 0.465 45.564 45.100 -0.003 0.000 1.199 319 G HN 1.040 nan 8.290 nan 0.000 0.513 320 R N 1.395 121.897 120.500 0.002 0.000 2.371 320 R HA 0.429 4.772 4.340 0.004 0.000 0.312 320 R C -1.492 174.822 176.300 0.023 0.000 0.980 320 R CA -2.156 53.949 56.100 0.009 0.000 0.867 320 R CB 1.362 31.662 30.300 0.001 0.000 1.163 320 R HN 0.074 nan 8.270 nan 0.000 0.492 321 P HA -0.149 nan 4.420 nan 0.000 0.218 321 P C -0.536 176.790 177.300 0.044 0.000 1.146 321 P CA 0.806 63.926 63.100 0.033 0.000 0.820 321 P CB 0.158 31.872 31.700 0.023 0.000 0.778 322 V N -2.075 117.866 119.914 0.044 0.000 3.436 322 V HA -0.190 3.933 4.120 0.004 0.000 0.491 322 V C 0.136 176.257 176.094 0.045 0.000 0.682 322 V CA 0.230 62.565 62.300 0.059 0.000 2.037 322 V CB -1.135 30.739 31.823 0.086 0.000 2.477 322 V HN 0.230 nan 8.190 nan 0.000 0.505 323 K N 3.927 124.351 120.400 0.041 0.000 2.220 323 K HA 0.430 4.753 4.320 0.004 0.000 0.283 323 K C 0.615 177.214 176.600 -0.003 0.000 1.098 323 K CA 0.394 56.690 56.287 0.016 0.000 0.928 323 K CB 0.680 33.188 32.500 0.013 0.000 1.214 323 K HN 0.885 nan 8.250 nan 0.000 0.442 324 S N 2.039 117.728 115.700 -0.019 0.000 2.572 324 S HA 0.099 4.571 4.470 0.004 0.000 0.279 324 S C 1.561 176.101 174.600 -0.100 0.000 1.341 324 S CA -0.684 57.472 58.200 -0.073 0.000 1.043 324 S CB 0.499 63.661 63.200 -0.062 0.000 0.887 324 S HN 0.512 nan 8.310 nan 0.000 0.516 325 I N 1.035 121.493 120.570 -0.187 0.000 2.191 325 I HA -0.362 3.811 4.170 0.004 0.000 0.248 325 I C 2.907 178.977 176.117 -0.079 0.000 1.061 325 I CA 2.236 63.448 61.300 -0.147 0.000 1.329 325 I CB -0.500 37.383 38.000 -0.195 0.000 1.024 325 I HN 0.809 nan 8.210 nan 0.000 0.423 326 R N 1.123 121.588 120.500 -0.058 0.000 2.097 326 R HA -0.228 4.115 4.340 0.004 0.000 0.236 326 R C 2.417 178.691 176.300 -0.042 0.000 1.135 326 R CA 2.059 58.135 56.100 -0.040 0.000 0.934 326 R CB -0.433 29.873 30.300 0.010 0.000 0.846 326 R HN 0.373 nan 8.270 nan 0.000 0.431 327 A N 0.949 123.750 122.820 -0.032 0.000 2.084 327 A HA -0.196 4.126 4.320 0.004 0.000 0.221 327 A C 2.089 179.656 177.584 -0.028 0.000 1.161 327 A CA 1.627 53.648 52.037 -0.027 0.000 0.653 327 A CB -0.557 18.432 19.000 -0.018 0.000 0.802 327 A HN 0.423 nan 8.150 nan 0.000 0.457 328 R N -0.934 119.547 120.500 -0.032 0.000 2.237 328 R HA 0.016 4.359 4.340 0.004 0.000 0.219 328 R C 1.332 177.615 176.300 -0.029 0.000 1.080 328 R CA 1.242 57.325 56.100 -0.027 0.000 0.995 328 R CB -0.231 30.051 30.300 -0.029 0.000 0.875 328 R HN 0.587 nan 8.270 nan 0.000 0.462 329 L N -0.576 120.623 121.223 -0.040 0.000 2.609 329 L HA 0.172 4.515 4.340 0.004 0.000 0.230 329 L C 0.833 177.676 176.870 -0.045 0.000 1.064 329 L CA -0.248 54.566 54.840 -0.043 0.000 0.873 329 L CB -0.039 41.983 42.059 -0.062 0.000 1.139 329 L HN -0.056 nan 8.230 nan 0.000 0.490 330 K N 2.321 122.693 120.400 -0.048 0.000 2.511 330 K HA 0.087 4.410 4.320 0.004 0.000 0.280 330 K C 0.582 177.156 176.600 -0.044 0.000 1.008 330 K CA 0.193 56.449 56.287 -0.051 0.000 1.050 330 K CB 0.599 33.070 32.500 -0.048 0.000 0.889 330 K HN 0.122 nan 8.250 nan 0.000 0.484 331 G N 3.123 111.892 108.800 -0.052 0.000 2.497 331 G HA2 -0.119 3.843 3.960 0.004 0.000 0.228 331 G HA3 -0.119 3.843 3.960 0.004 0.000 0.228 331 G C -0.555 174.327 174.900 -0.030 0.000 1.190 331 G CA 0.181 45.256 45.100 -0.041 0.000 0.857 331 G HN 0.840 nan 8.290 nan 0.000 0.526 332 K N 0.661 121.053 120.400 -0.014 0.000 7.076 332 K HA -0.197 4.126 4.320 0.004 0.000 0.747 332 K C 1.045 177.640 176.600 -0.009 0.000 2.505 332 K CA 1.296 57.578 56.287 -0.008 0.000 1.814 332 K CB -0.391 32.100 32.500 -0.014 0.000 2.142 332 K HN 1.029 nan 8.250 nan 0.000 0.274 333 E N -1.867 118.331 120.200 -0.003 0.000 4.145 333 E HA -0.251 4.102 4.350 0.004 0.000 0.296 333 E C 0.786 177.383 176.600 -0.005 0.000 0.666 333 E CA 2.101 58.499 56.400 -0.003 0.000 1.214 333 E CB -1.948 27.750 29.700 -0.004 0.000 1.679 333 E HN 0.863 nan 8.360 nan 0.000 0.406 334 G N 0.530 109.324 108.800 -0.009 0.000 2.572 334 G HA2 0.235 4.198 3.960 0.004 0.000 0.261 334 G HA3 0.235 4.198 3.960 0.004 0.000 0.261 334 G C 0.801 175.695 174.900 -0.010 0.000 1.197 334 G CA 0.299 45.391 45.100 -0.013 0.000 0.870 334 G HN 0.090 nan 8.290 nan 0.000 0.548 335 R N 0.109 120.602 120.500 -0.012 0.000 2.117 335 R HA -0.108 4.234 4.340 0.004 0.000 0.243 335 R C 2.264 178.561 176.300 -0.005 0.000 1.143 335 R CA 1.307 57.402 56.100 -0.008 0.000 0.968 335 R CB -0.360 29.934 30.300 -0.011 0.000 0.863 335 R HN 0.514 nan 8.270 nan 0.000 0.444 336 I N -0.170 120.395 120.570 -0.008 0.000 2.206 336 I HA -0.115 4.058 4.170 0.004 0.000 0.239 336 I C 2.474 178.595 176.117 0.007 0.000 1.078 336 I CA 1.292 62.592 61.300 -0.000 0.000 1.367 336 I CB -0.946 37.050 38.000 -0.006 0.000 1.078 336 I HN 0.273 nan 8.210 nan 0.000 0.413 337 R N 0.540 121.044 120.500 0.007 0.000 2.052 337 R HA -0.063 4.280 4.340 0.004 0.000 0.226 337 R C 2.157 178.465 176.300 0.013 0.000 1.145 337 R CA 1.512 57.621 56.100 0.016 0.000 0.952 337 R CB -0.519 29.791 30.300 0.017 0.000 0.847 337 R HN 0.382 nan 8.270 nan 0.000 0.431 338 G N -0.415 108.389 108.800 0.007 0.000 2.650 338 G HA2 -0.123 3.839 3.960 0.004 0.000 0.214 338 G HA3 -0.123 3.839 3.960 0.004 0.000 0.214 338 G C 0.991 175.895 174.900 0.007 0.000 1.136 338 G CA 0.201 45.305 45.100 0.007 0.000 0.789 338 G HN 0.285 nan 8.290 nan 0.000 0.536 339 N N -0.893 117.810 118.700 0.005 0.000 2.145 339 N HA 0.265 5.007 4.740 0.004 0.000 0.219 339 N C 1.431 176.943 175.510 0.004 0.000 1.266 339 N CA -0.013 53.039 53.050 0.004 0.000 0.902 339 N CB 0.988 39.475 38.487 0.001 0.000 1.078 339 N HN 0.245 nan 8.380 nan 0.000 0.513 340 L N -0.365 120.862 121.223 0.006 0.000 2.663 340 L HA 0.264 4.607 4.340 0.004 0.000 0.218 340 L C 1.718 178.593 176.870 0.007 0.000 1.043 340 L CA 0.185 55.029 54.840 0.006 0.000 0.876 340 L CB 0.113 42.176 42.059 0.008 0.000 1.263 340 L HN -0.057 nan 8.230 nan 0.000 0.486 341 M N -0.462 119.145 119.600 0.011 0.000 2.287 341 M HA 0.180 4.663 4.480 0.004 0.000 0.266 341 M C 1.009 177.313 176.300 0.007 0.000 1.079 341 M CA 0.784 56.092 55.300 0.012 0.000 1.146 341 M CB -0.799 31.815 32.600 0.022 0.000 1.374 341 M HN 0.168 nan 8.290 nan 0.000 0.435 342 G N 1.750 110.554 108.800 0.008 0.000 3.114 342 G HA2 0.452 4.415 3.960 0.004 0.000 0.320 342 G HA3 0.452 4.415 3.960 0.004 0.000 0.320 342 G C -0.592 174.313 174.900 0.008 0.000 1.453 342 G CA -0.532 44.571 45.100 0.006 0.000 1.084 342 G HN 0.161 nan 8.290 nan 0.000 0.516 343 K N 1.183 121.587 120.400 0.005 0.000 2.098 343 K HA 0.440 4.763 4.320 0.004 0.000 0.257 343 K C 0.580 177.191 176.600 0.018 0.000 0.999 343 K CA -0.525 55.768 56.287 0.010 0.000 0.924 343 K CB 1.546 34.051 32.500 0.008 0.000 1.028 343 K HN 0.379 nan 8.250 nan 0.000 0.466 344 R N 0.568 121.081 120.500 0.023 0.000 2.582 344 R HA 0.271 4.614 4.340 0.004 0.000 0.271 344 R C -0.108 176.217 176.300 0.042 0.000 1.078 344 R CA -0.605 55.516 56.100 0.035 0.000 1.127 344 R CB 0.691 31.008 30.300 0.028 0.000 1.038 344 R HN 0.446 nan 8.270 nan 0.000 0.500 345 V N -1.810 118.146 119.914 0.069 0.000 3.074 345 V HA 0.491 4.614 4.120 0.004 0.000 0.314 345 V C -0.659 175.485 176.094 0.084 0.000 1.117 345 V CA -1.096 61.256 62.300 0.087 0.000 1.014 345 V CB 2.298 34.195 31.823 0.124 0.000 1.057 345 V HN 0.545 nan 8.190 nan 0.000 0.438 346 D N 0.523 120.968 120.400 0.076 0.000 2.466 346 D HA 0.509 5.152 4.640 0.004 0.000 0.262 346 D C -0.008 176.367 176.300 0.125 0.000 1.177 346 D CA -0.069 53.907 54.000 -0.040 0.000 1.035 346 D CB 0.449 41.106 40.800 -0.237 0.000 1.105 346 D HN 0.742 nan 8.370 nan 0.000 0.551 347 F N -0.470 119.540 119.950 0.100 0.000 2.866 347 F HA -0.257 4.272 4.527 0.004 0.000 0.254 347 F C 0.168 176.047 175.800 0.132 0.000 1.009 347 F CA 0.067 58.137 58.000 0.116 0.000 0.907 347 F CB -1.736 37.337 39.000 0.122 0.000 0.859 347 F HN 0.088 nan 8.300 nan 0.000 0.842 348 S N -0.985 114.833 115.700 0.197 0.000 2.588 348 S HA 1.016 5.488 4.470 0.004 0.000 0.275 348 S C -0.443 174.197 174.600 0.065 0.000 1.130 348 S CA -0.464 57.791 58.200 0.091 0.000 0.855 348 S CB 2.578 65.826 63.200 0.079 0.000 1.116 348 S HN 1.163 nan 8.310 nan 0.000 0.472 349 A N 0.726 123.564 122.820 0.030 0.000 2.581 349 A HA 0.953 5.276 4.320 0.004 0.000 0.290 349 A C -1.122 176.561 177.584 0.166 0.000 1.119 349 A CA -0.934 51.187 52.037 0.141 0.000 0.670 349 A CB 1.735 20.893 19.000 0.263 0.000 1.280 349 A HN 1.096 nan 8.150 nan 0.000 0.425 350 R N -0.048 120.635 120.500 0.305 0.000 2.808 350 R HA 0.546 4.889 4.340 0.004 0.000 0.254 350 R C -1.204 175.316 176.300 0.366 0.000 1.145 350 R CA 0.579 56.874 56.100 0.325 0.000 1.066 350 R CB 1.420 31.779 30.300 0.099 0.000 1.268 350 R HN 1.635 nan 8.270 nan 0.000 0.447 351 T N -0.949 113.924 114.554 0.531 0.000 2.645 351 T HA 0.407 4.760 4.350 0.004 0.000 0.300 351 T C -0.693 174.176 174.700 0.281 0.000 1.210 351 T CA -0.572 61.675 62.100 0.245 0.000 1.034 351 T CB 1.049 69.906 68.868 -0.020 0.000 1.537 351 T HN 0.198 nan 8.240 nan 0.000 0.492 352 V N 2.435 122.443 119.914 0.156 0.000 2.585 352 V HA 0.340 4.463 4.120 0.004 0.000 0.296 352 V C 0.790 177.014 176.094 0.217 0.000 1.035 352 V CA -0.501 61.890 62.300 0.152 0.000 1.084 352 V CB -0.625 31.254 31.823 0.092 0.000 0.953 352 V HN 0.822 nan 8.190 nan 0.000 0.483 353 I N 2.039 122.761 120.570 0.253 0.000 2.440 353 I HA 0.716 4.888 4.170 0.004 0.000 0.294 353 I C 0.170 176.460 176.117 0.288 0.000 0.995 353 I CA 0.284 61.775 61.300 0.318 0.000 1.306 353 I CB 1.353 39.569 38.000 0.360 0.000 1.407 353 I HN 0.487 nan 8.210 nan 0.000 0.501 354 S N 2.996 118.731 115.700 0.058 0.000 2.542 354 S HA 0.707 5.179 4.470 0.004 0.000 0.293 354 S C 0.064 174.205 174.600 -0.765 0.000 1.089 354 S CA -0.675 57.307 58.200 -0.364 0.000 0.961 354 S CB 1.862 64.927 63.200 -0.226 0.000 1.062 354 S HN 1.021 nan 8.310 nan 0.000 0.483 355 G N 0.660 108.468 108.800 -1.653 0.000 2.467 355 G HA2 0.463 4.426 3.960 0.004 0.000 0.257 355 G HA3 0.463 4.426 3.960 0.004 0.000 0.257 355 G C -1.074 173.584 174.900 -0.403 0.000 1.227 355 G CA -0.043 44.447 45.100 -1.016 0.000 0.835 355 G HN 0.556 nan 8.290 nan 0.000 0.556 356 D N 1.741 122.035 120.400 -0.177 0.000 2.336 356 D HA 0.257 4.899 4.640 0.004 0.000 0.248 356 D C -2.119 174.163 176.300 -0.030 0.000 1.326 356 D CA -1.471 52.470 54.000 -0.099 0.000 0.973 356 D CB 2.356 43.110 40.800 -0.077 0.000 1.255 356 D HN 0.123 nan 8.370 nan 0.000 0.558 357 P HA 0.196 nan 4.420 nan 0.000 0.259 357 P C 0.142 177.456 177.300 0.024 0.000 1.480 357 P CA 0.040 63.146 63.100 0.009 0.000 0.842 357 P CB 0.269 31.968 31.700 -0.003 0.000 1.513 358 N N -0.536 118.186 118.700 0.037 0.000 2.160 358 N HA 0.185 4.927 4.740 0.004 0.000 0.226 358 N C 0.173 175.726 175.510 0.071 0.000 1.256 358 N CA 0.010 53.107 53.050 0.079 0.000 0.890 358 N CB 0.990 39.540 38.487 0.104 0.000 1.116 358 N HN 0.215 nan 8.380 nan 0.000 0.517 359 L N 0.734 121.986 121.223 0.049 0.000 2.344 359 L HA 0.432 4.774 4.340 0.004 0.000 0.272 359 L C 0.833 177.734 176.870 0.052 0.000 1.035 359 L CA -0.876 53.991 54.840 0.044 0.000 0.807 359 L CB 0.995 43.073 42.059 0.031 0.000 1.237 359 L HN -0.196 nan 8.230 nan 0.000 0.442 360 E N 0.495 120.724 120.200 0.048 0.000 2.397 360 E HA 0.030 4.383 4.350 0.004 0.000 0.254 360 E C 0.708 177.323 176.600 0.025 0.000 1.231 360 E CA -0.327 56.101 56.400 0.047 0.000 0.954 360 E CB 0.773 30.497 29.700 0.040 0.000 1.024 360 E HN 0.417 nan 8.360 nan 0.000 0.481 361 L N 1.722 122.943 121.223 -0.003 0.000 1.976 361 L HA -0.221 4.122 4.340 0.004 0.000 0.209 361 L C 1.548 178.369 176.870 -0.082 0.000 1.071 361 L CA 2.436 57.228 54.840 -0.081 0.000 0.746 361 L CB -0.848 41.101 42.059 -0.184 0.000 0.890 361 L HN 0.557 nan 8.230 nan 0.000 0.432 362 D N -1.467 118.872 120.400 -0.102 0.000 2.378 362 D HA -0.140 4.503 4.640 0.004 0.000 0.222 362 D C 0.730 176.968 176.300 -0.103 0.000 0.980 362 D CA 0.440 54.327 54.000 -0.189 0.000 0.907 362 D CB -0.414 40.311 40.800 -0.125 0.000 0.899 362 D HN 0.491 nan 8.370 nan 0.000 0.527 363 Q N -0.414 119.400 119.800 0.024 0.000 2.256 363 Q HA 0.481 4.823 4.340 0.004 0.000 0.232 363 Q C -0.945 175.155 176.000 0.167 0.000 0.965 363 Q CA -0.749 55.104 55.803 0.082 0.000 0.908 363 Q CB 2.644 31.406 28.738 0.040 0.000 1.209 363 Q HN 0.050 nan 8.270 nan 0.000 0.489 364 V N 0.438 120.369 119.914 0.029 0.000 2.610 364 V HA 0.378 4.500 4.120 0.004 0.000 0.288 364 V C -0.653 175.377 176.094 -0.108 0.000 1.055 364 V CA -0.388 61.815 62.300 -0.162 0.000 0.902 364 V CB 1.456 32.908 31.823 -0.618 0.000 1.030 364 V HN 0.850 nan 8.190 nan 0.000 0.448 365 G N 5.988 114.753 108.800 -0.059 0.000 2.367 365 G HA2 0.406 4.368 3.960 0.004 0.000 0.282 365 G HA3 0.406 4.368 3.960 0.004 0.000 0.282 365 G C -0.235 174.656 174.900 -0.015 0.000 1.140 365 G CA 0.029 45.110 45.100 -0.032 0.000 1.088 365 G HN 0.824 nan 8.290 nan 0.000 0.431 366 V N 6.245 126.144 119.914 -0.025 0.000 2.465 366 V HA 0.195 4.318 4.120 0.004 0.000 0.279 366 V C -1.712 174.293 176.094 -0.149 0.000 1.045 366 V CA -1.523 60.747 62.300 -0.050 0.000 0.938 366 V CB 1.887 33.724 31.823 0.024 0.000 0.986 366 V HN 0.536 nan 8.190 nan 0.000 0.467 367 P HA 0.048 nan 4.420 nan 0.000 0.266 367 P C 0.700 177.886 177.300 -0.191 0.000 1.195 367 P CA 0.026 62.992 63.100 -0.223 0.000 0.768 367 P CB 0.561 32.084 31.700 -0.295 0.000 0.838 368 K N 2.451 122.734 120.400 -0.195 0.000 2.103 368 K HA -0.201 4.121 4.320 0.004 0.000 0.207 368 K C 1.996 178.499 176.600 -0.163 0.000 1.048 368 K CA 2.057 58.205 56.287 -0.232 0.000 0.930 368 K CB -0.375 31.986 32.500 -0.231 0.000 0.716 368 K HN 0.434 nan 8.250 nan 0.000 0.444 369 S N 0.925 116.544 115.700 -0.135 0.000 2.351 369 S HA -0.177 4.295 4.470 0.004 0.000 0.220 369 S C 1.943 176.509 174.600 -0.058 0.000 1.035 369 S CA 1.608 59.752 58.200 -0.094 0.000 1.031 369 S CB -0.322 62.823 63.200 -0.093 0.000 0.928 369 S HN 0.362 nan 8.310 nan 0.000 0.433 370 I N 1.733 122.258 120.570 -0.075 0.000 2.567 370 I HA -0.078 4.094 4.170 0.004 0.000 0.257 370 I C 2.642 178.789 176.117 0.050 0.000 1.184 370 I CA 0.999 62.287 61.300 -0.020 0.000 1.451 370 I CB -0.350 37.606 38.000 -0.074 0.000 1.089 370 I HN 0.456 nan 8.210 nan 0.000 0.441 371 A N 0.129 122.963 122.820 0.024 0.000 2.016 371 A HA -0.100 4.223 4.320 0.004 0.000 0.217 371 A C 2.227 179.904 177.584 0.155 0.000 1.162 371 A CA 0.962 53.065 52.037 0.110 0.000 0.662 371 A CB -0.242 18.804 19.000 0.077 0.000 0.812 371 A HN 0.281 nan 8.150 nan 0.000 0.450 372 K N -0.706 119.715 120.400 0.036 0.000 2.296 372 K HA -0.020 4.303 4.320 0.004 0.000 0.200 372 K C 1.485 178.236 176.600 0.252 0.000 1.048 372 K CA 1.450 57.737 56.287 -0.000 0.000 0.966 372 K CB -0.009 32.437 32.500 -0.090 0.000 0.754 372 K HN 0.462 nan 8.250 nan 0.000 0.466 373 T N 1.075 115.731 114.554 0.169 0.000 2.953 373 T HA 0.125 4.478 4.350 0.004 0.000 0.247 373 T C 0.892 175.703 174.700 0.186 0.000 1.029 373 T CA 0.181 62.367 62.100 0.144 0.000 1.144 373 T CB 0.126 69.045 68.868 0.086 0.000 0.870 373 T HN -0.027 nan 8.240 nan 0.000 0.446 374 L N 1.462 122.815 121.223 0.217 0.000 2.453 374 L HA 0.481 4.824 4.340 0.004 0.000 0.261 374 L C 0.518 177.570 176.870 0.303 0.000 1.179 374 L CA -0.270 54.737 54.840 0.280 0.000 0.813 374 L CB 0.707 42.928 42.059 0.269 0.000 1.110 374 L HN 0.124 nan 8.230 nan 0.000 0.466 375 T N -0.026 114.748 114.554 0.366 0.000 2.896 375 T HA 0.479 4.832 4.350 0.004 0.000 0.297 375 T C -1.737 173.086 174.700 0.206 0.000 1.108 375 T CA -0.448 61.816 62.100 0.273 0.000 1.004 375 T CB 1.269 70.300 68.868 0.272 0.000 1.159 375 T HN 0.405 nan 8.240 nan 0.000 0.499 376 Y N 3.898 124.214 120.300 0.025 0.000 2.346 376 Y HA 0.563 5.115 4.550 0.004 0.000 0.332 376 Y C -2.647 173.239 175.900 -0.024 0.000 0.985 376 Y CA -2.481 55.589 58.100 -0.049 0.000 1.112 376 Y CB 2.384 40.827 38.460 -0.028 0.000 1.170 376 Y HN 0.437 nan 8.280 nan 0.000 0.447 377 P HA 0.121 nan 4.420 nan 0.000 0.247 377 P C -0.946 176.106 177.300 -0.413 0.000 1.756 377 P CA 0.127 62.995 63.100 -0.387 0.000 1.117 377 P CB 0.247 31.743 31.700 -0.340 0.000 1.869 378 E N 2.041 122.172 120.200 -0.115 0.000 2.229 378 E HA 0.215 4.568 4.350 0.004 0.000 0.283 378 E C -0.423 176.210 176.600 0.055 0.000 1.030 378 E CA -0.737 55.701 56.400 0.063 0.000 0.836 378 E CB 0.763 30.598 29.700 0.224 0.000 1.068 378 E HN 0.051 nan 8.360 nan 0.000 0.401 379 V N 5.102 125.054 119.914 0.064 0.000 2.508 379 V HA 0.007 4.130 4.120 0.004 0.000 0.281 379 V C 0.323 176.477 176.094 0.100 0.000 1.041 379 V CA -0.430 61.919 62.300 0.081 0.000 1.016 379 V CB 1.177 33.047 31.823 0.078 0.000 0.984 379 V HN 0.506 nan 8.190 nan 0.000 0.478 380 V N 6.057 126.025 119.914 0.091 0.000 2.599 380 V HA 0.214 4.337 4.120 0.004 0.000 0.300 380 V C 0.581 176.707 176.094 0.054 0.000 1.034 380 V CA 0.771 63.098 62.300 0.045 0.000 1.115 380 V CB 0.755 32.569 31.823 -0.015 0.000 0.934 380 V HN 1.140 nan 8.190 nan 0.000 0.485 381 T N 6.727 121.317 114.554 0.059 0.000 2.894 381 T HA 0.355 4.708 4.350 0.004 0.000 0.309 381 T C -2.233 172.476 174.700 0.016 0.000 1.208 381 T CA -1.024 61.133 62.100 0.097 0.000 1.016 381 T CB 2.034 71.037 68.868 0.226 0.000 1.192 381 T HN 0.379 nan 8.240 nan 0.000 0.491 382 P HA -0.094 nan 4.420 nan 0.000 0.229 382 P C 0.544 177.767 177.300 -0.128 0.000 1.150 382 P CA 1.102 64.184 63.100 -0.030 0.000 0.765 382 P CB -0.181 31.492 31.700 -0.044 0.000 0.783 383 Y N 1.288 121.628 120.300 0.067 0.000 2.395 383 Y HA -0.081 4.471 4.550 0.004 0.000 0.293 383 Y C 1.959 177.875 175.900 0.028 0.000 1.123 383 Y CA 1.054 59.179 58.100 0.041 0.000 1.227 383 Y CB -0.550 37.933 38.460 0.038 0.000 1.012 383 Y HN 0.179 nan 8.280 nan 0.000 0.552 384 N N -2.126 116.665 118.700 0.152 0.000 2.113 384 N HA 0.015 4.757 4.740 0.004 0.000 0.223 384 N C 1.023 176.550 175.510 0.028 0.000 1.310 384 N CA 0.025 53.130 53.050 0.091 0.000 0.896 384 N CB -0.687 37.864 38.487 0.106 0.000 1.097 384 N HN 0.096 nan 8.380 nan 0.000 0.507 385 I N 1.617 122.176 120.570 -0.019 0.000 2.145 385 I HA -0.277 3.895 4.170 0.004 0.000 0.244 385 I C 0.904 176.990 176.117 -0.050 0.000 1.075 385 I CA 1.783 63.032 61.300 -0.085 0.000 1.332 385 I CB -0.560 37.324 38.000 -0.194 0.000 1.033 385 I HN 0.129 nan 8.210 nan 0.000 0.410 386 D N -0.210 120.176 120.400 -0.025 0.000 2.149 386 D HA -0.201 4.441 4.640 0.004 0.000 0.198 386 D C 2.336 178.634 176.300 -0.003 0.000 0.990 386 D CA 1.085 55.077 54.000 -0.013 0.000 0.839 386 D CB -0.115 40.686 40.800 0.002 0.000 0.948 386 D HN 0.310 nan 8.370 nan 0.000 0.460 387 R N -0.036 120.468 120.500 0.007 0.000 2.055 387 R HA 0.107 4.450 4.340 0.004 0.000 0.221 387 R C 2.239 178.544 176.300 0.008 0.000 1.154 387 R CA 0.304 56.410 56.100 0.011 0.000 0.975 387 R CB -0.406 29.907 30.300 0.021 0.000 0.869 387 R HN 0.116 nan 8.270 nan 0.000 0.437 388 L N 0.946 122.176 121.223 0.012 0.000 2.261 388 L HA -0.152 4.191 4.340 0.004 0.000 0.216 388 L C 2.001 178.875 176.870 0.007 0.000 1.114 388 L CA 1.457 56.306 54.840 0.016 0.000 0.777 388 L CB -0.244 41.832 42.059 0.027 0.000 0.910 388 L HN 0.398 nan 8.230 nan 0.000 0.440 389 T N -1.992 112.558 114.554 -0.006 0.000 2.851 389 T HA -0.202 4.151 4.350 0.004 0.000 0.262 389 T C 1.767 176.466 174.700 -0.002 0.000 1.043 389 T CA 0.918 63.014 62.100 -0.007 0.000 1.140 389 T CB -0.086 68.767 68.868 -0.025 0.000 0.872 389 T HN 0.156 nan 8.240 nan 0.000 0.446 390 Q N 0.854 120.653 119.800 -0.002 0.000 2.291 390 Q HA 0.078 4.420 4.340 0.004 0.000 0.205 390 Q C 1.954 177.954 176.000 0.001 0.000 0.970 390 Q CA 1.095 56.897 55.803 -0.000 0.000 0.876 390 Q CB -0.706 28.032 28.738 0.000 0.000 0.935 390 Q HN 0.516 nan 8.270 nan 0.000 0.455 391 L N -1.258 119.966 121.223 0.002 0.000 1.988 391 L HA -0.158 4.185 4.340 0.004 0.000 0.207 391 L C 2.199 179.067 176.870 -0.003 0.000 1.071 391 L CA 1.136 55.977 54.840 0.001 0.000 0.744 391 L CB -0.777 41.282 42.059 0.001 0.000 0.893 391 L HN 0.085 nan 8.230 nan 0.000 0.433 392 V N -0.061 119.850 119.914 -0.005 0.000 2.380 392 V HA -0.319 3.803 4.120 0.004 0.000 0.251 392 V C 2.679 178.769 176.094 -0.007 0.000 1.063 392 V CA 1.750 64.045 62.300 -0.009 0.000 1.055 392 V CB -0.780 31.050 31.823 0.012 0.000 0.657 392 V HN 0.416 nan 8.190 nan 0.000 0.455 393 R N 0.143 120.643 120.500 -0.000 0.000 2.081 393 R HA -0.132 4.211 4.340 0.004 0.000 0.235 393 R C 2.115 178.415 176.300 0.000 0.000 1.131 393 R CA 1.525 57.625 56.100 0.001 0.000 0.960 393 R CB -0.521 29.781 30.300 0.003 0.000 0.856 393 R HN 0.515 nan 8.270 nan 0.000 0.436 394 N N 0.167 118.869 118.700 0.004 0.000 2.519 394 N HA -0.053 4.690 4.740 0.004 0.000 0.186 394 N C 0.864 176.383 175.510 0.015 0.000 1.062 394 N CA 1.113 54.169 53.050 0.010 0.000 0.910 394 N CB -0.104 38.393 38.487 0.016 0.000 0.958 394 N HN 0.361 nan 8.380 nan 0.000 0.445 395 G N 0.601 109.402 108.800 0.002 0.000 2.877 395 G HA2 -0.206 3.756 3.960 0.004 0.000 0.279 395 G HA3 -0.206 3.756 3.960 0.004 0.000 0.279 395 G C -2.521 172.400 174.900 0.034 0.000 1.431 395 G CA -0.641 44.450 45.100 -0.014 0.000 0.883 395 G HN 0.110 nan 8.290 nan 0.000 0.547 396 P HA 0.257 nan 4.420 nan 0.000 0.220 396 P C 0.372 177.733 177.300 0.101 0.000 1.793 396 P CA 0.033 63.187 63.100 0.091 0.000 0.917 396 P CB 0.093 31.743 31.700 -0.084 0.000 1.755 397 N N -0.615 118.132 118.700 0.078 0.000 2.631 397 N HA 0.049 4.792 4.740 0.004 0.000 0.255 397 N C 0.388 175.892 175.510 -0.009 0.000 1.037 397 N CA 0.302 53.361 53.050 0.015 0.000 0.919 397 N CB 0.155 38.639 38.487 -0.005 0.000 1.708 397 N HN 0.173 nan 8.380 nan 0.000 0.530 398 E N 0.236 120.439 120.200 0.004 0.000 2.392 398 E HA 0.007 4.359 4.350 0.004 0.000 0.256 398 E C 0.441 177.018 176.600 -0.038 0.000 1.145 398 E CA -0.123 56.274 56.400 -0.006 0.000 0.929 398 E CB 1.096 30.800 29.700 0.007 0.000 0.998 398 E HN 0.293 nan 8.360 nan 0.000 0.442 399 H N 2.026 121.014 119.070 -0.135 0.000 2.253 399 H HA -0.017 4.541 4.556 0.003 0.000 0.299 399 H C -1.531 173.719 175.328 -0.130 0.000 1.064 399 H CA 0.976 56.890 56.048 -0.223 0.000 1.264 399 H CB -0.966 28.710 29.762 -0.144 0.000 1.371 399 H HN 0.263 nan 8.280 nan 0.000 0.493 400 P HA 0.239 nan 4.420 nan 0.000 0.271 400 P C -0.457 176.823 177.300 -0.033 0.000 1.380 400 P CA 0.816 63.729 63.100 -0.312 0.000 0.992 400 P CB 0.839 32.450 31.700 -0.149 0.000 1.230 401 G N 1.569 110.484 108.800 0.192 0.000 2.570 401 G HA2 0.744 4.706 3.960 0.004 0.000 0.310 401 G HA3 0.744 4.706 3.960 0.004 0.000 0.310 401 G C -1.950 172.910 174.900 -0.067 0.000 1.266 401 G CA -0.139 45.064 45.100 0.172 0.000 0.825 401 G HN 0.467 nan 8.290 nan 0.000 0.483 402 A N -0.996 121.664 122.820 -0.267 0.000 2.602 402 A HA 0.820 5.142 4.320 0.004 0.000 0.290 402 A C -0.182 177.181 177.584 -0.369 0.000 1.114 402 A CA 0.256 52.051 52.037 -0.404 0.000 0.683 402 A CB 1.558 20.465 19.000 -0.155 0.000 1.281 402 A HN 1.372 nan 8.150 nan 0.000 0.416 403 K N -0.773 119.434 120.400 -0.321 0.000 2.533 403 K HA 0.519 4.842 4.320 0.004 0.000 0.202 403 K C -1.321 174.935 176.600 -0.573 0.000 1.096 403 K CA -0.053 55.994 56.287 -0.401 0.000 1.056 403 K CB 0.448 32.710 32.500 -0.397 0.000 0.890 403 K HN 0.568 nan 8.250 nan 0.000 0.552 404 Y N -0.431 119.817 120.300 -0.087 0.000 2.565 404 Y HA 0.361 4.916 4.550 0.008 0.000 0.330 404 Y C -1.419 174.446 175.900 -0.058 0.000 1.150 404 Y CA -1.234 56.827 58.100 -0.065 0.000 1.055 404 Y CB 2.559 40.991 38.460 -0.046 0.000 1.337 404 Y HN -0.253 nan 8.280 nan 0.000 0.457 405 V N 4.634 124.624 119.914 0.127 0.000 2.524 405 V HA 0.450 4.573 4.120 0.004 0.000 0.297 405 V C -0.650 175.396 176.094 -0.081 0.000 1.035 405 V CA -0.693 61.624 62.300 0.029 0.000 0.867 405 V CB 1.670 33.505 31.823 0.019 0.000 1.004 405 V HN 0.556 nan 8.190 nan 0.000 0.426 406 I N 2.258 122.756 120.570 -0.121 0.000 2.388 406 I HA 0.618 4.791 4.170 0.004 0.000 0.281 406 I C 0.428 176.293 176.117 -0.421 0.000 1.046 406 I CA -0.694 60.473 61.300 -0.223 0.000 1.187 406 I CB 0.704 38.620 38.000 -0.141 0.000 1.351 406 I HN 0.464 nan 8.210 nan 0.000 0.472 407 R N 3.151 123.165 120.500 -0.809 0.000 2.861 407 R HA 0.007 4.350 4.340 0.004 0.000 0.268 407 R C 0.946 176.932 176.300 -0.524 0.000 1.027 407 R CA -0.011 55.219 56.100 -1.451 0.000 1.163 407 R CB 0.429 29.935 30.300 -1.323 0.000 1.060 407 R HN 0.698 nan 8.270 nan 0.000 0.483 408 D N 0.167 120.479 120.400 -0.146 0.000 2.378 408 D HA -0.135 4.507 4.640 0.004 0.000 0.227 408 D C 1.113 177.426 176.300 0.022 0.000 1.012 408 D CA 0.953 55.009 54.000 0.093 0.000 0.905 408 D CB -0.167 40.796 40.800 0.272 0.000 0.895 408 D HN 0.459 nan 8.370 nan 0.000 0.532 409 S N 0.128 115.802 115.700 -0.043 0.000 2.345 409 S HA 0.185 4.657 4.470 0.004 0.000 0.219 409 S C 1.690 176.266 174.600 -0.039 0.000 1.031 409 S CA 0.650 58.833 58.200 -0.029 0.000 0.984 409 S CB -0.537 62.635 63.200 -0.046 0.000 0.874 409 S HN 0.685 nan 8.310 nan 0.000 0.451 410 G N 0.659 109.415 108.800 -0.073 0.000 2.511 410 G HA2 0.306 4.268 3.960 0.004 0.000 0.230 410 G HA3 0.306 4.268 3.960 0.004 0.000 0.230 410 G C -1.025 173.833 174.900 -0.069 0.000 1.264 410 G CA -0.155 44.911 45.100 -0.057 0.000 0.866 410 G HN 0.681 nan 8.290 nan 0.000 0.523 411 D N -0.527 119.812 120.400 -0.103 0.000 2.721 411 D HA 0.301 4.944 4.640 0.004 0.000 0.221 411 D C 0.311 176.535 176.300 -0.126 0.000 1.208 411 D CA -0.591 53.351 54.000 -0.097 0.000 0.755 411 D CB 1.129 41.883 40.800 -0.078 0.000 1.732 411 D HN 0.483 nan 8.370 nan 0.000 0.490 412 R N 2.343 122.782 120.500 -0.101 0.000 2.528 412 R HA 0.707 5.050 4.340 0.004 0.000 0.271 412 R C 0.051 176.344 176.300 -0.012 0.000 1.056 412 R CA -0.788 55.260 56.100 -0.086 0.000 1.117 412 R CB 1.073 31.288 30.300 -0.143 0.000 1.085 412 R HN 0.352 nan 8.270 nan 0.000 0.530 413 I N 1.129 121.724 120.570 0.042 0.000 2.382 413 I HA 0.103 4.276 4.170 0.004 0.000 0.285 413 I C -0.566 175.649 176.117 0.163 0.000 1.007 413 I CA -0.738 60.599 61.300 0.061 0.000 1.142 413 I CB 1.641 39.630 38.000 -0.018 0.000 1.289 413 I HN 0.442 nan 8.210 nan 0.000 0.453 414 D N 6.807 127.297 120.400 0.150 0.000 2.365 414 D HA 0.213 4.856 4.640 0.004 0.000 0.237 414 D C 0.989 177.211 176.300 -0.131 0.000 1.190 414 D CA -0.030 53.978 54.000 0.014 0.000 0.867 414 D CB 1.216 42.098 40.800 0.137 0.000 1.050 414 D HN 0.464 nan 8.370 nan 0.000 0.491 415 L N 3.877 124.953 121.223 -0.245 0.000 2.191 415 L HA -0.146 4.197 4.340 0.004 0.000 0.212 415 L C 2.458 179.192 176.870 -0.227 0.000 1.103 415 L CA 0.705 55.433 54.840 -0.187 0.000 0.769 415 L CB -0.229 41.721 42.059 -0.181 0.000 0.908 415 L HN 0.415 nan 8.230 nan 0.000 0.438 416 R N -0.676 119.580 120.500 -0.407 0.000 2.237 416 R HA -0.087 4.256 4.340 0.004 0.000 0.219 416 R C 0.408 176.396 176.300 -0.519 0.000 1.080 416 R CA 0.785 56.582 56.100 -0.504 0.000 0.995 416 R CB -0.316 29.570 30.300 -0.690 0.000 0.875 416 R HN 0.316 nan 8.270 nan 0.000 0.462 417 Y N 0.414 120.682 120.300 -0.053 0.000 3.310 417 Y HA 0.282 4.830 4.550 -0.004 0.000 0.309 417 Y C 0.369 176.255 175.900 -0.024 0.000 1.629 417 Y CA -0.907 57.175 58.100 -0.029 0.000 0.862 417 Y CB 0.168 38.618 38.460 -0.018 0.000 1.296 417 Y HN 0.032 nan 8.280 nan 0.000 0.737 418 S N 0.867 116.682 115.700 0.192 0.000 3.179 418 S HA -0.174 4.299 4.470 0.004 0.000 0.739 418 S C 0.429 175.064 174.600 0.058 0.000 0.754 418 S CA 0.347 58.602 58.200 0.091 0.000 1.436 418 S CB -0.524 62.712 63.200 0.060 0.000 1.035 418 S HN 0.764 nan 8.310 nan 0.000 0.743 419 K N 3.876 124.303 120.400 0.046 0.000 2.362 419 K HA -0.105 4.218 4.320 0.004 0.000 0.202 419 K C 1.102 177.718 176.600 0.027 0.000 1.045 419 K CA 1.540 57.846 56.287 0.033 0.000 0.936 419 K CB -0.192 32.323 32.500 0.025 0.000 0.747 419 K HN 0.634 nan 8.250 nan 0.000 0.467 420 R N 0.307 120.823 120.500 0.026 0.000 3.130 420 R HA 0.272 4.615 4.340 0.004 0.000 0.348 420 R C 0.714 177.026 176.300 0.020 0.000 1.241 420 R CA -0.012 56.102 56.100 0.024 0.000 1.141 420 R CB 0.935 31.250 30.300 0.026 0.000 1.453 420 R HN 0.256 nan 8.270 nan 0.000 0.590 421 A N 0.021 122.849 122.820 0.013 0.000 1.935 421 A HA 0.042 4.365 4.320 0.004 0.000 0.214 421 A C 2.027 179.615 177.584 0.006 0.000 1.178 421 A CA 1.328 53.366 52.037 0.002 0.000 0.640 421 A CB -0.149 18.844 19.000 -0.013 0.000 0.825 421 A HN 0.486 nan 8.150 nan 0.000 0.447 422 G N -0.451 108.355 108.800 0.010 0.000 2.430 422 G HA2 -0.051 3.912 3.960 0.004 0.000 0.216 422 G HA3 -0.051 3.912 3.960 0.004 0.000 0.216 422 G C 1.059 175.968 174.900 0.015 0.000 1.146 422 G CA 1.116 46.222 45.100 0.010 0.000 0.793 422 G HN 0.560 nan 8.290 nan 0.000 0.537 423 D N -0.457 119.955 120.400 0.020 0.000 1.850 423 D HA 0.137 4.779 4.640 0.004 0.000 0.296 423 D C 0.745 177.066 176.300 0.035 0.000 1.035 423 D CA -0.047 53.968 54.000 0.026 0.000 0.860 423 D CB 0.102 40.920 40.800 0.029 0.000 1.144 423 D HN 0.028 nan 8.370 nan 0.000 0.423 424 I N 0.282 120.882 120.570 0.051 0.000 8.555 424 I HA -0.234 3.939 4.170 0.004 0.000 0.126 424 I C -1.002 175.167 176.117 0.086 0.000 1.837 424 I CA 0.049 61.397 61.300 0.081 0.000 2.075 424 I CB -0.065 37.978 38.000 0.071 0.000 3.814 424 I HN 0.386 nan 8.210 nan 0.000 0.181 425 Q N 7.581 127.453 119.800 0.121 0.000 2.278 425 Q HA 0.551 4.894 4.340 0.004 0.000 0.257 425 Q C -0.322 175.747 176.000 0.114 0.000 0.928 425 Q CA -0.768 55.077 55.803 0.070 0.000 0.932 425 Q CB 2.172 30.932 28.738 0.037 0.000 1.221 425 Q HN 0.524 nan 8.270 nan 0.000 0.434 426 L N 1.932 123.154 121.223 -0.002 0.000 2.439 426 L HA 0.260 4.602 4.340 0.004 0.000 0.261 426 L C 0.520 177.095 176.870 -0.491 0.000 1.153 426 L CA -0.209 54.591 54.840 -0.066 0.000 0.808 426 L CB 0.650 42.674 42.059 -0.057 0.000 1.126 426 L HN 0.456 nan 8.230 nan 0.000 0.460 427 Q N 0.662 119.916 119.800 -0.910 0.000 2.423 427 Q HA 0.304 4.647 4.340 0.004 0.000 0.278 427 Q C -1.532 174.034 176.000 -0.724 0.000 1.097 427 Q CA -0.876 54.300 55.803 -1.044 0.000 0.809 427 Q CB 2.301 30.108 28.738 -1.553 0.000 1.391 427 Q HN 0.349 nan 8.270 nan 0.000 0.428 428 Y N 0.454 120.511 120.300 -0.404 0.000 2.683 428 Y HA 0.237 4.790 4.550 0.006 0.000 0.355 428 Y C 1.326 177.106 175.900 -0.199 0.000 1.199 428 Y CA 1.333 59.292 58.100 -0.233 0.000 1.654 428 Y CB -0.142 38.210 38.460 -0.179 0.000 1.361 428 Y HN 0.973 nan 8.280 nan 0.000 0.493 429 G N 0.521 109.308 108.800 -0.021 0.000 2.425 429 G HA2 -0.188 3.774 3.960 0.004 0.000 0.177 429 G HA3 -0.188 3.774 3.960 0.004 0.000 0.177 429 G C -0.332 174.692 174.900 0.207 0.000 0.999 429 G CA -0.980 44.163 45.100 0.072 0.000 0.723 429 G HN 0.337 nan 8.290 nan 0.000 0.491 430 W N 1.556 122.862 121.300 0.011 0.000 2.215 430 W HA 0.689 5.351 4.660 0.004 0.000 0.342 430 W C 0.553 177.068 176.519 -0.006 0.000 1.237 430 W CA -0.950 56.395 57.345 -0.001 0.000 1.283 430 W CB 0.489 29.943 29.460 -0.010 0.000 1.131 430 W HN -0.094 nan 8.180 nan 0.000 0.606 431 K N 1.454 121.978 120.400 0.208 0.000 2.281 431 K HA 0.380 4.703 4.320 0.004 0.000 0.272 431 K C -0.658 175.990 176.600 0.080 0.000 1.048 431 K CA -0.583 55.759 56.287 0.092 0.000 0.898 431 K CB 1.202 33.713 32.500 0.018 0.000 1.128 431 K HN 0.036 nan 8.250 nan 0.000 0.460 432 V N 3.595 123.557 119.914 0.081 0.000 2.461 432 V HA 0.047 4.170 4.120 0.004 0.000 0.275 432 V C 0.319 176.436 176.094 0.038 0.000 1.047 432 V CA -0.350 61.990 62.300 0.067 0.000 0.955 432 V CB 0.966 32.828 31.823 0.066 0.000 0.988 432 V HN 0.693 nan 8.190 nan 0.000 0.471 433 E N 5.566 125.797 120.200 0.052 0.000 1.986 433 E HA 0.258 4.611 4.350 0.004 0.000 0.264 433 E C 0.085 176.693 176.600 0.014 0.000 1.023 433 E CA -0.363 56.072 56.400 0.059 0.000 0.834 433 E CB 0.822 30.617 29.700 0.159 0.000 1.111 433 E HN 0.683 nan 8.360 nan 0.000 0.417 434 R N 1.637 122.148 120.500 0.017 0.000 2.553 434 R HA 0.329 4.672 4.340 0.004 0.000 0.263 434 R C 0.198 176.480 176.300 -0.030 0.000 1.066 434 R CA -0.677 55.398 56.100 -0.042 0.000 1.135 434 R CB 0.719 31.041 30.300 0.036 0.000 1.148 434 R HN 0.315 nan 8.270 nan 0.000 0.558 435 H N 0.390 119.489 119.070 0.049 0.000 2.745 435 H HA 0.079 4.637 4.556 0.002 0.000 0.373 435 H C 0.503 175.888 175.328 0.094 0.000 1.226 435 H CA -0.151 55.936 56.048 0.064 0.000 1.435 435 H CB 0.506 30.264 29.762 -0.006 0.000 1.461 435 H HN 0.327 nan 8.280 nan 0.000 0.616 436 I N 2.553 123.293 120.570 0.282 0.000 2.710 436 I HA -0.066 4.106 4.170 0.004 0.000 0.286 436 I C 0.967 177.211 176.117 0.211 0.000 1.181 436 I CA 0.813 62.237 61.300 0.206 0.000 1.430 436 I CB -0.418 37.696 38.000 0.189 0.000 1.367 436 I HN 0.357 nan 8.210 nan 0.000 0.577 437 M N 3.384 123.061 119.600 0.128 0.000 2.761 437 M HA 0.333 4.815 4.480 0.004 0.000 0.305 437 M C -0.497 175.863 176.300 0.100 0.000 1.235 437 M CA -1.092 54.285 55.300 0.129 0.000 0.850 437 M CB 1.384 34.015 32.600 0.053 0.000 1.744 437 M HN 0.310 nan 8.290 nan 0.000 0.480 438 D N 2.139 122.605 120.400 0.110 0.000 2.533 438 D HA 0.033 4.676 4.640 0.004 0.000 0.236 438 D C -0.193 176.124 176.300 0.027 0.000 1.137 438 D CA 1.341 55.379 54.000 0.062 0.000 0.867 438 D CB 0.054 40.889 40.800 0.059 0.000 1.170 438 D HN 0.508 nan 8.370 nan 0.000 0.474 439 N N 1.336 120.045 118.700 0.015 0.000 2.816 439 N HA -0.164 4.578 4.740 0.004 0.000 0.247 439 N C -1.122 174.372 175.510 -0.026 0.000 1.100 439 N CA 0.585 53.633 53.050 -0.002 0.000 0.687 439 N CB -0.816 37.669 38.487 -0.003 0.000 1.003 439 N HN 0.449 nan 8.380 nan 0.000 0.554 440 D N 0.113 120.496 120.400 -0.029 0.000 2.277 440 D HA 0.503 5.146 4.640 0.004 0.000 0.250 440 D C -2.246 174.030 176.300 -0.041 0.000 1.032 440 D CA -1.436 52.519 54.000 -0.075 0.000 0.947 440 D CB 1.157 41.902 40.800 -0.092 0.000 1.159 440 D HN -0.012 nan 8.370 nan 0.000 0.460 441 P HA 0.242 nan 4.420 nan 0.000 0.293 441 P C -1.001 176.318 177.300 0.032 0.000 1.300 441 P CA -0.600 62.498 63.100 -0.003 0.000 0.792 441 P CB 1.097 32.788 31.700 -0.016 0.000 0.925 442 V N 1.887 121.850 119.914 0.082 0.000 2.638 442 V HA 0.405 4.527 4.120 0.004 0.000 0.306 442 V C -0.449 175.752 176.094 0.179 0.000 1.052 442 V CA -1.017 61.352 62.300 0.115 0.000 0.885 442 V CB 2.284 34.161 31.823 0.090 0.000 0.999 442 V HN 0.407 nan 8.190 nan 0.000 0.424 443 L N 4.974 126.317 121.223 0.199 0.000 2.369 443 L HA 0.468 4.810 4.340 0.004 0.000 0.279 443 L C -1.044 175.999 176.870 0.289 0.000 1.108 443 L CA 0.349 55.337 54.840 0.247 0.000 0.852 443 L CB 0.664 42.856 42.059 0.221 0.000 1.169 443 L HN 0.846 nan 8.230 nan 0.000 0.452 444 F N 6.900 126.905 119.950 0.092 0.000 2.458 444 F HA 0.523 5.052 4.527 0.004 0.000 0.330 444 F C -0.008 175.795 175.800 0.005 0.000 1.082 444 F CA -0.877 57.051 58.000 -0.120 0.000 0.995 444 F CB 1.316 40.057 39.000 -0.432 0.000 1.170 444 F HN 0.652 nan 8.300 nan 0.000 0.478 445 N N 4.290 122.552 118.700 -0.731 0.000 2.710 445 N HA 0.242 4.984 4.740 0.004 0.000 0.257 445 N C -2.156 173.006 175.510 -0.581 0.000 1.140 445 N CA -0.650 52.181 53.050 -0.365 0.000 0.953 445 N CB 2.018 40.481 38.487 -0.041 0.000 1.664 445 N HN 0.833 nan 8.380 nan 0.000 0.497 446 R N 2.386 122.711 120.500 -0.292 0.000 2.562 446 R HA 0.342 4.685 4.340 0.004 0.000 0.298 446 R C -0.910 175.347 176.300 -0.071 0.000 0.961 446 R CA -0.305 55.657 56.100 -0.230 0.000 0.881 446 R CB 1.536 31.714 30.300 -0.203 0.000 1.159 446 R HN 0.608 nan 8.270 nan 0.000 0.450 447 Q N 3.216 122.969 119.800 -0.078 0.000 2.214 447 Q HA 0.388 4.730 4.340 0.004 0.000 0.251 447 Q C -2.200 173.776 176.000 -0.040 0.000 0.936 447 Q CA -2.002 53.776 55.803 -0.041 0.000 0.894 447 Q CB 1.358 30.076 28.738 -0.034 0.000 1.252 447 Q HN 0.432 nan 8.270 nan 0.000 0.448 448 P HA 0.096 nan 4.420 nan 0.000 0.282 448 P C -1.228 176.050 177.300 -0.036 0.000 1.274 448 P CA -0.335 62.746 63.100 -0.033 0.000 0.770 448 P CB 0.842 32.520 31.700 -0.037 0.000 0.867 449 S N 3.793 119.479 115.700 -0.024 0.000 2.411 449 S HA 0.312 4.785 4.470 0.004 0.000 0.304 449 S C 0.230 174.807 174.600 -0.039 0.000 1.098 449 S CA -0.509 57.682 58.200 -0.015 0.000 1.068 449 S CB -0.344 62.861 63.200 0.007 0.000 1.032 449 S HN 0.316 nan 8.310 nan 0.000 0.511 450 L N 0.581 121.754 121.223 -0.084 0.000 2.861 450 L HA 0.594 4.937 4.340 0.004 0.000 0.290 450 L C -0.514 176.256 176.870 -0.166 0.000 1.346 450 L CA -0.411 54.355 54.840 -0.123 0.000 0.779 450 L CB -1.127 40.838 42.059 -0.157 0.000 1.143 450 L HN 0.617 nan 8.230 nan 0.000 0.548 451 H N -1.123 117.911 119.070 -0.061 0.000 3.016 451 H HA 0.426 4.985 4.556 0.004 0.000 0.362 451 H C 0.107 175.392 175.328 -0.073 0.000 1.233 451 H CA -0.850 55.150 56.048 -0.080 0.000 1.124 451 H CB 2.554 32.261 29.762 -0.092 0.000 1.850 451 H HN 0.028 nan 8.280 nan 0.000 0.549 452 K N 0.988 121.417 120.400 0.050 0.000 2.057 452 K HA -0.130 4.192 4.320 0.004 0.000 0.207 452 K C 1.554 178.124 176.600 -0.051 0.000 1.049 452 K CA 1.669 57.945 56.287 -0.018 0.000 0.931 452 K CB -0.025 32.443 32.500 -0.054 0.000 0.714 452 K HN 0.433 nan 8.250 nan 0.000 0.440 453 M N 0.498 120.021 119.600 -0.127 0.000 2.195 453 M HA -0.149 4.333 4.480 0.004 0.000 0.260 453 M C 2.136 178.297 176.300 -0.231 0.000 1.066 453 M CA 1.318 56.475 55.300 -0.237 0.000 1.089 453 M CB -0.419 31.963 32.600 -0.364 0.000 1.377 453 M HN -0.067 nan 8.290 nan 0.000 0.411 454 S N -0.600 115.097 115.700 -0.006 0.000 2.507 454 S HA 0.109 4.581 4.470 0.004 0.000 0.235 454 S C 0.585 175.267 174.600 0.138 0.000 0.988 454 S CA 0.674 58.916 58.200 0.069 0.000 0.944 454 S CB -0.076 63.175 63.200 0.086 0.000 0.762 454 S HN 0.340 nan 8.310 nan 0.000 0.526 455 M N 1.317 120.965 119.600 0.081 0.000 2.124 455 M HA 0.443 4.926 4.480 0.004 0.000 0.280 455 M C -1.410 174.968 176.300 0.132 0.000 0.954 455 M CA 0.134 55.526 55.300 0.154 0.000 0.958 455 M CB 2.009 34.669 32.600 0.099 0.000 1.611 455 M HN 0.100 nan 8.290 nan 0.000 0.449 456 M N 1.812 121.576 119.600 0.274 0.000 2.433 456 M HA 0.668 5.150 4.480 0.004 0.000 0.290 456 M C -0.476 176.060 176.300 0.394 0.000 1.173 456 M CA -0.690 54.754 55.300 0.240 0.000 0.905 456 M CB 2.603 35.284 32.600 0.135 0.000 1.692 456 M HN 0.718 nan 8.290 nan 0.000 0.462 457 A N 1.888 124.843 122.820 0.225 0.000 2.351 457 A HA 0.627 4.949 4.320 0.004 0.000 0.257 457 A C -0.740 176.963 177.584 0.197 0.000 1.087 457 A CA 0.022 52.194 52.037 0.226 0.000 0.798 457 A CB 0.363 19.425 19.000 0.104 0.000 1.033 457 A HN 0.914 nan 8.150 nan 0.000 0.488 458 H N -0.010 119.102 119.070 0.069 0.000 2.931 458 H HA 0.457 5.016 4.556 0.005 0.000 0.331 458 H C -0.851 174.470 175.328 -0.011 0.000 1.273 458 H CA -0.865 55.193 56.048 0.017 0.000 1.171 458 H CB 1.672 31.404 29.762 -0.051 0.000 1.898 458 H HN 0.665 nan 8.280 nan 0.000 0.562 459 R N 1.165 121.723 120.500 0.097 0.000 2.320 459 R HA 0.289 4.632 4.340 0.004 0.000 0.319 459 R C -0.805 175.514 176.300 0.032 0.000 0.969 459 R CA -0.643 55.482 56.100 0.041 0.000 0.857 459 R CB 1.652 31.961 30.300 0.016 0.000 1.160 459 R HN 0.167 nan 8.270 nan 0.000 0.491 460 V N 4.151 124.079 119.914 0.022 0.000 2.493 460 V HA -0.028 4.095 4.120 0.004 0.000 0.292 460 V C 0.539 176.642 176.094 0.014 0.000 1.016 460 V CA 0.635 62.944 62.300 0.014 0.000 1.097 460 V CB 0.362 32.206 31.823 0.033 0.000 0.947 460 V HN 0.492 nan 8.190 nan 0.000 0.479 461 K N 5.347 125.747 120.400 0.000 0.000 2.527 461 K HA 0.325 4.648 4.320 0.004 0.000 0.240 461 K C -0.919 175.664 176.600 -0.029 0.000 0.989 461 K CA -0.517 55.769 56.287 -0.003 0.000 0.985 461 K CB 1.443 33.943 32.500 -0.000 0.000 1.221 461 K HN 0.464 nan 8.250 nan 0.000 0.458 462 V N 6.353 126.239 119.914 -0.048 0.000 2.540 462 V HA 0.135 4.257 4.120 0.004 0.000 0.297 462 V C 0.751 176.760 176.094 -0.142 0.000 1.024 462 V CA -0.000 62.216 62.300 -0.140 0.000 1.105 462 V CB -0.353 31.279 31.823 -0.319 0.000 0.938 462 V HN 0.540 nan 8.190 nan 0.000 0.482 463 I N 4.017 124.510 120.570 -0.129 0.000 3.145 463 I HA 0.736 4.909 4.170 0.004 0.000 0.313 463 I C -2.551 173.513 176.117 -0.088 0.000 1.122 463 I CA -2.625 58.628 61.300 -0.079 0.000 0.987 463 I CB 2.104 40.090 38.000 -0.023 0.000 1.236 463 I HN 0.320 nan 8.210 nan 0.000 0.453 464 P HA 0.205 nan 4.420 nan 0.000 0.293 464 P C -1.294 176.022 177.300 0.027 0.000 1.298 464 P CA -0.006 63.039 63.100 -0.092 0.000 0.757 464 P CB 0.148 31.763 31.700 -0.142 0.000 1.262 465 Y N -2.660 117.583 120.300 -0.095 0.000 2.531 465 Y HA -0.203 4.351 4.550 0.007 0.000 0.024 465 Y C 1.367 177.195 175.900 -0.120 0.000 1.726 465 Y CA 0.756 58.800 58.100 -0.092 0.000 1.401 465 Y CB -1.920 36.492 38.460 -0.079 0.000 2.048 465 Y HN 0.341 nan 8.280 nan 0.000 0.258 466 S N -0.877 114.841 115.700 0.029 0.000 2.754 466 S HA 0.193 4.666 4.470 0.004 0.000 0.223 466 S C 0.357 174.888 174.600 -0.114 0.000 0.951 466 S CA 0.138 58.294 58.200 -0.073 0.000 0.954 466 S CB -0.481 62.684 63.200 -0.059 0.000 0.780 466 S HN 0.749 nan 8.310 nan 0.000 0.509 467 T N -0.615 113.891 114.554 -0.081 0.000 2.902 467 T HA 0.650 5.003 4.350 0.004 0.000 0.283 467 T C -0.350 174.269 174.700 -0.135 0.000 1.009 467 T CA -0.888 61.164 62.100 -0.079 0.000 1.051 467 T CB 0.530 69.389 68.868 -0.014 0.000 0.999 467 T HN 0.145 nan 8.240 nan 0.000 0.474 468 F N 1.563 121.520 119.950 0.012 0.000 2.443 468 F HA 0.401 4.931 4.527 0.006 0.000 0.353 468 F C 1.504 177.286 175.800 -0.029 0.000 1.101 468 F CA -0.473 57.519 58.000 -0.014 0.000 1.226 468 F CB 0.814 39.862 39.000 0.081 0.000 1.140 468 F HN 0.299 nan 8.300 nan 0.000 0.557 469 R N 4.318 124.882 120.500 0.106 0.000 2.599 469 R HA 0.741 5.083 4.340 0.004 0.000 0.295 469 R C -1.306 174.995 176.300 0.002 0.000 0.963 469 R CA -0.981 55.131 56.100 0.019 0.000 0.883 469 R CB 1.875 32.155 30.300 -0.033 0.000 1.171 469 R HN 0.523 nan 8.270 nan 0.000 0.450 470 L N -0.688 120.569 121.223 0.058 0.000 2.301 470 L HA 0.624 4.966 4.340 0.004 0.000 0.249 470 L C -0.635 176.316 176.870 0.134 0.000 1.069 470 L CA -1.174 53.737 54.840 0.119 0.000 0.865 470 L CB 0.808 43.007 42.059 0.233 0.000 1.467 470 L HN 0.290 nan 8.230 nan 0.000 0.419 471 N N 0.067 118.864 118.700 0.161 0.000 2.426 471 N HA 0.389 5.132 4.740 0.004 0.000 0.275 471 N C 0.756 176.358 175.510 0.152 0.000 1.019 471 N CA -0.297 52.821 53.050 0.114 0.000 0.941 471 N CB 1.247 39.765 38.487 0.052 0.000 1.123 471 N HN 0.832 nan 8.380 nan 0.000 0.486 472 L N 1.948 123.268 121.223 0.162 0.000 2.085 472 L HA -0.266 4.077 4.340 0.004 0.000 0.218 472 L C 1.813 178.756 176.870 0.122 0.000 1.080 472 L CA 1.373 56.332 54.840 0.198 0.000 0.776 472 L CB -0.428 41.729 42.059 0.163 0.000 0.891 472 L HN 0.487 nan 8.230 nan 0.000 0.437 473 S N -1.564 114.162 115.700 0.043 0.000 2.603 473 S HA 0.017 4.490 4.470 0.004 0.000 0.220 473 S C 1.172 175.685 174.600 -0.146 0.000 0.967 473 S CA 0.253 58.422 58.200 -0.052 0.000 0.920 473 S CB 0.383 63.496 63.200 -0.146 0.000 0.773 473 S HN 0.252 nan 8.310 nan 0.000 0.529 474 V N 1.349 121.242 119.914 -0.035 0.000 3.043 474 V HA 0.187 4.310 4.120 0.004 0.000 0.357 474 V C 1.477 177.660 176.094 0.149 0.000 1.372 474 V CA 0.387 62.699 62.300 0.021 0.000 1.214 474 V CB 0.035 31.928 31.823 0.118 0.000 1.224 474 V HN 0.398 nan 8.190 nan 0.000 0.507 475 T N -0.251 114.364 114.554 0.102 0.000 2.976 475 T HA -0.093 4.260 4.350 0.004 0.000 0.257 475 T C 2.082 176.814 174.700 0.053 0.000 1.051 475 T CA 1.853 64.009 62.100 0.093 0.000 1.141 475 T CB 0.065 68.951 68.868 0.030 0.000 0.881 475 T HN 0.773 nan 8.240 nan 0.000 0.461 476 S N 1.209 116.922 115.700 0.022 0.000 2.428 476 S HA 0.066 4.539 4.470 0.004 0.000 0.230 476 S C -0.596 174.005 174.600 0.002 0.000 1.014 476 S CA 0.338 58.545 58.200 0.011 0.000 0.957 476 S CB -1.225 61.980 63.200 0.008 0.000 0.784 476 S HN 0.416 nan 8.310 nan 0.000 0.499 477 P HA 0.039 nan 4.420 nan 0.000 0.215 477 P C 0.831 178.080 177.300 -0.086 0.000 1.157 477 P CA 1.001 64.019 63.100 -0.137 0.000 0.856 477 P CB -0.216 31.305 31.700 -0.299 0.000 0.786 478 Y N -1.346 118.965 120.300 0.019 0.000 2.457 478 Y HA 0.024 4.577 4.550 0.005 0.000 0.292 478 Y C 0.767 176.648 175.900 -0.032 0.000 1.125 478 Y CA 0.349 58.442 58.100 -0.012 0.000 1.254 478 Y CB -0.358 38.077 38.460 -0.042 0.000 1.012 478 Y HN -0.008 nan 8.280 nan 0.000 0.555 479 N N 0.328 119.093 118.700 0.108 0.000 2.688 479 N HA -0.157 4.586 4.740 0.004 0.000 0.261 479 N C -1.111 174.387 175.510 -0.020 0.000 1.116 479 N CA 0.104 53.171 53.050 0.030 0.000 0.689 479 N CB -0.867 37.630 38.487 0.016 0.000 0.882 479 N HN 0.286 nan 8.380 nan 0.000 0.554 480 A N 1.501 124.282 122.820 -0.065 0.000 2.355 480 A HA 0.714 5.036 4.320 0.004 0.000 0.324 480 A C -0.434 176.940 177.584 -0.351 0.000 1.117 480 A CA -0.468 51.455 52.037 -0.189 0.000 0.785 480 A CB 1.290 20.172 19.000 -0.196 0.000 1.254 480 A HN 0.557 nan 8.150 nan 0.000 0.453 481 D N -0.718 119.443 120.400 -0.399 0.000 2.689 481 D HA 0.576 5.218 4.640 0.004 0.000 0.255 481 D C -0.656 175.239 176.300 -0.674 0.000 1.113 481 D CA -0.533 53.154 54.000 -0.522 0.000 1.115 481 D CB 0.312 40.986 40.800 -0.211 0.000 1.334 481 D HN 0.286 nan 8.370 nan 0.000 0.621 482 F N -0.504 119.458 119.950 0.020 0.000 2.805 482 F HA 0.167 4.697 4.527 0.005 0.000 0.317 482 F C 0.607 176.415 175.800 0.012 0.000 1.146 482 F CA -0.693 57.318 58.000 0.020 0.000 1.265 482 F CB 0.420 39.433 39.000 0.022 0.000 0.992 482 F HN 0.118 nan 8.300 nan 0.000 0.511 483 D N -0.454 120.002 120.400 0.093 0.000 2.324 483 D HA 0.200 4.842 4.640 0.004 0.000 0.235 483 D C 1.670 178.001 176.300 0.052 0.000 1.095 483 D CA 0.700 54.738 54.000 0.062 0.000 0.871 483 D CB 0.246 41.059 40.800 0.022 0.000 0.906 483 D HN 0.397 nan 8.370 nan 0.000 0.522 484 G N -0.342 108.500 108.800 0.070 0.000 2.559 484 G HA2 -0.177 3.785 3.960 0.004 0.000 0.202 484 G HA3 -0.177 3.785 3.960 0.004 0.000 0.202 484 G C -0.382 174.549 174.900 0.051 0.000 0.992 484 G CA -0.512 44.622 45.100 0.057 0.000 0.764 484 G HN 0.223 nan 8.290 nan 0.000 0.525 485 D N 1.373 121.799 120.400 0.045 0.000 2.419 485 D HA 0.427 5.069 4.640 0.004 0.000 0.236 485 D C 0.619 176.944 176.300 0.043 0.000 1.165 485 D CA 0.762 54.773 54.000 0.019 0.000 0.882 485 D CB 0.674 41.461 40.800 -0.021 0.000 1.201 485 D HN 0.528 nan 8.370 nan 0.000 0.443 486 E N 0.625 120.830 120.200 0.009 0.000 2.288 486 E HA 0.555 4.907 4.350 0.004 0.000 0.268 486 E C -0.402 176.155 176.600 -0.072 0.000 0.885 486 E CA -0.718 55.696 56.400 0.023 0.000 0.767 486 E CB 2.191 31.910 29.700 0.032 0.000 1.220 486 E HN 0.263 nan 8.360 nan 0.000 0.427 487 M N 1.618 121.149 119.600 -0.114 0.000 2.501 487 M HA 0.395 4.878 4.480 0.004 0.000 0.293 487 M C -1.012 175.045 176.300 -0.406 0.000 1.192 487 M CA -1.091 53.979 55.300 -0.384 0.000 0.886 487 M CB 2.077 34.232 32.600 -0.743 0.000 1.710 487 M HN 0.365 nan 8.290 nan 0.000 0.457 488 N N 1.842 120.279 118.700 -0.439 0.000 2.509 488 N HA 0.657 5.400 4.740 0.004 0.000 0.287 488 N C -1.466 173.779 175.510 -0.442 0.000 1.121 488 N CA -0.405 52.425 53.050 -0.365 0.000 0.977 488 N CB 1.604 39.942 38.487 -0.249 0.000 1.167 488 N HN 0.459 nan 8.380 nan 0.000 0.476 489 L N 2.067 123.055 121.223 -0.392 0.000 2.410 489 L HA 0.388 4.731 4.340 0.004 0.000 0.270 489 L C -1.196 175.476 176.870 -0.331 0.000 0.983 489 L CA -0.479 54.230 54.840 -0.218 0.000 0.822 489 L CB 1.170 43.187 42.059 -0.070 0.000 1.285 489 L HN 0.522 nan 8.230 nan 0.000 0.409 490 H N 4.359 123.493 119.070 0.107 0.000 2.529 490 H HA 0.570 5.129 4.556 0.005 0.000 0.348 490 H C -1.096 174.312 175.328 0.132 0.000 1.079 490 H CA -0.718 55.406 56.048 0.127 0.000 1.198 490 H CB 2.213 32.036 29.762 0.102 0.000 1.521 490 H HN 0.346 nan 8.280 nan 0.000 0.514 491 V N 5.614 125.684 119.914 0.261 0.000 2.347 491 V HA 0.180 4.303 4.120 0.004 0.000 0.280 491 V C -1.821 174.339 176.094 0.109 0.000 1.021 491 V CA -1.631 60.775 62.300 0.177 0.000 0.847 491 V CB 1.234 33.165 31.823 0.181 0.000 0.990 491 V HN 0.626 nan 8.190 nan 0.000 0.444 492 P HA 0.076 nan 4.420 nan 0.000 0.271 492 P C -0.395 176.951 177.300 0.076 0.000 1.238 492 P CA 0.125 63.274 63.100 0.081 0.000 0.794 492 P CB 1.318 33.076 31.700 0.095 0.000 0.959 493 Q N -1.289 118.525 119.800 0.024 0.000 2.123 493 Q HA 0.190 4.532 4.340 0.004 0.000 0.244 493 Q C -0.272 175.646 176.000 -0.137 0.000 0.769 493 Q CA 0.359 56.063 55.803 -0.164 0.000 0.938 493 Q CB 0.563 29.101 28.738 -0.333 0.000 1.170 493 Q HN 0.362 nan 8.270 nan 0.000 0.469 494 S N 0.021 115.740 115.700 0.033 0.000 2.503 494 S HA 0.216 4.689 4.470 0.004 0.000 0.301 494 S C 0.378 175.065 174.600 0.146 0.000 1.087 494 S CA -0.564 57.662 58.200 0.042 0.000 1.042 494 S CB 1.758 64.966 63.200 0.013 0.000 1.043 494 S HN 0.159 nan 8.310 nan 0.000 0.489 495 E N 2.260 122.554 120.200 0.156 0.000 2.160 495 E HA -0.227 4.126 4.350 0.004 0.000 0.195 495 E C 1.704 178.350 176.600 0.077 0.000 0.991 495 E CA 1.951 58.437 56.400 0.143 0.000 0.810 495 E CB -0.005 29.764 29.700 0.115 0.000 0.742 495 E HN 0.826 nan 8.360 nan 0.000 0.466 496 E N -1.564 118.671 120.200 0.059 0.000 2.158 496 E HA -0.089 4.263 4.350 0.004 0.000 0.191 496 E C 1.742 178.364 176.600 0.036 0.000 0.982 496 E CA 1.443 57.867 56.400 0.040 0.000 0.823 496 E CB -0.235 29.483 29.700 0.030 0.000 0.766 496 E HN 0.060 nan 8.360 nan 0.000 0.468 497 T N 1.370 115.950 114.554 0.043 0.000 2.851 497 T HA -0.082 4.270 4.350 0.004 0.000 0.262 497 T C 1.839 176.565 174.700 0.044 0.000 1.043 497 T CA 1.415 63.537 62.100 0.037 0.000 1.140 497 T CB -0.172 68.718 68.868 0.036 0.000 0.872 497 T HN 0.356 nan 8.240 nan 0.000 0.446 498 R N 1.876 122.412 120.500 0.060 0.000 2.148 498 R HA 0.237 4.579 4.340 0.004 0.000 0.227 498 R C 2.459 178.770 176.300 0.018 0.000 1.103 498 R CA 1.157 57.279 56.100 0.037 0.000 0.983 498 R CB -0.571 29.736 30.300 0.012 0.000 0.874 498 R HN 0.298 nan 8.270 nan 0.000 0.451 499 A N 1.729 124.562 122.820 0.021 0.000 1.930 499 A HA -0.158 4.164 4.320 0.004 0.000 0.217 499 A C 1.997 179.590 177.584 0.016 0.000 1.175 499 A CA 1.344 53.389 52.037 0.014 0.000 0.627 499 A CB -0.453 18.558 19.000 0.018 0.000 0.815 499 A HN 0.513 nan 8.150 nan 0.000 0.443 500 E N -0.821 119.391 120.200 0.020 0.000 2.510 500 E HA -0.048 4.305 4.350 0.004 0.000 0.202 500 E C 1.394 178.004 176.600 0.017 0.000 1.072 500 E CA 0.291 56.701 56.400 0.017 0.000 0.883 500 E CB -0.106 29.602 29.700 0.013 0.000 0.818 500 E HN 0.674 nan 8.360 nan 0.000 0.548 501 L N -0.904 120.332 121.223 0.021 0.000 2.356 501 L HA -0.017 4.326 4.340 0.004 0.000 0.193 501 L C 2.272 179.154 176.870 0.021 0.000 1.087 501 L CA 0.688 55.545 54.840 0.029 0.000 0.817 501 L CB -0.035 42.050 42.059 0.043 0.000 1.035 501 L HN 0.061 nan 8.230 nan 0.000 0.482 502 S N -1.161 114.546 115.700 0.012 0.000 2.547 502 S HA -0.116 4.357 4.470 0.004 0.000 0.235 502 S C 1.545 176.144 174.600 -0.002 0.000 0.980 502 S CA 0.611 58.813 58.200 0.002 0.000 0.941 502 S CB -0.069 63.128 63.200 -0.005 0.000 0.763 502 S HN 0.285 nan 8.310 nan 0.000 0.532 503 Q N -0.417 119.384 119.800 0.001 0.000 2.247 503 Q HA 0.508 4.850 4.340 0.004 0.000 0.211 503 Q C 0.847 176.844 176.000 -0.006 0.000 0.861 503 Q CA 0.283 56.084 55.803 -0.004 0.000 0.949 503 Q CB 0.409 29.146 28.738 -0.002 0.000 1.115 503 Q HN 0.528 nan 8.270 nan 0.000 0.507 504 L N -3.098 118.124 121.223 -0.002 0.000 2.463 504 L HA 0.110 4.452 4.340 0.004 0.000 0.208 504 L C 1.349 178.218 176.870 -0.001 0.000 1.082 504 L CA 0.386 55.224 54.840 -0.003 0.000 0.997 504 L CB -0.214 41.843 42.059 -0.003 0.000 1.953 504 L HN -0.010 nan 8.230 nan 0.000 0.499 505 C N 1.297 120.603 119.300 0.010 0.000 2.481 505 C HA 0.462 4.925 4.460 0.004 0.000 0.275 505 C C 1.645 176.645 174.990 0.016 0.000 1.419 505 C CA -0.614 58.417 59.018 0.022 0.000 1.773 505 C CB -1.269 26.500 27.740 0.049 0.000 1.862 505 C HN 0.416 nan 8.230 nan 0.000 0.530 506 A N 0.941 123.762 122.820 0.001 0.000 2.586 506 A HA 0.233 4.556 4.320 0.004 0.000 0.231 506 A C 1.448 178.995 177.584 -0.063 0.000 1.055 506 A CA 0.350 52.371 52.037 -0.027 0.000 0.756 506 A CB 0.281 19.264 19.000 -0.028 0.000 0.988 506 A HN 0.243 nan 8.150 nan 0.000 0.509 507 V N 2.950 122.788 119.914 -0.127 0.000 2.295 507 V HA -0.158 3.965 4.120 0.004 0.000 0.246 507 V C -0.388 175.634 176.094 -0.119 0.000 1.049 507 V CA 2.674 64.874 62.300 -0.166 0.000 1.024 507 V CB -1.535 30.110 31.823 -0.296 0.000 0.648 507 V HN 0.830 nan 8.190 nan 0.000 0.447 508 P HA -0.114 nan 4.420 nan 0.000 0.215 508 P C 1.946 179.224 177.300 -0.037 0.000 1.157 508 P CA 1.224 64.296 63.100 -0.045 0.000 0.863 508 P CB -0.097 31.591 31.700 -0.019 0.000 0.787 509 L N -0.996 120.207 121.223 -0.034 0.000 2.351 509 L HA -0.190 4.153 4.340 0.004 0.000 0.220 509 L C 1.516 178.363 176.870 -0.039 0.000 1.127 509 L CA 1.343 56.168 54.840 -0.025 0.000 0.786 509 L CB -0.498 41.550 42.059 -0.017 0.000 0.914 509 L HN 0.032 nan 8.230 nan 0.000 0.443 510 Q N -0.993 118.769 119.800 -0.063 0.000 2.225 510 Q HA 0.244 4.587 4.340 0.004 0.000 0.259 510 Q C 1.471 177.406 176.000 -0.108 0.000 0.872 510 Q CA 0.134 55.885 55.803 -0.086 0.000 1.042 510 Q CB 0.829 29.506 28.738 -0.102 0.000 1.142 510 Q HN 0.545 nan 8.270 nan 0.000 0.463 511 I N -0.370 120.148 120.570 -0.086 0.000 2.494 511 I HA -0.061 4.112 4.170 0.004 0.000 0.250 511 I C 0.699 176.750 176.117 -0.109 0.000 1.112 511 I CA 0.544 61.796 61.300 -0.079 0.000 1.438 511 I CB 0.557 38.545 38.000 -0.020 0.000 1.111 511 I HN -0.126 nan 8.210 nan 0.000 0.431 512 V N 1.566 121.403 119.914 -0.128 0.000 2.326 512 V HA 0.099 4.222 4.120 0.004 0.000 0.249 512 V C 0.651 176.671 176.094 -0.124 0.000 1.114 512 V CA -0.456 61.741 62.300 -0.172 0.000 1.028 512 V CB -0.108 31.585 31.823 -0.217 0.000 1.170 512 V HN 0.248 nan 8.190 nan 0.000 0.494 513 S N 6.466 122.092 115.700 -0.124 0.000 2.544 513 S HA 0.144 4.617 4.470 0.004 0.000 0.290 513 S C -0.932 173.640 174.600 -0.047 0.000 1.276 513 S CA -0.647 57.485 58.200 -0.115 0.000 1.075 513 S CB 0.962 64.073 63.200 -0.148 0.000 0.849 513 S HN 0.628 nan 8.310 nan 0.000 0.494 514 P HA -0.015 nan 4.420 nan 0.000 0.227 514 P C 0.986 178.412 177.300 0.210 0.000 1.161 514 P CA 0.568 63.723 63.100 0.091 0.000 0.788 514 P CB -0.001 31.759 31.700 0.099 0.000 0.822 515 Q N 0.057 119.901 119.800 0.074 0.000 2.389 515 Q HA 0.050 4.393 4.340 0.004 0.000 0.204 515 Q C 0.910 176.931 176.000 0.035 0.000 0.944 515 Q CA 1.247 57.065 55.803 0.026 0.000 0.908 515 Q CB -0.335 28.272 28.738 -0.219 0.000 1.002 515 Q HN 0.137 nan 8.270 nan 0.000 0.493 516 S N -0.127 115.584 115.700 0.018 0.000 3.021 516 S HA 0.166 4.639 4.470 0.004 0.000 0.252 516 S C -0.331 174.346 174.600 0.128 0.000 0.996 516 S CA -0.276 57.928 58.200 0.007 0.000 1.084 516 S CB -0.674 62.542 63.200 0.026 0.000 1.021 516 S HN 0.608 nan 8.310 nan 0.000 0.566 517 N N 1.676 120.447 118.700 0.117 0.000 2.693 517 N HA -0.313 4.429 4.740 0.004 0.000 0.250 517 N C -0.443 175.134 175.510 0.113 0.000 1.033 517 N CA 1.831 54.961 53.050 0.133 0.000 0.747 517 N CB -1.949 36.660 38.487 0.202 0.000 0.964 517 N HN 0.949 nan 8.380 nan 0.000 0.540 518 K N -2.878 117.542 120.400 0.033 0.000 2.551 518 K HA 0.557 4.880 4.320 0.004 0.000 0.269 518 K C -3.295 173.235 176.600 -0.116 0.000 0.949 518 K CA -2.141 54.128 56.287 -0.029 0.000 0.849 518 K CB 2.272 34.814 32.500 0.069 0.000 1.411 518 K HN -0.164 nan 8.250 nan 0.000 0.432 519 P HA -0.043 nan 4.420 nan 0.000 0.263 519 P C 0.843 178.104 177.300 -0.065 0.000 1.195 519 P CA -0.329 62.682 63.100 -0.147 0.000 0.762 519 P CB 0.444 32.066 31.700 -0.130 0.000 0.799 520 C N 2.642 121.896 119.300 -0.076 0.000 2.634 520 C HA 0.307 4.770 4.460 0.004 0.000 0.268 520 C C 0.975 175.938 174.990 -0.044 0.000 1.322 520 C CA -0.222 58.752 59.018 -0.075 0.000 1.737 520 C CB -0.996 26.654 27.740 -0.149 0.000 1.976 520 C HN 0.395 nan 8.230 nan 0.000 0.547 521 M N 1.438 121.029 119.600 -0.015 0.000 2.537 521 M HA 0.663 5.146 4.480 0.004 0.000 0.324 521 M C 0.434 176.841 176.300 0.178 0.000 1.187 521 M CA 0.499 55.810 55.300 0.019 0.000 0.993 521 M CB 1.734 34.278 32.600 -0.094 0.000 1.666 521 M HN 0.427 nan 8.290 nan 0.000 0.461 522 G N 1.515 110.447 108.800 0.220 0.000 2.896 522 G HA2 0.719 4.682 3.960 0.004 0.000 0.247 522 G HA3 0.719 4.682 3.960 0.004 0.000 0.247 522 G C -1.505 173.632 174.900 0.396 0.000 1.187 522 G CA -0.683 44.604 45.100 0.311 0.000 0.837 522 G HN 0.607 nan 8.290 nan 0.000 0.559 523 I N 1.335 122.035 120.570 0.217 0.000 2.406 523 I HA 0.530 4.703 4.170 0.004 0.000 0.290 523 I C -0.437 175.745 176.117 0.108 0.000 0.999 523 I CA -0.928 60.479 61.300 0.178 0.000 1.124 523 I CB 1.684 39.747 38.000 0.105 0.000 1.289 523 I HN 0.377 nan 8.210 nan 0.000 0.441 524 V N 2.445 122.422 119.914 0.105 0.000 3.007 524 V HA 0.604 4.726 4.120 0.004 0.000 0.311 524 V C -0.201 175.942 176.094 0.080 0.000 1.120 524 V CA -0.566 61.783 62.300 0.081 0.000 0.980 524 V CB 1.549 33.417 31.823 0.076 0.000 1.033 524 V HN 0.961 nan 8.190 nan 0.000 0.429 525 Q N -0.114 119.730 119.800 0.072 0.000 1.113 525 Q HA -0.313 4.029 4.340 0.004 0.000 0.352 525 Q C 0.865 176.910 176.000 0.076 0.000 1.021 525 Q CA 1.584 57.437 55.803 0.082 0.000 0.584 525 Q CB -1.037 27.758 28.738 0.096 0.000 4.825 525 Q HN 1.030 nan 8.270 nan 0.000 0.491 526 D N -0.363 120.092 120.400 0.091 0.000 2.263 526 D HA -0.174 4.468 4.640 0.004 0.000 0.193 526 D C 1.783 178.116 176.300 0.055 0.000 1.013 526 D CA 2.404 56.453 54.000 0.082 0.000 0.892 526 D CB -0.307 40.539 40.800 0.078 0.000 0.909 526 D HN 0.472 nan 8.370 nan 0.000 0.449 527 T N -0.462 114.126 114.554 0.056 0.000 2.942 527 T HA -0.018 4.335 4.350 0.004 0.000 0.265 527 T C 1.800 176.520 174.700 0.033 0.000 1.062 527 T CA 0.259 62.389 62.100 0.050 0.000 1.139 527 T CB -0.068 68.837 68.868 0.062 0.000 0.883 527 T HN 0.058 nan 8.240 nan 0.000 0.468 528 L N 0.487 121.730 121.223 0.033 0.000 2.270 528 L HA 0.226 4.569 4.340 0.004 0.000 0.210 528 L C 2.338 179.198 176.870 -0.017 0.000 1.104 528 L CA 0.940 55.788 54.840 0.013 0.000 0.804 528 L CB -0.340 41.736 42.059 0.029 0.000 0.937 528 L HN 0.374 nan 8.230 nan 0.000 0.450 529 C N -1.086 118.195 119.300 -0.031 0.000 2.563 529 C HA 0.284 4.747 4.460 0.004 0.000 0.268 529 C C 2.552 177.447 174.990 -0.157 0.000 1.365 529 C CA 0.324 59.271 59.018 -0.119 0.000 1.754 529 C CB -1.300 26.346 27.740 -0.157 0.000 1.932 529 C HN 0.620 nan 8.230 nan 0.000 0.536 530 G N 0.381 109.153 108.800 -0.047 0.000 2.408 530 G HA2 -0.044 3.919 3.960 0.004 0.000 0.213 530 G HA3 -0.044 3.919 3.960 0.004 0.000 0.213 530 G C 1.521 176.456 174.900 0.059 0.000 1.177 530 G CA 0.733 45.874 45.100 0.068 0.000 0.802 530 G HN 0.541 nan 8.290 nan 0.000 0.533 531 I N 0.440 121.008 120.570 -0.003 0.000 2.502 531 I HA -0.160 4.013 4.170 0.004 0.000 0.258 531 I C 2.704 178.764 176.117 -0.094 0.000 1.172 531 I CA 1.082 62.346 61.300 -0.060 0.000 1.430 531 I CB 0.022 37.990 38.000 -0.054 0.000 1.086 531 I HN 0.159 nan 8.210 nan 0.000 0.440 532 R N 0.909 121.364 120.500 -0.076 0.000 2.055 532 R HA -0.142 4.200 4.340 0.004 0.000 0.226 532 R C 2.234 178.481 176.300 -0.089 0.000 1.135 532 R CA 1.140 57.189 56.100 -0.084 0.000 0.959 532 R CB -0.164 30.091 30.300 -0.075 0.000 0.854 532 R HN 0.262 nan 8.270 nan 0.000 0.431 533 K N 0.583 120.957 120.400 -0.044 0.000 2.152 533 K HA -0.170 4.153 4.320 0.004 0.000 0.206 533 K C 2.081 178.607 176.600 -0.122 0.000 1.048 533 K CA 1.184 57.494 56.287 0.039 0.000 0.933 533 K CB -0.183 32.454 32.500 0.229 0.000 0.721 533 K HN 0.169 nan 8.250 nan 0.000 0.447 534 L N 0.773 121.761 121.223 -0.390 0.000 2.217 534 L HA -0.091 4.252 4.340 0.004 0.000 0.211 534 L C 1.958 178.523 176.870 -0.508 0.000 1.107 534 L CA 1.594 55.887 54.840 -0.911 0.000 0.783 534 L CB -0.181 41.365 42.059 -0.855 0.000 0.919 534 L HN 0.021 nan 8.230 nan 0.000 0.442 535 T N 0.087 114.462 114.554 -0.299 0.000 2.852 535 T HA 0.094 4.447 4.350 0.004 0.000 0.256 535 T C 0.822 175.408 174.700 -0.189 0.000 1.038 535 T CA 0.028 62.000 62.100 -0.214 0.000 1.141 535 T CB -0.325 68.451 68.868 -0.152 0.000 0.869 535 T HN 0.133 nan 8.240 nan 0.000 0.439 536 L N 2.757 123.881 121.223 -0.165 0.000 2.769 536 L HA -0.108 4.234 4.340 0.004 0.000 0.293 536 L C 1.548 178.286 176.870 -0.219 0.000 1.224 536 L CA -0.032 54.720 54.840 -0.146 0.000 0.906 536 L CB 0.082 42.071 42.059 -0.117 0.000 1.193 536 L HN 0.268 nan 8.230 nan 0.000 0.488 537 R N 1.372 121.761 120.500 -0.184 0.000 2.211 537 R HA -0.190 4.153 4.340 0.004 0.000 0.240 537 R C 1.331 177.292 176.300 -0.564 0.000 1.144 537 R CA 1.252 57.194 56.100 -0.264 0.000 0.992 537 R CB -0.313 29.930 30.300 -0.094 0.000 0.869 537 R HN 0.619 nan 8.270 nan 0.000 0.462 538 D N 0.442 120.616 120.400 -0.377 0.000 2.348 538 D HA -0.041 4.602 4.640 0.004 0.000 0.216 538 D C -0.237 175.780 176.300 -0.472 0.000 0.970 538 D CA 0.745 54.532 54.000 -0.356 0.000 0.889 538 D CB 0.119 40.838 40.800 -0.134 0.000 0.912 538 D HN 0.088 nan 8.370 nan 0.000 0.524 539 T N 0.558 114.808 114.554 -0.506 0.000 2.729 539 T HA 0.347 4.700 4.350 0.004 0.000 0.296 539 T C -0.160 174.249 174.700 -0.485 0.000 0.928 539 T CA -0.157 61.735 62.100 -0.346 0.000 1.045 539 T CB 0.373 69.072 68.868 -0.282 0.000 0.902 539 T HN -0.123 nan 8.240 nan 0.000 0.500 540 F N 2.446 122.435 119.950 0.065 0.000 2.563 540 F HA 0.666 5.195 4.527 0.004 0.000 0.316 540 F C -0.013 175.866 175.800 0.133 0.000 1.076 540 F CA -1.371 56.679 58.000 0.083 0.000 0.921 540 F CB 1.685 40.734 39.000 0.081 0.000 1.209 540 F HN 0.319 nan 8.300 nan 0.000 0.462 541 I N 1.565 122.373 120.570 0.395 0.000 2.689 541 I HA 0.383 4.555 4.170 0.004 0.000 0.299 541 I C -0.733 175.604 176.117 0.367 0.000 1.059 541 I CA -0.827 60.660 61.300 0.312 0.000 1.055 541 I CB 2.098 40.222 38.000 0.207 0.000 1.243 541 I HN 0.570 nan 8.210 nan 0.000 0.425 542 E N 4.122 124.498 120.200 0.294 0.000 2.259 542 E HA 0.297 4.650 4.350 0.004 0.000 0.257 542 E C 0.616 177.371 176.600 0.258 0.000 0.998 542 E CA -0.806 55.794 56.400 0.334 0.000 0.866 542 E CB 1.701 31.536 29.700 0.225 0.000 1.220 542 E HN 0.499 nan 8.360 nan 0.000 0.415 543 L N 1.578 123.005 121.223 0.340 0.000 1.976 543 L HA -0.317 4.025 4.340 0.004 0.000 0.223 543 L C 1.992 178.860 176.870 -0.003 0.000 1.081 543 L CA 3.072 58.022 54.840 0.184 0.000 0.784 543 L CB -0.875 41.328 42.059 0.241 0.000 0.896 543 L HN 0.825 nan 8.230 nan 0.000 0.438 544 D N -1.233 119.199 120.400 0.053 0.000 2.123 544 D HA -0.307 4.336 4.640 0.004 0.000 0.196 544 D C 2.026 178.339 176.300 0.022 0.000 0.992 544 D CA 1.992 56.011 54.000 0.032 0.000 0.833 544 D CB -0.662 40.174 40.800 0.060 0.000 0.954 544 D HN 0.737 nan 8.370 nan 0.000 0.455 545 Q N 0.274 120.105 119.800 0.051 0.000 2.096 545 Q HA -0.046 4.296 4.340 0.004 0.000 0.197 545 Q C 2.448 178.462 176.000 0.024 0.000 0.964 545 Q CA 0.654 56.513 55.803 0.094 0.000 0.838 545 Q CB 0.182 29.005 28.738 0.142 0.000 0.906 545 Q HN 0.140 nan 8.270 nan 0.000 0.444 546 V N 1.570 121.422 119.914 -0.104 0.000 2.324 546 V HA -0.327 3.795 4.120 0.004 0.000 0.250 546 V C 2.373 178.254 176.094 -0.355 0.000 1.060 546 V CA 1.605 63.722 62.300 -0.305 0.000 1.042 546 V CB -0.573 30.825 31.823 -0.709 0.000 0.650 546 V HN 0.440 nan 8.190 nan 0.000 0.450 547 L N 0.073 121.107 121.223 -0.315 0.000 2.042 547 L HA -0.189 4.153 4.340 0.004 0.000 0.210 547 L C 2.517 179.215 176.870 -0.286 0.000 1.076 547 L CA 1.739 56.388 54.840 -0.318 0.000 0.749 547 L CB -0.985 40.945 42.059 -0.214 0.000 0.893 547 L HN 0.466 nan 8.230 nan 0.000 0.432 548 N N 0.394 118.989 118.700 -0.176 0.000 2.043 548 N HA -0.203 4.540 4.740 0.004 0.000 0.193 548 N C 1.880 177.195 175.510 -0.325 0.000 1.037 548 N CA 1.543 54.474 53.050 -0.198 0.000 0.851 548 N CB -0.391 38.051 38.487 -0.075 0.000 1.027 548 N HN 0.350 nan 8.380 nan 0.000 0.422 549 M N 0.545 119.954 119.600 -0.319 0.000 2.144 549 M HA -0.129 4.354 4.480 0.004 0.000 0.260 549 M C 2.184 178.329 176.300 -0.258 0.000 1.067 549 M CA 1.319 56.459 55.300 -0.266 0.000 1.095 549 M CB -0.596 31.938 32.600 -0.110 0.000 1.365 549 M HN 0.077 nan 8.290 nan 0.000 0.406 550 L N -1.260 119.709 121.223 -0.422 0.000 2.056 550 L HA -0.223 4.119 4.340 0.004 0.000 0.207 550 L C 2.668 179.085 176.870 -0.754 0.000 1.078 550 L CA 1.156 55.550 54.840 -0.744 0.000 0.749 550 L CB -0.776 40.634 42.059 -1.081 0.000 0.901 550 L HN 0.212 nan 8.230 nan 0.000 0.433 551 Y N -0.863 119.018 120.300 -0.699 0.000 2.293 551 Y HA -0.244 4.309 4.550 0.004 0.000 0.291 551 Y C 2.066 177.779 175.900 -0.311 0.000 1.137 551 Y CA 0.713 58.525 58.100 -0.481 0.000 1.202 551 Y CB -0.557 37.654 38.460 -0.414 0.000 0.990 551 Y HN 0.105 nan 8.280 nan 0.000 0.537 552 W N 0.041 121.094 121.300 -0.411 0.000 2.363 552 W HA -0.081 4.581 4.660 0.004 0.000 0.296 552 W C 0.678 177.043 176.519 -0.257 0.000 1.212 552 W CA 1.249 58.351 57.345 -0.404 0.000 1.260 552 W CB -0.360 28.838 29.460 -0.437 0.000 1.131 552 W HN -0.368 nan 8.180 nan 0.000 0.530 553 V N 2.958 122.912 119.914 0.066 0.000 2.479 553 V HA -0.046 4.077 4.120 0.004 0.000 0.281 553 V C -1.475 174.678 176.094 0.098 0.000 1.031 553 V CA -0.601 61.754 62.300 0.092 0.000 1.038 553 V CB 0.623 32.506 31.823 0.100 0.000 0.981 553 V HN -0.085 nan 8.190 nan 0.000 0.478 554 P HA 0.117 nan 4.420 nan 0.000 0.245 554 P C 0.008 177.362 177.300 0.090 0.000 1.212 554 P CA 0.409 63.538 63.100 0.048 0.000 0.774 554 P CB 0.176 31.889 31.700 0.022 0.000 0.999 555 D N -3.195 117.281 120.400 0.127 0.000 2.503 555 D HA 0.057 4.700 4.640 0.004 0.000 0.218 555 D C -0.290 176.100 176.300 0.149 0.000 1.183 555 D CA -0.457 53.606 54.000 0.105 0.000 0.827 555 D CB -0.433 40.413 40.800 0.076 0.000 1.034 555 D HN 0.097 nan 8.370 nan 0.000 0.510 556 W N 4.035 125.342 121.300 0.013 0.000 2.397 556 W HA 0.039 4.701 4.660 0.004 0.000 0.327 556 W C 1.045 177.575 176.519 0.018 0.000 1.421 556 W CA -0.660 56.696 57.345 0.017 0.000 1.288 556 W CB 0.656 30.132 29.460 0.027 0.000 1.312 556 W HN 0.044 nan 8.180 nan 0.000 0.559 557 D N 3.922 124.062 120.400 -0.434 0.000 2.403 557 D HA -0.095 4.547 4.640 0.004 0.000 0.227 557 D C 1.556 177.359 176.300 -0.828 0.000 0.995 557 D CA 0.967 54.679 54.000 -0.480 0.000 0.928 557 D CB -0.657 39.980 40.800 -0.272 0.000 0.887 557 D HN 0.864 nan 8.370 nan 0.000 0.529 558 G N -0.631 107.089 108.800 -1.800 0.000 2.153 558 G HA2 -0.237 3.725 3.960 0.004 0.000 0.252 558 G HA3 -0.237 3.725 3.960 0.004 0.000 0.252 558 G C -0.005 174.186 174.900 -1.181 0.000 0.994 558 G CA 0.253 44.224 45.100 -1.881 0.000 0.698 558 G HN 0.440 nan 8.290 nan 0.000 0.521 559 V N 2.301 121.668 119.914 -0.912 0.000 2.447 559 V HA 0.444 4.566 4.120 0.004 0.000 0.292 559 V C 0.770 177.044 176.094 0.301 0.000 1.021 559 V CA -0.781 61.434 62.300 -0.140 0.000 0.850 559 V CB 1.473 33.226 31.823 -0.116 0.000 1.005 559 V HN 0.569 nan 8.190 nan 0.000 0.426 560 I N 4.870 125.722 120.570 0.469 0.000 2.587 560 I HA 0.375 4.548 4.170 0.004 0.000 0.284 560 I C -1.789 174.518 176.117 0.316 0.000 1.134 560 I CA -1.294 60.254 61.300 0.413 0.000 1.410 560 I CB 0.420 38.571 38.000 0.251 0.000 1.392 560 I HN 0.357 nan 8.210 nan 0.000 0.545 561 P HA 0.110 nan 4.420 nan 0.000 0.271 561 P C -0.358 177.204 177.300 0.437 0.000 1.218 561 P CA -0.149 63.140 63.100 0.315 0.000 0.780 561 P CB 0.478 32.352 31.700 0.290 0.000 0.901 562 T N 2.435 117.148 114.554 0.264 0.000 2.853 562 T HA 0.221 4.574 4.350 0.004 0.000 0.298 562 T C -2.229 172.491 174.700 0.034 0.000 0.978 562 T CA -1.248 60.948 62.100 0.159 0.000 1.152 562 T CB -0.740 68.166 68.868 0.065 0.000 0.914 562 T HN 0.304 nan 8.240 nan 0.000 0.539 563 P HA 0.222 nan 4.420 nan 0.000 0.267 563 P C 0.626 177.621 177.300 -0.507 0.000 1.209 563 P CA -0.274 62.212 63.100 -1.024 0.000 0.763 563 P CB 0.320 31.143 31.700 -1.461 0.000 0.816 564 A N 4.166 126.770 122.820 -0.359 0.000 2.139 564 A HA -0.099 4.223 4.320 0.004 0.000 0.221 564 A C 0.904 178.356 177.584 -0.220 0.000 1.159 564 A CA 1.331 53.269 52.037 -0.165 0.000 0.662 564 A CB -0.760 18.221 19.000 -0.030 0.000 0.796 564 A HN 0.565 nan 8.150 nan 0.000 0.463 565 I N -1.617 118.740 120.570 -0.356 0.000 2.569 565 I HA 0.386 4.558 4.170 0.004 0.000 0.290 565 I C 0.255 176.165 176.117 -0.344 0.000 1.088 565 I CA -0.366 60.738 61.300 -0.326 0.000 1.047 565 I CB 2.124 39.892 38.000 -0.387 0.000 1.237 565 I HN 0.100 nan 8.210 nan 0.000 0.421 566 I N 3.980 124.406 120.570 -0.240 0.000 3.623 566 I HA 0.066 4.239 4.170 0.004 0.000 0.253 566 I C 1.208 177.238 176.117 -0.144 0.000 1.144 566 I CA -0.242 60.939 61.300 -0.199 0.000 1.461 566 I CB -0.104 37.804 38.000 -0.154 0.000 1.575 566 I HN 0.594 nan 8.210 nan 0.000 0.445 567 K N 2.107 122.438 120.400 -0.116 0.000 2.331 567 K HA -0.277 4.045 4.320 0.004 0.000 0.101 567 K C -1.484 175.071 176.600 -0.074 0.000 1.213 567 K CA 1.637 57.871 56.287 -0.088 0.000 0.650 567 K CB -2.817 29.627 32.500 -0.093 0.000 0.464 567 K HN 0.111 nan 8.250 nan 0.000 1.054 568 P HA -0.134 nan 4.420 nan 0.000 0.215 568 P C -0.033 177.236 177.300 -0.051 0.000 1.157 568 P CA 1.498 64.569 63.100 -0.048 0.000 0.863 568 P CB 0.115 31.792 31.700 -0.039 0.000 0.787 569 K N 0.336 120.694 120.400 -0.070 0.000 2.471 569 K HA 0.335 4.658 4.320 0.004 0.000 0.252 569 K C -2.789 173.740 176.600 -0.119 0.000 0.938 569 K CA -2.571 53.677 56.287 -0.065 0.000 0.796 569 K CB 2.431 34.910 32.500 -0.034 0.000 1.161 569 K HN -0.179 nan 8.250 nan 0.000 0.425 570 P HA 0.082 nan 4.420 nan 0.000 0.268 570 P C -1.005 176.123 177.300 -0.287 0.000 1.282 570 P CA -0.312 62.620 63.100 -0.279 0.000 0.880 570 P CB 0.344 31.881 31.700 -0.272 0.000 0.971 571 L N 4.303 125.326 121.223 -0.332 0.000 2.334 571 L HA 0.539 4.882 4.340 0.004 0.000 0.272 571 L C 0.367 177.075 176.870 -0.270 0.000 1.020 571 L CA -0.344 54.392 54.840 -0.174 0.000 0.812 571 L CB 0.959 42.861 42.059 -0.261 0.000 1.264 571 L HN 0.358 nan 8.230 nan 0.000 0.439 572 W N 0.466 121.775 121.300 0.017 0.000 2.578 572 W HA 0.542 5.205 4.660 0.005 0.000 0.353 572 W C 0.239 176.891 176.519 0.223 0.000 1.088 572 W CA -0.607 56.780 57.345 0.070 0.000 1.235 572 W CB 2.110 31.605 29.460 0.057 0.000 1.362 572 W HN 0.535 nan 8.180 nan 0.000 0.592 573 S N -0.148 115.819 115.700 0.445 0.000 2.672 573 S HA 0.476 4.949 4.470 0.004 0.000 0.276 573 S C 0.912 175.610 174.600 0.163 0.000 1.207 573 S CA 0.076 58.513 58.200 0.396 0.000 1.002 573 S CB 1.621 65.003 63.200 0.303 0.000 0.998 573 S HN 0.602 nan 8.310 nan 0.000 0.542 574 G N 1.600 110.385 108.800 -0.026 0.000 2.453 574 G HA2 -0.177 3.785 3.960 0.004 0.000 0.215 574 G HA3 -0.177 3.785 3.960 0.004 0.000 0.215 574 G C 1.237 176.074 174.900 -0.106 0.000 1.201 574 G CA 0.753 45.750 45.100 -0.172 0.000 0.784 574 G HN 0.837 nan 8.290 nan 0.000 0.545 575 K N 0.224 120.574 120.400 -0.084 0.000 2.107 575 K HA -0.282 4.041 4.320 0.004 0.000 0.211 575 K C 2.488 179.085 176.600 -0.004 0.000 1.049 575 K CA 1.635 57.890 56.287 -0.054 0.000 0.927 575 K CB -0.318 32.162 32.500 -0.034 0.000 0.714 575 K HN 0.462 nan 8.250 nan 0.000 0.452 576 Q N 1.071 120.905 119.800 0.056 0.000 2.135 576 Q HA -0.177 4.165 4.340 0.004 0.000 0.204 576 Q C 2.126 178.181 176.000 0.092 0.000 0.981 576 Q CA 1.794 57.665 55.803 0.115 0.000 0.856 576 Q CB -0.049 28.825 28.738 0.227 0.000 0.902 576 Q HN 0.625 nan 8.270 nan 0.000 0.425 577 I N -3.177 117.416 120.570 0.039 0.000 3.339 577 I HA 0.042 4.215 4.170 0.004 0.000 0.285 577 I C 1.951 178.046 176.117 -0.037 0.000 1.201 577 I CA 0.089 61.381 61.300 -0.014 0.000 1.434 577 I CB -0.214 37.734 38.000 -0.086 0.000 1.152 577 I HN 0.105 nan 8.210 nan 0.000 0.443 578 L N 1.641 122.827 121.223 -0.060 0.000 2.187 578 L HA -0.106 4.237 4.340 0.004 0.000 0.213 578 L C 2.171 179.018 176.870 -0.038 0.000 1.100 578 L CA 1.877 56.677 54.840 -0.066 0.000 0.765 578 L CB -0.769 41.231 42.059 -0.098 0.000 0.904 578 L HN 0.276 nan 8.230 nan 0.000 0.437 579 S N -1.282 114.406 115.700 -0.021 0.000 2.547 579 S HA -0.063 4.409 4.470 0.004 0.000 0.235 579 S C 1.826 176.439 174.600 0.021 0.000 0.980 579 S CA 0.944 59.140 58.200 -0.006 0.000 0.941 579 S CB -0.351 62.853 63.200 0.007 0.000 0.763 579 S HN 0.381 nan 8.310 nan 0.000 0.532 580 V N 1.336 121.271 119.914 0.034 0.000 2.809 580 V HA -0.066 4.056 4.120 0.004 0.000 0.256 580 V C 2.407 178.539 176.094 0.063 0.000 1.080 580 V CA 1.443 63.790 62.300 0.077 0.000 1.102 580 V CB -0.883 30.992 31.823 0.087 0.000 0.705 580 V HN 0.554 nan 8.190 nan 0.000 0.475 581 A N 0.022 122.856 122.820 0.023 0.000 1.975 581 A HA 0.199 4.522 4.320 0.004 0.000 0.215 581 A C 1.155 178.737 177.584 -0.003 0.000 1.170 581 A CA 0.343 52.387 52.037 0.012 0.000 0.656 581 A CB -0.238 18.755 19.000 -0.011 0.000 0.821 581 A HN 0.520 nan 8.150 nan 0.000 0.449 582 I N 2.392 122.954 120.570 -0.014 0.000 2.363 582 I HA 0.190 4.362 4.170 0.004 0.000 0.292 582 I C -1.933 174.181 176.117 -0.006 0.000 1.075 582 I CA -2.101 59.183 61.300 -0.026 0.000 1.333 582 I CB 0.621 38.594 38.000 -0.044 0.000 1.415 582 I HN 0.118 nan 8.210 nan 0.000 0.502 583 P HA -0.039 nan 4.420 nan 0.000 0.286 583 P C -0.769 176.535 177.300 0.005 0.000 1.278 583 P CA -0.115 62.989 63.100 0.007 0.000 0.785 583 P CB 0.443 32.146 31.700 0.005 0.000 1.269 584 N N -0.887 117.817 118.700 0.007 0.000 2.400 584 N HA 0.377 5.120 4.740 0.004 0.000 0.288 584 N C 0.866 176.376 175.510 0.000 0.000 1.024 584 N CA 0.196 53.248 53.050 0.004 0.000 0.894 584 N CB 1.204 39.693 38.487 0.003 0.000 1.173 584 N HN 0.788 nan 8.380 nan 0.000 0.487 585 G N 1.252 110.050 108.800 -0.004 0.000 2.148 585 G HA2 -0.187 3.775 3.960 0.004 0.000 0.203 585 G HA3 -0.187 3.775 3.960 0.004 0.000 0.203 585 G C -0.121 174.789 174.900 0.016 0.000 0.993 585 G CA -0.504 44.591 45.100 -0.007 0.000 0.661 585 G HN 0.468 nan 8.290 nan 0.000 0.518 586 I N 1.535 122.114 120.570 0.015 0.000 2.428 586 I HA 0.460 4.633 4.170 0.004 0.000 0.289 586 I C 0.271 176.417 176.117 0.048 0.000 1.019 586 I CA -0.671 60.642 61.300 0.023 0.000 1.351 586 I CB 1.189 39.181 38.000 -0.012 0.000 1.412 586 I HN 0.189 nan 8.210 nan 0.000 0.513 587 H N 6.550 125.595 119.070 -0.042 0.000 2.667 587 H HA 0.580 5.138 4.556 0.004 0.000 0.353 587 H C -1.949 173.340 175.328 -0.066 0.000 1.072 587 H CA -0.743 55.275 56.048 -0.051 0.000 1.214 587 H CB 2.438 32.180 29.762 -0.033 0.000 1.600 587 H HN 0.489 nan 8.280 nan 0.000 0.527 588 L N 4.804 125.755 121.223 -0.452 0.000 2.482 588 L HA 0.318 4.661 4.340 0.004 0.000 0.269 588 L C -1.290 175.327 176.870 -0.422 0.000 0.967 588 L CA -0.205 54.457 54.840 -0.296 0.000 0.851 588 L CB 1.891 43.814 42.059 -0.227 0.000 1.242 588 L HN 0.633 nan 8.230 nan 0.000 0.404 589 Q N 3.824 123.473 119.800 -0.251 0.000 2.316 589 Q HA 0.491 4.833 4.340 0.004 0.000 0.264 589 Q C -0.240 175.609 176.000 -0.251 0.000 0.987 589 Q CA -0.412 55.220 55.803 -0.285 0.000 0.852 589 Q CB 2.840 31.560 28.738 -0.029 0.000 1.287 589 Q HN 0.754 nan 8.270 nan 0.000 0.448 590 R N 2.302 122.539 120.500 -0.440 0.000 2.580 590 R HA 0.272 4.615 4.340 0.004 0.000 0.161 590 R C -0.811 175.434 176.300 -0.091 0.000 1.659 590 R CA 0.175 56.134 56.100 -0.235 0.000 1.325 590 R CB 0.630 30.799 30.300 -0.218 0.000 1.254 590 R HN 0.637 nan 8.270 nan 0.000 0.474 591 F N 2.351 122.307 119.950 0.011 0.000 2.168 591 F HA -0.241 4.289 4.527 0.005 0.000 0.451 591 F C -0.111 175.706 175.800 0.029 0.000 1.209 591 F CA 0.087 58.120 58.000 0.056 0.000 1.469 591 F CB -0.749 38.291 39.000 0.067 0.000 2.294 591 F HN 0.360 nan 8.300 nan 0.000 0.741 592 D N 2.279 122.779 120.400 0.167 0.000 2.149 592 D HA 0.060 4.703 4.640 0.004 0.000 0.291 592 D C 1.661 178.023 176.300 0.104 0.000 1.134 592 D CA 0.076 54.136 54.000 0.100 0.000 1.056 592 D CB 0.074 40.907 40.800 0.056 0.000 1.151 592 D HN 0.615 nan 8.370 nan 0.000 0.479 593 E N -0.095 120.145 120.200 0.068 0.000 2.001 593 E HA -0.035 4.317 4.350 0.004 0.000 0.193 593 E C 1.321 177.954 176.600 0.056 0.000 0.994 593 E CA 0.810 57.240 56.400 0.051 0.000 0.815 593 E CB -0.229 29.488 29.700 0.029 0.000 0.770 593 E HN 0.361 nan 8.360 nan 0.000 0.453 594 G N 1.418 110.253 108.800 0.059 0.000 3.814 594 G HA2 0.085 4.048 3.960 0.004 0.000 0.293 594 G HA3 0.085 4.048 3.960 0.004 0.000 0.293 594 G C -0.365 174.583 174.900 0.081 0.000 1.243 594 G CA -0.242 44.889 45.100 0.050 0.000 1.053 594 G HN -0.012 nan 8.290 nan 0.000 0.562 595 T N 1.412 116.048 114.554 0.136 0.000 2.780 595 T HA 0.540 4.892 4.350 0.004 0.000 0.294 595 T C 0.277 175.103 174.700 0.210 0.000 0.949 595 T CA -0.176 62.072 62.100 0.245 0.000 1.074 595 T CB 1.487 70.604 68.868 0.416 0.000 0.910 595 T HN 0.371 nan 8.240 nan 0.000 0.501 596 T N 0.375 115.022 114.554 0.156 0.000 2.916 596 T HA 0.403 4.755 4.350 0.004 0.000 0.305 596 T C 0.825 175.536 174.700 0.018 0.000 1.119 596 T CA -0.941 61.178 62.100 0.030 0.000 1.008 596 T CB 1.038 69.898 68.868 -0.014 0.000 1.129 596 T HN 0.117 nan 8.240 nan 0.000 0.480 597 L N 1.179 122.408 121.223 0.011 0.000 2.357 597 L HA 0.107 4.450 4.340 0.004 0.000 0.220 597 L C 1.390 178.000 176.870 -0.433 0.000 1.123 597 L CA 1.522 56.319 54.840 -0.071 0.000 0.782 597 L CB -0.665 41.382 42.059 -0.019 0.000 0.910 597 L HN 0.721 nan 8.230 nan 0.000 0.442 598 L N -0.183 120.861 121.223 -0.298 0.000 2.999 598 L HA 0.225 4.568 4.340 0.004 0.000 0.263 598 L C 0.555 177.291 176.870 -0.224 0.000 1.320 598 L CA -0.477 54.183 54.840 -0.301 0.000 0.913 598 L CB 0.019 41.984 42.059 -0.155 0.000 1.296 598 L HN 0.174 nan 8.230 nan 0.000 0.546 599 S N -0.116 115.422 115.700 -0.270 0.000 3.116 599 S HA -0.009 4.463 4.470 0.004 0.000 0.367 599 S C -1.403 173.177 174.600 -0.034 0.000 1.202 599 S CA -0.711 57.452 58.200 -0.062 0.000 1.018 599 S CB 0.072 63.323 63.200 0.085 0.000 0.726 599 S HN 0.373 nan 8.310 nan 0.000 0.506 600 P HA 0.182 nan 4.420 nan 0.000 0.251 600 P C 0.312 177.620 177.300 0.014 0.000 1.223 600 P CA 0.413 63.511 63.100 -0.002 0.000 0.796 600 P CB 0.195 31.893 31.700 -0.003 0.000 1.068 601 K N -0.507 119.911 120.400 0.029 0.000 2.483 601 K HA 0.088 4.411 4.320 0.004 0.000 0.206 601 K C -0.184 176.443 176.600 0.046 0.000 1.086 601 K CA -0.157 56.150 56.287 0.032 0.000 1.052 601 K CB 0.383 32.901 32.500 0.031 0.000 0.904 601 K HN -0.236 nan 8.250 nan 0.000 0.557 602 D N 1.442 121.886 120.400 0.072 0.000 3.041 602 D HA -0.149 4.493 4.640 0.004 0.000 0.220 602 D C -0.442 175.924 176.300 0.110 0.000 1.157 602 D CA 0.532 54.596 54.000 0.105 0.000 0.876 602 D CB -1.032 39.798 40.800 0.051 0.000 1.107 602 D HN 0.207 nan 8.370 nan 0.000 0.422 603 N N -0.096 118.679 118.700 0.123 0.000 2.326 603 N HA 0.405 5.148 4.740 0.004 0.000 0.239 603 N C 1.503 177.072 175.510 0.099 0.000 1.301 603 N CA 1.156 54.265 53.050 0.098 0.000 0.909 603 N CB 0.199 38.749 38.487 0.104 0.000 1.156 603 N HN 0.454 nan 8.380 nan 0.000 0.462 604 G N 0.257 109.070 108.800 0.022 0.000 2.581 604 G HA2 -0.265 3.698 3.960 0.004 0.000 0.291 604 G HA3 -0.265 3.698 3.960 0.004 0.000 0.291 604 G C -0.232 174.526 174.900 -0.236 0.000 1.277 604 G CA 0.948 46.003 45.100 -0.074 0.000 0.959 604 G HN 0.768 nan 8.290 nan 0.000 0.554 605 M N -1.822 117.497 119.600 -0.467 0.000 2.484 605 M HA 0.630 5.113 4.480 0.004 0.000 0.292 605 M C -2.291 173.486 176.300 -0.871 0.000 1.123 605 M CA -0.769 54.134 55.300 -0.661 0.000 0.910 605 M CB 1.713 34.075 32.600 -0.397 0.000 1.782 605 M HN 1.517 nan 8.290 nan 0.000 0.512 606 L N 5.829 126.430 121.223 -1.037 0.000 2.406 606 L HA 0.735 5.077 4.340 0.004 0.000 0.270 606 L C -2.047 174.536 176.870 -0.479 0.000 0.982 606 L CA -0.148 54.248 54.840 -0.740 0.000 0.843 606 L CB 1.687 43.360 42.059 -0.643 0.000 1.225 606 L HN 0.785 nan 8.230 nan 0.000 0.412 607 I N 6.448 126.765 120.570 -0.422 0.000 2.382 607 I HA 0.424 4.597 4.170 0.004 0.000 0.285 607 I C -0.642 175.298 176.117 -0.296 0.000 1.007 607 I CA -0.309 60.814 61.300 -0.295 0.000 1.142 607 I CB 1.528 39.385 38.000 -0.240 0.000 1.289 607 I HN 0.501 nan 8.210 nan 0.000 0.453 608 I N 5.803 126.280 120.570 -0.155 0.000 2.389 608 I HA 0.202 4.375 4.170 0.004 0.000 0.288 608 I C -0.425 175.682 176.117 -0.017 0.000 0.999 608 I CA -0.292 60.974 61.300 -0.056 0.000 1.129 608 I CB 1.531 39.537 38.000 0.011 0.000 1.288 608 I HN 0.643 nan 8.210 nan 0.000 0.444 609 D N 5.844 126.243 120.400 -0.001 0.000 2.828 609 D HA -0.165 4.478 4.640 0.004 0.000 0.241 609 D C 0.891 177.189 176.300 -0.003 0.000 1.142 609 D CA 1.209 55.209 54.000 -0.000 0.000 0.755 609 D CB -0.681 40.126 40.800 0.011 0.000 1.014 609 D HN 1.070 nan 8.370 nan 0.000 0.420 610 G N 1.091 109.882 108.800 -0.015 0.000 2.422 610 G HA2 -0.270 3.693 3.960 0.004 0.000 0.301 610 G HA3 -0.270 3.693 3.960 0.004 0.000 0.301 610 G C -0.117 174.775 174.900 -0.015 0.000 0.981 610 G CA 0.868 45.957 45.100 -0.018 0.000 0.994 610 G HN 0.555 nan 8.290 nan 0.000 0.514 611 Q N -1.028 118.755 119.800 -0.029 0.000 2.289 611 Q HA 0.434 4.777 4.340 0.004 0.000 0.270 611 Q C 0.359 176.327 176.000 -0.054 0.000 1.038 611 Q CA -0.724 55.067 55.803 -0.020 0.000 0.812 611 Q CB 1.917 30.660 28.738 0.008 0.000 1.300 611 Q HN 0.383 nan 8.270 nan 0.000 0.427 612 I N 3.136 123.674 120.570 -0.053 0.000 2.588 612 I HA 0.078 4.251 4.170 0.004 0.000 0.283 612 I C 1.215 177.308 176.117 -0.040 0.000 1.119 612 I CA 0.366 61.616 61.300 -0.083 0.000 1.419 612 I CB 0.578 38.532 38.000 -0.076 0.000 1.394 612 I HN 0.624 nan 8.210 nan 0.000 0.562 613 I N 5.241 125.775 120.570 -0.060 0.000 3.971 613 I HA 0.209 4.381 4.170 0.004 0.000 0.303 613 I C -0.223 176.019 176.117 0.209 0.000 1.233 613 I CA 0.198 61.541 61.300 0.070 0.000 1.346 613 I CB 0.494 38.560 38.000 0.111 0.000 1.273 613 I HN 0.534 nan 8.210 nan 0.000 0.448 614 F N 0.033 119.951 119.950 -0.055 0.000 2.725 614 F HA 0.737 5.267 4.527 0.004 0.000 0.309 614 F C -0.591 175.165 175.800 -0.075 0.000 1.132 614 F CA -0.912 57.059 58.000 -0.049 0.000 0.957 614 F CB 0.808 39.791 39.000 -0.028 0.000 1.286 614 F HN -0.021 nan 8.300 nan 0.000 0.440 615 G N 1.380 110.190 108.800 0.016 0.000 3.233 615 G HA2 0.286 4.248 3.960 0.004 0.000 0.686 615 G HA3 0.286 4.248 3.960 0.004 0.000 0.686 615 G C -1.582 173.260 174.900 -0.096 0.000 1.153 615 G CA -0.683 44.363 45.100 -0.089 0.000 0.853 615 G HN 1.221 nan 8.290 nan 0.000 0.582 616 V N 2.539 122.415 119.914 -0.063 0.000 2.572 616 V HA 0.347 4.469 4.120 0.004 0.000 0.291 616 V C 1.296 177.334 176.094 -0.093 0.000 1.039 616 V CA -0.507 61.747 62.300 -0.077 0.000 1.055 616 V CB 1.420 33.207 31.823 -0.059 0.000 0.969 616 V HN 0.812 nan 8.190 nan 0.000 0.482 617 V N 5.929 125.781 119.914 -0.104 0.000 2.530 617 V HA 0.473 4.595 4.120 0.004 0.000 0.282 617 V C 0.212 176.258 176.094 -0.081 0.000 1.048 617 V CA 0.001 62.240 62.300 -0.102 0.000 0.997 617 V CB 0.814 32.572 31.823 -0.108 0.000 0.987 617 V HN 1.190 nan 8.190 nan 0.000 0.477 618 E N 3.043 123.202 120.200 -0.069 0.000 1.958 618 E HA 0.351 4.703 4.350 0.004 0.000 0.166 618 E C 0.797 177.374 176.600 -0.039 0.000 1.340 618 E CA -0.721 55.650 56.400 -0.050 0.000 0.910 618 E CB 0.375 30.050 29.700 -0.042 0.000 2.030 618 E HN 0.085 nan 8.360 nan 0.000 0.534 619 K N 0.466 120.853 120.400 -0.023 0.000 1.991 619 K HA -0.132 4.190 4.320 0.004 0.000 0.212 619 K C 1.711 178.301 176.600 -0.017 0.000 1.049 619 K CA 2.061 58.341 56.287 -0.011 0.000 0.932 619 K CB -0.257 32.244 32.500 0.002 0.000 0.717 619 K HN 0.352 nan 8.250 nan 0.000 0.441 620 K N -0.448 119.939 120.400 -0.021 0.000 2.127 620 K HA -0.163 4.159 4.320 0.004 0.000 0.208 620 K C 2.043 178.620 176.600 -0.039 0.000 1.047 620 K CA 2.132 58.404 56.287 -0.025 0.000 0.927 620 K CB -0.169 32.313 32.500 -0.030 0.000 0.716 620 K HN 0.274 nan 8.250 nan 0.000 0.450 621 T N -0.162 114.359 114.554 -0.056 0.000 2.901 621 T HA -0.031 4.321 4.350 0.004 0.000 0.252 621 T C 1.816 176.475 174.700 -0.069 0.000 1.035 621 T CA 0.849 62.903 62.100 -0.077 0.000 1.142 621 T CB 0.143 68.949 68.868 -0.102 0.000 0.869 621 T HN 0.036 nan 8.240 nan 0.000 0.442 622 V N 0.868 120.745 119.914 -0.062 0.000 3.661 622 V HA 0.448 4.570 4.120 0.004 0.000 0.271 622 V C 1.234 177.306 176.094 -0.037 0.000 1.315 622 V CA 0.301 62.559 62.300 -0.070 0.000 1.072 622 V CB -0.330 31.448 31.823 -0.075 0.000 0.830 622 V HN 0.471 nan 8.190 nan 0.000 0.443 623 G N 0.094 108.887 108.800 -0.011 0.000 2.588 623 G HA2 0.189 4.151 3.960 0.004 0.000 0.278 623 G HA3 0.189 4.151 3.960 0.004 0.000 0.278 623 G C 0.974 175.891 174.900 0.029 0.000 1.307 623 G CA 0.426 45.538 45.100 0.020 0.000 1.016 623 G HN 0.598 nan 8.290 nan 0.000 0.503 624 S N -0.837 114.889 115.700 0.043 0.000 2.803 624 S HA 0.054 4.527 4.470 0.004 0.000 0.226 624 S C 1.202 175.824 174.600 0.037 0.000 0.962 624 S CA 0.333 58.558 58.200 0.041 0.000 0.968 624 S CB -1.040 62.182 63.200 0.037 0.000 0.786 624 S HN 0.929 nan 8.310 nan 0.000 0.527 625 S N 1.336 117.057 115.700 0.035 0.000 2.566 625 S HA 0.149 4.622 4.470 0.004 0.000 0.280 625 S C 0.971 175.617 174.600 0.078 0.000 1.343 625 S CA -0.433 57.791 58.200 0.040 0.000 1.036 625 S CB 0.374 63.585 63.200 0.018 0.000 0.866 625 S HN 0.354 nan 8.310 nan 0.000 0.526 626 N N 2.196 120.953 118.700 0.094 0.000 2.109 626 N HA 0.022 4.765 4.740 0.004 0.000 0.188 626 N C 1.306 176.898 175.510 0.137 0.000 1.034 626 N CA 1.435 54.599 53.050 0.191 0.000 0.846 626 N CB -0.792 37.775 38.487 0.134 0.000 1.010 626 N HN 0.874 nan 8.380 nan 0.000 0.425 627 G N -0.323 108.494 108.800 0.027 0.000 3.717 627 G HA2 0.487 4.450 3.960 0.004 0.000 0.258 627 G HA3 0.487 4.450 3.960 0.004 0.000 0.258 627 G C 0.211 175.096 174.900 -0.024 0.000 1.088 627 G CA -0.018 45.063 45.100 -0.032 0.000 1.737 627 G HN 0.393 nan 8.290 nan 0.000 0.648 628 G N -0.565 108.241 108.800 0.010 0.000 3.075 628 G HA2 0.434 4.397 3.960 0.004 0.000 0.253 628 G HA3 0.434 4.397 3.960 0.004 0.000 0.253 628 G C 0.620 175.509 174.900 -0.020 0.000 1.353 628 G CA -0.693 44.401 45.100 -0.011 0.000 1.051 628 G HN 0.214 nan 8.290 nan 0.000 0.553 629 L N -0.566 120.626 121.223 -0.051 0.000 2.209 629 L HA 0.234 4.576 4.340 0.004 0.000 0.207 629 L C 2.617 179.445 176.870 -0.069 0.000 1.094 629 L CA 0.511 55.307 54.840 -0.074 0.000 0.790 629 L CB -0.157 41.836 42.059 -0.110 0.000 0.932 629 L HN 0.504 nan 8.230 nan 0.000 0.447 630 I N -1.176 119.347 120.570 -0.078 0.000 2.202 630 I HA -0.294 3.878 4.170 0.004 0.000 0.242 630 I C 2.537 178.661 176.117 0.012 0.000 1.091 630 I CA 0.813 62.055 61.300 -0.096 0.000 1.368 630 I CB -0.620 37.311 38.000 -0.114 0.000 1.058 630 I HN 0.348 nan 8.210 nan 0.000 0.410 631 H N 1.422 120.464 119.070 -0.045 0.000 2.265 631 H HA -0.159 4.400 4.556 0.004 0.000 0.295 631 H C 2.287 177.595 175.328 -0.032 0.000 1.084 631 H CA 2.138 58.168 56.048 -0.030 0.000 1.261 631 H CB -0.372 29.377 29.762 -0.022 0.000 1.360 631 H HN 0.048 nan 8.280 nan 0.000 0.487 632 V N 0.382 120.378 119.914 0.136 0.000 2.215 632 V HA -0.296 3.826 4.120 0.004 0.000 0.249 632 V C 2.992 179.117 176.094 0.051 0.000 1.054 632 V CA 2.048 64.378 62.300 0.050 0.000 1.012 632 V CB -1.109 30.716 31.823 0.004 0.000 0.639 632 V HN 0.274 nan 8.190 nan 0.000 0.448 633 V N 0.075 120.000 119.914 0.018 0.000 2.527 633 V HA -0.308 3.815 4.120 0.004 0.000 0.255 633 V C 2.447 178.553 176.094 0.020 0.000 1.081 633 V CA 2.540 64.843 62.300 0.005 0.000 1.092 633 V CB -1.163 30.641 31.823 -0.031 0.000 0.673 633 V HN 0.718 nan 8.190 nan 0.000 0.470 634 T N -0.856 113.718 114.554 0.033 0.000 2.770 634 T HA -0.082 4.270 4.350 0.004 0.000 0.263 634 T C 2.075 176.794 174.700 0.032 0.000 1.039 634 T CA 0.821 62.937 62.100 0.027 0.000 1.142 634 T CB -0.174 68.697 68.868 0.004 0.000 0.868 634 T HN 0.292 nan 8.240 nan 0.000 0.435 635 R N 0.835 121.370 120.500 0.059 0.000 2.193 635 R HA 0.143 4.486 4.340 0.004 0.000 0.213 635 R C 2.094 178.420 176.300 0.044 0.000 1.055 635 R CA 0.825 56.956 56.100 0.052 0.000 0.995 635 R CB -0.159 30.186 30.300 0.076 0.000 0.893 635 R HN 0.439 nan 8.270 nan 0.000 0.459 636 E N -0.009 120.216 120.200 0.043 0.000 2.276 636 E HA 0.014 4.367 4.350 0.004 0.000 0.193 636 E C 1.158 177.784 176.600 0.042 0.000 0.983 636 E CA 0.712 57.138 56.400 0.042 0.000 0.861 636 E CB 0.481 30.205 29.700 0.041 0.000 0.817 636 E HN -0.084 nan 8.360 nan 0.000 0.485 637 K N -1.316 119.105 120.400 0.035 0.000 2.548 637 K HA 0.327 4.649 4.320 0.004 0.000 0.209 637 K C 0.220 176.839 176.600 0.031 0.000 1.420 637 K CA 0.709 57.016 56.287 0.032 0.000 0.985 637 K CB 1.927 34.441 32.500 0.024 0.000 1.249 637 K HN 0.137 nan 8.250 nan 0.000 0.557 638 G N 1.900 110.718 108.800 0.030 0.000 2.440 638 G HA2 -0.107 3.856 3.960 0.004 0.000 0.684 638 G HA3 -0.107 3.856 3.960 0.004 0.000 0.684 638 G C -2.650 172.266 174.900 0.027 0.000 1.309 638 G CA -0.482 44.636 45.100 0.029 0.000 0.931 638 G HN -0.215 nan 8.290 nan 0.000 0.612 639 P HA -0.030 nan 4.420 nan 0.000 0.219 639 P C 1.531 178.850 177.300 0.031 0.000 1.154 639 P CA 1.114 64.229 63.100 0.025 0.000 0.826 639 P CB 0.158 31.866 31.700 0.013 0.000 0.795 640 Q N 0.010 119.825 119.800 0.025 0.000 2.050 640 Q HA -0.067 4.276 4.340 0.004 0.000 0.202 640 Q C 2.224 178.245 176.000 0.034 0.000 0.980 640 Q CA 1.406 57.224 55.803 0.025 0.000 0.840 640 Q CB -0.933 27.816 28.738 0.018 0.000 0.898 640 Q HN 0.149 nan 8.270 nan 0.000 0.424 641 V N -0.001 119.932 119.914 0.032 0.000 2.809 641 V HA -0.180 3.943 4.120 0.004 0.000 0.256 641 V C 2.326 178.442 176.094 0.036 0.000 1.080 641 V CA 1.326 63.645 62.300 0.032 0.000 1.102 641 V CB -0.475 31.364 31.823 0.025 0.000 0.705 641 V HN 0.438 nan 8.190 nan 0.000 0.475 642 C N 0.423 119.751 119.300 0.046 0.000 2.507 642 C HA 0.260 4.722 4.460 0.004 0.000 0.280 642 C C 3.051 178.120 174.990 0.133 0.000 1.345 642 C CA 0.534 59.584 59.018 0.052 0.000 1.736 642 C CB -0.850 26.920 27.740 0.050 0.000 2.060 642 C HN 0.530 nan 8.230 nan 0.000 0.498 643 A N 0.480 123.396 122.820 0.160 0.000 1.940 643 A HA -0.200 4.122 4.320 0.004 0.000 0.219 643 A C 2.267 179.981 177.584 0.218 0.000 1.176 643 A CA 1.993 54.168 52.037 0.231 0.000 0.631 643 A CB -0.723 18.333 19.000 0.094 0.000 0.814 643 A HN 0.733 nan 8.150 nan 0.000 0.446 644 K N -0.943 119.531 120.400 0.124 0.000 2.209 644 K HA -0.114 4.208 4.320 0.004 0.000 0.204 644 K C 1.831 178.489 176.600 0.097 0.000 1.048 644 K CA 1.151 57.496 56.287 0.098 0.000 0.940 644 K CB -0.243 32.294 32.500 0.062 0.000 0.729 644 K HN 0.396 nan 8.250 nan 0.000 0.451 645 L N 0.568 121.832 121.223 0.068 0.000 2.046 645 L HA -0.137 4.206 4.340 0.004 0.000 0.208 645 L C 1.601 178.457 176.870 -0.023 0.000 1.077 645 L CA 1.684 56.514 54.840 -0.017 0.000 0.747 645 L CB -0.681 41.313 42.059 -0.109 0.000 0.896 645 L HN 0.095 nan 8.230 nan 0.000 0.432 646 F N 0.276 120.231 119.950 0.010 0.000 2.043 646 F HA -0.208 4.322 4.527 0.005 0.000 0.297 646 F C 2.528 178.339 175.800 0.017 0.000 1.121 646 F CA 2.054 60.061 58.000 0.012 0.000 1.199 646 F CB -1.324 37.685 39.000 0.014 0.000 0.968 646 F HN 0.226 nan 8.300 nan 0.000 0.478 647 G N -0.415 108.527 108.800 0.235 0.000 2.469 647 G HA2 -0.314 3.649 3.960 0.004 0.000 0.219 647 G HA3 -0.314 3.649 3.960 0.004 0.000 0.219 647 G C 1.528 176.490 174.900 0.103 0.000 1.150 647 G CA 1.352 46.539 45.100 0.146 0.000 0.763 647 G HN 0.267 nan 8.290 nan 0.000 0.561 648 N N 0.864 119.614 118.700 0.083 0.000 2.039 648 N HA -0.070 4.672 4.740 0.004 0.000 0.193 648 N C 2.269 177.797 175.510 0.030 0.000 1.044 648 N CA 1.133 54.218 53.050 0.058 0.000 0.847 648 N CB -0.494 38.019 38.487 0.043 0.000 1.030 648 N HN 0.383 nan 8.380 nan 0.000 0.422 649 I N 1.087 121.663 120.570 0.010 0.000 2.151 649 I HA -0.333 3.839 4.170 0.004 0.000 0.243 649 I C 2.337 178.458 176.117 0.007 0.000 1.080 649 I CA 1.305 62.599 61.300 -0.011 0.000 1.339 649 I CB -0.385 37.590 38.000 -0.042 0.000 1.039 649 I HN 0.192 nan 8.210 nan 0.000 0.409 650 Q N 1.094 120.918 119.800 0.040 0.000 1.917 650 Q HA -0.229 4.114 4.340 0.004 0.000 0.205 650 Q C 2.248 178.227 176.000 -0.035 0.000 0.988 650 Q CA 1.860 57.682 55.803 0.031 0.000 0.851 650 Q CB -0.124 28.657 28.738 0.073 0.000 0.916 650 Q HN 0.305 nan 8.270 nan 0.000 0.424 651 K N -0.421 119.955 120.400 -0.039 0.000 2.189 651 K HA -0.225 4.098 4.320 0.004 0.000 0.207 651 K C 1.911 178.305 176.600 -0.345 0.000 1.046 651 K CA 1.584 57.768 56.287 -0.171 0.000 0.928 651 K CB -0.166 32.382 32.500 0.080 0.000 0.720 651 K HN 0.069 nan 8.250 nan 0.000 0.458 652 V N -0.130 119.698 119.914 -0.142 0.000 2.300 652 V HA -0.167 3.955 4.120 0.004 0.000 0.241 652 V C 2.136 178.221 176.094 -0.015 0.000 1.034 652 V CA 1.190 63.424 62.300 -0.111 0.000 1.021 652 V CB -0.199 31.599 31.823 -0.043 0.000 0.662 652 V HN 0.038 nan 8.190 nan 0.000 0.458 653 V N 1.333 121.251 119.914 0.006 0.000 2.282 653 V HA -0.299 3.823 4.120 0.004 0.000 0.249 653 V C 2.402 178.559 176.094 0.105 0.000 1.057 653 V CA 2.315 64.662 62.300 0.079 0.000 1.032 653 V CB -1.010 30.839 31.823 0.044 0.000 0.645 653 V HN 0.587 nan 8.190 nan 0.000 0.447 654 N N -0.009 118.695 118.700 0.006 0.000 2.036 654 N HA -0.244 4.498 4.740 0.004 0.000 0.195 654 N C 1.766 177.251 175.510 -0.042 0.000 1.037 654 N CA 2.109 55.140 53.050 -0.031 0.000 0.855 654 N CB -0.719 37.710 38.487 -0.097 0.000 1.033 654 N HN 0.552 nan 8.380 nan 0.000 0.423 655 F N 0.430 120.209 119.950 -0.284 0.000 2.120 655 F HA -0.214 4.316 4.527 0.004 0.000 0.300 655 F C 2.378 178.142 175.800 -0.060 0.000 1.095 655 F CA 1.509 59.328 58.000 -0.302 0.000 1.249 655 F CB -0.375 38.218 39.000 -0.679 0.000 0.995 655 F HN 0.145 nan 8.300 nan 0.000 0.480 656 W N 0.733 121.974 121.300 -0.098 0.000 2.380 656 W HA -0.180 4.482 4.660 0.004 0.000 0.317 656 W C 2.222 178.678 176.519 -0.105 0.000 1.196 656 W CA 1.923 59.195 57.345 -0.123 0.000 1.307 656 W CB -0.986 28.461 29.460 -0.022 0.000 1.157 656 W HN 0.133 nan 8.180 nan 0.000 0.483 657 L N 1.019 122.196 121.223 -0.077 0.000 2.013 657 L HA -0.232 4.111 4.340 0.004 0.000 0.212 657 L C 2.529 179.236 176.870 -0.271 0.000 1.073 657 L CA 2.262 56.945 54.840 -0.261 0.000 0.753 657 L CB -1.434 40.614 42.059 -0.019 0.000 0.890 657 L HN 0.217 nan 8.230 nan 0.000 0.432 658 L N -1.433 119.684 121.223 -0.176 0.000 2.263 658 L HA -0.263 4.079 4.340 0.004 0.000 0.216 658 L C 1.734 178.440 176.870 -0.272 0.000 1.111 658 L CA 1.976 56.715 54.840 -0.169 0.000 0.773 658 L CB -0.595 41.398 42.059 -0.109 0.000 0.906 658 L HN 0.463 nan 8.230 nan 0.000 0.439 659 H N -2.883 115.904 119.070 -0.470 0.000 2.788 659 H HA 0.192 4.751 4.556 0.004 0.000 0.262 659 H C 1.933 176.982 175.328 -0.466 0.000 0.968 659 H CA 0.777 56.561 56.048 -0.440 0.000 1.218 659 H CB 0.143 29.619 29.762 -0.477 0.000 1.443 659 H HN 0.389 nan 8.280 nan 0.000 0.478 660 N N 0.282 118.618 118.700 -0.607 0.000 2.173 660 N HA 0.043 4.786 4.740 0.004 0.000 0.184 660 N C 0.311 175.603 175.510 -0.364 0.000 1.025 660 N CA 1.034 53.680 53.050 -0.673 0.000 0.852 660 N CB 0.463 38.073 38.487 -1.462 0.000 0.998 660 N HN 0.392 nan 8.380 nan 0.000 0.427 661 G N -0.609 108.014 108.800 -0.296 0.000 2.721 661 G HA2 -0.061 3.902 3.960 0.004 0.000 0.686 661 G HA3 -0.061 3.902 3.960 0.004 0.000 0.686 661 G C -1.211 173.706 174.900 0.027 0.000 1.236 661 G CA -0.181 44.843 45.100 -0.126 0.000 0.786 661 G HN 0.411 nan 8.290 nan 0.000 0.616 662 F N 1.650 121.530 119.950 -0.116 0.000 2.622 662 F HA 0.788 5.317 4.527 0.004 0.000 0.318 662 F C -0.256 175.514 175.800 -0.050 0.000 1.135 662 F CA 0.010 57.968 58.000 -0.070 0.000 1.015 662 F CB 1.752 40.721 39.000 -0.051 0.000 1.275 662 F HN 1.230 nan 8.300 nan 0.000 0.457 663 S N 2.455 117.733 115.700 -0.703 0.000 2.840 663 S HA 0.948 5.421 4.470 0.004 0.000 0.307 663 S C -1.570 172.683 174.600 -0.579 0.000 1.180 663 S CA -0.284 57.588 58.200 -0.546 0.000 0.846 663 S CB 1.997 65.051 63.200 -0.244 0.000 1.233 663 S HN 0.806 nan 8.310 nan 0.000 0.548 664 T N 0.513 114.876 114.554 -0.318 0.000 3.291 664 T HA 0.648 5.001 4.350 0.004 0.000 0.344 664 T C -0.499 174.126 174.700 -0.124 0.000 1.293 664 T CA -0.367 61.607 62.100 -0.209 0.000 1.108 664 T CB 1.226 69.974 68.868 -0.201 0.000 1.231 664 T HN 0.985 nan 8.240 nan 0.000 0.474 665 G N 0.562 109.314 108.800 -0.081 0.000 2.725 665 G HA2 0.581 4.543 3.960 0.004 0.000 0.288 665 G HA3 0.581 4.543 3.960 0.004 0.000 0.288 665 G C 0.660 175.540 174.900 -0.034 0.000 1.399 665 G CA -0.960 44.107 45.100 -0.055 0.000 0.859 665 G HN 0.728 nan 8.290 nan 0.000 0.479 666 I N -0.722 119.834 120.570 -0.024 0.000 2.800 666 I HA 0.073 4.245 4.170 0.004 0.000 0.266 666 I C 2.277 178.392 176.117 -0.004 0.000 1.249 666 I CA 1.320 62.613 61.300 -0.011 0.000 1.458 666 I CB -0.810 37.186 38.000 -0.007 0.000 1.093 666 I HN 0.449 nan 8.210 nan 0.000 0.466 667 G N 0.420 109.216 108.800 -0.008 0.000 2.471 667 G HA2 -0.154 3.809 3.960 0.004 0.000 0.219 667 G HA3 -0.154 3.809 3.960 0.004 0.000 0.219 667 G C 1.058 175.961 174.900 0.005 0.000 1.125 667 G CA 0.532 45.631 45.100 -0.001 0.000 0.775 667 G HN 0.410 nan 8.290 nan 0.000 0.548 668 D N 0.320 120.721 120.400 0.002 0.000 2.325 668 D HA 0.075 4.717 4.640 0.004 0.000 0.234 668 D C 1.172 177.485 176.300 0.020 0.000 1.122 668 D CA 0.636 54.643 54.000 0.012 0.000 0.850 668 D CB 0.232 41.035 40.800 0.005 0.000 0.921 668 D HN 0.412 nan 8.370 nan 0.000 0.513 669 T N -1.773 112.793 114.554 0.019 0.000 3.794 669 T HA 0.351 4.704 4.350 0.004 0.000 0.300 669 T C 0.272 174.988 174.700 0.026 0.000 0.961 669 T CA -0.371 61.745 62.100 0.027 0.000 1.025 669 T CB -0.468 68.418 68.868 0.030 0.000 1.175 669 T HN -0.064 nan 8.240 nan 0.000 0.474 670 I N 1.743 122.327 120.570 0.023 0.000 2.439 670 I HA 0.718 4.890 4.170 0.004 0.000 0.283 670 I C 0.526 176.657 176.117 0.023 0.000 1.023 670 I CA -1.177 60.135 61.300 0.021 0.000 1.100 670 I CB 1.481 39.491 38.000 0.016 0.000 1.238 670 I HN 0.325 nan 8.210 nan 0.000 0.445 671 A N 4.381 127.215 122.820 0.025 0.000 2.240 671 A HA 0.446 4.769 4.320 0.004 0.000 0.292 671 A C -0.069 177.529 177.584 0.023 0.000 1.121 671 A CA -0.408 51.645 52.037 0.026 0.000 0.851 671 A CB 0.356 19.374 19.000 0.030 0.000 1.167 671 A HN 0.626 nan 8.150 nan 0.000 0.503 672 D N -0.793 119.621 120.400 0.023 0.000 2.319 672 D HA 0.260 4.903 4.640 0.004 0.000 0.235 672 D C 1.619 177.930 176.300 0.019 0.000 1.304 672 D CA 1.279 55.291 54.000 0.021 0.000 0.894 672 D CB 0.288 41.100 40.800 0.021 0.000 1.183 672 D HN 0.518 nan 8.370 nan 0.000 0.472 673 G N 0.384 109.194 108.800 0.017 0.000 2.404 673 G HA2 -0.118 3.844 3.960 0.004 0.000 0.214 673 G HA3 -0.118 3.844 3.960 0.004 0.000 0.214 673 G C -0.908 174.002 174.900 0.016 0.000 1.189 673 G CA 0.322 45.432 45.100 0.016 0.000 0.789 673 G HN 0.448 nan 8.290 nan 0.000 0.533 674 P HA -0.048 nan 4.420 nan 0.000 0.215 674 P C 1.793 179.105 177.300 0.019 0.000 1.157 674 P CA 1.487 64.597 63.100 0.017 0.000 0.859 674 P CB -0.312 31.397 31.700 0.016 0.000 0.786 675 T N 0.040 114.606 114.554 0.021 0.000 2.759 675 T HA -0.102 4.251 4.350 0.004 0.000 0.269 675 T C 1.977 176.692 174.700 0.025 0.000 1.042 675 T CA 1.291 63.406 62.100 0.024 0.000 1.140 675 T CB -0.477 68.407 68.868 0.027 0.000 0.864 675 T HN -0.035 nan 8.240 nan 0.000 0.455 676 M N 0.539 120.153 119.600 0.023 0.000 2.132 676 M HA 0.027 4.510 4.480 0.004 0.000 0.263 676 M C 2.397 178.710 176.300 0.022 0.000 1.065 676 M CA 1.347 56.660 55.300 0.022 0.000 1.122 676 M CB -0.861 31.751 32.600 0.020 0.000 1.365 676 M HN 0.152 nan 8.290 nan 0.000 0.411 677 R N 0.178 120.690 120.500 0.020 0.000 2.081 677 R HA -0.189 4.153 4.340 0.004 0.000 0.235 677 R C 1.950 178.263 176.300 0.020 0.000 1.131 677 R CA 1.737 57.849 56.100 0.019 0.000 0.960 677 R CB -0.173 30.137 30.300 0.017 0.000 0.856 677 R HN 0.421 nan 8.270 nan 0.000 0.436 678 E N 0.135 120.348 120.200 0.021 0.000 2.338 678 E HA -0.146 4.206 4.350 0.004 0.000 0.197 678 E C 1.684 178.299 176.600 0.025 0.000 1.007 678 E CA 0.781 57.194 56.400 0.021 0.000 0.849 678 E CB 0.056 29.768 29.700 0.021 0.000 0.774 678 E HN 0.408 nan 8.360 nan 0.000 0.506 679 I N 0.078 120.665 120.570 0.029 0.000 2.296 679 I HA -0.174 3.999 4.170 0.004 0.000 0.242 679 I C 2.115 178.254 176.117 0.036 0.000 1.087 679 I CA 1.251 62.572 61.300 0.035 0.000 1.393 679 I CB -0.288 37.733 38.000 0.035 0.000 1.093 679 I HN 0.116 nan 8.210 nan 0.000 0.421 680 T N 0.634 115.208 114.554 0.033 0.000 2.929 680 T HA -0.192 4.160 4.350 0.004 0.000 0.271 680 T C 1.593 176.311 174.700 0.030 0.000 1.085 680 T CA 1.499 63.620 62.100 0.035 0.000 1.125 680 T CB -0.424 68.463 68.868 0.031 0.000 0.874 680 T HN 0.582 nan 8.240 nan 0.000 0.494 681 E N 1.298 121.512 120.200 0.023 0.000 2.112 681 E HA -0.100 4.253 4.350 0.004 0.000 0.190 681 E C 1.706 178.313 176.600 0.012 0.000 0.979 681 E CA 1.218 57.628 56.400 0.016 0.000 0.814 681 E CB -0.567 29.141 29.700 0.013 0.000 0.762 681 E HN 0.323 nan 8.360 nan 0.000 0.460 682 T N 0.954 115.519 114.554 0.018 0.000 3.055 682 T HA 0.121 4.474 4.350 0.004 0.000 0.265 682 T C 1.731 176.440 174.700 0.015 0.000 1.111 682 T CA 0.560 62.669 62.100 0.015 0.000 1.118 682 T CB -0.008 68.875 68.868 0.025 0.000 0.909 682 T HN 0.185 nan 8.240 nan 0.000 0.501 683 I N 0.932 121.520 120.570 0.030 0.000 3.226 683 I HA 0.071 4.244 4.170 0.004 0.000 0.277 683 I C 2.670 178.791 176.117 0.007 0.000 1.243 683 I CA 0.216 61.538 61.300 0.037 0.000 1.459 683 I CB -0.234 37.825 38.000 0.098 0.000 1.093 683 I HN 0.186 nan 8.210 nan 0.000 0.453 684 A N 1.664 124.487 122.820 0.006 0.000 1.872 684 A HA -0.196 4.126 4.320 0.004 0.000 0.214 684 A C 2.190 179.755 177.584 -0.031 0.000 1.187 684 A CA 1.559 53.593 52.037 -0.005 0.000 0.614 684 A CB -0.535 18.467 19.000 0.004 0.000 0.826 684 A HN 0.571 nan 8.150 nan 0.000 0.442 685 E N -0.171 120.007 120.200 -0.036 0.000 2.347 685 E HA 0.133 4.486 4.350 0.004 0.000 0.196 685 E C 1.620 178.160 176.600 -0.100 0.000 1.008 685 E CA 0.803 57.167 56.400 -0.060 0.000 0.852 685 E CB -0.232 29.439 29.700 -0.048 0.000 0.783 685 E HN 0.448 nan 8.360 nan 0.000 0.505 686 A N 1.241 124.007 122.820 -0.091 0.000 2.123 686 A HA 0.014 4.336 4.320 0.004 0.000 0.214 686 A C 1.958 179.439 177.584 -0.171 0.000 1.152 686 A CA 0.630 52.588 52.037 -0.131 0.000 0.728 686 A CB -0.053 18.895 19.000 -0.087 0.000 0.814 686 A HN 0.090 nan 8.150 nan 0.000 0.464 687 K N -0.312 120.010 120.400 -0.130 0.000 2.128 687 K HA 0.048 4.371 4.320 0.004 0.000 0.202 687 K C 1.795 178.329 176.600 -0.109 0.000 1.050 687 K CA 0.933 57.147 56.287 -0.122 0.000 0.966 687 K CB -0.033 32.426 32.500 -0.069 0.000 0.759 687 K HN 0.286 nan 8.250 nan 0.000 0.454 688 K N 1.109 121.450 120.400 -0.098 0.000 2.211 688 K HA -0.101 4.221 4.320 0.004 0.000 0.203 688 K C 1.938 178.452 176.600 -0.144 0.000 1.050 688 K CA 0.943 57.176 56.287 -0.090 0.000 0.945 688 K CB 0.118 32.577 32.500 -0.067 0.000 0.732 688 K HN -0.005 nan 8.250 nan 0.000 0.451 689 K N 0.639 120.901 120.400 -0.230 0.000 2.147 689 K HA -0.108 4.214 4.320 0.004 0.000 0.205 689 K C 1.734 178.066 176.600 -0.446 0.000 1.049 689 K CA 0.884 56.926 56.287 -0.408 0.000 0.936 689 K CB 0.222 32.366 32.500 -0.594 0.000 0.722 689 K HN -0.052 nan 8.250 nan 0.000 0.446 690 V N 1.219 120.968 119.914 -0.275 0.000 2.302 690 V HA -0.217 3.906 4.120 0.004 0.000 0.243 690 V C 2.166 178.244 176.094 -0.026 0.000 1.036 690 V CA 1.316 63.545 62.300 -0.119 0.000 1.020 690 V CB -0.398 31.375 31.823 -0.085 0.000 0.657 690 V HN 0.329 nan 8.190 nan 0.000 0.453 691 L N 0.610 121.818 121.223 -0.026 0.000 2.013 691 L HA -0.247 4.096 4.340 0.004 0.000 0.212 691 L C 2.150 179.040 176.870 0.033 0.000 1.073 691 L CA 2.315 57.169 54.840 0.023 0.000 0.753 691 L CB -0.900 41.161 42.059 0.004 0.000 0.890 691 L HN 0.330 nan 8.230 nan 0.000 0.432 692 D N -0.420 119.973 120.400 -0.012 0.000 2.092 692 D HA -0.127 4.516 4.640 0.004 0.000 0.193 692 D C 1.624 177.947 176.300 0.039 0.000 0.994 692 D CA 1.703 55.701 54.000 -0.003 0.000 0.828 692 D CB -0.304 40.470 40.800 -0.043 0.000 0.963 692 D HN 0.285 nan 8.370 nan 0.000 0.450 693 V N 1.316 121.258 119.914 0.046 0.000 3.273 693 V HA 0.023 4.146 4.120 0.004 0.000 0.379 693 V C 1.098 177.348 176.094 0.262 0.000 1.256 693 V CA 0.843 63.225 62.300 0.136 0.000 1.455 693 V CB -0.415 31.514 31.823 0.177 0.000 1.247 693 V HN 0.157 nan 8.190 nan 0.000 0.469 694 T N -1.584 113.116 114.554 0.244 0.000 3.010 694 T HA 0.094 4.446 4.350 0.004 0.000 0.253 694 T C 1.740 176.513 174.700 0.123 0.000 0.939 694 T CA -0.179 62.127 62.100 0.344 0.000 0.910 694 T CB 0.441 69.499 68.868 0.318 0.000 1.226 694 T HN 0.359 nan 8.240 nan 0.000 0.508 695 K N 1.338 121.789 120.400 0.085 0.000 2.137 695 K HA 0.091 4.414 4.320 0.004 0.000 0.202 695 K C 2.093 178.713 176.600 0.033 0.000 1.052 695 K CA 0.809 57.120 56.287 0.039 0.000 0.961 695 K CB 0.085 32.603 32.500 0.031 0.000 0.741 695 K HN 0.119 nan 8.250 nan 0.000 0.452 696 E N 1.080 121.313 120.200 0.055 0.000 2.070 696 E HA -0.212 4.141 4.350 0.004 0.000 0.197 696 E C 1.720 178.344 176.600 0.039 0.000 1.004 696 E CA 1.773 58.204 56.400 0.050 0.000 0.805 696 E CB -0.097 29.648 29.700 0.074 0.000 0.744 696 E HN 0.343 nan 8.360 nan 0.000 0.451 697 A N -0.269 122.584 122.820 0.055 0.000 2.119 697 A HA -0.123 4.199 4.320 0.004 0.000 0.217 697 A C 1.866 179.399 177.584 -0.084 0.000 1.153 697 A CA 1.104 53.138 52.037 -0.006 0.000 0.692 697 A CB -0.164 18.829 19.000 -0.012 0.000 0.799 697 A HN 0.255 nan 8.150 nan 0.000 0.458 698 Q N -1.343 118.419 119.800 -0.064 0.000 2.376 698 Q HA 0.235 4.578 4.340 0.004 0.000 0.206 698 Q C 1.596 177.572 176.000 -0.040 0.000 0.921 698 Q CA 0.604 56.363 55.803 -0.073 0.000 0.911 698 Q CB 0.101 28.804 28.738 -0.059 0.000 1.032 698 Q HN 0.592 nan 8.270 nan 0.000 0.510 699 A N 0.725 123.533 122.820 -0.021 0.000 2.415 699 A HA 0.092 4.415 4.320 0.004 0.000 0.248 699 A C 0.148 177.725 177.584 -0.012 0.000 1.299 699 A CA -0.098 51.932 52.037 -0.012 0.000 0.899 699 A CB -0.537 18.462 19.000 -0.002 0.000 0.997 699 A HN 0.547 nan 8.150 nan 0.000 0.506 700 N N -1.055 117.632 118.700 -0.021 0.000 2.725 700 N HA -0.152 4.590 4.740 0.004 0.000 0.251 700 N C 0.280 175.786 175.510 -0.007 0.000 1.031 700 N CA 0.570 53.609 53.050 -0.018 0.000 0.720 700 N CB -0.939 37.536 38.487 -0.019 0.000 0.930 700 N HN 0.521 nan 8.380 nan 0.000 0.543 701 L N -0.559 120.665 121.223 0.002 0.000 2.731 701 L HA 0.274 4.616 4.340 0.004 0.000 0.240 701 L C 0.762 177.642 176.870 0.016 0.000 1.120 701 L CA -0.266 54.579 54.840 0.009 0.000 0.913 701 L CB 0.196 42.263 42.059 0.012 0.000 1.213 701 L HN 0.264 nan 8.230 nan 0.000 0.515 702 L N 0.841 122.076 121.223 0.021 0.000 2.453 702 L HA 0.073 4.416 4.340 0.004 0.000 0.272 702 L C 0.428 177.307 176.870 0.015 0.000 1.182 702 L CA 0.308 55.168 54.840 0.032 0.000 0.858 702 L CB 0.999 43.088 42.059 0.051 0.000 1.120 702 L HN 0.098 nan 8.230 nan 0.000 0.474 703 T N 2.264 116.825 114.554 0.012 0.000 2.882 703 T HA 0.195 4.547 4.350 0.004 0.000 0.287 703 T C 1.024 175.715 174.700 -0.016 0.000 1.014 703 T CA -0.051 62.044 62.100 -0.009 0.000 1.049 703 T CB 1.673 70.529 68.868 -0.020 0.000 1.001 703 T HN 0.754 nan 8.240 nan 0.000 0.525 704 A N 1.592 124.390 122.820 -0.037 0.000 2.016 704 A HA 0.135 4.457 4.320 0.004 0.000 0.217 704 A C 0.630 178.186 177.584 -0.047 0.000 1.162 704 A CA 0.621 52.638 52.037 -0.034 0.000 0.662 704 A CB -0.341 18.637 19.000 -0.037 0.000 0.812 704 A HN 0.776 nan 8.150 nan 0.000 0.450 705 K N -1.639 118.699 120.400 -0.104 0.000 5.248 705 K HA -0.148 4.175 4.320 0.004 0.000 0.573 705 K C -0.079 176.427 176.600 -0.156 0.000 2.577 705 K CA 0.898 57.102 56.287 -0.138 0.000 2.028 705 K CB -1.015 31.470 32.500 -0.025 0.000 2.551 705 K HN 0.688 nan 8.250 nan 0.000 0.155 706 H N 0.268 119.355 119.070 0.029 0.000 2.491 706 H HA -0.047 4.512 4.556 0.004 0.000 0.290 706 H C 1.729 177.073 175.328 0.027 0.000 1.050 706 H CA 1.541 57.607 56.048 0.030 0.000 1.309 706 H CB 0.120 29.905 29.762 0.038 0.000 1.392 706 H HN 0.690 nan 8.280 nan 0.000 0.554 707 G N 0.746 109.625 108.800 0.131 0.000 3.295 707 G HA2 0.226 4.189 3.960 0.004 0.000 0.231 707 G HA3 0.226 4.189 3.960 0.004 0.000 0.231 707 G C -0.221 174.717 174.900 0.063 0.000 1.277 707 G CA -0.260 44.895 45.100 0.093 0.000 1.013 707 G HN 0.159 nan 8.290 nan 0.000 0.509 708 M N -0.783 118.848 119.600 0.051 0.000 4.219 708 M HA -0.166 4.317 4.480 0.004 0.000 0.157 708 M C 0.570 176.890 176.300 0.034 0.000 1.505 708 M CA 0.804 56.127 55.300 0.039 0.000 1.106 708 M CB -1.869 30.758 32.600 0.044 0.000 1.323 708 M HN 0.348 nan 8.290 nan 0.000 0.190 709 T N 1.872 116.441 114.554 0.026 0.000 0.582 709 T HA -0.116 4.237 4.350 0.004 0.000 0.769 709 T C 0.941 175.659 174.700 0.029 0.000 0.992 709 T CA 0.308 62.423 62.100 0.026 0.000 4.053 709 T CB -0.438 68.451 68.868 0.034 0.000 2.289 709 T HN 0.724 nan 8.240 nan 0.000 0.395 710 L N 2.916 124.150 121.223 0.019 0.000 2.043 710 L HA -0.113 4.230 4.340 0.004 0.000 0.212 710 L C 2.751 179.649 176.870 0.047 0.000 1.075 710 L CA 1.816 56.670 54.840 0.023 0.000 0.752 710 L CB -0.539 41.520 42.059 -0.001 0.000 0.891 710 L HN 0.578 nan 8.230 nan 0.000 0.432 711 R N -0.131 120.383 120.500 0.023 0.000 2.115 711 R HA -0.126 4.217 4.340 0.004 0.000 0.230 711 R C 2.223 178.590 176.300 0.112 0.000 1.111 711 R CA 1.228 57.347 56.100 0.031 0.000 0.976 711 R CB -0.230 30.065 30.300 -0.008 0.000 0.870 711 R HN 0.549 nan 8.270 nan 0.000 0.445 712 E N -0.340 119.910 120.200 0.083 0.000 2.208 712 E HA -0.044 4.309 4.350 0.004 0.000 0.193 712 E C 1.465 178.111 176.600 0.076 0.000 0.988 712 E CA 0.781 57.230 56.400 0.082 0.000 0.828 712 E CB 0.208 29.946 29.700 0.063 0.000 0.763 712 E HN 0.124 nan 8.360 nan 0.000 0.478 713 S N 0.093 115.839 115.700 0.077 0.000 2.558 713 S HA 0.006 4.479 4.470 0.004 0.000 0.217 713 S C 1.151 175.797 174.600 0.076 0.000 0.975 713 S CA -0.078 58.153 58.200 0.053 0.000 0.912 713 S CB 0.023 63.247 63.200 0.039 0.000 0.776 713 S HN 0.281 nan 8.310 nan 0.000 0.526 714 F N 2.492 122.425 119.950 -0.029 0.000 2.317 714 F HA 0.132 4.662 4.527 0.004 0.000 0.293 714 F C 2.065 177.852 175.800 -0.023 0.000 1.085 714 F CA 0.912 58.895 58.000 -0.029 0.000 1.390 714 F CB 0.028 38.991 39.000 -0.061 0.000 1.077 714 F HN -0.002 nan 8.300 nan 0.000 0.517 715 E N 0.671 120.876 120.200 0.008 0.000 2.047 715 E HA -0.222 4.130 4.350 0.004 0.000 0.191 715 E C 1.810 178.318 176.600 -0.152 0.000 0.987 715 E CA 1.483 57.834 56.400 -0.082 0.000 0.799 715 E CB -0.861 28.875 29.700 0.061 0.000 0.752 715 E HN 0.520 nan 8.360 nan 0.000 0.449 716 D N 1.165 121.508 120.400 -0.095 0.000 2.126 716 D HA -0.211 4.431 4.640 0.004 0.000 0.190 716 D C 1.601 177.750 176.300 -0.253 0.000 1.001 716 D CA 1.768 55.695 54.000 -0.122 0.000 0.841 716 D CB -0.303 40.456 40.800 -0.068 0.000 0.949 716 D HN -0.035 nan 8.370 nan 0.000 0.446 717 N N -0.727 117.793 118.700 -0.299 0.000 2.104 717 N HA -0.122 4.621 4.740 0.004 0.000 0.190 717 N C 1.875 176.986 175.510 -0.665 0.000 1.024 717 N CA 1.342 54.090 53.050 -0.504 0.000 0.853 717 N CB -0.343 37.981 38.487 -0.272 0.000 1.008 717 N HN 0.168 nan 8.380 nan 0.000 0.424 718 V N -0.163 119.483 119.914 -0.447 0.000 2.283 718 V HA -0.139 3.984 4.120 0.004 0.000 0.243 718 V C 2.280 178.248 176.094 -0.209 0.000 1.039 718 V CA 1.088 63.212 62.300 -0.293 0.000 1.016 718 V CB -0.561 30.998 31.823 -0.440 0.000 0.650 718 V HN 0.083 nan 8.190 nan 0.000 0.449 719 V N -0.025 119.766 119.914 -0.204 0.000 2.324 719 V HA -0.299 3.824 4.120 0.004 0.000 0.250 719 V C 2.452 178.465 176.094 -0.136 0.000 1.060 719 V CA 2.263 64.488 62.300 -0.125 0.000 1.042 719 V CB -0.797 30.971 31.823 -0.091 0.000 0.650 719 V HN 0.438 nan 8.190 nan 0.000 0.450 720 R N -1.566 118.783 120.500 -0.251 0.000 2.339 720 R HA 0.024 4.366 4.340 0.004 0.000 0.199 720 R C 1.856 178.011 176.300 -0.241 0.000 1.018 720 R CA 0.701 56.645 56.100 -0.260 0.000 1.036 720 R CB -0.084 30.007 30.300 -0.348 0.000 0.899 720 R HN 0.571 nan 8.270 nan 0.000 0.473 721 F N -1.328 118.560 119.950 -0.103 0.000 2.559 721 F HA 0.038 4.567 4.527 0.004 0.000 0.286 721 F C 1.693 177.410 175.800 -0.138 0.000 1.108 721 F CA -0.008 57.923 58.000 -0.115 0.000 1.436 721 F CB 0.315 39.229 39.000 -0.145 0.000 1.130 721 F HN -0.050 nan 8.300 nan 0.000 0.584 722 L N -0.381 120.841 121.223 -0.001 0.000 2.202 722 L HA -0.056 4.286 4.340 0.004 0.000 0.205 722 L C 1.897 178.797 176.870 0.050 0.000 1.083 722 L CA 0.550 55.305 54.840 -0.143 0.000 0.790 722 L CB -0.493 41.327 42.059 -0.398 0.000 0.942 722 L HN 0.027 nan 8.230 nan 0.000 0.452 723 N N 0.138 118.871 118.700 0.055 0.000 2.188 723 N HA -0.199 4.544 4.740 0.004 0.000 0.184 723 N C 1.766 177.321 175.510 0.075 0.000 1.018 723 N CA 1.115 54.211 53.050 0.075 0.000 0.858 723 N CB 0.058 38.566 38.487 0.035 0.000 0.989 723 N HN 0.330 nan 8.380 nan 0.000 0.426 724 E N -0.077 120.161 120.200 0.064 0.000 2.106 724 E HA -0.023 4.330 4.350 0.004 0.000 0.192 724 E C 1.726 178.378 176.600 0.085 0.000 0.984 724 E CA 0.866 57.312 56.400 0.077 0.000 0.806 724 E CB 0.044 29.803 29.700 0.098 0.000 0.750 724 E HN 0.357 nan 8.360 nan 0.000 0.458 725 A N 1.213 124.081 122.820 0.081 0.000 1.872 725 A HA -0.164 4.159 4.320 0.004 0.000 0.214 725 A C 2.097 179.747 177.584 0.109 0.000 1.187 725 A CA 1.427 53.507 52.037 0.072 0.000 0.614 725 A CB -0.468 18.545 19.000 0.021 0.000 0.826 725 A HN 0.168 nan 8.150 nan 0.000 0.442 726 R N -0.256 120.336 120.500 0.153 0.000 2.105 726 R HA -0.198 4.145 4.340 0.004 0.000 0.239 726 R C 1.200 177.567 176.300 0.112 0.000 1.135 726 R CA 2.096 58.288 56.100 0.154 0.000 0.967 726 R CB -0.417 29.984 30.300 0.169 0.000 0.861 726 R HN 0.398 nan 8.270 nan 0.000 0.442 727 D N 0.466 120.939 120.400 0.121 0.000 2.149 727 D HA -0.145 4.498 4.640 0.004 0.000 0.201 727 D C 1.535 177.929 176.300 0.156 0.000 0.972 727 D CA 1.631 55.725 54.000 0.157 0.000 0.835 727 D CB -0.006 40.887 40.800 0.155 0.000 0.966 727 D HN 0.504 nan 8.370 nan 0.000 0.476 728 K N 0.078 120.545 120.400 0.111 0.000 2.426 728 K HA 0.301 4.623 4.320 0.004 0.000 0.193 728 K C 1.617 178.268 176.600 0.084 0.000 1.028 728 K CA 0.456 56.797 56.287 0.090 0.000 1.047 728 K CB 0.432 32.971 32.500 0.065 0.000 0.821 728 K HN -0.025 nan 8.250 nan 0.000 0.513 729 A N 1.565 124.439 122.820 0.090 0.000 2.021 729 A HA 0.152 4.475 4.320 0.004 0.000 0.216 729 A C 2.260 179.893 177.584 0.082 0.000 1.163 729 A CA 0.967 53.050 52.037 0.077 0.000 0.676 729 A CB -0.605 18.442 19.000 0.078 0.000 0.818 729 A HN 0.475 nan 8.150 nan 0.000 0.453 730 G N 0.121 108.988 108.800 0.112 0.000 2.394 730 G HA2 -0.157 3.806 3.960 0.004 0.000 0.214 730 G HA3 -0.157 3.806 3.960 0.004 0.000 0.214 730 G C 1.598 176.610 174.900 0.187 0.000 1.176 730 G CA 0.594 45.779 45.100 0.142 0.000 0.786 730 G HN 0.547 nan 8.290 nan 0.000 0.533 731 R N 0.005 120.618 120.500 0.188 0.000 2.293 731 R HA 0.149 4.491 4.340 0.004 0.000 0.219 731 R C 2.222 178.573 176.300 0.086 0.000 1.091 731 R CA 0.289 56.466 56.100 0.129 0.000 1.004 731 R CB -0.247 30.098 30.300 0.076 0.000 0.865 731 R HN 0.343 nan 8.270 nan 0.000 0.469 732 L N -0.532 120.740 121.223 0.081 0.000 2.071 732 L HA 0.033 4.375 4.340 0.004 0.000 0.201 732 L C 2.577 179.483 176.870 0.060 0.000 1.076 732 L CA 0.973 55.849 54.840 0.059 0.000 0.755 732 L CB -0.576 41.514 42.059 0.051 0.000 0.915 732 L HN 0.201 nan 8.230 nan 0.000 0.445 733 A N 0.344 123.203 122.820 0.065 0.000 1.902 733 A HA -0.258 4.065 4.320 0.004 0.000 0.217 733 A C 2.090 179.717 177.584 0.072 0.000 1.181 733 A CA 1.845 53.918 52.037 0.060 0.000 0.623 733 A CB -0.536 18.496 19.000 0.053 0.000 0.818 733 A HN 0.482 nan 8.150 nan 0.000 0.443 734 E N 0.171 120.432 120.200 0.101 0.000 2.086 734 E HA -0.210 4.143 4.350 0.004 0.000 0.205 734 E C 1.624 178.273 176.600 0.081 0.000 1.027 734 E CA 2.487 58.958 56.400 0.119 0.000 0.830 734 E CB -0.570 29.232 29.700 0.171 0.000 0.751 734 E HN 0.245 nan 8.360 nan 0.000 0.456 735 V N 1.463 121.416 119.914 0.064 0.000 2.591 735 V HA -0.159 3.963 4.120 0.004 0.000 0.249 735 V C 2.386 178.505 176.094 0.042 0.000 1.053 735 V CA 1.684 64.012 62.300 0.046 0.000 1.068 735 V CB -0.860 30.985 31.823 0.036 0.000 0.689 735 V HN 0.473 nan 8.190 nan 0.000 0.462 736 N N 0.341 119.067 118.700 0.043 0.000 2.430 736 N HA -0.101 4.642 4.740 0.004 0.000 0.186 736 N C 0.664 176.198 175.510 0.039 0.000 1.032 736 N CA 0.456 53.529 53.050 0.038 0.000 0.893 736 N CB -0.012 38.497 38.487 0.037 0.000 0.957 736 N HN 0.382 nan 8.380 nan 0.000 0.442 737 L N 2.971 124.221 121.223 0.045 0.000 2.361 737 L HA 0.090 4.433 4.340 0.004 0.000 0.278 737 L C 0.766 177.663 176.870 0.044 0.000 1.113 737 L CA -0.189 54.679 54.840 0.047 0.000 0.849 737 L CB 0.868 42.961 42.059 0.057 0.000 1.155 737 L HN 0.078 nan 8.230 nan 0.000 0.452 738 K N 2.291 122.715 120.400 0.041 0.000 2.143 738 K HA 0.021 4.343 4.320 0.004 0.000 0.239 738 K C 0.068 176.693 176.600 0.043 0.000 1.048 738 K CA -0.682 55.628 56.287 0.039 0.000 0.867 738 K CB 0.649 33.171 32.500 0.036 0.000 1.088 738 K HN 0.418 nan 8.250 nan 0.000 0.510 739 D N 0.258 120.682 120.400 0.039 0.000 2.289 739 D HA -0.010 4.632 4.640 0.004 0.000 0.207 739 D C 0.786 177.116 176.300 0.050 0.000 0.966 739 D CA 0.635 54.659 54.000 0.040 0.000 0.868 739 D CB -0.037 40.781 40.800 0.030 0.000 0.943 739 D HN 0.306 nan 8.370 nan 0.000 0.514 740 L N -0.445 120.809 121.223 0.051 0.000 3.001 740 L HA 0.373 4.716 4.340 0.004 0.000 0.234 740 L C -0.228 176.684 176.870 0.070 0.000 1.321 740 L CA -0.483 54.394 54.840 0.062 0.000 1.138 740 L CB -0.832 41.258 42.059 0.052 0.000 1.503 740 L HN -0.258 nan 8.230 nan 0.000 0.487 741 N N 0.032 118.779 118.700 0.078 0.000 2.479 741 N HA 0.279 5.022 4.740 0.004 0.000 0.261 741 N C 0.760 176.342 175.510 0.121 0.000 0.979 741 N CA -0.409 52.690 53.050 0.081 0.000 0.930 741 N CB 0.729 39.255 38.487 0.065 0.000 1.172 741 N HN 0.167 nan 8.380 nan 0.000 0.499 742 N N 2.063 120.848 118.700 0.141 0.000 2.094 742 N HA -0.180 4.563 4.740 0.004 0.000 0.191 742 N C 1.341 176.993 175.510 0.236 0.000 1.023 742 N CA 1.169 54.371 53.050 0.253 0.000 0.857 742 N CB -0.029 38.489 38.487 0.051 0.000 1.013 742 N HN 0.312 nan 8.380 nan 0.000 0.426 743 V N 1.907 121.894 119.914 0.121 0.000 2.343 743 V HA -0.182 3.941 4.120 0.004 0.000 0.247 743 V C 2.535 178.699 176.094 0.116 0.000 1.051 743 V CA 1.437 63.801 62.300 0.106 0.000 1.036 743 V CB -0.393 31.468 31.823 0.062 0.000 0.654 743 V HN 0.301 nan 8.190 nan 0.000 0.451 744 K N -0.464 119.998 120.400 0.105 0.000 2.148 744 K HA -0.172 4.150 4.320 0.004 0.000 0.204 744 K C 2.199 178.854 176.600 0.091 0.000 1.050 744 K CA 1.343 57.685 56.287 0.093 0.000 0.942 744 K CB -0.055 32.492 32.500 0.079 0.000 0.724 744 K HN 0.562 nan 8.250 nan 0.000 0.446 745 Q N -0.296 119.573 119.800 0.116 0.000 2.119 745 Q HA -0.100 4.242 4.340 0.004 0.000 0.201 745 Q C 2.083 178.111 176.000 0.047 0.000 0.972 745 Q CA 1.436 57.285 55.803 0.078 0.000 0.847 745 Q CB -0.013 28.787 28.738 0.104 0.000 0.903 745 Q HN 0.318 nan 8.270 nan 0.000 0.433 746 M N -0.473 119.205 119.600 0.130 0.000 2.200 746 M HA -0.127 4.356 4.480 0.004 0.000 0.265 746 M C 2.172 178.517 176.300 0.075 0.000 1.066 746 M CA 0.775 56.142 55.300 0.112 0.000 1.127 746 M CB 0.073 32.796 32.600 0.206 0.000 1.379 746 M HN 0.032 nan 8.290 nan 0.000 0.420 747 V N 0.716 120.680 119.914 0.083 0.000 2.332 747 V HA -0.327 3.796 4.120 0.004 0.000 0.248 747 V C 2.304 178.429 176.094 0.052 0.000 1.055 747 V CA 1.903 64.248 62.300 0.075 0.000 1.038 747 V CB -0.442 31.436 31.823 0.091 0.000 0.651 747 V HN 0.504 nan 8.190 nan 0.000 0.450 748 M N -0.471 119.152 119.600 0.038 0.000 2.099 748 M HA -0.077 4.406 4.480 0.004 0.000 0.262 748 M C 2.184 178.486 176.300 0.003 0.000 1.067 748 M CA 2.023 57.334 55.300 0.018 0.000 1.124 748 M CB -0.515 32.091 32.600 0.010 0.000 1.353 748 M HN 0.347 nan 8.290 nan 0.000 0.410 749 A N -0.209 122.606 122.820 -0.009 0.000 2.239 749 A HA 0.257 4.580 4.320 0.004 0.000 0.209 749 A C 1.834 179.415 177.584 -0.005 0.000 1.171 749 A CA 1.089 53.111 52.037 -0.024 0.000 0.768 749 A CB -1.083 17.882 19.000 -0.058 0.000 0.790 749 A HN 0.727 nan 8.150 nan 0.000 0.478 750 G N -0.395 108.413 108.800 0.013 0.000 2.328 750 G HA2 -0.408 3.555 3.960 0.004 0.000 0.256 750 G HA3 -0.408 3.555 3.960 0.004 0.000 0.256 750 G C 1.602 176.521 174.900 0.033 0.000 1.014 750 G CA 1.322 46.436 45.100 0.023 0.000 0.620 750 G HN 1.531 nan 8.290 nan 0.000 0.530 751 S N -0.458 115.260 115.700 0.031 0.000 2.432 751 S HA -0.061 4.412 4.470 0.004 0.000 0.243 751 S C 1.049 175.685 174.600 0.060 0.000 1.069 751 S CA 2.339 60.567 58.200 0.047 0.000 1.047 751 S CB -0.022 63.213 63.200 0.059 0.000 0.854 751 S HN 0.944 nan 8.310 nan 0.000 0.474 752 K N -1.433 119.004 120.400 0.062 0.000 2.999 752 K HA 0.443 4.765 4.320 0.004 0.000 0.295 752 K C -0.503 176.133 176.600 0.061 0.000 1.082 752 K CA -0.095 56.227 56.287 0.058 0.000 0.816 752 K CB 0.742 33.278 32.500 0.059 0.000 1.492 752 K HN 0.836 nan 8.250 nan 0.000 0.362 753 G N 1.845 110.676 108.800 0.052 0.000 3.316 753 G HA2 -0.186 3.776 3.960 0.004 0.000 0.445 753 G HA3 -0.186 3.776 3.960 0.004 0.000 0.445 753 G C -0.316 174.625 174.900 0.068 0.000 1.002 753 G CA 0.128 45.261 45.100 0.054 0.000 0.818 753 G HN 0.592 nan 8.290 nan 0.000 0.404 754 S N 2.236 117.975 115.700 0.064 0.000 2.693 754 S HA 0.671 5.144 4.470 0.004 0.000 0.276 754 S C 1.270 175.940 174.600 0.116 0.000 1.192 754 S CA -0.062 58.201 58.200 0.106 0.000 0.994 754 S CB 1.274 64.534 63.200 0.101 0.000 1.012 754 S HN 1.610 nan 8.310 nan 0.000 0.550 755 F N 0.490 120.456 119.950 0.027 0.000 2.234 755 F HA -0.005 4.525 4.527 0.004 0.000 0.299 755 F C 1.508 177.328 175.800 0.035 0.000 1.087 755 F CA 0.873 58.891 58.000 0.030 0.000 1.340 755 F CB -0.790 38.225 39.000 0.025 0.000 1.031 755 F HN 0.458 nan 8.300 nan 0.000 0.500 756 I N 1.416 121.446 120.570 -0.900 0.000 2.335 756 I HA -0.310 3.863 4.170 0.004 0.000 0.251 756 I C 1.892 177.807 176.117 -0.338 0.000 1.129 756 I CA 1.244 62.048 61.300 -0.827 0.000 1.402 756 I CB -1.002 36.724 38.000 -0.457 0.000 1.069 756 I HN 0.200 nan 8.210 nan 0.000 0.424 757 N N 1.462 120.059 118.700 -0.172 0.000 2.223 757 N HA -0.126 4.617 4.740 0.004 0.000 0.185 757 N C 1.921 177.411 175.510 -0.032 0.000 1.016 757 N CA 1.443 54.459 53.050 -0.057 0.000 0.863 757 N CB -0.322 38.154 38.487 -0.019 0.000 0.983 757 N HN 0.437 nan 8.380 nan 0.000 0.429 758 I N 1.024 121.567 120.570 -0.046 0.000 2.202 758 I HA -0.184 3.988 4.170 0.004 0.000 0.242 758 I C 2.420 178.522 176.117 -0.025 0.000 1.091 758 I CA 0.918 62.218 61.300 0.001 0.000 1.368 758 I CB -0.398 37.637 38.000 0.058 0.000 1.058 758 I HN 0.036 nan 8.210 nan 0.000 0.410 759 A N 0.491 123.238 122.820 -0.122 0.000 1.865 759 A HA -0.271 4.052 4.320 0.004 0.000 0.217 759 A C 2.300 179.838 177.584 -0.076 0.000 1.191 759 A CA 1.777 53.745 52.037 -0.114 0.000 0.623 759 A CB -0.763 18.076 19.000 -0.269 0.000 0.826 759 A HN 0.466 nan 8.150 nan 0.000 0.444 760 Q N -1.091 118.662 119.800 -0.078 0.000 2.020 760 Q HA -0.153 4.190 4.340 0.004 0.000 0.202 760 Q C 2.348 178.377 176.000 0.048 0.000 0.982 760 Q CA 1.661 57.437 55.803 -0.045 0.000 0.838 760 Q CB -0.296 28.476 28.738 0.058 0.000 0.899 760 Q HN 0.707 nan 8.270 nan 0.000 0.423 761 M N -0.100 119.600 119.600 0.166 0.000 2.115 761 M HA -0.195 4.288 4.480 0.004 0.000 0.258 761 M C 2.307 178.663 176.300 0.092 0.000 1.071 761 M CA 1.505 56.924 55.300 0.199 0.000 1.100 761 M CB -0.276 32.391 32.600 0.112 0.000 1.292 761 M HN 0.051 nan 8.290 nan 0.000 0.415 762 S N -0.746 114.982 115.700 0.047 0.000 2.458 762 S HA 0.169 4.641 4.470 0.004 0.000 0.223 762 S C 1.626 176.234 174.600 0.012 0.000 1.019 762 S CA 0.766 58.985 58.200 0.031 0.000 0.937 762 S CB 0.116 63.336 63.200 0.034 0.000 0.788 762 S HN 0.496 nan 8.310 nan 0.000 0.511 763 A N -0.522 122.296 122.820 -0.003 0.000 2.106 763 A HA 0.483 4.806 4.320 0.004 0.000 0.218 763 A C 0.758 178.317 177.584 -0.042 0.000 1.718 763 A CA 0.524 52.557 52.037 -0.007 0.000 0.768 763 A CB -0.112 18.894 19.000 0.010 0.000 1.321 763 A HN 0.577 nan 8.150 nan 0.000 0.567 764 C N -0.837 118.413 119.300 -0.083 0.000 2.947 764 C HA 0.494 4.957 4.460 0.004 0.000 0.401 764 C C 1.467 176.312 174.990 -0.243 0.000 1.019 764 C CA -0.312 58.620 59.018 -0.144 0.000 1.230 764 C CB 0.159 27.867 27.740 -0.054 0.000 1.644 764 C HN 0.501 nan 8.230 nan 0.000 0.523 765 V N 5.625 125.296 119.914 -0.405 0.000 2.219 765 V HA 0.254 4.377 4.120 0.004 0.000 0.248 765 V C 1.961 177.825 176.094 -0.383 0.000 1.053 765 V CA 3.080 65.065 62.300 -0.525 0.000 1.009 765 V CB -1.219 30.153 31.823 -0.752 0.000 0.636 765 V HN 1.999 nan 8.190 nan 0.000 0.445 766 G N -1.139 107.357 108.800 -0.506 0.000 2.352 766 G HA2 -0.046 3.916 3.960 0.004 0.000 0.324 766 G HA3 -0.046 3.916 3.960 0.004 0.000 0.324 766 G C -0.849 173.803 174.900 -0.414 0.000 1.249 766 G CA 0.019 44.869 45.100 -0.416 0.000 1.053 766 G HN 0.543 nan 8.290 nan 0.000 0.492 767 Q N 0.112 119.918 119.800 0.009 0.000 2.279 767 Q HA 0.671 5.013 4.340 0.004 0.000 0.256 767 Q C 0.004 176.032 176.000 0.046 0.000 0.937 767 Q CA 0.008 55.893 55.803 0.136 0.000 0.933 767 Q CB 1.158 30.063 28.738 0.279 0.000 1.189 767 Q HN 0.549 nan 8.270 nan 0.000 0.417 768 Q N 1.199 121.022 119.800 0.039 0.000 2.230 768 Q HA 0.627 4.970 4.340 0.004 0.000 0.248 768 Q C -1.063 174.955 176.000 0.030 0.000 0.915 768 Q CA -0.191 55.644 55.803 0.053 0.000 0.900 768 Q CB 1.922 30.718 28.738 0.097 0.000 1.229 768 Q HN 0.732 nan 8.270 nan 0.000 0.439 769 S N 0.015 115.728 115.700 0.022 0.000 2.548 769 S HA 0.817 5.290 4.470 0.004 0.000 0.286 769 S C -1.183 173.415 174.600 -0.003 0.000 1.098 769 S CA -0.767 57.437 58.200 0.007 0.000 0.930 769 S CB 1.317 64.527 63.200 0.015 0.000 1.070 769 S HN 0.269 nan 8.310 nan 0.000 0.480 770 V N 3.178 123.084 119.914 -0.014 0.000 2.444 770 V HA 0.532 4.655 4.120 0.004 0.000 0.294 770 V C 0.501 176.587 176.094 -0.013 0.000 1.022 770 V CA -0.442 61.848 62.300 -0.018 0.000 0.850 770 V CB 0.475 32.283 31.823 -0.026 0.000 0.992 770 V HN 1.181 nan 8.190 nan 0.000 0.426 771 E N 3.404 123.599 120.200 -0.007 0.000 4.205 771 E HA -0.330 4.023 4.350 0.004 0.000 0.310 771 E C 1.260 177.868 176.600 0.013 0.000 0.654 771 E CA 1.366 57.764 56.400 -0.003 0.000 1.279 771 E CB -1.163 28.523 29.700 -0.024 0.000 1.720 771 E HN 1.318 nan 8.360 nan 0.000 0.403 772 G N 0.226 109.034 108.800 0.014 0.000 3.211 772 G HA2 -0.142 3.820 3.960 0.004 0.000 0.202 772 G HA3 -0.142 3.820 3.960 0.004 0.000 0.202 772 G C -0.185 174.726 174.900 0.019 0.000 1.035 772 G CA -0.123 44.995 45.100 0.029 0.000 0.846 772 G HN 0.136 nan 8.290 nan 0.000 0.464 773 K N 2.100 122.503 120.400 0.005 0.000 2.087 773 K HA 0.679 5.001 4.320 0.004 0.000 0.255 773 K C 0.821 177.406 176.600 -0.026 0.000 0.988 773 K CA -0.898 55.386 56.287 -0.005 0.000 0.915 773 K CB 1.254 33.750 32.500 -0.007 0.000 1.043 773 K HN 0.508 nan 8.250 nan 0.000 0.457 774 R N 1.061 121.540 120.500 -0.036 0.000 2.905 774 R HA 0.067 4.409 4.340 0.004 0.000 0.273 774 R C 0.213 176.444 176.300 -0.114 0.000 1.033 774 R CA -0.610 55.452 56.100 -0.063 0.000 1.182 774 R CB -0.222 30.039 30.300 -0.065 0.000 1.097 774 R HN 0.427 nan 8.270 nan 0.000 0.504 775 I N 0.443 120.923 120.570 -0.149 0.000 3.058 775 I HA -0.089 4.084 4.170 0.004 0.000 0.299 775 I C 1.028 176.997 176.117 -0.247 0.000 1.238 775 I CA 0.322 61.528 61.300 -0.158 0.000 1.423 775 I CB -0.804 37.085 38.000 -0.184 0.000 1.330 775 I HN 0.814 nan 8.210 nan 0.000 0.589 776 A N 5.678 128.392 122.820 -0.176 0.000 2.248 776 A HA 0.610 4.932 4.320 0.004 0.000 0.316 776 A C -0.237 177.228 177.584 -0.199 0.000 1.101 776 A CA -0.547 51.340 52.037 -0.251 0.000 0.875 776 A CB 0.304 19.248 19.000 -0.094 0.000 1.207 776 A HN 0.543 nan 8.150 nan 0.000 0.504 777 F N 0.934 120.903 119.950 0.032 0.000 2.660 777 F HA 0.252 4.782 4.527 0.004 0.000 0.342 777 F C 1.783 177.639 175.800 0.094 0.000 1.195 777 F CA 0.032 58.072 58.000 0.067 0.000 1.300 777 F CB 0.206 39.223 39.000 0.029 0.000 1.616 777 F HN 0.734 nan 8.300 nan 0.000 0.592 778 G N -0.120 108.816 108.800 0.227 0.000 2.653 778 G HA2 -0.211 3.751 3.960 0.004 0.000 0.212 778 G HA3 -0.211 3.751 3.960 0.004 0.000 0.212 778 G C 0.667 175.563 174.900 -0.006 0.000 1.138 778 G CA 0.325 45.472 45.100 0.078 0.000 0.782 778 G HN 0.526 nan 8.290 nan 0.000 0.535 779 F N 0.296 120.366 119.950 0.200 0.000 2.908 779 F HA 0.327 4.857 4.527 0.004 0.000 0.328 779 F C 0.382 176.243 175.800 0.103 0.000 1.211 779 F CA -0.701 57.389 58.000 0.150 0.000 1.291 779 F CB 1.064 40.168 39.000 0.173 0.000 0.962 779 F HN -0.141 nan 8.300 nan 0.000 0.505 780 V N 1.544 121.602 119.914 0.241 0.000 5.169 780 V HA -0.309 3.814 4.120 0.004 0.000 0.354 780 V C -0.252 175.865 176.094 0.038 0.000 0.683 780 V CA 0.897 63.279 62.300 0.136 0.000 1.377 780 V CB -1.443 30.451 31.823 0.117 0.000 1.647 780 V HN 0.752 nan 8.190 nan 0.000 0.461 781 D N 0.748 121.093 120.400 -0.091 0.000 2.907 781 D HA -0.186 4.457 4.640 0.004 0.000 0.226 781 D C 0.426 176.319 176.300 -0.679 0.000 1.141 781 D CA 1.829 55.509 54.000 -0.534 0.000 0.779 781 D CB -0.437 40.191 40.800 -0.288 0.000 1.095 781 D HN 1.179 nan 8.370 nan 0.000 0.430 782 R N -4.067 116.279 120.500 -0.256 0.000 2.765 782 R HA 0.518 4.861 4.340 0.004 0.000 0.277 782 R C 0.724 177.391 176.300 0.612 0.000 1.028 782 R CA -0.355 55.838 56.100 0.156 0.000 0.860 782 R CB 0.155 30.531 30.300 0.126 0.000 1.270 782 R HN -0.080 nan 8.270 nan 0.000 0.484 783 T N -1.571 113.366 114.554 0.639 0.000 3.045 783 T HA 0.339 4.691 4.350 0.004 0.000 0.239 783 T C 0.760 175.968 174.700 0.847 0.000 1.008 783 T CA 0.181 62.688 62.100 0.679 0.000 1.143 783 T CB 0.218 69.372 68.868 0.477 0.000 0.894 783 T HN 0.282 nan 8.240 nan 0.000 0.451 784 L N 1.918 123.577 121.223 0.728 0.000 2.370 784 L HA 0.434 4.777 4.340 0.004 0.000 0.266 784 L C -1.837 175.001 176.870 -0.053 0.000 1.002 784 L CA -2.842 52.194 54.840 0.326 0.000 0.818 784 L CB 2.897 45.055 42.059 0.165 0.000 1.325 784 L HN -0.148 nan 8.230 nan 0.000 0.418 785 P HA -0.154 nan 4.420 nan 0.000 0.231 785 P C 0.853 177.997 177.300 -0.261 0.000 1.158 785 P CA 1.269 64.084 63.100 -0.476 0.000 0.763 785 P CB -0.000 31.365 31.700 -0.558 0.000 0.805 786 H N -1.666 117.157 119.070 -0.410 0.000 2.529 786 H HA 0.104 4.662 4.556 0.004 0.000 0.277 786 H C 0.543 175.546 175.328 -0.541 0.000 0.999 786 H CA 0.236 55.973 56.048 -0.518 0.000 1.256 786 H CB -0.061 29.277 29.762 -0.707 0.000 1.402 786 H HN 0.217 nan 8.280 nan 0.000 0.566 787 F N 0.176 120.195 119.950 0.114 0.000 2.523 787 F HA 0.262 4.792 4.527 0.004 0.000 0.329 787 F C 0.873 176.685 175.800 0.019 0.000 1.061 787 F CA -1.108 56.942 58.000 0.083 0.000 0.967 787 F CB 1.319 40.394 39.000 0.124 0.000 1.218 787 F HN -0.211 nan 8.300 nan 0.000 0.480 788 S N 0.373 116.206 115.700 0.221 0.000 2.608 788 S HA 0.185 4.658 4.470 0.004 0.000 0.261 788 S C -0.176 174.460 174.600 0.061 0.000 1.314 788 S CA -0.781 57.477 58.200 0.097 0.000 0.992 788 S CB 0.496 63.742 63.200 0.076 0.000 0.935 788 S HN 0.401 nan 8.310 nan 0.000 0.564 789 K N 1.305 121.702 120.400 -0.005 0.000 2.295 789 K HA 0.112 4.435 4.320 0.004 0.000 0.270 789 K C -0.252 176.289 176.600 -0.100 0.000 1.011 789 K CA -0.023 56.213 56.287 -0.084 0.000 0.953 789 K CB 0.202 32.653 32.500 -0.083 0.000 0.956 789 K HN 0.521 nan 8.250 nan 0.000 0.477 790 D N 1.300 121.559 120.400 -0.235 0.000 2.981 790 D HA -0.170 4.473 4.640 0.004 0.000 0.223 790 D C -0.768 175.546 176.300 0.024 0.000 1.151 790 D CA 0.865 54.796 54.000 -0.115 0.000 0.827 790 D CB -0.643 40.160 40.800 0.004 0.000 1.101 790 D HN 0.578 nan 8.370 nan 0.000 0.426 791 D N 0.060 120.439 120.400 -0.035 0.000 2.453 791 D HA 0.065 4.707 4.640 0.004 0.000 0.223 791 D C 0.389 176.721 176.300 0.052 0.000 1.183 791 D CA -0.229 53.789 54.000 0.030 0.000 0.933 791 D CB -0.376 40.417 40.800 -0.012 0.000 1.038 791 D HN 0.241 nan 8.370 nan 0.000 0.513 792 Y N 1.318 121.697 120.300 0.131 0.000 2.495 792 Y HA 0.038 4.591 4.550 0.004 0.000 0.293 792 Y C 1.299 177.303 175.900 0.172 0.000 1.186 792 Y CA -0.278 57.950 58.100 0.212 0.000 1.266 792 Y CB 0.202 38.786 38.460 0.208 0.000 1.101 792 Y HN 0.217 nan 8.280 nan 0.000 0.517 793 S N -0.390 115.411 115.700 0.167 0.000 2.646 793 S HA 0.261 4.734 4.470 0.004 0.000 0.276 793 S C -1.537 173.063 174.600 -0.000 0.000 1.222 793 S CA -1.538 56.719 58.200 0.095 0.000 1.014 793 S CB 1.710 64.947 63.200 0.062 0.000 0.991 793 S HN -0.048 nan 8.310 nan 0.000 0.533 794 P HA -0.225 nan 4.420 nan 0.000 0.217 794 P C 0.795 178.117 177.300 0.036 0.000 1.162 794 P CA 1.861 64.957 63.100 -0.008 0.000 0.901 794 P CB -0.169 31.476 31.700 -0.092 0.000 0.793 795 E N -0.123 120.098 120.200 0.035 0.000 2.204 795 E HA -0.083 4.270 4.350 0.004 0.000 0.194 795 E C 2.267 178.765 176.600 -0.170 0.000 0.989 795 E CA 1.116 57.549 56.400 0.054 0.000 0.824 795 E CB -1.094 28.679 29.700 0.122 0.000 0.756 795 E HN 0.256 nan 8.360 nan 0.000 0.477 796 S N 0.126 115.562 115.700 -0.440 0.000 2.377 796 S HA -0.043 4.430 4.470 0.004 0.000 0.223 796 S C 1.487 175.725 174.600 -0.603 0.000 1.030 796 S CA 0.627 58.281 58.200 -0.910 0.000 0.970 796 S CB 0.082 62.840 63.200 -0.738 0.000 0.830 796 S HN -0.039 nan 8.310 nan 0.000 0.473 797 K N 0.797 120.963 120.400 -0.391 0.000 2.469 797 K HA 0.239 4.562 4.320 0.004 0.000 0.201 797 K C 0.846 177.199 176.600 -0.411 0.000 1.028 797 K CA 0.584 56.640 56.287 -0.385 0.000 1.170 797 K CB 0.045 32.424 32.500 -0.202 0.000 0.874 797 K HN 0.537 nan 8.250 nan 0.000 0.507 798 G N 1.945 110.454 108.800 -0.484 0.000 2.164 798 G HA2 -0.264 3.699 3.960 0.004 0.000 0.212 798 G HA3 -0.264 3.699 3.960 0.004 0.000 0.212 798 G C -0.407 174.500 174.900 0.011 0.000 1.031 798 G CA -0.448 44.453 45.100 -0.332 0.000 0.730 798 G HN 0.333 nan 8.290 nan 0.000 0.501 799 F N 1.851 121.759 119.950 -0.071 0.000 2.413 799 F HA 0.575 5.105 4.527 0.005 0.000 0.359 799 F C 0.550 176.356 175.800 0.010 0.000 1.122 799 F CA -0.890 57.093 58.000 -0.027 0.000 1.160 799 F CB 1.109 40.089 39.000 -0.032 0.000 1.146 799 F HN 0.047 nan 8.300 nan 0.000 0.514 800 V N 7.615 127.192 119.914 -0.561 0.000 2.439 800 V HA 0.022 4.145 4.120 0.004 0.000 0.271 800 V C 1.062 176.664 176.094 -0.820 0.000 1.040 800 V CA 0.116 62.122 62.300 -0.490 0.000 1.002 800 V CB 1.049 32.627 31.823 -0.407 0.000 1.000 800 V HN 0.912 nan 8.190 nan 0.000 0.477 801 E N 4.092 124.051 120.200 -0.403 0.000 2.276 801 E HA 0.011 4.364 4.350 0.004 0.000 0.193 801 E C 0.701 177.205 176.600 -0.159 0.000 0.983 801 E CA -0.027 56.247 56.400 -0.211 0.000 0.861 801 E CB 0.363 30.124 29.700 0.102 0.000 0.817 801 E HN 0.750 nan 8.360 nan 0.000 0.485 802 N N 1.330 119.929 118.700 -0.168 0.000 2.503 802 N HA 0.024 4.767 4.740 0.004 0.000 0.267 802 N C -0.413 174.972 175.510 -0.209 0.000 1.214 802 N CA 0.205 53.175 53.050 -0.133 0.000 0.959 802 N CB 1.466 39.900 38.487 -0.088 0.000 1.142 802 N HN 0.048 nan 8.380 nan 0.000 0.455 803 S N 0.541 116.157 115.700 -0.140 0.000 2.586 803 S HA 0.189 4.662 4.470 0.004 0.000 0.274 803 S C 1.110 175.644 174.600 -0.110 0.000 1.281 803 S CA -0.656 57.455 58.200 -0.149 0.000 1.035 803 S CB 0.505 63.674 63.200 -0.053 0.000 0.962 803 S HN 0.525 nan 8.310 nan 0.000 0.512 804 Y N 0.615 120.885 120.300 -0.051 0.000 2.228 804 Y HA -0.213 4.340 4.550 0.005 0.000 0.285 804 Y C 2.197 178.088 175.900 -0.014 0.000 1.178 804 Y CA 1.395 59.477 58.100 -0.030 0.000 1.202 804 Y CB -0.280 38.165 38.460 -0.024 0.000 0.974 804 Y HN 0.641 nan 8.280 nan 0.000 0.527 805 L N 0.091 121.392 121.223 0.131 0.000 2.056 805 L HA -0.194 4.149 4.340 0.004 0.000 0.207 805 L C 2.404 179.301 176.870 0.045 0.000 1.078 805 L CA 1.659 56.543 54.840 0.073 0.000 0.749 805 L CB -0.348 41.740 42.059 0.050 0.000 0.901 805 L HN 0.019 nan 8.230 nan 0.000 0.433 806 R N -0.231 120.285 120.500 0.026 0.000 2.075 806 R HA 0.119 4.462 4.340 0.004 0.000 0.232 806 R C 0.387 176.697 176.300 0.016 0.000 1.126 806 R CA 0.751 56.859 56.100 0.012 0.000 0.963 806 R CB -0.371 29.926 30.300 -0.004 0.000 0.858 806 R HN 0.534 nan 8.270 nan 0.000 0.435 807 G N 0.352 109.165 108.800 0.022 0.000 3.209 807 G HA2 -0.139 3.824 3.960 0.004 0.000 0.686 807 G HA3 -0.139 3.824 3.960 0.004 0.000 0.686 807 G C -0.872 174.039 174.900 0.019 0.000 1.065 807 G CA -1.052 44.069 45.100 0.036 0.000 0.812 807 G HN -0.008 nan 8.290 nan 0.000 0.573 808 L N 1.459 122.709 121.223 0.044 0.000 2.479 808 L HA 0.579 4.921 4.340 0.004 0.000 0.270 808 L C 1.808 178.714 176.870 0.060 0.000 1.236 808 L CA 0.766 55.641 54.840 0.058 0.000 0.823 808 L CB 0.239 42.395 42.059 0.162 0.000 1.098 808 L HN 1.039 nan 8.230 nan 0.000 0.500 809 T N -2.110 112.493 114.554 0.083 0.000 2.945 809 T HA 0.476 4.829 4.350 0.004 0.000 0.286 809 T C -2.046 172.726 174.700 0.119 0.000 1.025 809 T CA -1.877 60.267 62.100 0.074 0.000 1.039 809 T CB 1.537 70.451 68.868 0.078 0.000 1.068 809 T HN 0.341 nan 8.240 nan 0.000 0.497 810 P HA -0.205 nan 4.420 nan 0.000 0.216 810 P C 1.576 178.921 177.300 0.076 0.000 1.167 810 P CA 1.461 64.606 63.100 0.076 0.000 0.914 810 P CB -0.026 31.654 31.700 -0.033 0.000 0.793 811 Q N -0.298 119.501 119.800 -0.001 0.000 2.077 811 Q HA -0.223 4.120 4.340 0.004 0.000 0.206 811 Q C 2.180 178.266 176.000 0.143 0.000 0.989 811 Q CA 1.825 57.615 55.803 -0.022 0.000 0.853 811 Q CB -0.809 28.112 28.738 0.304 0.000 0.907 811 Q HN 0.423 nan 8.270 nan 0.000 0.418 812 E N -0.209 120.150 120.200 0.266 0.000 2.038 812 E HA -0.198 4.155 4.350 0.004 0.000 0.195 812 E C 1.704 178.462 176.600 0.263 0.000 1.000 812 E CA 1.063 57.626 56.400 0.271 0.000 0.803 812 E CB -0.258 29.534 29.700 0.152 0.000 0.750 812 E HN 0.268 nan 8.360 nan 0.000 0.448 813 F N 0.719 120.735 119.950 0.109 0.000 2.091 813 F HA -0.272 4.257 4.527 0.004 0.000 0.299 813 F C 2.008 177.892 175.800 0.140 0.000 1.103 813 F CA 1.496 59.577 58.000 0.135 0.000 1.228 813 F CB -0.382 38.675 39.000 0.095 0.000 0.984 813 F HN -0.006 nan 8.300 nan 0.000 0.477 814 F N -0.106 119.770 119.950 -0.124 0.000 2.084 814 F HA -0.134 4.395 4.527 0.004 0.000 0.296 814 F C 2.118 177.793 175.800 -0.209 0.000 1.111 814 F CA 1.663 59.486 58.000 -0.294 0.000 1.224 814 F CB -1.016 37.765 39.000 -0.365 0.000 0.991 814 F HN -0.037 nan 8.300 nan 0.000 0.471 815 F N -1.147 118.854 119.950 0.086 0.000 2.408 815 F HA -0.205 4.325 4.527 0.004 0.000 0.300 815 F C 2.382 178.155 175.800 -0.044 0.000 1.090 815 F CA 1.117 59.117 58.000 -0.000 0.000 1.427 815 F CB -0.509 38.559 39.000 0.113 0.000 1.070 815 F HN 0.160 nan 8.300 nan 0.000 0.549 816 H N 0.088 119.148 119.070 -0.016 0.000 2.465 816 H HA 0.155 4.713 4.556 0.004 0.000 0.289 816 H C 2.044 177.259 175.328 -0.189 0.000 1.022 816 H CA 0.942 56.942 56.048 -0.080 0.000 1.340 816 H CB -0.148 29.581 29.762 -0.055 0.000 1.437 816 H HN 0.066 nan 8.280 nan 0.000 0.539 817 A N 0.686 123.237 122.820 -0.449 0.000 1.933 817 A HA -0.127 4.196 4.320 0.004 0.000 0.218 817 A C 2.432 179.761 177.584 -0.425 0.000 1.175 817 A CA 1.572 53.284 52.037 -0.543 0.000 0.628 817 A CB -0.633 17.991 19.000 -0.627 0.000 0.814 817 A HN 0.477 nan 8.150 nan 0.000 0.444 818 M N -0.718 118.634 119.600 -0.413 0.000 2.067 818 M HA -0.120 4.363 4.480 0.004 0.000 0.260 818 M C 2.302 178.498 176.300 -0.173 0.000 1.069 818 M CA 1.650 56.777 55.300 -0.288 0.000 1.117 818 M CB -0.708 31.760 32.600 -0.220 0.000 1.334 818 M HN 0.490 nan 8.290 nan 0.000 0.407 819 G N -0.685 108.041 108.800 -0.123 0.000 2.498 819 G HA2 -0.066 3.896 3.960 0.004 0.000 0.219 819 G HA3 -0.066 3.896 3.960 0.004 0.000 0.219 819 G C 1.400 176.238 174.900 -0.104 0.000 1.119 819 G CA 0.910 45.969 45.100 -0.069 0.000 0.766 819 G HN 0.595 nan 8.290 nan 0.000 0.552 820 G N 0.481 109.160 108.800 -0.201 0.000 2.411 820 G HA2 -0.070 3.892 3.960 0.004 0.000 0.213 820 G HA3 -0.070 3.892 3.960 0.004 0.000 0.213 820 G C 1.766 176.580 174.900 -0.142 0.000 1.166 820 G CA 0.695 45.673 45.100 -0.203 0.000 0.802 820 G HN 0.423 nan 8.290 nan 0.000 0.533 821 R N 0.966 121.374 120.500 -0.152 0.000 2.120 821 R HA -0.046 4.297 4.340 0.004 0.000 0.234 821 R C 2.212 178.466 176.300 -0.077 0.000 1.123 821 R CA 1.758 57.790 56.100 -0.113 0.000 0.975 821 R CB -0.485 29.742 30.300 -0.122 0.000 0.866 821 R HN 0.476 nan 8.270 nan 0.000 0.446 822 E N -1.064 119.094 120.200 -0.071 0.000 2.171 822 E HA -0.169 4.184 4.350 0.004 0.000 0.197 822 E C 1.637 178.218 176.600 -0.033 0.000 0.997 822 E CA 1.668 58.041 56.400 -0.045 0.000 0.810 822 E CB -0.442 29.237 29.700 -0.035 0.000 0.738 822 E HN 0.523 nan 8.360 nan 0.000 0.467 823 G N 0.768 109.546 108.800 -0.036 0.000 2.424 823 G HA2 -0.209 3.753 3.960 0.004 0.000 0.214 823 G HA3 -0.209 3.753 3.960 0.004 0.000 0.214 823 G C 1.509 176.392 174.900 -0.028 0.000 1.202 823 G CA 0.659 45.743 45.100 -0.027 0.000 0.793 823 G HN 0.251 nan 8.290 nan 0.000 0.534 824 L N 0.402 121.603 121.223 -0.037 0.000 2.151 824 L HA -0.211 4.132 4.340 0.004 0.000 0.215 824 L C 2.809 179.663 176.870 -0.027 0.000 1.084 824 L CA 0.949 55.769 54.840 -0.034 0.000 0.764 824 L CB -0.467 41.566 42.059 -0.043 0.000 0.891 824 L HN 0.290 nan 8.230 nan 0.000 0.435 825 I N -0.082 120.472 120.570 -0.027 0.000 2.193 825 I HA -0.211 3.961 4.170 0.004 0.000 0.240 825 I C 1.577 177.687 176.117 -0.011 0.000 1.084 825 I CA 1.200 62.489 61.300 -0.019 0.000 1.365 825 I CB -0.502 37.486 38.000 -0.021 0.000 1.064 825 I HN 0.370 nan 8.210 nan 0.000 0.410 826 D N 0.900 121.295 120.400 -0.009 0.000 2.856 826 D HA -0.019 4.624 4.640 0.004 0.000 0.242 826 D C 0.507 176.803 176.300 -0.007 0.000 1.226 826 D CA 0.413 54.411 54.000 -0.003 0.000 0.855 826 D CB -0.003 40.798 40.800 0.002 0.000 1.065 826 D HN 0.290 nan 8.370 nan 0.000 0.462 827 T N -1.699 112.849 114.554 -0.010 0.000 3.087 827 T HA 0.377 4.729 4.350 0.004 0.000 0.283 827 T C 1.291 175.985 174.700 -0.010 0.000 0.956 827 T CA 0.262 62.354 62.100 -0.012 0.000 0.894 827 T CB 1.067 69.925 68.868 -0.016 0.000 1.160 827 T HN 0.323 nan 8.240 nan 0.000 0.532 828 A N 0.848 123.663 122.820 -0.009 0.000 1.995 828 A HA 0.448 4.771 4.320 0.004 0.000 0.200 828 A C 1.993 179.575 177.584 -0.003 0.000 1.566 828 A CA 0.292 52.325 52.037 -0.007 0.000 0.895 828 A CB -0.452 18.541 19.000 -0.010 0.000 1.046 828 A HN 0.178 nan 8.150 nan 0.000 0.523 829 V N 1.546 121.459 119.914 -0.001 0.000 2.626 829 V HA -0.211 3.912 4.120 0.004 0.000 0.252 829 V C 2.458 178.558 176.094 0.011 0.000 1.067 829 V CA 2.307 64.610 62.300 0.005 0.000 1.081 829 V CB -0.659 31.169 31.823 0.008 0.000 0.686 829 V HN 0.689 nan 8.190 nan 0.000 0.468 830 K N 0.184 120.589 120.400 0.008 0.000 1.991 830 K HA -0.197 4.126 4.320 0.004 0.000 0.207 830 K C 2.352 178.960 176.600 0.013 0.000 1.045 830 K CA 2.002 58.295 56.287 0.010 0.000 0.937 830 K CB -0.559 31.942 32.500 0.003 0.000 0.720 830 K HN 0.360 nan 8.250 nan 0.000 0.438 831 T N 0.190 114.747 114.554 0.006 0.000 2.803 831 T HA -0.129 4.223 4.350 0.004 0.000 0.269 831 T C 1.754 176.466 174.700 0.019 0.000 1.052 831 T CA 1.489 63.592 62.100 0.006 0.000 1.136 831 T CB -0.362 68.505 68.868 -0.002 0.000 0.864 831 T HN 0.447 nan 8.240 nan 0.000 0.467 832 A N 1.227 124.059 122.820 0.019 0.000 1.841 832 A HA -0.131 4.191 4.320 0.004 0.000 0.216 832 A C 2.167 179.787 177.584 0.060 0.000 1.199 832 A CA 1.974 54.026 52.037 0.026 0.000 0.621 832 A CB -0.823 18.182 19.000 0.008 0.000 0.835 832 A HN 0.682 nan 8.150 nan 0.000 0.445 833 E N -1.491 118.749 120.200 0.066 0.000 2.418 833 E HA -0.083 4.270 4.350 0.004 0.000 0.197 833 E C 1.856 178.527 176.600 0.117 0.000 1.026 833 E CA 0.901 57.373 56.400 0.120 0.000 0.862 833 E CB -0.140 29.619 29.700 0.099 0.000 0.799 833 E HN 0.607 nan 8.360 nan 0.000 0.518 834 T N -0.636 113.959 114.554 0.067 0.000 2.851 834 T HA -0.045 4.308 4.350 0.004 0.000 0.262 834 T C 1.784 176.507 174.700 0.039 0.000 1.043 834 T CA 1.271 63.393 62.100 0.037 0.000 1.140 834 T CB -0.111 68.763 68.868 0.009 0.000 0.872 834 T HN 0.317 nan 8.240 nan 0.000 0.446 835 G N -0.943 107.892 108.800 0.059 0.000 2.484 835 G HA2 -0.139 3.823 3.960 0.004 0.000 0.218 835 G HA3 -0.139 3.823 3.960 0.004 0.000 0.218 835 G C 1.271 176.239 174.900 0.113 0.000 1.130 835 G CA 0.500 45.636 45.100 0.059 0.000 0.784 835 G HN 0.590 nan 8.290 nan 0.000 0.543 836 Y N 0.736 121.048 120.300 0.020 0.000 2.475 836 Y HA 0.296 4.848 4.550 0.004 0.000 0.289 836 Y C 2.165 178.101 175.900 0.059 0.000 1.121 836 Y CA 0.145 58.271 58.100 0.044 0.000 1.257 836 Y CB 0.117 38.600 38.460 0.038 0.000 1.026 836 Y HN 0.165 nan 8.280 nan 0.000 0.555 837 I N -0.457 120.067 120.570 -0.077 0.000 2.852 837 I HA -0.156 4.016 4.170 0.004 0.000 0.264 837 I C 2.395 178.437 176.117 -0.124 0.000 1.179 837 I CA 0.479 61.687 61.300 -0.153 0.000 1.480 837 I CB -0.220 37.744 38.000 -0.060 0.000 1.111 837 I HN 0.192 nan 8.210 nan 0.000 0.441 838 Q N 1.505 121.262 119.800 -0.070 0.000 1.990 838 Q HA -0.228 4.115 4.340 0.004 0.000 0.200 838 Q C 2.326 178.281 176.000 -0.074 0.000 0.980 838 Q CA 1.719 57.481 55.803 -0.069 0.000 0.832 838 Q CB -0.215 28.497 28.738 -0.044 0.000 0.897 838 Q HN 0.378 nan 8.270 nan 0.000 0.427 839 R N 0.074 120.555 120.500 -0.032 0.000 2.105 839 R HA -0.140 4.203 4.340 0.004 0.000 0.239 839 R C 2.339 178.622 176.300 -0.028 0.000 1.135 839 R CA 1.427 57.531 56.100 0.007 0.000 0.967 839 R CB -0.025 30.337 30.300 0.102 0.000 0.861 839 R HN 0.130 nan 8.270 nan 0.000 0.442 840 R N 0.212 120.646 120.500 -0.111 0.000 2.070 840 R HA -0.110 4.233 4.340 0.004 0.000 0.232 840 R C 2.440 178.550 176.300 -0.315 0.000 1.138 840 R CA 1.980 57.974 56.100 -0.177 0.000 0.936 840 R CB -0.506 29.638 30.300 -0.261 0.000 0.839 840 R HN 0.211 nan 8.270 nan 0.000 0.429 841 L N 0.088 121.156 121.223 -0.259 0.000 1.990 841 L HA -0.269 4.073 4.340 0.004 0.000 0.213 841 L C 2.432 179.145 176.870 -0.262 0.000 1.072 841 L CA 1.370 56.049 54.840 -0.268 0.000 0.755 841 L CB -0.699 41.251 42.059 -0.181 0.000 0.889 841 L HN 0.092 nan 8.230 nan 0.000 0.432 842 V N -0.219 119.586 119.914 -0.181 0.000 2.313 842 V HA -0.363 3.760 4.120 0.004 0.000 0.253 842 V C 2.502 178.495 176.094 -0.167 0.000 1.070 842 V CA 2.219 64.436 62.300 -0.140 0.000 1.057 842 V CB -0.494 31.280 31.823 -0.081 0.000 0.653 842 V HN 0.363 nan 8.190 nan 0.000 0.450 843 K N -0.569 119.702 120.400 -0.215 0.000 2.314 843 K HA 0.239 4.562 4.320 0.004 0.000 0.198 843 K C 1.976 178.321 176.600 -0.425 0.000 1.045 843 K CA 0.925 57.085 56.287 -0.213 0.000 0.988 843 K CB -0.257 32.166 32.500 -0.128 0.000 0.783 843 K HN 0.434 nan 8.250 nan 0.000 0.484 844 A N 0.190 122.533 122.820 -0.795 0.000 1.929 844 A HA -0.000 4.322 4.320 0.004 0.000 0.216 844 A C 1.821 179.038 177.584 -0.611 0.000 1.176 844 A CA 1.053 52.288 52.037 -1.337 0.000 0.628 844 A CB -0.286 17.916 19.000 -1.330 0.000 0.816 844 A HN 0.204 nan 8.150 nan 0.000 0.444 845 L N -2.397 118.604 121.223 -0.369 0.000 2.187 845 L HA 0.065 4.408 4.340 0.004 0.000 0.197 845 L C 1.716 178.504 176.870 -0.136 0.000 1.090 845 L CA 0.770 55.484 54.840 -0.211 0.000 0.781 845 L CB -0.920 41.042 42.059 -0.162 0.000 0.956 845 L HN 0.451 nan 8.230 nan 0.000 0.463 846 E N 0.721 120.850 120.200 -0.120 0.000 3.521 846 E HA -0.432 3.920 4.350 0.004 0.000 0.476 846 E C 1.103 177.671 176.600 -0.054 0.000 1.646 846 E CA 2.302 58.657 56.400 -0.076 0.000 1.182 846 E CB -0.888 28.776 29.700 -0.060 0.000 1.215 846 E HN 0.769 nan 8.360 nan 0.000 0.404 847 D N 1.279 121.657 120.400 -0.036 0.000 2.357 847 D HA -0.121 4.521 4.640 0.004 0.000 0.216 847 D C 0.915 177.211 176.300 -0.008 0.000 0.973 847 D CA 0.985 54.975 54.000 -0.016 0.000 0.912 847 D CB -0.609 40.191 40.800 0.001 0.000 0.900 847 D HN 0.301 nan 8.370 nan 0.000 0.501 848 I N 1.280 121.834 120.570 -0.026 0.000 2.578 848 I HA 0.050 4.222 4.170 0.004 0.000 0.286 848 I C 0.475 176.577 176.117 -0.025 0.000 1.126 848 I CA 0.067 61.354 61.300 -0.021 0.000 1.380 848 I CB -0.259 37.717 38.000 -0.040 0.000 1.408 848 I HN 0.136 nan 8.210 nan 0.000 0.532 849 M N 5.041 124.652 119.600 0.019 0.000 2.572 849 M HA 0.605 5.088 4.480 0.004 0.000 0.299 849 M C -1.174 175.160 176.300 0.056 0.000 1.205 849 M CA -0.974 54.317 55.300 -0.016 0.000 0.876 849 M CB 2.119 34.687 32.600 -0.053 0.000 1.728 849 M HN 0.002 nan 8.290 nan 0.000 0.458 850 V N 3.151 123.027 119.914 -0.064 0.000 2.479 850 V HA 0.179 4.302 4.120 0.004 0.000 0.281 850 V C 0.363 176.457 176.094 -0.000 0.000 1.031 850 V CA 0.083 62.363 62.300 -0.034 0.000 1.038 850 V CB -0.365 31.368 31.823 -0.149 0.000 0.981 850 V HN 0.771 nan 8.190 nan 0.000 0.478 851 H N 3.214 122.221 119.070 -0.105 0.000 2.497 851 H HA 0.196 4.755 4.556 0.004 0.000 0.348 851 H C 0.178 175.448 175.328 -0.097 0.000 1.335 851 H CA -0.396 55.599 56.048 -0.089 0.000 1.395 851 H CB 1.154 30.915 29.762 -0.002 0.000 1.658 851 H HN 0.591 nan 8.280 nan 0.000 0.613 852 Y N 0.395 120.774 120.300 0.131 0.000 2.509 852 Y HA -0.149 4.404 4.550 0.004 0.000 0.293 852 Y C 1.705 177.651 175.900 0.076 0.000 1.133 852 Y CA 0.766 58.911 58.100 0.075 0.000 1.283 852 Y CB 0.157 38.647 38.460 0.050 0.000 1.001 852 Y HN 0.605 nan 8.280 nan 0.000 0.555 853 D N -1.805 118.731 120.400 0.226 0.000 2.319 853 D HA -0.079 4.564 4.640 0.004 0.000 0.230 853 D C 0.318 176.689 176.300 0.117 0.000 1.094 853 D CA 0.173 54.264 54.000 0.152 0.000 0.856 853 D CB -0.675 40.203 40.800 0.130 0.000 0.915 853 D HN 0.174 nan 8.370 nan 0.000 0.517 854 N N -0.696 118.067 118.700 0.105 0.000 2.778 854 N HA -0.208 4.534 4.740 0.004 0.000 0.249 854 N C 0.177 175.735 175.510 0.080 0.000 1.069 854 N CA 1.235 54.331 53.050 0.077 0.000 0.831 854 N CB -1.457 37.073 38.487 0.071 0.000 1.142 854 N HN 0.429 nan 8.380 nan 0.000 0.573 855 T N -0.563 114.029 114.554 0.063 0.000 2.681 855 T HA 0.206 4.558 4.350 0.004 0.000 0.333 855 T C 0.267 174.950 174.700 -0.028 0.000 1.049 855 T CA 0.819 62.915 62.100 -0.008 0.000 1.002 855 T CB 0.554 69.365 68.868 -0.094 0.000 1.161 855 T HN 0.158 nan 8.240 nan 0.000 0.519 856 T N 2.504 116.988 114.554 -0.117 0.000 3.187 856 T HA 0.453 4.806 4.350 0.004 0.000 0.328 856 T C -0.859 173.739 174.700 -0.169 0.000 0.951 856 T CA -0.556 61.497 62.100 -0.079 0.000 1.049 856 T CB 0.534 69.405 68.868 0.004 0.000 1.015 856 T HN 0.482 nan 8.240 nan 0.000 0.461 857 R N 2.200 122.575 120.500 -0.208 0.000 2.803 857 R HA 0.540 4.883 4.340 0.004 0.000 0.276 857 R C 0.324 176.575 176.300 -0.082 0.000 0.978 857 R CA -1.061 54.891 56.100 -0.247 0.000 0.939 857 R CB 1.997 31.995 30.300 -0.503 0.000 1.179 857 R HN 0.742 nan 8.270 nan 0.000 0.472 858 N N -1.067 117.593 118.700 -0.067 0.000 2.418 858 N HA 0.050 4.792 4.740 0.004 0.000 0.283 858 N C 0.693 176.214 175.510 0.019 0.000 1.267 858 N CA -0.471 52.571 53.050 -0.014 0.000 0.975 858 N CB 0.685 39.159 38.487 -0.023 0.000 1.167 858 N HN 0.491 nan 8.380 nan 0.000 0.581 859 S N 0.017 115.732 115.700 0.025 0.000 2.382 859 S HA -0.156 4.316 4.470 0.004 0.000 0.228 859 S C 1.959 176.576 174.600 0.028 0.000 1.027 859 S CA 0.606 58.827 58.200 0.035 0.000 0.991 859 S CB -0.808 62.407 63.200 0.025 0.000 0.823 859 S HN 0.518 nan 8.310 nan 0.000 0.469 860 L N 1.213 122.443 121.223 0.012 0.000 2.043 860 L HA -0.018 4.324 4.340 0.004 0.000 0.212 860 L C 2.121 178.991 176.870 0.002 0.000 1.075 860 L CA 1.462 56.306 54.840 0.006 0.000 0.752 860 L CB -0.809 41.249 42.059 -0.001 0.000 0.891 860 L HN 0.711 nan 8.230 nan 0.000 0.432 861 G N -1.441 107.348 108.800 -0.018 0.000 2.164 861 G HA2 -0.183 3.780 3.960 0.004 0.000 0.154 861 G HA3 -0.183 3.780 3.960 0.004 0.000 0.154 861 G C -0.288 174.561 174.900 -0.086 0.000 1.014 861 G CA -0.449 44.624 45.100 -0.045 0.000 0.683 861 G HN 0.257 nan 8.290 nan 0.000 0.500 862 N N 0.578 119.228 118.700 -0.083 0.000 2.514 862 N HA 0.458 5.201 4.740 0.004 0.000 0.277 862 N C 0.591 175.998 175.510 -0.170 0.000 1.126 862 N CA -0.180 52.810 53.050 -0.100 0.000 0.978 862 N CB 1.872 40.320 38.487 -0.065 0.000 1.106 862 N HN 0.123 nan 8.380 nan 0.000 0.461 863 V N 2.962 122.740 119.914 -0.227 0.000 2.637 863 V HA 0.149 4.272 4.120 0.004 0.000 0.296 863 V C 1.486 177.392 176.094 -0.313 0.000 1.046 863 V CA 0.163 62.236 62.300 -0.378 0.000 1.066 863 V CB 0.490 31.905 31.823 -0.680 0.000 0.968 863 V HN 0.624 nan 8.190 nan 0.000 0.483 864 I N 1.733 122.132 120.570 -0.285 0.000 3.739 864 I HA 0.180 4.353 4.170 0.004 0.000 0.272 864 I C 0.649 176.676 176.117 -0.151 0.000 1.167 864 I CA 0.199 61.398 61.300 -0.169 0.000 1.386 864 I CB 0.536 38.473 38.000 -0.104 0.000 1.490 864 I HN 0.567 nan 8.210 nan 0.000 0.452 865 Q N -0.285 119.425 119.800 -0.150 0.000 2.377 865 Q HA 0.383 4.725 4.340 0.004 0.000 0.271 865 Q C -0.441 175.475 176.000 -0.139 0.000 1.077 865 Q CA -0.574 55.185 55.803 -0.072 0.000 0.820 865 Q CB 2.535 31.277 28.738 0.006 0.000 1.347 865 Q HN 0.072 nan 8.270 nan 0.000 0.444 866 F N 0.489 120.441 119.950 0.004 0.000 2.473 866 F HA 0.172 4.701 4.527 0.004 0.000 0.294 866 F C 0.345 176.156 175.800 0.019 0.000 1.103 866 F CA 0.462 58.466 58.000 0.006 0.000 1.442 866 F CB 0.754 39.755 39.000 0.001 0.000 1.097 866 F HN 0.352 nan 8.300 nan 0.000 0.547 867 I N -1.443 119.233 120.570 0.176 0.000 2.548 867 I HA 0.110 4.283 4.170 0.004 0.000 0.287 867 I C -0.903 175.270 176.117 0.094 0.000 1.103 867 I CA -1.154 60.218 61.300 0.121 0.000 1.049 867 I CB 0.900 38.958 38.000 0.096 0.000 1.232 867 I HN -0.169 nan 8.210 nan 0.000 0.429 868 Y N 6.702 127.000 120.300 -0.004 0.000 2.865 868 Y HA 0.257 4.809 4.550 0.004 0.000 0.338 868 Y C 1.394 177.282 175.900 -0.020 0.000 1.269 868 Y CA 0.996 59.080 58.100 -0.028 0.000 1.585 868 Y CB 0.003 38.436 38.460 -0.045 0.000 1.224 868 Y HN 0.934 nan 8.280 nan 0.000 0.554 869 G N 4.880 113.285 108.800 -0.658 0.000 2.249 869 G HA2 -0.353 3.610 3.960 0.004 0.000 0.273 869 G HA3 -0.353 3.610 3.960 0.004 0.000 0.273 869 G C 0.408 175.194 174.900 -0.189 0.000 1.036 869 G CA 0.577 45.306 45.100 -0.619 0.000 0.824 869 G HN 1.000 nan 8.290 nan 0.000 0.504 870 E N -2.162 117.994 120.200 -0.074 0.000 3.680 870 E HA -0.337 4.015 4.350 0.004 0.000 0.309 870 E C 1.049 177.647 176.600 -0.003 0.000 0.793 870 E CA 1.758 58.163 56.400 0.009 0.000 1.083 870 E CB -0.745 28.998 29.700 0.073 0.000 1.548 870 E HN 0.902 nan 8.360 nan 0.000 0.456 871 D N -1.811 118.569 120.400 -0.034 0.000 2.368 871 D HA 0.148 4.791 4.640 0.004 0.000 0.305 871 D C 0.989 177.282 176.300 -0.012 0.000 1.143 871 D CA 0.661 54.658 54.000 -0.005 0.000 0.847 871 D CB -0.107 40.692 40.800 -0.003 0.000 1.357 871 D HN 0.318 nan 8.370 nan 0.000 0.526 872 G N 0.849 109.636 108.800 -0.020 0.000 2.212 872 G HA2 -0.218 3.744 3.960 0.004 0.000 0.255 872 G HA3 -0.218 3.744 3.960 0.004 0.000 0.255 872 G C -0.315 174.561 174.900 -0.040 0.000 1.062 872 G CA 0.469 45.582 45.100 0.022 0.000 0.815 872 G HN 0.386 nan 8.290 nan 0.000 0.497 873 M N 0.728 120.298 119.600 -0.049 0.000 2.383 873 M HA 0.507 4.989 4.480 0.004 0.000 0.325 873 M C -0.216 176.089 176.300 0.009 0.000 1.092 873 M CA -1.287 53.940 55.300 -0.123 0.000 0.961 873 M CB 1.503 34.003 32.600 -0.166 0.000 1.672 873 M HN 0.127 nan 8.290 nan 0.000 0.438 874 D N 2.513 122.876 120.400 -0.062 0.000 2.417 874 D HA 0.202 4.845 4.640 0.004 0.000 0.250 874 D C 0.651 177.026 176.300 0.125 0.000 1.166 874 D CA 0.363 54.391 54.000 0.047 0.000 0.881 874 D CB 1.326 42.104 40.800 -0.036 0.000 1.164 874 D HN 0.763 nan 8.370 nan 0.000 0.467 875 A N 4.066 126.984 122.820 0.164 0.000 2.024 875 A HA -0.115 4.207 4.320 0.004 0.000 0.220 875 A C 2.050 179.716 177.584 0.136 0.000 1.164 875 A CA 1.861 53.974 52.037 0.126 0.000 0.643 875 A CB -0.408 18.661 19.000 0.114 0.000 0.806 875 A HN 0.649 nan 8.150 nan 0.000 0.451 876 A N -1.222 121.691 122.820 0.155 0.000 2.067 876 A HA -0.091 4.232 4.320 0.004 0.000 0.219 876 A C 1.194 178.781 177.584 0.003 0.000 1.158 876 A CA 0.703 52.784 52.037 0.072 0.000 0.661 876 A CB -0.577 18.454 19.000 0.052 0.000 0.801 876 A HN 0.679 nan 8.150 nan 0.000 0.452 877 H N -0.781 118.299 119.070 0.017 0.000 2.565 877 H HA 0.574 5.133 4.556 0.004 0.000 0.231 877 H C -1.219 174.121 175.328 0.020 0.000 1.692 877 H CA -0.029 56.025 56.048 0.011 0.000 1.269 877 H CB -0.194 29.534 29.762 -0.057 0.000 1.615 877 H HN 0.271 nan 8.280 nan 0.000 0.554 878 I N 1.590 122.248 120.570 0.146 0.000 2.787 878 I HA 0.128 4.301 4.170 0.004 0.000 0.294 878 I C -0.932 175.282 176.117 0.161 0.000 1.365 878 I CA -0.491 60.892 61.300 0.140 0.000 1.029 878 I CB 3.013 41.094 38.000 0.135 0.000 1.313 878 I HN 0.315 nan 8.210 nan 0.000 0.431 879 E N 4.129 124.409 120.200 0.134 0.000 2.429 879 E HA 0.399 4.752 4.350 0.004 0.000 0.276 879 E C -1.368 175.278 176.600 0.077 0.000 0.953 879 E CA -1.179 55.283 56.400 0.103 0.000 0.787 879 E CB 2.333 32.053 29.700 0.034 0.000 1.307 879 E HN 0.314 nan 8.360 nan 0.000 0.458 880 K N 2.113 122.530 120.400 0.027 0.000 2.142 880 K HA 0.109 4.432 4.320 0.004 0.000 0.250 880 K C -0.562 176.033 176.600 -0.007 0.000 1.148 880 K CA 0.009 56.283 56.287 -0.023 0.000 1.040 880 K CB 0.191 32.629 32.500 -0.103 0.000 1.569 880 K HN 0.272 nan 8.250 nan 0.000 0.361 881 Q N 0.963 120.789 119.800 0.045 0.000 2.230 881 Q HA 0.165 4.508 4.340 0.004 0.000 0.253 881 Q C -0.129 175.909 176.000 0.063 0.000 0.919 881 Q CA -0.713 55.125 55.803 0.058 0.000 0.908 881 Q CB 1.532 30.328 28.738 0.098 0.000 1.245 881 Q HN 0.435 nan 8.270 nan 0.000 0.437 882 S N 2.202 117.934 115.700 0.052 0.000 2.531 882 S HA 0.261 4.734 4.470 0.004 0.000 0.279 882 S C -0.019 174.636 174.600 0.093 0.000 1.305 882 S CA -0.679 57.555 58.200 0.056 0.000 1.058 882 S CB 0.233 63.463 63.200 0.049 0.000 0.899 882 S HN 0.506 nan 8.310 nan 0.000 0.493 883 L N 3.486 124.771 121.223 0.102 0.000 2.334 883 L HA 0.245 4.587 4.340 0.004 0.000 0.286 883 L C 0.681 177.617 176.870 0.110 0.000 1.108 883 L CA -0.396 54.515 54.840 0.118 0.000 0.875 883 L CB 0.257 42.394 42.059 0.130 0.000 1.246 883 L HN 0.771 nan 8.230 nan 0.000 0.439 884 D N 0.787 121.271 120.400 0.140 0.000 2.371 884 D HA -0.081 4.561 4.640 0.004 0.000 0.221 884 D C 1.432 177.790 176.300 0.096 0.000 0.986 884 D CA 0.948 55.037 54.000 0.149 0.000 0.899 884 D CB 0.398 41.344 40.800 0.243 0.000 0.902 884 D HN 0.564 nan 8.370 nan 0.000 0.530 885 T N 0.529 115.132 114.554 0.082 0.000 3.043 885 T HA 0.067 4.419 4.350 0.004 0.000 0.263 885 T C 1.957 176.616 174.700 -0.068 0.000 1.094 885 T CA -0.048 62.055 62.100 0.004 0.000 1.127 885 T CB 0.574 69.485 68.868 0.071 0.000 0.905 885 T HN 0.186 nan 8.240 nan 0.000 0.490 886 I N 0.918 121.489 120.570 0.002 0.000 3.645 886 I HA 0.284 4.456 4.170 0.004 0.000 0.300 886 I C 1.289 177.436 176.117 0.049 0.000 1.260 886 I CA -0.087 61.220 61.300 0.012 0.000 1.365 886 I CB -0.107 37.936 38.000 0.071 0.000 1.077 886 I HN 0.206 nan 8.210 nan 0.000 0.439 887 G N 0.141 108.967 108.800 0.043 0.000 2.557 887 G HA2 0.479 4.442 3.960 0.004 0.000 0.292 887 G HA3 0.479 4.442 3.960 0.004 0.000 0.292 887 G C 0.130 175.071 174.900 0.068 0.000 1.237 887 G CA 0.302 45.445 45.100 0.072 0.000 0.978 887 G HN 0.557 nan 8.290 nan 0.000 0.498 888 G N -1.139 107.713 108.800 0.086 0.000 2.750 888 G HA2 0.249 4.211 3.960 0.004 0.000 0.228 888 G HA3 0.249 4.211 3.960 0.004 0.000 0.228 888 G C 0.270 175.203 174.900 0.054 0.000 1.367 888 G CA 0.547 45.693 45.100 0.077 0.000 0.871 888 G HN 2.092 nan 8.290 nan 0.000 0.560 889 S N -1.118 114.616 115.700 0.056 0.000 2.681 889 S HA 0.639 5.111 4.470 0.004 0.000 0.299 889 S C 0.856 175.494 174.600 0.062 0.000 1.113 889 S CA 0.393 58.612 58.200 0.031 0.000 1.013 889 S CB 2.177 65.397 63.200 0.034 0.000 1.076 889 S HN 0.616 nan 8.310 nan 0.000 0.534 890 D N 1.082 121.501 120.400 0.032 0.000 2.190 890 D HA -0.123 4.519 4.640 0.004 0.000 0.200 890 D C 2.085 178.479 176.300 0.156 0.000 0.992 890 D CA 1.680 55.736 54.000 0.093 0.000 0.854 890 D CB -0.382 40.446 40.800 0.046 0.000 0.936 890 D HN 0.712 nan 8.370 nan 0.000 0.462 891 A N 1.157 124.039 122.820 0.104 0.000 1.902 891 A HA -0.035 4.288 4.320 0.004 0.000 0.217 891 A C 2.337 179.991 177.584 0.116 0.000 1.181 891 A CA 2.030 54.126 52.037 0.099 0.000 0.623 891 A CB -0.483 18.555 19.000 0.064 0.000 0.818 891 A HN 0.252 nan 8.150 nan 0.000 0.443 892 A N -1.550 121.343 122.820 0.121 0.000 1.930 892 A HA 0.097 4.420 4.320 0.004 0.000 0.215 892 A C 1.986 179.673 177.584 0.171 0.000 1.176 892 A CA 1.319 53.430 52.037 0.123 0.000 0.632 892 A CB -0.661 18.404 19.000 0.108 0.000 0.819 892 A HN 0.556 nan 8.150 nan 0.000 0.445 893 F N 0.922 120.887 119.950 0.025 0.000 2.095 893 F HA -0.190 4.340 4.527 0.004 0.000 0.298 893 F C 2.222 178.098 175.800 0.126 0.000 1.104 893 F CA 2.272 60.269 58.000 -0.005 0.000 1.232 893 F CB -0.217 38.745 39.000 -0.063 0.000 0.987 893 F HN 0.403 nan 8.300 nan 0.000 0.475 894 E N 0.044 120.354 120.200 0.184 0.000 2.152 894 E HA -0.218 4.134 4.350 0.004 0.000 0.192 894 E C 1.938 178.599 176.600 0.101 0.000 0.983 894 E CA 0.598 57.092 56.400 0.157 0.000 0.818 894 E CB -0.190 29.637 29.700 0.212 0.000 0.758 894 E HN 0.325 nan 8.360 nan 0.000 0.467 895 K N 0.208 120.661 120.400 0.089 0.000 2.589 895 K HA -0.076 4.246 4.320 0.004 0.000 0.192 895 K C 1.737 178.360 176.600 0.038 0.000 1.029 895 K CA 0.361 56.674 56.287 0.043 0.000 1.031 895 K CB 0.233 32.757 32.500 0.039 0.000 0.821 895 K HN -0.033 nan 8.250 nan 0.000 0.502 896 R N -1.622 118.921 120.500 0.070 0.000 2.622 896 R HA 0.068 4.411 4.340 0.004 0.000 0.180 896 R C 0.666 177.049 176.300 0.138 0.000 0.813 896 R CA 0.094 56.268 56.100 0.124 0.000 1.049 896 R CB 0.375 30.823 30.300 0.246 0.000 1.438 896 R HN 0.095 nan 8.270 nan 0.000 0.636 897 Y N 0.348 120.514 120.300 -0.223 0.000 2.458 897 Y HA 0.323 4.876 4.550 0.004 0.000 0.256 897 Y C 0.096 175.998 175.900 0.004 0.000 1.159 897 Y CA -0.210 57.766 58.100 -0.206 0.000 1.261 897 Y CB 0.375 38.527 38.460 -0.514 0.000 1.119 897 Y HN -0.191 nan 8.280 nan 0.000 0.524 898 R N 1.106 121.692 120.500 0.143 0.000 2.207 898 R HA 0.514 4.857 4.340 0.004 0.000 0.334 898 R C -1.620 174.656 176.300 -0.041 0.000 1.013 898 R CA -0.405 55.692 56.100 -0.004 0.000 0.858 898 R CB 0.223 30.450 30.300 -0.122 0.000 1.094 898 R HN -0.114 nan 8.270 nan 0.000 0.457 899 V N 4.635 124.507 119.914 -0.070 0.000 2.334 899 V HA 0.312 4.435 4.120 0.004 0.000 0.281 899 V C -0.655 175.392 176.094 -0.078 0.000 1.016 899 V CA -0.812 61.454 62.300 -0.056 0.000 0.832 899 V CB 1.410 33.200 31.823 -0.055 0.000 0.999 899 V HN 0.666 nan 8.190 nan 0.000 0.439 900 D N 3.872 124.244 120.400 -0.045 0.000 2.453 900 D HA 0.432 5.075 4.640 0.004 0.000 0.238 900 D C 0.736 177.016 176.300 -0.034 0.000 1.088 900 D CA -0.347 53.612 54.000 -0.068 0.000 0.854 900 D CB 1.665 42.398 40.800 -0.112 0.000 1.076 900 D HN 0.401 nan 8.370 nan 0.000 0.533 901 L N 2.968 124.165 121.223 -0.042 0.000 2.552 901 L HA 0.058 4.400 4.340 0.004 0.000 0.227 901 L C 1.629 178.481 176.870 -0.029 0.000 1.146 901 L CA 0.496 55.317 54.840 -0.032 0.000 0.858 901 L CB -0.071 41.967 42.059 -0.035 0.000 0.969 901 L HN 0.408 nan 8.230 nan 0.000 0.451 902 L N -1.417 119.783 121.223 -0.038 0.000 2.585 902 L HA 0.130 4.472 4.340 0.004 0.000 0.226 902 L C 0.614 177.464 176.870 -0.034 0.000 1.113 902 L CA 0.089 54.907 54.840 -0.037 0.000 0.876 902 L CB -0.247 41.784 42.059 -0.046 0.000 1.072 902 L HN 0.197 nan 8.230 nan 0.000 0.468 903 N N -0.668 118.015 118.700 -0.028 0.000 2.421 903 N HA 0.133 4.876 4.740 0.004 0.000 0.285 903 N C 0.919 176.448 175.510 0.032 0.000 1.027 903 N CA -0.161 52.883 53.050 -0.009 0.000 0.918 903 N CB 1.502 39.964 38.487 -0.043 0.000 1.152 903 N HN -0.122 nan 8.380 nan 0.000 0.485 904 T N 0.750 115.322 114.554 0.030 0.000 2.881 904 T HA -0.084 4.269 4.350 0.004 0.000 0.270 904 T C 0.128 174.851 174.700 0.038 0.000 1.068 904 T CA 1.057 63.172 62.100 0.025 0.000 1.131 904 T CB -0.009 68.868 68.868 0.015 0.000 0.871 904 T HN 0.556 nan 8.240 nan 0.000 0.479 905 D N -0.339 120.119 120.400 0.096 0.000 2.431 905 D HA 0.139 4.782 4.640 0.004 0.000 0.213 905 D C 0.427 176.715 176.300 -0.019 0.000 1.130 905 D CA 0.177 54.214 54.000 0.060 0.000 0.834 905 D CB 0.306 41.152 40.800 0.077 0.000 0.985 905 D HN 0.418 nan 8.370 nan 0.000 0.504 906 H N -1.254 117.790 119.070 -0.043 0.000 3.052 906 H HA 0.243 4.801 4.556 0.004 0.000 0.257 906 H C -0.106 175.185 175.328 -0.061 0.000 1.193 906 H CA -0.005 56.010 56.048 -0.054 0.000 1.072 906 H CB 0.724 30.446 29.762 -0.067 0.000 1.685 906 H HN -0.186 nan 8.280 nan 0.000 0.630 907 T N 1.334 115.906 114.554 0.030 0.000 2.922 907 T HA 0.284 4.636 4.350 0.004 0.000 0.285 907 T C 0.450 175.131 174.700 -0.032 0.000 1.005 907 T CA -0.746 61.351 62.100 -0.006 0.000 1.061 907 T CB 1.021 69.884 68.868 -0.009 0.000 1.007 907 T HN 0.155 nan 8.240 nan 0.000 0.502 908 L N 3.165 124.362 121.223 -0.043 0.000 2.742 908 L HA 0.029 4.372 4.340 0.004 0.000 0.275 908 L C 1.108 177.951 176.870 -0.046 0.000 1.141 908 L CA -0.101 54.707 54.840 -0.054 0.000 0.987 908 L CB -0.368 41.653 42.059 -0.063 0.000 1.319 908 L HN 0.613 nan 8.230 nan 0.000 0.478 909 D N 6.682 127.054 120.400 -0.045 0.000 2.586 909 D HA -0.055 4.587 4.640 0.004 0.000 0.234 909 D C -1.108 175.172 176.300 -0.034 0.000 1.132 909 D CA -0.726 53.252 54.000 -0.037 0.000 0.860 909 D CB 1.341 42.119 40.800 -0.037 0.000 1.159 909 D HN 0.360 nan 8.370 nan 0.000 0.490 910 P HA -0.159 nan 4.420 nan 0.000 0.221 910 P C 1.063 178.349 177.300 -0.023 0.000 1.145 910 P CA 0.813 63.897 63.100 -0.026 0.000 0.795 910 P CB 0.021 31.707 31.700 -0.022 0.000 0.775 911 S N -1.777 113.911 115.700 -0.021 0.000 2.595 911 S HA -0.012 4.460 4.470 0.004 0.000 0.235 911 S C 1.667 176.258 174.600 -0.015 0.000 0.974 911 S CA 0.423 58.614 58.200 -0.015 0.000 0.942 911 S CB -1.123 62.069 63.200 -0.013 0.000 0.766 911 S HN 0.114 nan 8.310 nan 0.000 0.536 912 L N -0.881 120.328 121.223 -0.024 0.000 2.416 912 L HA 0.449 4.791 4.340 0.004 0.000 0.188 912 L C 0.646 177.497 176.870 -0.032 0.000 1.145 912 L CA -0.148 54.675 54.840 -0.028 0.000 0.826 912 L CB -0.462 41.572 42.059 -0.043 0.000 1.064 912 L HN 0.307 nan 8.230 nan 0.000 0.490 913 L N 0.515 121.714 121.223 -0.040 0.000 2.334 913 L HA 0.142 4.485 4.340 0.004 0.000 0.277 913 L C 1.141 177.991 176.870 -0.034 0.000 1.075 913 L CA 0.452 55.266 54.840 -0.043 0.000 0.804 913 L CB 1.061 43.087 42.059 -0.055 0.000 1.174 913 L HN 0.136 nan 8.230 nan 0.000 0.438 914 E N 0.817 120.999 120.200 -0.031 0.000 2.153 914 E HA -0.137 4.215 4.350 0.004 0.000 0.194 914 E C 0.777 177.361 176.600 -0.026 0.000 0.988 914 E CA 1.422 57.807 56.400 -0.025 0.000 0.811 914 E CB 0.149 29.835 29.700 -0.023 0.000 0.746 914 E HN 0.761 nan 8.360 nan 0.000 0.466 915 S N -0.917 114.764 115.700 -0.031 0.000 2.561 915 S HA 0.238 4.711 4.470 0.004 0.000 0.245 915 S C 1.280 175.861 174.600 -0.032 0.000 1.001 915 S CA -0.153 58.030 58.200 -0.030 0.000 1.002 915 S CB 1.043 64.224 63.200 -0.031 0.000 0.805 915 S HN 0.214 nan 8.310 nan 0.000 0.458 916 G N 2.268 111.049 108.800 -0.032 0.000 2.492 916 G HA2 -0.036 3.927 3.960 0.004 0.000 0.214 916 G HA3 -0.036 3.927 3.960 0.004 0.000 0.214 916 G C 1.526 176.409 174.900 -0.028 0.000 1.147 916 G CA 0.573 45.653 45.100 -0.034 0.000 0.809 916 G HN 0.692 nan 8.290 nan 0.000 0.533 917 S N 1.214 116.900 115.700 -0.024 0.000 2.428 917 S HA -0.065 4.408 4.470 0.004 0.000 0.230 917 S C 1.540 176.128 174.600 -0.019 0.000 1.014 917 S CA 1.258 59.446 58.200 -0.020 0.000 0.957 917 S CB -0.189 63.001 63.200 -0.017 0.000 0.784 917 S HN 0.662 nan 8.310 nan 0.000 0.499 918 E N 0.016 120.204 120.200 -0.020 0.000 2.405 918 E HA 0.453 4.806 4.350 0.004 0.000 0.214 918 E C 0.724 177.311 176.600 -0.021 0.000 1.101 918 E CA -0.206 56.182 56.400 -0.018 0.000 1.254 918 E CB -0.091 29.599 29.700 -0.017 0.000 1.240 918 E HN 0.536 nan 8.360 nan 0.000 0.439 919 I N -0.006 120.550 120.570 -0.023 0.000 4.607 919 I HA 0.094 4.267 4.170 0.004 0.000 0.324 919 I C 0.645 176.747 176.117 -0.025 0.000 1.279 919 I CA -0.412 60.873 61.300 -0.026 0.000 1.286 919 I CB 0.897 38.878 38.000 -0.031 0.000 1.265 919 I HN 0.302 nan 8.210 nan 0.000 0.446 920 L N 2.767 123.976 121.223 -0.023 0.000 2.745 920 L HA 0.007 4.349 4.340 0.004 0.000 0.273 920 L C 1.013 177.871 176.870 -0.020 0.000 1.156 920 L CA 1.391 56.218 54.840 -0.021 0.000 0.982 920 L CB -0.300 41.749 42.059 -0.018 0.000 1.295 920 L HN 0.576 nan 8.230 nan 0.000 0.483 921 G N 2.901 111.688 108.800 -0.022 0.000 2.278 921 G HA2 -0.250 3.713 3.960 0.004 0.000 0.210 921 G HA3 -0.250 3.713 3.960 0.004 0.000 0.210 921 G C 0.257 175.144 174.900 -0.021 0.000 1.000 921 G CA -0.008 45.079 45.100 -0.021 0.000 0.635 921 G HN 0.636 nan 8.290 nan 0.000 0.495 922 D N 1.474 121.861 120.400 -0.022 0.000 2.433 922 D HA 0.227 4.869 4.640 0.004 0.000 0.274 922 D C 1.951 178.239 176.300 -0.021 0.000 1.344 922 D CA 0.172 54.159 54.000 -0.020 0.000 0.989 922 D CB 0.178 40.966 40.800 -0.021 0.000 1.116 922 D HN 0.310 nan 8.370 nan 0.000 0.533 923 L N 3.683 124.894 121.223 -0.019 0.000 2.046 923 L HA -0.189 4.154 4.340 0.004 0.000 0.208 923 L C 2.443 179.303 176.870 -0.017 0.000 1.077 923 L CA 1.184 56.013 54.840 -0.019 0.000 0.747 923 L CB -0.143 41.906 42.059 -0.017 0.000 0.896 923 L HN 0.337 nan 8.230 nan 0.000 0.432 924 K N -0.100 120.291 120.400 -0.015 0.000 2.026 924 K HA -0.130 4.193 4.320 0.004 0.000 0.208 924 K C 2.051 178.642 176.600 -0.014 0.000 1.048 924 K CA 1.183 57.462 56.287 -0.013 0.000 0.929 924 K CB -0.134 32.359 32.500 -0.012 0.000 0.713 924 K HN 0.213 nan 8.250 nan 0.000 0.439 925 L N 0.835 122.048 121.223 -0.018 0.000 2.191 925 L HA -0.192 4.151 4.340 0.004 0.000 0.212 925 L C 2.444 179.301 176.870 -0.021 0.000 1.103 925 L CA 0.988 55.816 54.840 -0.020 0.000 0.769 925 L CB -0.355 41.689 42.059 -0.025 0.000 0.908 925 L HN 0.323 nan 8.230 nan 0.000 0.438 926 Q N -0.288 119.498 119.800 -0.022 0.000 2.297 926 Q HA -0.085 4.258 4.340 0.004 0.000 0.204 926 Q C 2.232 178.222 176.000 -0.016 0.000 0.962 926 Q CA 1.010 56.799 55.803 -0.025 0.000 0.879 926 Q CB 0.203 28.922 28.738 -0.030 0.000 0.947 926 Q HN 0.437 nan 8.270 nan 0.000 0.462 927 V N 0.235 120.142 119.914 -0.012 0.000 2.667 927 V HA -0.139 3.984 4.120 0.004 0.000 0.252 927 V C 1.914 178.009 176.094 0.001 0.000 1.065 927 V CA 1.013 63.310 62.300 -0.005 0.000 1.083 927 V CB -0.244 31.575 31.823 -0.006 0.000 0.692 927 V HN 0.223 nan 8.190 nan 0.000 0.468 928 L N -0.261 120.961 121.223 -0.002 0.000 2.741 928 L HA 0.272 4.615 4.340 0.004 0.000 0.237 928 L C 1.373 178.245 176.870 0.003 0.000 1.178 928 L CA 0.166 55.007 54.840 0.002 0.000 0.973 928 L CB 0.473 42.530 42.059 -0.002 0.000 1.255 928 L HN 0.275 nan 8.230 nan 0.000 0.498 929 L N -1.206 120.018 121.223 0.002 0.000 3.039 929 L HA 0.177 4.520 4.340 0.004 0.000 0.269 929 L C 0.775 177.657 176.870 0.020 0.000 1.169 929 L CA 0.527 55.369 54.840 0.003 0.000 0.986 929 L CB 0.466 42.513 42.059 -0.020 0.000 1.377 929 L HN 0.150 nan 8.230 nan 0.000 0.575 930 D N 0.078 120.492 120.400 0.024 0.000 2.262 930 D HA -0.055 4.588 4.640 0.004 0.000 0.212 930 D C 1.649 178.006 176.300 0.094 0.000 0.964 930 D CA 0.701 54.731 54.000 0.050 0.000 0.875 930 D CB 0.443 41.256 40.800 0.022 0.000 0.996 930 D HN 0.271 nan 8.370 nan 0.000 0.497 931 E N 0.660 120.897 120.200 0.060 0.000 2.338 931 E HA -0.143 4.210 4.350 0.004 0.000 0.197 931 E C 1.676 178.317 176.600 0.068 0.000 1.007 931 E CA 0.380 56.814 56.400 0.056 0.000 0.849 931 E CB 0.166 29.884 29.700 0.029 0.000 0.774 931 E HN 0.363 nan 8.360 nan 0.000 0.506 932 E N -0.208 120.042 120.200 0.083 0.000 2.107 932 E HA -0.191 4.161 4.350 0.004 0.000 0.191 932 E C 1.536 178.222 176.600 0.144 0.000 0.982 932 E CA 0.689 57.143 56.400 0.091 0.000 0.809 932 E CB 0.057 29.802 29.700 0.075 0.000 0.756 932 E HN 0.266 nan 8.360 nan 0.000 0.459 933 Y N 1.179 121.503 120.300 0.040 0.000 2.176 933 Y HA -0.010 4.543 4.550 0.004 0.000 0.291 933 Y C 2.203 178.156 175.900 0.087 0.000 1.122 933 Y CA 1.442 59.583 58.100 0.068 0.000 1.128 933 Y CB 0.052 38.538 38.460 0.044 0.000 1.005 933 Y HN -0.149 nan 8.280 nan 0.000 0.509 934 K N -0.386 120.130 120.400 0.194 0.000 2.189 934 K HA -0.339 3.983 4.320 0.004 0.000 0.207 934 K C 2.063 178.684 176.600 0.035 0.000 1.046 934 K CA 2.064 58.411 56.287 0.101 0.000 0.928 934 K CB -0.105 32.443 32.500 0.081 0.000 0.720 934 K HN 0.274 nan 8.250 nan 0.000 0.458 935 Q N 0.569 120.387 119.800 0.031 0.000 2.204 935 Q HA 0.047 4.390 4.340 0.004 0.000 0.198 935 Q C 1.762 177.766 176.000 0.007 0.000 0.946 935 Q CA 0.912 56.718 55.803 0.006 0.000 0.859 935 Q CB 0.069 28.811 28.738 0.006 0.000 0.946 935 Q HN 0.264 nan 8.270 nan 0.000 0.474 936 L N -0.513 120.721 121.223 0.018 0.000 2.191 936 L HA -0.126 4.217 4.340 0.004 0.000 0.212 936 L C 1.923 178.825 176.870 0.052 0.000 1.103 936 L CA 0.607 55.486 54.840 0.066 0.000 0.769 936 L CB -0.158 41.950 42.059 0.082 0.000 0.908 936 L HN 0.120 nan 8.230 nan 0.000 0.438 937 V N -0.610 119.272 119.914 -0.054 0.000 2.446 937 V HA -0.203 3.920 4.120 0.004 0.000 0.244 937 V C 2.400 178.458 176.094 -0.060 0.000 1.039 937 V CA 1.363 63.612 62.300 -0.086 0.000 1.045 937 V CB -0.351 31.427 31.823 -0.075 0.000 0.681 937 V HN 0.384 nan 8.190 nan 0.000 0.459 938 K N 0.225 120.610 120.400 -0.026 0.000 2.152 938 K HA -0.244 4.079 4.320 0.004 0.000 0.206 938 K C 1.715 178.326 176.600 0.019 0.000 1.048 938 K CA 1.879 58.158 56.287 -0.012 0.000 0.933 938 K CB -0.167 32.315 32.500 -0.031 0.000 0.721 938 K HN 0.408 nan 8.250 nan 0.000 0.447 939 D N 0.097 120.505 120.400 0.014 0.000 2.117 939 D HA -0.142 4.501 4.640 0.004 0.000 0.197 939 D C 1.937 178.285 176.300 0.079 0.000 0.987 939 D CA 0.971 55.013 54.000 0.069 0.000 0.829 939 D CB -0.006 40.831 40.800 0.062 0.000 0.961 939 D HN 0.207 nan 8.370 nan 0.000 0.460 940 R N 0.564 121.036 120.500 -0.046 0.000 2.075 940 R HA -0.104 4.238 4.340 0.004 0.000 0.230 940 R C 1.990 178.239 176.300 -0.084 0.000 1.140 940 R CA 1.143 57.157 56.100 -0.145 0.000 0.928 940 R CB 0.117 30.169 30.300 -0.413 0.000 0.834 940 R HN -0.043 nan 8.270 nan 0.000 0.429 941 K N 0.193 120.549 120.400 -0.074 0.000 2.089 941 K HA -0.228 4.095 4.320 0.004 0.000 0.210 941 K C 1.926 178.522 176.600 -0.006 0.000 1.048 941 K CA 1.585 57.845 56.287 -0.045 0.000 0.926 941 K CB -0.660 31.824 32.500 -0.026 0.000 0.714 941 K HN 0.251 nan 8.250 nan 0.000 0.448 942 F N 1.552 121.439 119.950 -0.105 0.000 2.084 942 F HA -0.104 4.425 4.527 0.004 0.000 0.296 942 F C 2.119 177.833 175.800 -0.144 0.000 1.111 942 F CA 1.082 59.012 58.000 -0.116 0.000 1.224 942 F CB -0.413 38.523 39.000 -0.106 0.000 0.991 942 F HN -0.136 nan 8.300 nan 0.000 0.471 943 L N 0.365 121.463 121.223 -0.208 0.000 2.046 943 L HA -0.193 4.149 4.340 0.004 0.000 0.208 943 L C 2.561 179.262 176.870 -0.282 0.000 1.077 943 L CA 1.405 56.056 54.840 -0.316 0.000 0.747 943 L CB -0.613 41.442 42.059 -0.006 0.000 0.896 943 L HN 0.053 nan 8.230 nan 0.000 0.432 944 R N -0.123 120.294 120.500 -0.137 0.000 2.293 944 R HA -0.129 4.213 4.340 0.004 0.000 0.219 944 R C 1.544 177.766 176.300 -0.129 0.000 1.091 944 R CA 0.811 56.887 56.100 -0.041 0.000 1.004 944 R CB -0.146 30.169 30.300 0.024 0.000 0.865 944 R HN 0.530 nan 8.270 nan 0.000 0.469 945 E N -0.317 119.717 120.200 -0.278 0.000 2.460 945 E HA 0.009 4.362 4.350 0.004 0.000 0.200 945 E C 1.513 177.837 176.600 -0.461 0.000 1.011 945 E CA 0.062 56.280 56.400 -0.303 0.000 0.912 945 E CB 0.603 30.145 29.700 -0.263 0.000 0.953 945 E HN 0.051 nan 8.360 nan 0.000 0.494 946 V N 0.508 119.998 119.914 -0.707 0.000 2.278 946 V HA -0.057 4.065 4.120 0.004 0.000 0.238 946 V C 0.599 176.188 176.094 -0.843 0.000 1.039 946 V CA 1.148 62.875 62.300 -0.955 0.000 1.017 946 V CB -0.069 30.872 31.823 -1.470 0.000 0.657 946 V HN 0.105 nan 8.190 nan 0.000 0.462 947 F N 0.364 120.082 119.950 -0.387 0.000 2.334 947 F HA 0.340 4.870 4.527 0.004 0.000 0.365 947 F C 0.988 176.685 175.800 -0.171 0.000 1.124 947 F CA -0.424 57.405 58.000 -0.285 0.000 1.166 947 F CB 0.436 39.263 39.000 -0.289 0.000 1.355 947 F HN -0.138 nan 8.300 nan 0.000 0.532 948 V N 0.433 120.341 119.914 -0.010 0.000 2.970 948 V HA -0.181 3.941 4.120 0.004 0.000 0.260 948 V C 1.490 177.595 176.094 0.019 0.000 1.100 948 V CA 1.169 63.473 62.300 0.007 0.000 1.122 948 V CB -0.482 31.326 31.823 -0.026 0.000 0.721 948 V HN 0.641 nan 8.190 nan 0.000 0.483 949 D N 1.325 121.720 120.400 -0.008 0.000 2.219 949 D HA -0.018 4.624 4.640 0.004 0.000 0.205 949 D C 2.019 178.098 176.300 -0.368 0.000 0.970 949 D CA 1.565 55.516 54.000 -0.083 0.000 0.851 949 D CB -0.056 40.738 40.800 -0.011 0.000 0.943 949 D HN 0.606 nan 8.370 nan 0.000 0.488 950 G N 1.223 109.765 108.800 -0.431 0.000 2.175 950 G HA2 -0.291 3.671 3.960 0.004 0.000 0.244 950 G HA3 -0.291 3.671 3.960 0.004 0.000 0.244 950 G C 0.230 174.933 174.900 -0.328 0.000 0.982 950 G CA 0.271 44.876 45.100 -0.825 0.000 0.641 950 G HN 0.349 nan 8.290 nan 0.000 0.527 951 E N 0.839 120.967 120.200 -0.120 0.000 2.480 951 E HA 0.562 4.914 4.350 0.004 0.000 0.258 951 E C 1.267 177.911 176.600 0.073 0.000 0.984 951 E CA 1.068 57.451 56.400 -0.029 0.000 0.930 951 E CB 0.654 30.370 29.700 0.026 0.000 0.936 951 E HN 0.749 nan 8.360 nan 0.000 0.466 952 A N 5.196 128.006 122.820 -0.016 0.000 2.085 952 A HA 0.088 4.410 4.320 0.004 0.000 0.208 952 A C 0.441 178.074 177.584 0.081 0.000 1.191 952 A CA -0.018 52.045 52.037 0.042 0.000 0.799 952 A CB 0.011 19.021 19.000 0.017 0.000 0.877 952 A HN 0.676 nan 8.150 nan 0.000 0.473 953 N N 0.015 118.628 118.700 -0.145 0.000 2.401 953 N HA 0.311 5.054 4.740 0.004 0.000 0.255 953 N C -1.720 173.467 175.510 -0.539 0.000 1.110 953 N CA 0.284 53.195 53.050 -0.231 0.000 0.949 953 N CB 0.445 38.776 38.487 -0.259 0.000 1.110 953 N HN 0.447 nan 8.380 nan 0.000 0.490 954 W N 2.009 123.193 121.300 -0.193 0.000 3.107 954 W HA 0.301 4.963 4.660 0.004 0.000 0.331 954 W C -2.180 174.311 176.519 -0.047 0.000 1.204 954 W CA -1.713 55.524 57.345 -0.180 0.000 1.184 954 W CB 0.978 30.254 29.460 -0.307 0.000 1.421 954 W HN 0.310 nan 8.180 nan 0.000 0.544 955 P HA 0.132 nan 4.420 nan 0.000 0.264 955 P C -0.819 176.609 177.300 0.212 0.000 1.236 955 P CA 0.804 64.026 63.100 0.204 0.000 0.811 955 P CB 0.497 32.343 31.700 0.243 0.000 0.840 956 L N 6.125 127.464 121.223 0.193 0.000 2.445 956 L HA 0.452 4.794 4.340 0.004 0.000 0.262 956 L C -2.338 174.636 176.870 0.174 0.000 0.974 956 L CA -2.738 52.230 54.840 0.213 0.000 0.822 956 L CB 3.338 45.584 42.059 0.313 0.000 1.339 956 L HN 0.109 nan 8.230 nan 0.000 0.409 957 P HA 0.050 nan 4.420 nan 0.000 0.268 957 P C -0.533 176.835 177.300 0.113 0.000 1.208 957 P CA 0.197 63.291 63.100 -0.010 0.000 0.777 957 P CB 0.773 32.292 31.700 -0.301 0.000 0.875 958 V N -0.316 119.667 119.914 0.115 0.000 4.394 958 V HA -0.213 3.909 4.120 0.004 0.000 0.413 958 V C 0.628 176.840 176.094 0.197 0.000 0.674 958 V CA -0.006 62.403 62.300 0.182 0.000 1.706 958 V CB -2.220 29.789 31.823 0.310 0.000 2.080 958 V HN 0.910 nan 8.190 nan 0.000 0.482 959 N N 3.716 122.476 118.700 0.100 0.000 2.440 959 N HA 0.199 4.942 4.740 0.004 0.000 0.265 959 N C 0.852 176.392 175.510 0.050 0.000 1.239 959 N CA 0.452 53.538 53.050 0.059 0.000 0.909 959 N CB 0.869 39.346 38.487 -0.017 0.000 1.066 959 N HN 0.701 nan 8.380 nan 0.000 0.474 960 I N 3.731 124.331 120.570 0.051 0.000 2.731 960 I HA -0.070 4.102 4.170 0.004 0.000 0.260 960 I C 2.043 178.138 176.117 -0.038 0.000 1.138 960 I CA 0.054 61.361 61.300 0.012 0.000 1.461 960 I CB -0.022 37.989 38.000 0.019 0.000 1.128 960 I HN 0.493 nan 8.210 nan 0.000 0.438 961 R N 1.089 121.573 120.500 -0.026 0.000 2.113 961 R HA -0.209 4.133 4.340 0.004 0.000 0.244 961 R C 2.348 178.609 176.300 -0.065 0.000 1.142 961 R CA 1.488 57.558 56.100 -0.049 0.000 0.953 961 R CB -0.617 29.683 30.300 -0.001 0.000 0.860 961 R HN 0.347 nan 8.270 nan 0.000 0.438 962 R N 0.607 121.086 120.500 -0.036 0.000 2.066 962 R HA 0.001 4.343 4.340 0.004 0.000 0.232 962 R C 2.410 178.679 176.300 -0.052 0.000 1.131 962 R CA 1.085 57.166 56.100 -0.033 0.000 0.955 962 R CB -0.363 29.933 30.300 -0.008 0.000 0.851 962 R HN 0.212 nan 8.270 nan 0.000 0.432 963 I N 0.757 121.297 120.570 -0.049 0.000 2.657 963 I HA -0.274 3.899 4.170 0.004 0.000 0.261 963 I C 1.712 177.796 176.117 -0.055 0.000 1.212 963 I CA 1.190 62.446 61.300 -0.073 0.000 1.453 963 I CB 0.156 38.101 38.000 -0.092 0.000 1.092 963 I HN 0.247 nan 8.210 nan 0.000 0.452 964 I N -0.734 119.790 120.570 -0.077 0.000 2.810 964 I HA -0.160 4.013 4.170 0.004 0.000 0.262 964 I C 2.168 178.228 176.117 -0.095 0.000 1.131 964 I CA 0.413 61.657 61.300 -0.093 0.000 1.453 964 I CB -0.065 37.752 38.000 -0.304 0.000 1.161 964 I HN 0.131 nan 8.210 nan 0.000 0.444 965 Q N 0.779 120.468 119.800 -0.185 0.000 2.226 965 Q HA -0.174 4.169 4.340 0.004 0.000 0.204 965 Q C 1.747 177.498 176.000 -0.415 0.000 0.975 965 Q CA 1.170 56.762 55.803 -0.352 0.000 0.866 965 Q CB -0.026 28.406 28.738 -0.509 0.000 0.915 965 Q HN 0.485 nan 8.270 nan 0.000 0.440 966 N N 0.458 119.059 118.700 -0.164 0.000 2.142 966 N HA -0.104 4.638 4.740 0.004 0.000 0.186 966 N C 1.580 177.116 175.510 0.043 0.000 1.023 966 N CA 1.273 54.314 53.050 -0.015 0.000 0.852 966 N CB -0.253 38.355 38.487 0.201 0.000 0.998 966 N HN 0.211 nan 8.380 nan 0.000 0.424 967 A N 1.475 124.481 122.820 0.311 0.000 2.015 967 A HA -0.124 4.199 4.320 0.004 0.000 0.219 967 A C 2.102 179.784 177.584 0.163 0.000 1.163 967 A CA 0.966 53.216 52.037 0.355 0.000 0.646 967 A CB -0.267 19.123 19.000 0.650 0.000 0.806 967 A HN 0.261 nan 8.150 nan 0.000 0.448 968 Q N -0.649 119.176 119.800 0.042 0.000 2.119 968 Q HA -0.214 4.129 4.340 0.004 0.000 0.201 968 Q C 1.805 177.768 176.000 -0.061 0.000 0.972 968 Q CA 1.766 57.578 55.803 0.016 0.000 0.847 968 Q CB -0.160 28.575 28.738 -0.004 0.000 0.903 968 Q HN 1.031 nan 8.270 nan 0.000 0.433 969 Q N -1.543 118.162 119.800 -0.159 0.000 2.217 969 Q HA 0.190 4.533 4.340 0.004 0.000 0.217 969 Q C 1.333 177.046 176.000 -0.479 0.000 0.844 969 Q CA 0.368 56.007 55.803 -0.274 0.000 0.957 969 Q CB 0.243 28.910 28.738 -0.118 0.000 1.127 969 Q HN -0.073 nan 8.270 nan 0.000 0.503 970 T N 0.231 114.486 114.554 -0.499 0.000 2.770 970 T HA 0.075 4.428 4.350 0.004 0.000 0.258 970 T C 0.179 174.390 174.700 -0.814 0.000 1.039 970 T CA 1.038 62.651 62.100 -0.811 0.000 1.143 970 T CB -0.130 67.905 68.868 -1.387 0.000 0.866 970 T HN 0.379 nan 8.240 nan 0.000 0.428 971 F N 0.683 120.491 119.950 -0.236 0.000 2.668 971 F HA 0.372 4.902 4.527 0.004 0.000 0.297 971 F C 0.727 176.529 175.800 0.005 0.000 1.124 971 F CA -0.628 57.308 58.000 -0.107 0.000 1.353 971 F CB -0.688 38.229 39.000 -0.138 0.000 0.992 971 F HN 0.213 nan 8.300 nan 0.000 0.524 972 H N 0.266 119.341 119.070 0.009 0.000 2.684 972 H HA -0.193 4.366 4.556 0.004 0.000 0.309 972 H C 0.692 176.020 175.328 -0.001 0.000 1.102 972 H CA 0.579 56.629 56.048 0.003 0.000 1.147 972 H CB -1.517 28.243 29.762 -0.005 0.000 1.391 972 H HN 0.357 nan 8.280 nan 0.000 0.398 973 I N 2.203 122.816 120.570 0.072 0.000 2.880 973 I HA -0.116 4.056 4.170 0.004 0.000 0.296 973 I C 1.021 177.053 176.117 -0.141 0.000 1.220 973 I CA 0.712 62.006 61.300 -0.010 0.000 1.435 973 I CB 0.346 38.337 38.000 -0.015 0.000 1.339 973 I HN 0.137 nan 8.210 nan 0.000 0.583 974 D N 4.546 124.862 120.400 -0.141 0.000 2.256 974 D HA 0.176 4.818 4.640 0.004 0.000 0.246 974 D C 0.200 176.376 176.300 -0.207 0.000 1.042 974 D CA -0.631 53.261 54.000 -0.181 0.000 0.841 974 D CB 0.902 41.683 40.800 -0.031 0.000 1.223 974 D HN 0.509 nan 8.370 nan 0.000 0.470 975 H N 0.714 119.815 119.070 0.053 0.000 2.566 975 H HA 0.066 4.625 4.556 0.004 0.000 0.280 975 H C 0.814 176.158 175.328 0.025 0.000 1.042 975 H CA 0.568 56.640 56.048 0.040 0.000 1.168 975 H CB -0.084 29.704 29.762 0.044 0.000 1.340 975 H HN 0.552 nan 8.280 nan 0.000 0.597 976 T N -1.727 112.882 114.554 0.091 0.000 3.046 976 T HA 0.096 4.449 4.350 0.004 0.000 0.242 976 T C 0.923 175.642 174.700 0.032 0.000 1.018 976 T CA -0.021 62.115 62.100 0.060 0.000 1.131 976 T CB 0.733 69.631 68.868 0.049 0.000 0.904 976 T HN 0.075 nan 8.240 nan 0.000 0.459 977 K N 2.537 122.948 120.400 0.017 0.000 2.185 977 K HA 0.492 4.815 4.320 0.004 0.000 0.269 977 K C -2.778 173.821 176.600 -0.001 0.000 0.987 977 K CA -2.118 54.172 56.287 0.006 0.000 0.865 977 K CB 1.183 33.684 32.500 0.001 0.000 1.090 977 K HN 0.076 nan 8.250 nan 0.000 0.450 978 P HA -0.125 nan 4.420 nan 0.000 0.269 978 P C -0.183 177.106 177.300 -0.018 0.000 1.205 978 P CA 0.090 63.183 63.100 -0.012 0.000 0.780 978 P CB 0.541 32.233 31.700 -0.014 0.000 0.858 979 S N 0.853 116.537 115.700 -0.026 0.000 2.669 979 S HA 0.229 4.701 4.470 0.004 0.000 0.270 979 S C 0.166 174.744 174.600 -0.037 0.000 1.225 979 S CA -0.465 57.715 58.200 -0.033 0.000 0.991 979 S CB 0.245 63.417 63.200 -0.047 0.000 0.987 979 S HN 0.499 nan 8.310 nan 0.000 0.552 980 D N 1.771 122.148 120.400 -0.039 0.000 2.696 980 D HA 0.249 4.892 4.640 0.004 0.000 0.269 980 D C -0.187 176.088 176.300 -0.042 0.000 1.319 980 D CA -0.183 53.795 54.000 -0.035 0.000 0.826 980 D CB -0.448 40.336 40.800 -0.027 0.000 1.086 980 D HN 0.297 nan 8.370 nan 0.000 0.481 981 L N 0.455 121.639 121.223 -0.065 0.000 2.375 981 L HA 0.428 4.770 4.340 0.004 0.000 0.268 981 L C 0.563 177.380 176.870 -0.087 0.000 1.058 981 L CA -0.274 54.512 54.840 -0.090 0.000 0.803 981 L CB 1.744 43.698 42.059 -0.174 0.000 1.212 981 L HN -0.155 nan 8.230 nan 0.000 0.451 982 T N 0.824 115.330 114.554 -0.080 0.000 2.944 982 T HA 0.383 4.735 4.350 0.004 0.000 0.284 982 T C 1.364 176.005 174.700 -0.099 0.000 1.010 982 T CA -0.557 61.500 62.100 -0.072 0.000 1.025 982 T CB 1.443 70.285 68.868 -0.043 0.000 1.079 982 T HN 0.368 nan 8.240 nan 0.000 0.516 983 I N 0.391 120.911 120.570 -0.084 0.000 2.546 983 I HA -0.071 4.101 4.170 0.004 0.000 0.255 983 I C 2.503 178.581 176.117 -0.065 0.000 1.163 983 I CA 1.105 62.352 61.300 -0.089 0.000 1.457 983 I CB -0.223 37.736 38.000 -0.069 0.000 1.092 983 I HN 0.601 nan 8.210 nan 0.000 0.434 984 K N 0.621 120.995 120.400 -0.043 0.000 2.211 984 K HA -0.159 4.164 4.320 0.004 0.000 0.203 984 K C 1.474 178.069 176.600 -0.008 0.000 1.050 984 K CA 1.224 57.498 56.287 -0.021 0.000 0.945 984 K CB -0.070 32.422 32.500 -0.013 0.000 0.732 984 K HN 0.239 nan 8.250 nan 0.000 0.451 985 D N 0.852 121.237 120.400 -0.024 0.000 2.104 985 D HA -0.149 4.494 4.640 0.004 0.000 0.194 985 D C 1.771 178.099 176.300 0.047 0.000 0.994 985 D CA 1.183 55.189 54.000 0.009 0.000 0.830 985 D CB -0.058 40.722 40.800 -0.033 0.000 0.959 985 D HN 0.145 nan 8.370 nan 0.000 0.452 986 I N -0.215 120.300 120.570 -0.093 0.000 2.185 986 I HA -0.173 3.999 4.170 0.004 0.000 0.235 986 I C 2.428 178.582 176.117 0.062 0.000 1.069 986 I CA 0.397 61.618 61.300 -0.131 0.000 1.354 986 I CB -0.377 37.396 38.000 -0.378 0.000 1.093 986 I HN -0.149 nan 8.210 nan 0.000 0.411 987 V N 1.124 121.040 119.914 0.002 0.000 2.324 987 V HA -0.291 3.831 4.120 0.004 0.000 0.250 987 V C 2.286 178.406 176.094 0.043 0.000 1.060 987 V CA 1.844 64.159 62.300 0.024 0.000 1.042 987 V CB -0.509 31.315 31.823 0.003 0.000 0.650 987 V HN 0.377 nan 8.190 nan 0.000 0.450 988 L N -0.357 120.892 121.223 0.042 0.000 2.478 988 L HA 0.073 4.415 4.340 0.004 0.000 0.223 988 L C 2.225 179.134 176.870 0.065 0.000 1.140 988 L CA 0.836 55.701 54.840 0.041 0.000 0.842 988 L CB -0.501 41.575 42.059 0.029 0.000 0.953 988 L HN 0.456 nan 8.230 nan 0.000 0.452 989 G N -0.725 108.149 108.800 0.124 0.000 2.508 989 G HA2 -0.113 3.850 3.960 0.004 0.000 0.212 989 G HA3 -0.113 3.850 3.960 0.004 0.000 0.212 989 G C 1.479 176.436 174.900 0.095 0.000 1.206 989 G CA 0.545 45.738 45.100 0.156 0.000 0.822 989 G HN 0.070 nan 8.290 nan 0.000 0.550 990 V N 1.364 121.373 119.914 0.159 0.000 2.250 990 V HA -0.299 3.824 4.120 0.004 0.000 0.253 990 V C 2.678 178.779 176.094 0.012 0.000 1.065 990 V CA 2.570 64.915 62.300 0.074 0.000 1.039 990 V CB -0.606 31.280 31.823 0.105 0.000 0.647 990 V HN 0.400 nan 8.190 nan 0.000 0.446 991 K N -0.390 120.024 120.400 0.022 0.000 2.063 991 K HA -0.236 4.087 4.320 0.004 0.000 0.208 991 K C 1.792 178.385 176.600 -0.012 0.000 1.048 991 K CA 1.816 58.102 56.287 -0.001 0.000 0.928 991 K CB -0.268 32.235 32.500 0.006 0.000 0.713 991 K HN 0.421 nan 8.250 nan 0.000 0.442 992 D N 0.475 120.874 120.400 -0.003 0.000 2.378 992 D HA -0.078 4.564 4.640 0.004 0.000 0.227 992 D C 1.305 177.587 176.300 -0.029 0.000 1.012 992 D CA 0.345 54.338 54.000 -0.011 0.000 0.905 992 D CB 0.373 41.172 40.800 -0.000 0.000 0.895 992 D HN 0.142 nan 8.370 nan 0.000 0.532 993 L N 0.176 121.373 121.223 -0.043 0.000 2.357 993 L HA 0.087 4.430 4.340 0.004 0.000 0.211 993 L C 1.595 178.419 176.870 -0.075 0.000 1.075 993 L CA 0.903 55.703 54.840 -0.067 0.000 0.830 993 L CB 0.030 42.035 42.059 -0.089 0.000 0.996 993 L HN -0.169 nan 8.230 nan 0.000 0.467 994 Q N -0.076 119.682 119.800 -0.070 0.000 2.452 994 Q HA -0.028 4.315 4.340 0.004 0.000 0.214 994 Q C 0.302 176.268 176.000 -0.057 0.000 0.966 994 Q CA 0.295 56.053 55.803 -0.075 0.000 0.964 994 Q CB 0.153 28.849 28.738 -0.069 0.000 0.992 994 Q HN 0.459 nan 8.270 nan 0.000 0.517 995 E N -0.776 119.395 120.200 -0.048 0.000 2.676 995 E HA 0.090 4.443 4.350 0.004 0.000 0.225 995 E C 0.211 176.794 176.600 -0.028 0.000 0.944 995 E CA 0.098 56.479 56.400 -0.032 0.000 1.156 995 E CB 0.664 30.350 29.700 -0.023 0.000 1.117 995 E HN 0.218 nan 8.360 nan 0.000 0.523 996 N N -0.048 118.627 118.700 -0.041 0.000 2.181 996 N HA 0.167 4.909 4.740 0.004 0.000 0.207 996 N C 0.261 175.751 175.510 -0.033 0.000 1.182 996 N CA 0.119 53.152 53.050 -0.028 0.000 0.893 996 N CB 0.770 39.240 38.487 -0.029 0.000 1.032 996 N HN 0.003 nan 8.380 nan 0.000 0.513 997 L N 1.623 122.791 121.223 -0.093 0.000 2.536 997 L HA 0.305 4.648 4.340 0.004 0.000 0.242 997 L C -0.669 176.195 176.870 -0.010 0.000 1.280 997 L CA -0.375 54.346 54.840 -0.198 0.000 1.221 997 L CB -0.427 41.287 42.059 -0.575 0.000 1.449 997 L HN -0.077 nan 8.230 nan 0.000 0.405 998 L N 0.322 121.603 121.223 0.096 0.000 2.417 998 L HA 0.193 4.535 4.340 0.004 0.000 0.268 998 L C 0.913 177.896 176.870 0.189 0.000 1.158 998 L CA 0.375 55.284 54.840 0.116 0.000 0.819 998 L CB 1.087 43.188 42.059 0.071 0.000 1.112 998 L HN 0.073 nan 8.230 nan 0.000 0.458 999 V N 0.795 120.791 119.914 0.136 0.000 3.668 999 V HA 0.230 4.353 4.120 0.004 0.000 0.199 999 V C 0.547 176.679 176.094 0.062 0.000 1.241 999 V CA -0.214 62.144 62.300 0.096 0.000 1.308 999 V CB 0.056 31.942 31.823 0.104 0.000 1.411 999 V HN 0.436 nan 8.190 nan 0.000 0.535 1000 L N 0.609 121.870 121.223 0.065 0.000 2.475 1000 L HA 0.350 4.692 4.340 0.004 0.000 0.253 1000 L C 0.971 177.872 176.870 0.053 0.000 1.198 1000 L CA 0.431 55.307 54.840 0.059 0.000 0.814 1000 L CB 0.304 42.398 42.059 0.058 0.000 1.134 1000 L HN 0.228 nan 8.230 nan 0.000 0.478 1001 R N -0.060 120.469 120.500 0.048 0.000 2.527 1001 R HA 0.159 4.501 4.340 0.004 0.000 0.402 1001 R C 0.274 176.594 176.300 0.033 0.000 0.933 1001 R CA -0.258 55.865 56.100 0.040 0.000 1.171 1001 R CB 1.005 31.330 30.300 0.041 0.000 1.612 1001 R HN 0.806 nan 8.270 nan 0.000 0.546 1002 G N 1.240 110.060 108.800 0.034 0.000 2.670 1002 G HA2 -0.197 3.765 3.960 0.004 0.000 0.233 1002 G HA3 -0.197 3.765 3.960 0.004 0.000 0.233 1002 G C 0.640 175.552 174.900 0.019 0.000 1.251 1002 G CA 0.061 45.178 45.100 0.028 0.000 0.849 1002 G HN 0.076 nan 8.290 nan 0.000 0.588 1003 K N 0.022 120.432 120.400 0.017 0.000 2.186 1003 K HA 0.002 4.325 4.320 0.004 0.000 0.202 1003 K C 1.349 177.954 176.600 0.008 0.000 1.052 1003 K CA 1.145 57.439 56.287 0.012 0.000 0.965 1003 K CB -0.072 32.434 32.500 0.011 0.000 0.746 1003 K HN 0.808 nan 8.250 nan 0.000 0.457 1004 N N -1.539 117.165 118.700 0.008 0.000 2.681 1004 N HA 0.057 4.800 4.740 0.004 0.000 0.311 1004 N C 0.859 176.369 175.510 -0.000 0.000 1.303 1004 N CA -0.540 52.513 53.050 0.004 0.000 0.926 1004 N CB 0.588 39.077 38.487 0.004 0.000 1.136 1004 N HN -0.044 nan 8.380 nan 0.000 0.592 1005 E N 0.292 120.489 120.200 -0.004 0.000 2.007 1005 E HA -0.151 4.202 4.350 0.004 0.000 0.194 1005 E C 1.596 178.187 176.600 -0.014 0.000 0.999 1005 E CA 1.588 57.981 56.400 -0.010 0.000 0.811 1005 E CB -0.439 29.253 29.700 -0.013 0.000 0.762 1005 E HN 0.643 nan 8.360 nan 0.000 0.450 1006 I N 0.601 121.161 120.570 -0.016 0.000 2.399 1006 I HA -0.254 3.918 4.170 0.004 0.000 0.254 1006 I C 1.727 177.831 176.117 -0.022 0.000 1.146 1006 I CA 0.609 61.894 61.300 -0.026 0.000 1.412 1006 I CB -0.169 37.814 38.000 -0.028 0.000 1.076 1006 I HN 0.335 nan 8.210 nan 0.000 0.432 1007 I N -0.399 120.168 120.570 -0.005 0.000 2.296 1007 I HA -0.169 4.004 4.170 0.004 0.000 0.242 1007 I C 2.314 178.434 176.117 0.005 0.000 1.087 1007 I CA 1.181 62.486 61.300 0.007 0.000 1.393 1007 I CB -1.441 36.572 38.000 0.022 0.000 1.093 1007 I HN 0.270 nan 8.210 nan 0.000 0.421 1008 Q N 0.636 120.437 119.800 0.002 0.000 2.437 1008 Q HA -0.102 4.240 4.340 0.004 0.000 0.210 1008 Q C 1.579 177.573 176.000 -0.010 0.000 0.972 1008 Q CA 0.639 56.442 55.803 -0.000 0.000 0.903 1008 Q CB -0.251 28.487 28.738 -0.001 0.000 0.967 1008 Q HN 0.475 nan 8.270 nan 0.000 0.486 1009 N N -0.621 118.069 118.700 -0.017 0.000 2.299 1009 N HA 0.068 4.811 4.740 0.004 0.000 0.187 1009 N C 0.850 176.341 175.510 -0.032 0.000 1.099 1009 N CA 0.475 53.508 53.050 -0.027 0.000 0.867 1009 N CB 0.588 39.056 38.487 -0.032 0.000 0.974 1009 N HN 0.127 nan 8.380 nan 0.000 0.477 1010 A N 0.072 122.876 122.820 -0.026 0.000 2.140 1010 A HA 0.009 4.332 4.320 0.004 0.000 0.209 1010 A C 1.993 179.577 177.584 -0.001 0.000 1.181 1010 A CA 0.437 52.459 52.037 -0.025 0.000 0.824 1010 A CB -0.100 18.879 19.000 -0.035 0.000 0.879 1010 A HN 0.281 nan 8.150 nan 0.000 0.480 1011 Q N 0.999 120.804 119.800 0.007 0.000 2.079 1011 Q HA -0.118 4.225 4.340 0.004 0.000 0.200 1011 Q C 1.894 177.905 176.000 0.017 0.000 0.974 1011 Q CA 2.033 57.849 55.803 0.023 0.000 0.840 1011 Q CB -0.491 28.262 28.738 0.024 0.000 0.898 1011 Q HN 0.583 nan 8.270 nan 0.000 0.430 1012 R N 0.392 120.889 120.500 -0.004 0.000 2.139 1012 R HA -0.157 4.186 4.340 0.004 0.000 0.243 1012 R C 1.534 177.824 176.300 -0.017 0.000 1.145 1012 R CA 1.468 57.557 56.100 -0.018 0.000 0.976 1012 R CB -0.339 29.938 30.300 -0.039 0.000 0.866 1012 R HN 0.501 nan 8.270 nan 0.000 0.449 1013 D N 0.540 120.933 120.400 -0.012 0.000 2.123 1013 D HA -0.068 4.575 4.640 0.004 0.000 0.200 1013 D C 1.788 178.100 176.300 0.021 0.000 0.976 1013 D CA 1.313 55.307 54.000 -0.010 0.000 0.831 1013 D CB -0.298 40.493 40.800 -0.016 0.000 0.974 1013 D HN 0.211 nan 8.370 nan 0.000 0.469 1014 A N 0.592 123.436 122.820 0.040 0.000 2.015 1014 A HA -0.079 4.244 4.320 0.004 0.000 0.219 1014 A C 2.289 179.943 177.584 0.117 0.000 1.163 1014 A CA 1.038 53.117 52.037 0.070 0.000 0.646 1014 A CB -0.310 18.735 19.000 0.075 0.000 0.806 1014 A HN 0.183 nan 8.150 nan 0.000 0.448 1015 V N -1.189 118.789 119.914 0.107 0.000 2.825 1015 V HA -0.109 4.014 4.120 0.004 0.000 0.246 1015 V C 2.419 178.583 176.094 0.118 0.000 1.068 1015 V CA 1.641 64.027 62.300 0.144 0.000 1.088 1015 V CB -1.257 30.609 31.823 0.072 0.000 0.733 1015 V HN 0.517 nan 8.190 nan 0.000 0.468 1016 T N 1.681 116.260 114.554 0.041 0.000 2.635 1016 T HA -0.327 4.026 4.350 0.004 0.000 0.265 1016 T C 1.863 176.586 174.700 0.038 0.000 1.058 1016 T CA 2.488 64.575 62.100 -0.021 0.000 1.162 1016 T CB -0.464 68.355 68.868 -0.080 0.000 0.859 1016 T HN 0.295 nan 8.240 nan 0.000 0.449 1017 L N 0.385 121.681 121.223 0.122 0.000 2.005 1017 L HA 0.131 4.473 4.340 0.004 0.000 0.207 1017 L C 2.075 179.063 176.870 0.198 0.000 1.072 1017 L CA 1.507 56.451 54.840 0.173 0.000 0.744 1017 L CB -1.371 40.789 42.059 0.168 0.000 0.895 1017 L HN 0.264 nan 8.230 nan 0.000 0.433 1018 F N 0.127 120.132 119.950 0.091 0.000 2.147 1018 F HA -0.317 4.213 4.527 0.004 0.000 0.301 1018 F C 2.499 178.322 175.800 0.038 0.000 1.084 1018 F CA 1.822 59.879 58.000 0.094 0.000 1.268 1018 F CB -0.873 38.211 39.000 0.141 0.000 1.009 1018 F HN 0.235 nan 8.300 nan 0.000 0.486 1019 C N -0.721 118.521 119.300 -0.098 0.000 2.440 1019 C HA -0.170 4.293 4.460 0.004 0.000 0.278 1019 C C 3.048 177.950 174.990 -0.146 0.000 1.295 1019 C CA 0.927 59.820 59.018 -0.208 0.000 1.738 1019 C CB -1.873 25.803 27.740 -0.106 0.000 1.987 1019 C HN 0.691 nan 8.230 nan 0.000 0.492 1020 C N 0.283 119.556 119.300 -0.046 0.000 2.413 1020 C HA -0.132 4.331 4.460 0.004 0.000 0.276 1020 C C 2.560 177.560 174.990 0.016 0.000 1.248 1020 C CA 1.008 60.038 59.018 0.019 0.000 1.742 1020 C CB -1.588 26.211 27.740 0.098 0.000 2.017 1020 C HN 0.647 nan 8.230 nan 0.000 0.481 1021 L N 0.269 121.478 121.223 -0.023 0.000 2.079 1021 L HA -0.115 4.228 4.340 0.004 0.000 0.210 1021 L C 2.200 179.012 176.870 -0.097 0.000 1.081 1021 L CA 1.742 56.565 54.840 -0.029 0.000 0.752 1021 L CB -0.712 41.323 42.059 -0.040 0.000 0.896 1021 L HN 0.199 nan 8.230 nan 0.000 0.433 1022 L N -0.519 120.562 121.223 -0.238 0.000 2.023 1022 L HA -0.109 4.234 4.340 0.004 0.000 0.205 1022 L C 2.696 179.527 176.870 -0.066 0.000 1.073 1022 L CA 1.654 56.357 54.840 -0.228 0.000 0.745 1022 L CB -0.507 41.335 42.059 -0.363 0.000 0.900 1022 L HN 0.189 nan 8.230 nan 0.000 0.435 1023 R N -1.493 118.987 120.500 -0.033 0.000 2.193 1023 R HA -0.124 4.218 4.340 0.004 0.000 0.229 1023 R C 2.458 178.830 176.300 0.119 0.000 1.110 1023 R CA 1.095 57.218 56.100 0.037 0.000 0.988 1023 R CB -0.536 29.791 30.300 0.045 0.000 0.871 1023 R HN 0.350 nan 8.270 nan 0.000 0.458 1024 S N 0.410 116.200 115.700 0.151 0.000 2.368 1024 S HA -0.070 4.403 4.470 0.004 0.000 0.224 1024 S C 1.796 176.511 174.600 0.192 0.000 1.029 1024 S CA 0.878 59.256 58.200 0.298 0.000 0.988 1024 S CB 0.156 63.494 63.200 0.231 0.000 0.838 1024 S HN 0.207 nan 8.310 nan 0.000 0.462 1025 R N 0.484 121.054 120.500 0.116 0.000 2.128 1025 R HA 0.303 4.645 4.340 0.004 0.000 0.211 1025 R C 1.150 177.530 176.300 0.134 0.000 1.067 1025 R CA 0.378 56.564 56.100 0.144 0.000 1.010 1025 R CB -0.811 29.576 30.300 0.145 0.000 0.922 1025 R HN 0.399 nan 8.270 nan 0.000 0.457 1026 L N 2.037 123.315 121.223 0.093 0.000 2.968 1026 L HA 0.334 4.676 4.340 0.004 0.000 0.235 1026 L C 0.391 177.286 176.870 0.043 0.000 1.323 1026 L CA -0.506 54.413 54.840 0.131 0.000 1.159 1026 L CB -0.059 42.092 42.059 0.153 0.000 1.523 1026 L HN -0.016 nan 8.230 nan 0.000 0.468 1027 A N -0.561 122.212 122.820 -0.079 0.000 2.256 1027 A HA 0.554 4.877 4.320 0.004 0.000 0.318 1027 A C 1.174 178.642 177.584 -0.192 0.000 1.103 1027 A CA -0.303 51.643 52.037 -0.151 0.000 0.860 1027 A CB 0.767 19.587 19.000 -0.301 0.000 1.182 1027 A HN 0.264 nan 8.150 nan 0.000 0.501 1028 T N 0.559 115.011 114.554 -0.170 0.000 2.612 1028 T HA -0.087 4.266 4.350 0.004 0.000 0.259 1028 T C 1.908 176.481 174.700 -0.212 0.000 1.065 1028 T CA 1.167 63.159 62.100 -0.179 0.000 1.167 1028 T CB -0.250 68.540 68.868 -0.130 0.000 0.863 1028 T HN 0.557 nan 8.240 nan 0.000 0.407 1029 R N 0.891 121.274 120.500 -0.196 0.000 2.261 1029 R HA -0.018 4.325 4.340 0.004 0.000 0.236 1029 R C 2.484 178.624 176.300 -0.265 0.000 1.141 1029 R CA 0.949 56.933 56.100 -0.194 0.000 1.001 1029 R CB -0.192 30.020 30.300 -0.146 0.000 0.866 1029 R HN 0.360 nan 8.270 nan 0.000 0.468 1030 R N -0.621 119.664 120.500 -0.357 0.000 2.048 1030 R HA -0.006 4.336 4.340 0.004 0.000 0.224 1030 R C 2.287 178.219 176.300 -0.612 0.000 1.163 1030 R CA 0.896 56.722 56.100 -0.457 0.000 0.956 1030 R CB -0.303 29.726 30.300 -0.453 0.000 0.849 1030 R HN -0.028 nan 8.270 nan 0.000 0.435 1031 V N 1.736 121.373 119.914 -0.462 0.000 2.324 1031 V HA -0.269 3.854 4.120 0.004 0.000 0.250 1031 V C 2.164 178.069 176.094 -0.315 0.000 1.060 1031 V CA 1.676 63.747 62.300 -0.382 0.000 1.042 1031 V CB -0.370 31.351 31.823 -0.170 0.000 0.650 1031 V HN 0.217 nan 8.190 nan 0.000 0.450 1032 L N -1.116 119.951 121.223 -0.260 0.000 2.102 1032 L HA -0.024 4.319 4.340 0.004 0.000 0.202 1032 L C 2.421 179.202 176.870 -0.148 0.000 1.076 1032 L CA 1.681 56.417 54.840 -0.172 0.000 0.761 1032 L CB -0.748 41.221 42.059 -0.151 0.000 0.921 1032 L HN 0.246 nan 8.230 nan 0.000 0.444 1033 Q N -0.692 118.999 119.800 -0.181 0.000 2.163 1033 Q HA -0.105 4.237 4.340 0.004 0.000 0.198 1033 Q C 1.963 177.887 176.000 -0.127 0.000 0.954 1033 Q CA 1.016 56.740 55.803 -0.130 0.000 0.851 1033 Q CB 0.322 28.985 28.738 -0.126 0.000 0.928 1033 Q HN 0.514 nan 8.270 nan 0.000 0.459 1034 E N -0.647 119.410 120.200 -0.238 0.000 2.075 1034 E HA -0.116 4.236 4.350 0.004 0.000 0.190 1034 E C 1.322 177.900 176.600 -0.035 0.000 0.969 1034 E CA 1.027 57.319 56.400 -0.180 0.000 0.815 1034 E CB 0.164 29.712 29.700 -0.253 0.000 0.776 1034 E HN 0.509 nan 8.360 nan 0.000 0.457 1035 Y N -0.959 119.378 120.300 0.061 0.000 2.444 1035 Y HA 0.378 4.931 4.550 0.004 0.000 0.249 1035 Y C -0.231 175.745 175.900 0.127 0.000 1.134 1035 Y CA -0.680 57.486 58.100 0.109 0.000 1.261 1035 Y CB 0.124 38.647 38.460 0.105 0.000 1.143 1035 Y HN -0.246 nan 8.280 nan 0.000 0.523 1036 R N 1.321 121.908 120.500 0.144 0.000 2.992 1036 R HA -0.176 4.167 4.340 0.004 0.000 0.263 1036 R C -0.832 175.535 176.300 0.112 0.000 0.902 1036 R CA 0.387 56.545 56.100 0.097 0.000 0.667 1036 R CB -2.261 28.085 30.300 0.078 0.000 1.504 1036 R HN 0.529 nan 8.270 nan 0.000 0.489 1037 L N 0.853 122.150 121.223 0.124 0.000 2.421 1037 L HA 0.409 4.751 4.340 0.004 0.000 0.263 1037 L C 1.499 178.403 176.870 0.057 0.000 1.122 1037 L CA -0.289 54.639 54.840 0.146 0.000 0.804 1037 L CB 1.552 43.769 42.059 0.263 0.000 1.150 1037 L HN 0.529 nan 8.230 nan 0.000 0.457 1038 T N -2.295 112.288 114.554 0.047 0.000 2.949 1038 T HA 0.237 4.589 4.350 0.004 0.000 0.287 1038 T C 0.657 175.376 174.700 0.032 0.000 1.034 1038 T CA -0.818 61.280 62.100 -0.003 0.000 1.018 1038 T CB 1.977 70.814 68.868 -0.052 0.000 1.135 1038 T HN 0.487 nan 8.240 nan 0.000 0.532 1039 K N 0.377 120.783 120.400 0.010 0.000 2.113 1039 K HA -0.217 4.106 4.320 0.004 0.000 0.208 1039 K C 2.227 178.859 176.600 0.053 0.000 1.047 1039 K CA 2.119 58.439 56.287 0.055 0.000 0.928 1039 K CB -0.520 31.991 32.500 0.018 0.000 0.716 1039 K HN 0.770 nan 8.250 nan 0.000 0.446 1040 Q N -0.703 119.063 119.800 -0.056 0.000 2.020 1040 Q HA -0.081 4.262 4.340 0.004 0.000 0.198 1040 Q C 1.919 177.786 176.000 -0.220 0.000 0.974 1040 Q CA 1.602 57.309 55.803 -0.159 0.000 0.829 1040 Q CB -0.315 28.252 28.738 -0.286 0.000 0.894 1040 Q HN 0.377 nan 8.270 nan 0.000 0.433 1041 A N 0.081 122.717 122.820 -0.308 0.000 1.969 1041 A HA -0.126 4.196 4.320 0.004 0.000 0.218 1041 A C 1.786 179.488 177.584 0.197 0.000 1.169 1041 A CA 0.922 52.838 52.037 -0.201 0.000 0.635 1041 A CB -0.763 18.157 19.000 -0.133 0.000 0.810 1041 A HN 0.613 nan 8.150 nan 0.000 0.445 1042 F N 1.009 120.982 119.950 0.039 0.000 2.259 1042 F HA -0.090 4.440 4.527 0.004 0.000 0.298 1042 F C 1.553 177.394 175.800 0.068 0.000 1.088 1042 F CA 1.680 59.722 58.000 0.070 0.000 1.358 1042 F CB -0.032 38.990 39.000 0.037 0.000 1.040 1042 F HN 0.201 nan 8.300 nan 0.000 0.505 1043 D N -0.733 119.682 120.400 0.024 0.000 2.183 1043 D HA -0.198 4.445 4.640 0.004 0.000 0.203 1043 D C 1.790 178.086 176.300 -0.007 0.000 0.969 1043 D CA 1.092 55.059 54.000 -0.055 0.000 0.842 1043 D CB -0.696 40.128 40.800 0.040 0.000 0.957 1043 D HN 0.518 nan 8.370 nan 0.000 0.484 1044 W N 1.428 122.670 121.300 -0.097 0.000 2.381 1044 W HA -0.158 4.504 4.660 0.004 0.000 0.301 1044 W C 1.966 178.475 176.519 -0.018 0.000 1.205 1044 W CA 0.940 58.275 57.345 -0.016 0.000 1.285 1044 W CB -0.352 29.152 29.460 0.074 0.000 1.133 1044 W HN -0.258 nan 8.180 nan 0.000 0.521 1045 V N 1.309 121.188 119.914 -0.058 0.000 2.343 1045 V HA -0.321 3.801 4.120 0.004 0.000 0.247 1045 V C 2.333 178.242 176.094 -0.309 0.000 1.051 1045 V CA 2.058 64.202 62.300 -0.259 0.000 1.036 1045 V CB -0.986 30.791 31.823 -0.076 0.000 0.654 1045 V HN 0.218 nan 8.190 nan 0.000 0.451 1046 L N -0.521 120.501 121.223 -0.334 0.000 2.046 1046 L HA -0.149 4.194 4.340 0.004 0.000 0.208 1046 L C 2.669 179.414 176.870 -0.208 0.000 1.077 1046 L CA 1.751 56.410 54.840 -0.301 0.000 0.747 1046 L CB -0.705 41.126 42.059 -0.381 0.000 0.896 1046 L HN 0.285 nan 8.230 nan 0.000 0.432 1047 S N -0.177 115.404 115.700 -0.198 0.000 2.382 1047 S HA -0.166 4.307 4.470 0.004 0.000 0.228 1047 S C 1.669 176.155 174.600 -0.191 0.000 1.027 1047 S CA 1.698 59.809 58.200 -0.148 0.000 0.991 1047 S CB -0.298 62.849 63.200 -0.089 0.000 0.823 1047 S HN 0.482 nan 8.310 nan 0.000 0.469 1048 N N 0.616 119.115 118.700 -0.335 0.000 2.092 1048 N HA 0.078 4.820 4.740 0.004 0.000 0.189 1048 N C 1.751 177.166 175.510 -0.160 0.000 1.040 1048 N CA 1.467 54.318 53.050 -0.330 0.000 0.845 1048 N CB -0.202 37.934 38.487 -0.584 0.000 1.017 1048 N HN 0.289 nan 8.380 nan 0.000 0.426 1049 I N 1.394 121.881 120.570 -0.137 0.000 2.194 1049 I HA -0.313 3.860 4.170 0.004 0.000 0.246 1049 I C 2.545 178.707 176.117 0.076 0.000 1.093 1049 I CA 1.302 62.602 61.300 -0.001 0.000 1.355 1049 I CB -0.309 37.691 38.000 -0.001 0.000 1.046 1049 I HN 0.337 nan 8.210 nan 0.000 0.413 1050 E N 1.107 121.315 120.200 0.014 0.000 2.023 1050 E HA -0.271 4.081 4.350 0.004 0.000 0.196 1050 E C 2.286 178.942 176.600 0.094 0.000 1.003 1050 E CA 1.521 57.949 56.400 0.048 0.000 0.809 1050 E CB -0.058 29.641 29.700 -0.002 0.000 0.755 1050 E HN 0.475 nan 8.360 nan 0.000 0.449 1051 A N 1.037 123.877 122.820 0.033 0.000 1.859 1051 A HA -0.296 4.027 4.320 0.004 0.000 0.217 1051 A C 2.128 179.739 177.584 0.046 0.000 1.198 1051 A CA 2.047 54.102 52.037 0.030 0.000 0.629 1051 A CB -0.870 18.127 19.000 -0.004 0.000 0.830 1051 A HN 0.420 nan 8.150 nan 0.000 0.446 1052 Q N -2.274 117.553 119.800 0.044 0.000 2.437 1052 Q HA -0.089 4.253 4.340 0.004 0.000 0.210 1052 Q C 1.565 177.599 176.000 0.056 0.000 0.972 1052 Q CA 1.071 56.905 55.803 0.052 0.000 0.903 1052 Q CB -0.167 28.598 28.738 0.044 0.000 0.967 1052 Q HN 0.762 nan 8.270 nan 0.000 0.486 1053 F N -0.535 119.370 119.950 -0.074 0.000 2.387 1053 F HA 0.013 4.543 4.527 0.005 0.000 0.294 1053 F C 1.309 177.011 175.800 -0.162 0.000 1.093 1053 F CA 0.555 58.453 58.000 -0.170 0.000 1.420 1053 F CB 0.242 39.122 39.000 -0.200 0.000 1.086 1053 F HN -0.010 nan 8.300 nan 0.000 0.531 1054 L N 0.211 121.467 121.223 0.055 0.000 2.109 1054 L HA -0.099 4.244 4.340 0.004 0.000 0.207 1054 L C 2.364 179.132 176.870 -0.171 0.000 1.086 1054 L CA 1.075 55.894 54.840 -0.034 0.000 0.760 1054 L CB -0.588 41.497 42.059 0.044 0.000 0.910 1054 L HN -0.021 nan 8.230 nan 0.000 0.437 1055 R N -0.752 119.667 120.500 -0.135 0.000 2.280 1055 R HA -0.013 4.329 4.340 0.004 0.000 0.207 1055 R C 2.174 178.201 176.300 -0.455 0.000 1.043 1055 R CA 0.767 56.767 56.100 -0.167 0.000 1.006 1055 R CB -0.178 30.117 30.300 -0.009 0.000 0.885 1055 R HN 0.240 nan 8.270 nan 0.000 0.467 1056 S N 0.422 115.829 115.700 -0.487 0.000 2.496 1056 S HA 0.039 4.512 4.470 0.004 0.000 0.224 1056 S C 0.840 175.032 174.600 -0.680 0.000 0.996 1056 S CA 0.049 57.852 58.200 -0.661 0.000 0.927 1056 S CB 0.260 63.178 63.200 -0.471 0.000 0.774 1056 S HN -0.028 nan 8.310 nan 0.000 0.524 1057 V N 2.238 121.779 119.914 -0.620 0.000 2.872 1057 V HA 0.103 4.226 4.120 0.004 0.000 0.307 1057 V C 0.724 176.513 176.094 -0.508 0.000 1.072 1057 V CA -0.342 61.660 62.300 -0.497 0.000 1.148 1057 V CB 0.774 32.370 31.823 -0.378 0.000 0.954 1057 V HN 0.137 nan 8.190 nan 0.000 0.490 1058 V N 4.504 124.222 119.914 -0.326 0.000 2.811 1058 V HA 0.159 4.282 4.120 0.004 0.000 0.302 1058 V C 0.267 176.163 176.094 -0.329 0.000 1.063 1058 V CA -0.275 61.861 62.300 -0.273 0.000 1.088 1058 V CB 0.734 32.510 31.823 -0.078 0.000 0.982 1058 V HN 0.847 nan 8.190 nan 0.000 0.485 1059 H N 5.861 124.856 119.070 -0.125 0.000 2.562 1059 H HA 0.324 4.882 4.556 0.005 0.000 0.314 1059 H C -2.308 172.906 175.328 -0.191 0.000 1.079 1059 H CA -2.061 53.909 56.048 -0.129 0.000 1.349 1059 H CB 1.217 30.921 29.762 -0.098 0.000 1.432 1059 H HN 0.504 nan 8.280 nan 0.000 0.479 1060 P HA 0.035 nan 4.420 nan 0.000 0.262 1060 P C 0.965 178.020 177.300 -0.409 0.000 1.199 1060 P CA 0.976 63.826 63.100 -0.416 0.000 0.763 1060 P CB 0.623 31.780 31.700 -0.906 0.000 0.790 1061 G N 2.371 110.996 108.800 -0.292 0.000 2.699 1061 G HA2 -0.160 3.803 3.960 0.004 0.000 0.198 1061 G HA3 -0.160 3.803 3.960 0.004 0.000 0.198 1061 G C -0.005 174.815 174.900 -0.133 0.000 1.033 1061 G CA -0.542 44.449 45.100 -0.181 0.000 0.728 1061 G HN 0.481 nan 8.290 nan 0.000 0.484 1062 E N 1.941 122.064 120.200 -0.128 0.000 2.820 1062 E HA 0.052 4.405 4.350 0.004 0.000 0.251 1062 E C 0.511 177.018 176.600 -0.155 0.000 0.944 1062 E CA 0.510 56.831 56.400 -0.132 0.000 0.955 1062 E CB 0.198 29.797 29.700 -0.169 0.000 0.904 1062 E HN 0.258 nan 8.360 nan 0.000 0.513 1063 M N 4.503 124.034 119.600 -0.116 0.000 3.586 1063 M HA 0.022 4.505 4.480 0.004 0.000 0.225 1063 M C 1.134 177.369 176.300 -0.107 0.000 1.428 1063 M CA -0.187 55.052 55.300 -0.101 0.000 1.613 1063 M CB -0.554 32.002 32.600 -0.073 0.000 1.063 1063 M HN 0.212 nan 8.290 nan 0.000 0.593 1064 V N 0.878 120.692 119.914 -0.166 0.000 2.392 1064 V HA -0.232 3.890 4.120 0.004 0.000 0.249 1064 V C 2.400 178.465 176.094 -0.048 0.000 1.059 1064 V CA 2.304 64.510 62.300 -0.157 0.000 1.051 1064 V CB -1.361 30.257 31.823 -0.340 0.000 0.658 1064 V HN 0.793 nan 8.190 nan 0.000 0.455 1065 G N 0.548 109.313 108.800 -0.059 0.000 2.672 1065 G HA2 -0.289 3.674 3.960 0.004 0.000 0.218 1065 G HA3 -0.289 3.674 3.960 0.004 0.000 0.218 1065 G C 1.642 176.507 174.900 -0.059 0.000 1.238 1065 G CA 1.697 46.764 45.100 -0.054 0.000 0.791 1065 G HN 0.382 nan 8.290 nan 0.000 0.606 1066 V N 0.936 120.812 119.914 -0.063 0.000 2.287 1066 V HA -0.163 3.960 4.120 0.004 0.000 0.248 1066 V C 2.716 178.775 176.094 -0.059 0.000 1.053 1066 V CA 1.693 63.954 62.300 -0.065 0.000 1.027 1066 V CB -0.700 31.089 31.823 -0.056 0.000 0.646 1066 V HN 0.341 nan 8.190 nan 0.000 0.447 1067 L N 1.150 122.347 121.223 -0.043 0.000 2.012 1067 L HA -0.130 4.213 4.340 0.004 0.000 0.210 1067 L C 2.472 179.305 176.870 -0.062 0.000 1.073 1067 L CA 2.630 57.447 54.840 -0.038 0.000 0.748 1067 L CB -1.505 40.557 42.059 0.005 0.000 0.891 1067 L HN 0.273 nan 8.230 nan 0.000 0.431 1068 A N -0.725 122.131 122.820 0.059 0.000 1.930 1068 A HA -0.027 4.296 4.320 0.004 0.000 0.217 1068 A C 2.428 179.990 177.584 -0.038 0.000 1.175 1068 A CA 1.773 53.888 52.037 0.130 0.000 0.627 1068 A CB -0.950 18.174 19.000 0.207 0.000 0.815 1068 A HN 0.589 nan 8.150 nan 0.000 0.443 1069 A N -0.315 122.466 122.820 -0.065 0.000 1.835 1069 A HA -0.239 4.083 4.320 0.004 0.000 0.215 1069 A C 2.100 179.617 177.584 -0.112 0.000 1.199 1069 A CA 1.711 53.689 52.037 -0.098 0.000 0.615 1069 A CB -0.876 18.055 19.000 -0.115 0.000 0.838 1069 A HN 0.610 nan 8.150 nan 0.000 0.444 1070 Q N -0.072 119.661 119.800 -0.112 0.000 2.096 1070 Q HA -0.192 4.151 4.340 0.004 0.000 0.208 1070 Q C 2.313 178.233 176.000 -0.134 0.000 0.993 1070 Q CA 1.961 57.697 55.803 -0.112 0.000 0.862 1070 Q CB -0.425 28.262 28.738 -0.085 0.000 0.915 1070 Q HN 0.634 nan 8.270 nan 0.000 0.416 1071 S N 0.251 115.832 115.700 -0.198 0.000 2.465 1071 S HA -0.096 4.376 4.470 0.004 0.000 0.241 1071 S C 1.732 176.239 174.600 -0.156 0.000 1.000 1071 S CA 0.870 58.917 58.200 -0.254 0.000 0.964 1071 S CB -0.072 62.734 63.200 -0.657 0.000 0.763 1071 S HN 0.309 nan 8.310 nan 0.000 0.512 1072 I N 0.005 120.504 120.570 -0.118 0.000 3.172 1072 I HA 0.105 4.278 4.170 0.004 0.000 0.278 1072 I C 2.401 178.467 176.117 -0.085 0.000 1.174 1072 I CA 0.523 61.774 61.300 -0.082 0.000 1.445 1072 I CB -0.314 37.647 38.000 -0.064 0.000 1.175 1072 I HN 0.326 nan 8.210 nan 0.000 0.447 1073 G N 0.195 108.937 108.800 -0.096 0.000 2.650 1073 G HA2 -0.143 3.820 3.960 0.004 0.000 0.214 1073 G HA3 -0.143 3.820 3.960 0.004 0.000 0.214 1073 G C 1.456 176.295 174.900 -0.102 0.000 1.136 1073 G CA 0.130 45.174 45.100 -0.092 0.000 0.789 1073 G HN 0.183 nan 8.290 nan 0.000 0.536 1074 E N 1.122 121.250 120.200 -0.120 0.000 2.051 1074 E HA -0.018 4.335 4.350 0.004 0.000 0.189 1074 E C -0.282 176.253 176.600 -0.108 0.000 0.979 1074 E CA 0.873 57.181 56.400 -0.154 0.000 0.803 1074 E CB -0.232 29.347 29.700 -0.202 0.000 0.761 1074 E HN 0.326 nan 8.360 nan 0.000 0.451 1075 P HA 0.119 nan 4.420 nan 0.000 0.230 1075 P C 0.869 178.137 177.300 -0.054 0.000 1.168 1075 P CA 1.188 64.255 63.100 -0.055 0.000 0.793 1075 P CB 0.026 31.698 31.700 -0.046 0.000 0.851 1076 A N -0.596 122.188 122.820 -0.060 0.000 2.067 1076 A HA -0.116 4.207 4.320 0.004 0.000 0.219 1076 A C 2.138 179.695 177.584 -0.045 0.000 1.158 1076 A CA 1.906 53.912 52.037 -0.052 0.000 0.661 1076 A CB -1.790 17.177 19.000 -0.054 0.000 0.801 1076 A HN 0.126 nan 8.150 nan 0.000 0.452 1077 T N -0.457 114.064 114.554 -0.054 0.000 2.985 1077 T HA -0.047 4.306 4.350 0.004 0.000 0.266 1077 T C 1.863 176.538 174.700 -0.042 0.000 1.076 1077 T CA 0.996 63.066 62.100 -0.049 0.000 1.135 1077 T CB -0.105 68.723 68.868 -0.067 0.000 0.890 1077 T HN 0.425 nan 8.240 nan 0.000 0.480 1078 Q N 0.304 120.078 119.800 -0.043 0.000 2.435 1078 Q HA 0.207 4.549 4.340 0.004 0.000 0.207 1078 Q C 0.596 176.580 176.000 -0.027 0.000 0.956 1078 Q CA 0.282 56.066 55.803 -0.033 0.000 0.917 1078 Q CB -0.130 28.590 28.738 -0.030 0.000 0.997 1078 Q HN 0.556 nan 8.270 nan 0.000 0.497 1079 M N 1.693 121.275 119.600 -0.030 0.000 2.238 1079 M HA 0.042 4.524 4.480 0.004 0.000 0.350 1079 M C -0.018 176.267 176.300 -0.025 0.000 1.321 1079 M CA 0.373 55.656 55.300 -0.030 0.000 1.097 1079 M CB 0.531 33.109 32.600 -0.036 0.000 1.713 1079 M HN -0.147 nan 8.290 nan 0.000 0.455 1080 T N 4.163 118.702 114.554 -0.024 0.000 2.779 1080 T HA 0.230 4.583 4.350 0.004 0.000 0.296 1080 T C 0.103 174.783 174.700 -0.033 0.000 0.938 1080 T CA -0.746 61.341 62.100 -0.022 0.000 1.119 1080 T CB 0.419 69.279 68.868 -0.013 0.000 0.891 1080 T HN 0.352 nan 8.240 nan 0.000 0.526 1081 L N 4.931 126.144 121.223 -0.017 0.000 2.461 1081 L HA 0.135 4.478 4.340 0.004 0.000 0.272 1081 L C 0.979 177.850 176.870 0.002 0.000 1.197 1081 L CA 0.230 55.066 54.840 -0.006 0.000 0.836 1081 L CB -0.514 41.553 42.059 0.013 0.000 1.105 1081 L HN 0.960 nan 8.230 nan 0.000 0.477 1082 N N 1.999 120.714 118.700 0.025 0.000 2.780 1082 N HA -0.261 4.482 4.740 0.004 0.000 0.296 1082 N C 0.166 175.751 175.510 0.126 0.000 1.074 1082 N CA 0.724 53.861 53.050 0.144 0.000 0.806 1082 N CB -0.944 37.696 38.487 0.254 0.000 0.966 1082 N HN 0.745 nan 8.380 nan 0.000 0.585 1083 T N -0.632 113.884 114.554 -0.063 0.000 2.904 1083 T HA 0.106 4.458 4.350 0.004 0.000 0.243 1083 T C 0.360 175.009 174.700 -0.085 0.000 1.024 1083 T CA 0.158 62.176 62.100 -0.137 0.000 1.158 1083 T CB -0.155 68.503 68.868 -0.350 0.000 0.867 1083 T HN 0.502 nan 8.240 nan 0.000 0.429 1084 F N 2.629 122.328 119.950 -0.419 0.000 2.160 1084 F HA -0.166 4.364 4.527 0.004 0.000 0.416 1084 F C 0.617 176.168 175.800 -0.414 0.000 1.174 1084 F CA -0.272 57.537 58.000 -0.318 0.000 1.373 1084 F CB -1.385 37.550 39.000 -0.108 0.000 2.115 1084 F HN 0.425 nan 8.300 nan 0.000 0.747 1085 H N 3.302 122.236 119.070 -0.226 0.000 2.538 1085 H HA 0.225 4.784 4.556 0.004 0.000 0.286 1085 H C 1.164 176.184 175.328 -0.513 0.000 1.035 1085 H CA 0.482 56.295 56.048 -0.392 0.000 1.169 1085 H CB -0.100 29.330 29.762 -0.553 0.000 1.417 1085 H HN 0.663 nan 8.280 nan 0.000 0.567 1086 F N -0.280 119.787 119.950 0.194 0.000 2.817 1086 F HA 0.367 4.896 4.527 0.004 0.000 0.333 1086 F C 1.324 177.208 175.800 0.139 0.000 1.085 1086 F CA -0.525 57.572 58.000 0.162 0.000 1.170 1086 F CB 0.747 39.845 39.000 0.162 0.000 1.066 1086 F HN -0.025 nan 8.300 nan 0.000 0.564 1087 A N 0.900 123.885 122.820 0.275 0.000 2.491 1087 A HA 0.472 4.794 4.320 0.004 0.000 0.261 1087 A C 1.227 178.870 177.584 0.098 0.000 1.101 1087 A CA 1.152 53.264 52.037 0.126 0.000 0.772 1087 A CB -0.644 18.376 19.000 0.033 0.000 1.043 1087 A HN 0.789 nan 8.150 nan 0.000 0.501 1088 G N 1.076 109.923 108.800 0.079 0.000 2.697 1088 G HA2 -0.169 3.793 3.960 0.004 0.000 0.200 1088 G HA3 -0.169 3.793 3.960 0.004 0.000 0.200 1088 G C 0.184 175.136 174.900 0.086 0.000 1.106 1088 G CA 0.004 45.147 45.100 0.071 0.000 0.748 1088 G HN 1.404 nan 8.290 nan 0.000 0.503 1089 V N 3.317 123.306 119.914 0.124 0.000 2.154 1089 V HA 0.702 4.825 4.120 0.004 0.000 0.265 1089 V C 1.188 177.348 176.094 0.111 0.000 1.293 1089 V CA -0.025 62.347 62.300 0.119 0.000 1.205 1089 V CB -0.080 31.834 31.823 0.151 0.000 1.306 1089 V HN 1.033 nan 8.190 nan 0.000 0.479 1090 A N 3.059 125.926 122.820 0.080 0.000 2.407 1090 A HA 0.429 4.752 4.320 0.004 0.000 0.257 1090 A C 1.531 179.145 177.584 0.051 0.000 1.131 1090 A CA 0.577 52.651 52.037 0.062 0.000 0.803 1090 A CB -0.107 18.917 19.000 0.040 0.000 1.083 1090 A HN 1.990 nan 8.150 nan 0.000 0.512 1091 S N -2.458 113.265 115.700 0.039 0.000 3.011 1091 S HA -0.236 4.236 4.470 0.004 0.000 0.278 1091 S C 0.269 174.879 174.600 0.018 0.000 1.300 1091 S CA 1.934 60.150 58.200 0.028 0.000 1.248 1091 S CB -1.379 61.837 63.200 0.026 0.000 1.517 1091 S HN 1.308 nan 8.310 nan 0.000 0.685 1092 K N 1.293 121.702 120.400 0.015 0.000 3.320 1092 K HA 0.459 4.782 4.320 0.004 0.000 0.194 1092 K C -0.636 175.917 176.600 -0.079 0.000 1.085 1092 K CA -0.177 56.084 56.287 -0.042 0.000 0.901 1092 K CB 0.583 33.048 32.500 -0.059 0.000 0.765 1092 K HN 0.558 nan 8.250 nan 0.000 0.480 1093 K N 0.130 120.547 120.400 0.029 0.000 2.118 1093 K HA 0.572 4.895 4.320 0.004 0.000 0.267 1093 K C -0.675 175.999 176.600 0.124 0.000 0.991 1093 K CA -0.868 55.510 56.287 0.153 0.000 0.916 1093 K CB 1.873 34.506 32.500 0.221 0.000 1.041 1093 K HN -0.116 nan 8.250 nan 0.000 0.455 1094 V N 1.345 121.400 119.914 0.235 0.000 2.841 1094 V HA 0.227 4.350 4.120 0.004 0.000 0.310 1094 V C -0.419 175.794 176.094 0.198 0.000 1.090 1094 V CA -1.147 61.260 62.300 0.178 0.000 0.930 1094 V CB 2.164 34.032 31.823 0.075 0.000 1.014 1094 V HN 0.836 nan 8.190 nan 0.000 0.425 1095 T N 3.103 117.726 114.554 0.114 0.000 2.916 1095 T HA 0.444 4.796 4.350 0.004 0.000 0.303 1095 T C 0.297 174.912 174.700 -0.142 0.000 1.025 1095 T CA -0.143 61.937 62.100 -0.034 0.000 1.142 1095 T CB 0.613 69.511 68.868 0.051 0.000 0.947 1095 T HN 0.984 nan 8.240 nan 0.000 0.544 1096 S N 1.458 116.930 115.700 -0.379 0.000 2.704 1096 S HA 0.898 5.371 4.470 0.004 0.000 0.296 1096 S C 0.700 175.155 174.600 -0.242 0.000 1.138 1096 S CA -0.377 57.661 58.200 -0.270 0.000 0.875 1096 S CB 1.418 64.426 63.200 -0.321 0.000 1.151 1096 S HN 1.376 nan 8.310 nan 0.000 0.500 1097 G N 0.460 109.168 108.800 -0.154 0.000 2.614 1097 G HA2 -0.288 3.675 3.960 0.004 0.000 0.303 1097 G HA3 -0.288 3.675 3.960 0.004 0.000 0.303 1097 G C 0.813 175.667 174.900 -0.076 0.000 1.270 1097 G CA 0.530 45.563 45.100 -0.112 0.000 0.988 1097 G HN 1.498 nan 8.290 nan 0.000 0.551 1098 V N 3.462 123.343 119.914 -0.055 0.000 2.237 1098 V HA -0.117 4.006 4.120 0.004 0.000 0.245 1098 V C 0.738 176.832 176.094 -0.000 0.000 1.046 1098 V CA 3.147 65.434 62.300 -0.021 0.000 1.007 1098 V CB -1.568 30.252 31.823 -0.005 0.000 0.638 1098 V HN 0.717 nan 8.190 nan 0.000 0.445 1099 P HA -0.210 nan 4.420 nan 0.000 0.219 1099 P C 1.522 178.847 177.300 0.041 0.000 1.146 1099 P CA 1.533 64.658 63.100 0.043 0.000 0.808 1099 P CB -0.062 31.680 31.700 0.070 0.000 0.779 1100 R N 0.329 120.834 120.500 0.009 0.000 2.092 1100 R HA -0.093 4.250 4.340 0.004 0.000 0.231 1100 R C 2.263 178.585 176.300 0.037 0.000 1.119 1100 R CA 1.082 57.196 56.100 0.023 0.000 0.970 1100 R CB -1.738 28.556 30.300 -0.010 0.000 0.864 1100 R HN 0.130 nan 8.270 nan 0.000 0.440 1101 L N 0.902 122.133 121.223 0.014 0.000 2.044 1101 L HA 0.008 4.351 4.340 0.004 0.000 0.205 1101 L C 2.120 179.010 176.870 0.034 0.000 1.075 1101 L CA 1.944 56.789 54.840 0.009 0.000 0.747 1101 L CB -0.683 41.367 42.059 -0.015 0.000 0.903 1101 L HN 0.225 nan 8.230 nan 0.000 0.435 1102 K N -0.535 119.891 120.400 0.044 0.000 2.218 1102 K HA -0.281 4.041 4.320 0.004 0.000 0.205 1102 K C 2.013 178.668 176.600 0.091 0.000 1.046 1102 K CA 1.910 58.238 56.287 0.068 0.000 0.933 1102 K CB -0.037 32.511 32.500 0.080 0.000 0.728 1102 K HN 0.535 nan 8.250 nan 0.000 0.454 1103 E N 0.350 120.608 120.200 0.096 0.000 2.015 1103 E HA -0.138 4.214 4.350 0.004 0.000 0.191 1103 E C 1.952 178.657 176.600 0.176 0.000 0.991 1103 E CA 1.490 57.966 56.400 0.126 0.000 0.802 1103 E CB -0.014 29.761 29.700 0.125 0.000 0.759 1103 E HN 0.309 nan 8.360 nan 0.000 0.447 1104 I N 0.885 121.560 120.570 0.175 0.000 2.226 1104 I HA -0.270 3.903 4.170 0.004 0.000 0.245 1104 I C 2.198 178.396 176.117 0.134 0.000 1.100 1104 I CA 0.942 62.359 61.300 0.194 0.000 1.374 1104 I CB -0.332 37.660 38.000 -0.013 0.000 1.057 1104 I HN 0.167 nan 8.210 nan 0.000 0.413 1105 L N 0.816 122.081 121.223 0.070 0.000 2.633 1105 L HA -0.103 4.240 4.340 0.004 0.000 0.235 1105 L C 0.688 177.615 176.870 0.094 0.000 1.163 1105 L CA 0.951 55.818 54.840 0.045 0.000 0.859 1105 L CB -0.609 41.450 42.059 -0.000 0.000 0.973 1105 L HN 0.359 nan 8.230 nan 0.000 0.451 1106 N N -1.681 117.101 118.700 0.137 0.000 2.235 1106 N HA 0.105 4.847 4.740 0.004 0.000 0.231 1106 N C 0.151 175.760 175.510 0.165 0.000 1.177 1106 N CA -0.093 53.050 53.050 0.156 0.000 0.874 1106 N CB 0.877 39.456 38.487 0.152 0.000 1.097 1106 N HN -0.196 nan 8.380 nan 0.000 0.518 1107 V N 0.724 120.761 119.914 0.206 0.000 5.637 1107 V HA -0.299 3.824 4.120 0.004 0.000 0.246 1107 V C 0.575 176.726 176.094 0.096 0.000 0.678 1107 V CA 0.584 63.005 62.300 0.201 0.000 0.578 1107 V CB -2.436 29.486 31.823 0.164 0.000 0.235 1107 V HN 0.436 nan 8.190 nan 0.000 0.609 1108 A N 1.322 124.199 122.820 0.094 0.000 2.451 1108 A HA 0.508 4.831 4.320 0.004 0.000 0.266 1108 A C 1.102 178.668 177.584 -0.030 0.000 1.119 1108 A CA 0.444 52.506 52.037 0.043 0.000 0.786 1108 A CB 0.755 19.796 19.000 0.068 0.000 1.061 1108 A HN 0.564 nan 8.150 nan 0.000 0.503 1109 K N 2.637 123.019 120.400 -0.030 0.000 1.967 1109 K HA -0.104 4.219 4.320 0.004 0.000 0.212 1109 K C 0.613 177.182 176.600 -0.052 0.000 1.044 1109 K CA 1.828 58.081 56.287 -0.056 0.000 0.942 1109 K CB -0.267 32.209 32.500 -0.040 0.000 0.726 1109 K HN 0.885 nan 8.250 nan 0.000 0.440 1110 N N 1.946 120.631 118.700 -0.025 0.000 2.430 1110 N HA 0.120 4.863 4.740 0.004 0.000 0.265 1110 N C -0.308 175.203 175.510 0.000 0.000 1.100 1110 N CA 0.008 53.049 53.050 -0.015 0.000 0.961 1110 N CB 0.248 38.732 38.487 -0.005 0.000 1.075 1110 N HN 0.290 nan 8.380 nan 0.000 0.478 1111 M N -0.366 119.233 119.600 -0.002 0.000 2.724 1111 M HA 0.468 4.950 4.480 0.004 0.000 0.310 1111 M C 0.355 176.675 176.300 0.033 0.000 1.217 1111 M CA -0.997 54.315 55.300 0.020 0.000 0.894 1111 M CB 2.282 34.888 32.600 0.011 0.000 1.719 1111 M HN 0.182 nan 8.290 nan 0.000 0.479 1112 K N 0.176 120.611 120.400 0.057 0.000 2.044 1112 K HA 0.087 4.410 4.320 0.004 0.000 0.204 1112 K C 0.099 176.741 176.600 0.070 0.000 1.049 1112 K CA 1.097 57.427 56.287 0.071 0.000 0.945 1112 K CB 0.115 32.681 32.500 0.109 0.000 0.724 1112 K HN 0.694 nan 8.250 nan 0.000 0.440 1113 T N 3.322 117.921 114.554 0.075 0.000 2.977 1113 T HA 0.232 4.584 4.350 0.004 0.000 0.346 1113 T C -2.681 172.045 174.700 0.044 0.000 1.140 1113 T CA -1.378 60.760 62.100 0.064 0.000 1.040 1113 T CB 1.650 70.569 68.868 0.085 0.000 1.046 1113 T HN -0.071 nan 8.240 nan 0.000 0.494 1114 P HA 0.288 nan 4.420 nan 0.000 0.205 1114 P C 0.079 177.380 177.300 0.001 0.000 1.858 1114 P CA -0.405 62.696 63.100 0.002 0.000 0.998 1114 P CB 0.126 31.816 31.700 -0.016 0.000 1.875 1115 S N 2.074 117.784 115.700 0.018 0.000 2.579 1115 S HA 0.410 4.883 4.470 0.004 0.000 0.275 1115 S C -0.069 174.539 174.600 0.014 0.000 1.345 1115 S CA -0.260 57.955 58.200 0.024 0.000 1.031 1115 S CB -0.085 63.142 63.200 0.045 0.000 0.892 1115 S HN 0.310 nan 8.310 nan 0.000 0.529 1116 L N 2.390 123.630 121.223 0.028 0.000 2.541 1116 L HA 0.555 4.898 4.340 0.004 0.000 0.266 1116 L C -0.574 176.347 176.870 0.085 0.000 0.966 1116 L CA -0.393 54.464 54.840 0.029 0.000 0.871 1116 L CB 1.581 43.639 42.059 -0.002 0.000 1.232 1116 L HN 0.498 nan 8.230 nan 0.000 0.408 1117 T N 3.824 118.474 114.554 0.161 0.000 2.794 1117 T HA 0.515 4.867 4.350 0.004 0.000 0.296 1117 T C 0.162 174.997 174.700 0.225 0.000 0.949 1117 T CA -0.185 62.035 62.100 0.199 0.000 1.101 1117 T CB 1.031 70.084 68.868 0.309 0.000 0.905 1117 T HN 0.673 nan 8.240 nan 0.000 0.516 1118 V N 2.073 122.064 119.914 0.129 0.000 2.384 1118 V HA 0.591 4.714 4.120 0.004 0.000 0.287 1118 V C -0.972 175.186 176.094 0.106 0.000 1.020 1118 V CA -1.188 61.206 62.300 0.156 0.000 0.850 1118 V CB -0.003 31.878 31.823 0.097 0.000 0.987 1118 V HN 0.666 nan 8.190 nan 0.000 0.436 1119 Y N 3.802 124.174 120.300 0.120 0.000 2.354 1119 Y HA 0.681 5.234 4.550 0.004 0.000 0.322 1119 Y C 0.288 176.248 175.900 0.099 0.000 1.253 1119 Y CA -0.640 57.532 58.100 0.120 0.000 1.272 1119 Y CB 1.439 39.969 38.460 0.118 0.000 1.255 1119 Y HN 0.541 nan 8.280 nan 0.000 0.500 1120 L N 0.989 122.356 121.223 0.240 0.000 2.416 1120 L HA 0.246 4.589 4.340 0.004 0.000 0.262 1120 L C 0.098 177.062 176.870 0.157 0.000 1.093 1120 L CA -0.713 54.232 54.840 0.175 0.000 0.801 1120 L CB 0.660 42.814 42.059 0.160 0.000 1.191 1120 L HN 0.580 nan 8.230 nan 0.000 0.459 1121 E N 2.275 122.557 120.200 0.136 0.000 2.376 1121 E HA 0.011 4.364 4.350 0.004 0.000 0.266 1121 E C -1.578 175.003 176.600 -0.032 0.000 1.009 1121 E CA -1.125 55.319 56.400 0.075 0.000 0.902 1121 E CB 0.813 30.599 29.700 0.142 0.000 0.972 1121 E HN 0.332 nan 8.360 nan 0.000 0.439 1122 P HA -0.296 nan 4.420 nan 0.000 0.225 1122 P C 1.001 178.233 177.300 -0.113 0.000 1.154 1122 P CA 2.057 65.125 63.100 -0.053 0.000 0.933 1122 P CB 0.057 31.721 31.700 -0.060 0.000 0.790 1123 G N -1.014 107.614 108.800 -0.286 0.000 2.404 1123 G HA2 -0.182 3.781 3.960 0.004 0.000 0.214 1123 G HA3 -0.182 3.781 3.960 0.004 0.000 0.214 1123 G C 0.776 175.533 174.900 -0.239 0.000 1.189 1123 G CA 0.494 45.398 45.100 -0.326 0.000 0.789 1123 G HN 0.399 nan 8.290 nan 0.000 0.533 1124 H N 0.888 119.987 119.070 0.049 0.000 2.813 1124 H HA 0.520 5.078 4.556 0.004 0.000 0.312 1124 H C 1.585 176.955 175.328 0.070 0.000 1.228 1124 H CA 0.265 56.341 56.048 0.046 0.000 1.154 1124 H CB -0.297 29.481 29.762 0.027 0.000 1.418 1124 H HN 0.367 nan 8.280 nan 0.000 0.525 1125 A N 0.572 123.470 122.820 0.131 0.000 2.115 1125 A HA 0.360 4.682 4.320 0.004 0.000 0.211 1125 A C 2.111 179.846 177.584 0.252 0.000 1.169 1125 A CA 0.641 52.781 52.037 0.170 0.000 0.787 1125 A CB 0.247 19.329 19.000 0.136 0.000 0.858 1125 A HN 0.435 nan 8.150 nan 0.000 0.474 1126 A N -0.604 122.354 122.820 0.230 0.000 2.430 1126 A HA 0.317 4.640 4.320 0.004 0.000 0.243 1126 A C 0.102 177.876 177.584 0.317 0.000 1.254 1126 A CA 0.049 52.283 52.037 0.328 0.000 0.914 1126 A CB -0.141 18.970 19.000 0.185 0.000 0.998 1126 A HN 0.249 nan 8.150 nan 0.000 0.515 1127 D N 0.052 120.550 120.400 0.165 0.000 2.316 1127 D HA 0.292 4.935 4.640 0.004 0.000 0.245 1127 D C 1.177 177.352 176.300 -0.208 0.000 1.171 1127 D CA -0.124 53.890 54.000 0.023 0.000 0.856 1127 D CB 1.260 42.077 40.800 0.029 0.000 1.090 1127 D HN 0.259 nan 8.370 nan 0.000 0.476 1128 Q N 3.456 123.079 119.800 -0.294 0.000 1.956 1128 Q HA -0.233 4.110 4.340 0.004 0.000 0.208 1128 Q C 1.582 177.304 176.000 -0.462 0.000 0.998 1128 Q CA 2.088 57.525 55.803 -0.611 0.000 0.855 1128 Q CB -0.145 28.386 28.738 -0.344 0.000 0.928 1128 Q HN 0.691 nan 8.270 nan 0.000 0.418 1129 E N -0.716 119.332 120.200 -0.254 0.000 2.085 1129 E HA -0.320 4.032 4.350 0.004 0.000 0.194 1129 E C 2.036 178.533 176.600 -0.172 0.000 0.994 1129 E CA 1.398 57.685 56.400 -0.188 0.000 0.801 1129 E CB -0.146 29.484 29.700 -0.117 0.000 0.743 1129 E HN 0.501 nan 8.360 nan 0.000 0.453 1130 Q N 0.708 120.419 119.800 -0.148 0.000 2.152 1130 Q HA -0.200 4.142 4.340 0.004 0.000 0.206 1130 Q C 1.785 177.712 176.000 -0.122 0.000 0.985 1130 Q CA 2.247 57.985 55.803 -0.108 0.000 0.863 1130 Q CB -0.469 28.238 28.738 -0.052 0.000 0.904 1130 Q HN 0.315 nan 8.270 nan 0.000 0.422 1131 A N 0.961 123.656 122.820 -0.208 0.000 1.930 1131 A HA -0.165 4.157 4.320 0.004 0.000 0.217 1131 A C 1.889 179.367 177.584 -0.176 0.000 1.175 1131 A CA 1.660 53.571 52.037 -0.210 0.000 0.627 1131 A CB -0.607 18.147 19.000 -0.409 0.000 0.815 1131 A HN 0.584 nan 8.150 nan 0.000 0.443 1132 K N -0.637 119.644 120.400 -0.199 0.000 2.444 1132 K HA 0.307 4.630 4.320 0.004 0.000 0.193 1132 K C 1.277 177.819 176.600 -0.097 0.000 1.024 1132 K CA 0.366 56.568 56.287 -0.142 0.000 1.077 1132 K CB -0.123 32.288 32.500 -0.149 0.000 0.833 1132 K HN 0.390 nan 8.250 nan 0.000 0.517 1133 L N 0.560 121.727 121.223 -0.093 0.000 2.253 1133 L HA 0.130 4.473 4.340 0.004 0.000 0.205 1133 L C 2.148 178.987 176.870 -0.052 0.000 1.078 1133 L CA 0.400 55.199 54.840 -0.069 0.000 0.805 1133 L CB 0.035 42.050 42.059 -0.073 0.000 0.963 1133 L HN 0.195 nan 8.230 nan 0.000 0.459 1134 I N -0.749 119.793 120.570 -0.046 0.000 2.286 1134 I HA -0.263 3.909 4.170 0.004 0.000 0.245 1134 I C 2.716 178.821 176.117 -0.021 0.000 1.104 1134 I CA 0.784 62.070 61.300 -0.023 0.000 1.397 1134 I CB -0.309 37.688 38.000 -0.005 0.000 1.072 1134 I HN 0.273 nan 8.210 nan 0.000 0.417 1135 R N 1.464 121.943 120.500 -0.035 0.000 2.122 1135 R HA -0.223 4.120 4.340 0.004 0.000 0.236 1135 R C 2.215 178.501 176.300 -0.022 0.000 1.129 1135 R CA 2.501 58.584 56.100 -0.029 0.000 0.925 1135 R CB -0.480 29.793 30.300 -0.045 0.000 0.850 1135 R HN 0.399 nan 8.270 nan 0.000 0.431 1136 S N -0.531 115.150 115.700 -0.032 0.000 2.626 1136 S HA -0.031 4.442 4.470 0.004 0.000 0.245 1136 S C 1.264 175.851 174.600 -0.022 0.000 0.973 1136 S CA 0.819 59.002 58.200 -0.028 0.000 0.959 1136 S CB 0.146 63.324 63.200 -0.037 0.000 0.762 1136 S HN 0.508 nan 8.310 nan 0.000 0.539 1137 A N -0.006 122.805 122.820 -0.015 0.000 2.469 1137 A HA 0.588 4.910 4.320 0.004 0.000 0.245 1137 A C 1.485 179.072 177.584 0.006 0.000 1.221 1137 A CA -0.254 51.779 52.037 -0.008 0.000 0.946 1137 A CB 0.155 19.148 19.000 -0.012 0.000 1.049 1137 A HN 0.516 nan 8.150 nan 0.000 0.529 1138 I N -1.084 119.492 120.570 0.010 0.000 3.565 1138 I HA 0.103 4.276 4.170 0.004 0.000 0.287 1138 I C 0.896 177.035 176.117 0.036 0.000 1.193 1138 I CA 0.020 61.333 61.300 0.021 0.000 1.402 1138 I CB 0.122 38.133 38.000 0.018 0.000 1.284 1138 I HN 0.301 nan 8.210 nan 0.000 0.454 1139 E N 2.311 122.529 120.200 0.031 0.000 2.480 1139 E HA -0.168 4.185 4.350 0.004 0.000 0.258 1139 E C -0.065 176.585 176.600 0.083 0.000 0.984 1139 E CA -0.022 56.406 56.400 0.046 0.000 0.930 1139 E CB 0.303 30.015 29.700 0.020 0.000 0.936 1139 E HN 0.128 nan 8.360 nan 0.000 0.466 1140 H N 3.705 122.767 119.070 -0.014 0.000 3.362 1140 H HA 0.070 4.629 4.556 0.004 0.000 0.248 1140 H C -0.972 174.345 175.328 -0.017 0.000 1.276 1140 H CA 0.177 56.215 56.048 -0.016 0.000 1.520 1140 H CB -0.320 29.434 29.762 -0.013 0.000 1.624 1140 H HN 0.228 nan 8.280 nan 0.000 0.502 1141 T N 5.243 119.704 114.554 -0.154 0.000 2.738 1141 T HA 0.231 4.584 4.350 0.004 0.000 0.298 1141 T C 0.212 174.756 174.700 -0.260 0.000 0.962 1141 T CA -0.601 61.398 62.100 -0.170 0.000 0.972 1141 T CB 0.219 69.032 68.868 -0.092 0.000 0.928 1141 T HN 0.649 nan 8.240 nan 0.000 0.474 1142 T N 1.333 115.727 114.554 -0.267 0.000 2.927 1142 T HA 0.378 4.731 4.350 0.004 0.000 0.281 1142 T C 1.310 175.934 174.700 -0.126 0.000 0.998 1142 T CA -1.018 60.946 62.100 -0.228 0.000 1.019 1142 T CB 0.947 69.685 68.868 -0.216 0.000 1.061 1142 T HN 0.215 nan 8.240 nan 0.000 0.518 1143 L N 0.454 121.619 121.223 -0.096 0.000 2.261 1143 L HA 0.061 4.404 4.340 0.004 0.000 0.216 1143 L C 2.292 179.137 176.870 -0.043 0.000 1.114 1143 L CA 1.728 56.532 54.840 -0.060 0.000 0.777 1143 L CB -0.971 41.065 42.059 -0.038 0.000 0.910 1143 L HN 0.843 nan 8.230 nan 0.000 0.440 1144 K N -1.044 119.328 120.400 -0.047 0.000 2.288 1144 K HA -0.099 4.223 4.320 0.004 0.000 0.201 1144 K C 2.125 178.706 176.600 -0.031 0.000 1.048 1144 K CA 1.047 57.316 56.287 -0.030 0.000 0.956 1144 K CB 0.034 32.518 32.500 -0.027 0.000 0.746 1144 K HN 0.612 nan 8.250 nan 0.000 0.461 1145 S N -0.228 115.443 115.700 -0.047 0.000 2.395 1145 S HA -0.082 4.391 4.470 0.004 0.000 0.225 1145 S C 1.867 176.450 174.600 -0.030 0.000 1.027 1145 S CA 0.942 59.118 58.200 -0.040 0.000 0.965 1145 S CB -0.188 62.978 63.200 -0.057 0.000 0.812 1145 S HN 0.169 nan 8.310 nan 0.000 0.482 1146 V N -0.823 119.072 119.914 -0.032 0.000 3.471 1146 V HA 0.234 4.357 4.120 0.004 0.000 0.258 1146 V C 0.856 176.942 176.094 -0.012 0.000 1.192 1146 V CA 0.172 62.457 62.300 -0.024 0.000 1.116 1146 V CB -1.403 30.401 31.823 -0.032 0.000 0.792 1146 V HN 0.320 nan 8.190 nan 0.000 0.459 1147 T N 1.677 116.225 114.554 -0.010 0.000 2.940 1147 T HA 0.402 4.754 4.350 0.004 0.000 0.309 1147 T C 1.049 175.753 174.700 0.006 0.000 1.056 1147 T CA 0.544 62.645 62.100 0.002 0.000 1.137 1147 T CB 1.537 70.408 68.868 0.005 0.000 0.976 1147 T HN 0.235 nan 8.240 nan 0.000 0.547 1148 I N 0.972 121.550 120.570 0.014 0.000 3.098 1148 I HA 0.333 4.506 4.170 0.004 0.000 0.241 1148 I C 1.137 177.265 176.117 0.018 0.000 1.081 1148 I CA 0.022 61.331 61.300 0.015 0.000 1.487 1148 I CB -0.002 38.009 38.000 0.019 0.000 1.366 1148 I HN 0.571 nan 8.210 nan 0.000 0.463 1149 A N 0.688 123.523 122.820 0.026 0.000 2.393 1149 A HA 0.603 4.925 4.320 0.004 0.000 0.306 1149 A C -0.477 177.128 177.584 0.034 0.000 1.050 1149 A CA -0.380 51.672 52.037 0.026 0.000 0.724 1149 A CB 1.095 20.113 19.000 0.030 0.000 1.248 1149 A HN 0.264 nan 8.150 nan 0.000 0.424 1150 S N 2.095 117.810 115.700 0.024 0.000 2.461 1150 S HA 0.608 5.081 4.470 0.004 0.000 0.322 1150 S C -0.570 174.040 174.600 0.017 0.000 1.063 1150 S CA -0.529 57.689 58.200 0.030 0.000 1.120 1150 S CB 0.575 63.787 63.200 0.021 0.000 0.968 1150 S HN 0.665 nan 8.310 nan 0.000 0.467 1151 E N 2.406 122.626 120.200 0.034 0.000 2.222 1151 E HA 0.602 4.954 4.350 0.004 0.000 0.267 1151 E C -0.826 175.768 176.600 -0.011 0.000 0.963 1151 E CA -0.851 55.528 56.400 -0.034 0.000 0.837 1151 E CB 1.792 31.453 29.700 -0.066 0.000 1.183 1151 E HN 0.620 nan 8.360 nan 0.000 0.403 1152 I N 2.361 122.870 120.570 -0.101 0.000 2.447 1152 I HA 0.299 4.472 4.170 0.004 0.000 0.287 1152 I C -1.246 174.866 176.117 -0.008 0.000 1.023 1152 I CA -0.574 60.746 61.300 0.033 0.000 1.083 1152 I CB 0.814 38.849 38.000 0.058 0.000 1.245 1152 I HN 0.457 nan 8.210 nan 0.000 0.434 1153 Y N 4.497 124.925 120.300 0.214 0.000 2.528 1153 Y HA 0.294 4.847 4.550 0.004 0.000 0.335 1153 Y C -0.443 175.597 175.900 0.233 0.000 1.093 1153 Y CA -0.540 57.676 58.100 0.194 0.000 1.134 1153 Y CB 1.639 40.155 38.460 0.093 0.000 1.253 1153 Y HN 0.395 nan 8.280 nan 0.000 0.478 1154 Y N 2.494 122.896 120.300 0.170 0.000 2.880 1154 Y HA 0.271 4.823 4.550 0.004 0.000 0.329 1154 Y C -0.787 175.042 175.900 -0.119 0.000 1.156 1154 Y CA -0.884 57.100 58.100 -0.194 0.000 1.348 1154 Y CB -0.075 38.165 38.460 -0.366 0.000 1.280 1154 Y HN 0.473 nan 8.280 nan 0.000 0.516 1155 D N 7.042 127.206 120.400 -0.393 0.000 2.412 1155 D HA 0.252 4.895 4.640 0.004 0.000 0.224 1155 D C -2.089 173.887 176.300 -0.539 0.000 1.093 1155 D CA -2.126 51.654 54.000 -0.366 0.000 0.850 1155 D CB 2.101 42.794 40.800 -0.178 0.000 1.046 1155 D HN 0.282 nan 8.370 nan 0.000 0.507 1156 P HA 0.043 nan 4.420 nan 0.000 0.220 1156 P C 0.122 177.248 177.300 -0.290 0.000 1.154 1156 P CA 0.301 63.066 63.100 -0.559 0.000 0.830 1156 P CB 0.601 32.031 31.700 -0.451 0.000 0.803 1157 D N 0.772 121.041 120.400 -0.219 0.000 2.467 1157 D HA 0.123 4.765 4.640 0.004 0.000 0.220 1157 D C -1.926 174.286 176.300 -0.146 0.000 1.103 1157 D CA -2.102 51.803 54.000 -0.159 0.000 0.886 1157 D CB 1.057 41.776 40.800 -0.135 0.000 1.025 1157 D HN 0.055 nan 8.370 nan 0.000 0.514 1158 P HA 0.103 nan 4.420 nan 0.000 0.269 1158 P C 0.478 177.724 177.300 -0.090 0.000 1.601 1158 P CA 0.100 63.166 63.100 -0.058 0.000 0.831 1158 P CB 0.075 31.750 31.700 -0.042 0.000 1.688 1159 R N -0.871 119.498 120.500 -0.219 0.000 2.556 1159 R HA 0.164 4.507 4.340 0.004 0.000 0.276 1159 R C 0.082 176.176 176.300 -0.344 0.000 0.931 1159 R CA 0.262 56.089 56.100 -0.455 0.000 1.061 1159 R CB 0.799 30.850 30.300 -0.415 0.000 1.432 1159 R HN 0.241 nan 8.270 nan 0.000 0.547 1160 S N 0.062 115.637 115.700 -0.208 0.000 2.649 1160 S HA 0.319 4.792 4.470 0.004 0.000 0.274 1160 S C -0.444 174.082 174.600 -0.124 0.000 1.176 1160 S CA -0.711 57.396 58.200 -0.155 0.000 0.988 1160 S CB 2.190 65.309 63.200 -0.136 0.000 1.071 1160 S HN -0.076 nan 8.310 nan 0.000 0.478 1161 T N 2.882 117.371 114.554 -0.109 0.000 2.919 1161 T HA 0.214 4.567 4.350 0.004 0.000 0.302 1161 T C 1.690 176.319 174.700 -0.119 0.000 1.031 1161 T CA -0.509 61.521 62.100 -0.117 0.000 1.127 1161 T CB 1.061 69.860 68.868 -0.115 0.000 0.952 1161 T HN 0.559 nan 8.240 nan 0.000 0.540 1162 V N 2.674 122.506 119.914 -0.137 0.000 2.407 1162 V HA -0.071 4.052 4.120 0.004 0.000 0.248 1162 V C 1.166 177.192 176.094 -0.113 0.000 1.055 1162 V CA 1.350 63.585 62.300 -0.109 0.000 1.049 1162 V CB -0.612 31.157 31.823 -0.090 0.000 0.662 1162 V HN 0.729 nan 8.190 nan 0.000 0.455 1163 I N 2.313 122.776 120.570 -0.178 0.000 2.436 1163 I HA 0.141 4.313 4.170 0.004 0.000 0.289 1163 I C -1.289 174.768 176.117 -0.099 0.000 1.083 1163 I CA -1.476 59.729 61.300 -0.158 0.000 1.372 1163 I CB 0.540 38.383 38.000 -0.261 0.000 1.408 1163 I HN 0.101 nan 8.210 nan 0.000 0.516 1164 P HA -0.036 nan 4.420 nan 0.000 0.245 1164 P C 0.612 177.892 177.300 -0.033 0.000 1.212 1164 P CA 0.837 63.912 63.100 -0.043 0.000 0.774 1164 P CB 0.209 31.893 31.700 -0.028 0.000 0.999 1165 E N -0.463 119.715 120.200 -0.036 0.000 2.479 1165 E HA -0.007 4.346 4.350 0.004 0.000 0.193 1165 E C 0.548 177.133 176.600 -0.026 0.000 1.049 1165 E CA 0.189 56.576 56.400 -0.022 0.000 0.870 1165 E CB 0.001 29.694 29.700 -0.012 0.000 0.944 1165 E HN 0.166 nan 8.360 nan 0.000 0.492 1166 D N 0.137 120.511 120.400 -0.044 0.000 2.479 1166 D HA 0.002 4.645 4.640 0.004 0.000 0.221 1166 D C 1.135 177.415 176.300 -0.032 0.000 1.104 1166 D CA 0.099 54.074 54.000 -0.042 0.000 0.849 1166 D CB 0.286 41.042 40.800 -0.074 0.000 1.072 1166 D HN 0.094 nan 8.370 nan 0.000 0.502 1167 E N 1.116 121.294 120.200 -0.037 0.000 2.136 1167 E HA -0.268 4.084 4.350 0.004 0.000 0.202 1167 E C 1.266 177.857 176.600 -0.015 0.000 1.019 1167 E CA 1.230 57.609 56.400 -0.034 0.000 0.819 1167 E CB -0.140 29.539 29.700 -0.036 0.000 0.739 1167 E HN 0.431 nan 8.360 nan 0.000 0.458 1168 E N 0.183 120.381 120.200 -0.004 0.000 2.338 1168 E HA -0.113 4.240 4.350 0.004 0.000 0.197 1168 E C 1.914 178.534 176.600 0.033 0.000 1.007 1168 E CA 0.531 56.937 56.400 0.010 0.000 0.849 1168 E CB 0.011 29.717 29.700 0.011 0.000 0.774 1168 E HN 0.346 nan 8.360 nan 0.000 0.506 1169 I N 0.379 120.970 120.570 0.035 0.000 2.277 1169 I HA -0.183 3.989 4.170 0.004 0.000 0.243 1169 I C 2.189 178.384 176.117 0.130 0.000 1.094 1169 I CA 0.794 62.135 61.300 0.069 0.000 1.393 1169 I CB -0.036 37.972 38.000 0.014 0.000 1.078 1169 I HN 0.095 nan 8.210 nan 0.000 0.417 1170 I N 0.559 121.183 120.570 0.090 0.000 2.361 1170 I HA -0.301 3.871 4.170 0.004 0.000 0.251 1170 I C 2.501 178.738 176.117 0.199 0.000 1.133 1170 I CA 1.304 62.702 61.300 0.165 0.000 1.413 1170 I CB -0.353 37.683 38.000 0.059 0.000 1.073 1170 I HN 0.343 nan 8.210 nan 0.000 0.424 1171 Q N 0.560 120.416 119.800 0.093 0.000 2.173 1171 Q HA -0.237 4.105 4.340 0.004 0.000 0.208 1171 Q C 2.253 178.314 176.000 0.102 0.000 0.989 1171 Q CA 1.630 57.477 55.803 0.072 0.000 0.872 1171 Q CB -0.253 28.502 28.738 0.029 0.000 0.909 1171 Q HN 0.573 nan 8.270 nan 0.000 0.420 1172 L N -1.112 120.167 121.223 0.094 0.000 2.095 1172 L HA -0.054 4.289 4.340 0.004 0.000 0.204 1172 L C 1.754 178.577 176.870 -0.079 0.000 1.080 1172 L CA 0.872 55.704 54.840 -0.013 0.000 0.759 1172 L CB -0.557 41.460 42.059 -0.070 0.000 0.914 1172 L HN 0.238 nan 8.230 nan 0.000 0.439 1173 H N -1.017 118.058 119.070 0.009 0.000 2.607 1173 H HA 0.122 4.681 4.556 0.004 0.000 0.288 1173 H C 0.682 175.961 175.328 -0.081 0.000 1.058 1173 H CA 0.523 56.523 56.048 -0.080 0.000 1.178 1173 H CB 0.324 29.991 29.762 -0.158 0.000 1.340 1173 H HN 0.337 nan 8.280 nan 0.000 0.591 1174 F N -0.608 119.362 119.950 0.033 0.000 2.754 1174 F HA -0.062 4.467 4.527 0.004 0.000 0.316 1174 F C 2.483 178.279 175.800 -0.007 0.000 0.959 1174 F CA 0.302 58.317 58.000 0.025 0.000 1.148 1174 F CB 0.244 39.261 39.000 0.027 0.000 0.951 1174 F HN 0.033 nan 8.300 nan 0.000 0.625 1175 S N 0.452 116.238 115.700 0.143 0.000 2.399 1175 S HA -0.046 4.426 4.470 0.004 0.000 0.231 1175 S C 0.726 175.336 174.600 0.017 0.000 1.022 1175 S CA 0.785 59.024 58.200 0.064 0.000 0.983 1175 S CB -0.548 62.668 63.200 0.027 0.000 0.803 1175 S HN 0.180 nan 8.310 nan 0.000 0.480 1188 Q N 0.947 120.684 119.800 -0.106 0.000 3.067 1188 Q HA 0.694 5.037 4.340 0.004 0.000 0.200 1188 Q C -0.663 175.312 176.000 -0.042 0.000 1.068 1188 Q CA -0.521 55.224 55.803 -0.096 0.000 0.800 1188 Q CB 1.250 29.862 28.738 -0.210 0.000 2.832 1188 Q HN 0.096 nan 8.270 nan 0.000 0.405 1189 S N -0.332 115.363 115.700 -0.008 0.000 2.600 1189 S HA 0.437 4.910 4.470 0.004 0.000 0.300 1189 S C -2.200 172.392 174.600 -0.013 0.000 1.087 1189 S CA -1.997 56.221 58.200 0.028 0.000 0.965 1189 S CB 1.038 64.303 63.200 0.108 0.000 1.089 1189 S HN 0.373 nan 8.310 nan 0.000 0.496 1190 P HA 0.126 nan 4.420 nan 0.000 0.235 1190 P C -0.397 176.709 177.300 -0.323 0.000 1.177 1190 P CA 0.265 63.170 63.100 -0.325 0.000 0.785 1190 P CB -0.062 31.312 31.700 -0.543 0.000 0.885 1191 W N 1.484 122.800 121.300 0.026 0.000 2.510 1191 W HA 0.292 4.954 4.660 0.004 0.000 0.388 1191 W C 0.521 177.080 176.519 0.068 0.000 1.092 1191 W CA -0.803 56.590 57.345 0.080 0.000 1.562 1191 W CB -0.267 29.251 29.460 0.097 0.000 1.603 1191 W HN -0.083 nan 8.180 nan 0.000 0.396 1192 L N 4.952 126.331 121.223 0.260 0.000 2.417 1192 L HA 0.438 4.780 4.340 0.004 0.000 0.268 1192 L C -0.558 176.467 176.870 0.259 0.000 1.158 1192 L CA -0.473 54.497 54.840 0.217 0.000 0.819 1192 L CB 0.615 42.768 42.059 0.157 0.000 1.112 1192 L HN 0.288 nan 8.230 nan 0.000 0.458 1193 L N 5.177 126.517 121.223 0.195 0.000 2.388 1193 L HA 0.521 4.863 4.340 0.004 0.000 0.267 1193 L C -0.556 176.410 176.870 0.159 0.000 0.995 1193 L CA -0.271 54.667 54.840 0.163 0.000 0.864 1193 L CB 0.824 42.945 42.059 0.103 0.000 1.216 1193 L HN 0.751 nan 8.230 nan 0.000 0.430 1194 R N 4.404 125.030 120.500 0.210 0.000 2.404 1194 R HA 0.774 5.116 4.340 0.004 0.000 0.291 1194 R C -1.479 174.902 176.300 0.135 0.000 1.025 1194 R CA -0.465 55.751 56.100 0.194 0.000 0.991 1194 R CB 0.812 31.306 30.300 0.323 0.000 1.053 1194 R HN 0.767 nan 8.270 nan 0.000 0.479 1195 L N 3.184 124.471 121.223 0.105 0.000 2.406 1195 L HA 0.379 4.721 4.340 0.004 0.000 0.272 1195 L C -0.688 176.224 176.870 0.070 0.000 0.980 1195 L CA -0.571 54.316 54.840 0.079 0.000 0.831 1195 L CB 2.095 44.194 42.059 0.066 0.000 1.253 1195 L HN 0.663 nan 8.230 nan 0.000 0.406 1196 E N 4.316 124.552 120.200 0.060 0.000 2.109 1196 E HA 0.508 4.860 4.350 0.004 0.000 0.278 1196 E C -1.301 175.319 176.600 0.034 0.000 0.954 1196 E CA -0.566 55.864 56.400 0.050 0.000 0.779 1196 E CB 1.160 30.892 29.700 0.052 0.000 1.093 1196 E HN 0.491 nan 8.360 nan 0.000 0.401 1197 L N 3.149 124.390 121.223 0.029 0.000 2.343 1197 L HA 0.341 4.684 4.340 0.004 0.000 0.275 1197 L C 0.105 176.983 176.870 0.013 0.000 1.056 1197 L CA -0.937 53.912 54.840 0.015 0.000 0.804 1197 L CB 1.217 43.280 42.059 0.006 0.000 1.203 1197 L HN 0.565 nan 8.230 nan 0.000 0.440 1198 D N 0.834 121.238 120.400 0.005 0.000 2.225 1198 D HA 0.158 4.801 4.640 0.004 0.000 0.248 1198 D C 0.912 177.213 176.300 0.001 0.000 1.096 1198 D CA -0.183 53.819 54.000 0.005 0.000 0.863 1198 D CB 1.389 42.191 40.800 0.002 0.000 1.156 1198 D HN 0.329 nan 8.370 nan 0.000 0.450 1199 R N 2.718 123.220 120.500 0.004 0.000 2.081 1199 R HA -0.129 4.214 4.340 0.004 0.000 0.235 1199 R C 1.908 178.206 176.300 -0.004 0.000 1.131 1199 R CA 1.641 57.741 56.100 0.001 0.000 0.960 1199 R CB -0.085 30.218 30.300 0.005 0.000 0.856 1199 R HN 0.582 nan 8.270 nan 0.000 0.436 1200 A N 0.573 123.391 122.820 -0.003 0.000 1.851 1200 A HA -0.188 4.134 4.320 0.004 0.000 0.216 1200 A C 2.314 179.892 177.584 -0.010 0.000 1.195 1200 A CA 1.974 54.008 52.037 -0.006 0.000 0.622 1200 A CB -1.038 17.960 19.000 -0.004 0.000 0.831 1200 A HN 0.475 nan 8.150 nan 0.000 0.444 1201 A N -1.561 121.253 122.820 -0.011 0.000 2.015 1201 A HA -0.009 4.314 4.320 0.004 0.000 0.219 1201 A C 2.030 179.601 177.584 -0.022 0.000 1.163 1201 A CA 1.594 53.622 52.037 -0.016 0.000 0.646 1201 A CB -0.420 18.570 19.000 -0.015 0.000 0.806 1201 A HN 0.451 nan 8.150 nan 0.000 0.448 1202 M N 0.077 119.665 119.600 -0.021 0.000 2.659 1202 M HA 0.023 4.505 4.480 0.004 0.000 0.243 1202 M C 0.525 176.808 176.300 -0.028 0.000 1.111 1202 M CA 0.744 56.028 55.300 -0.027 0.000 1.070 1202 M CB -0.657 31.928 32.600 -0.024 0.000 1.525 1202 M HN 0.445 nan 8.290 nan 0.000 0.517 1203 N N -0.761 117.924 118.700 -0.024 0.000 2.159 1203 N HA -0.031 4.712 4.740 0.004 0.000 0.217 1203 N C 0.866 176.359 175.510 -0.029 0.000 1.223 1203 N CA 0.181 53.215 53.050 -0.026 0.000 0.896 1203 N CB 0.585 39.059 38.487 -0.020 0.000 1.064 1203 N HN 0.250 nan 8.380 nan 0.000 0.518 1204 D N 1.486 121.869 120.400 -0.027 0.000 2.149 1204 D HA -0.028 4.615 4.640 0.004 0.000 0.201 1204 D C -0.179 176.101 176.300 -0.034 0.000 0.972 1204 D CA 1.306 55.289 54.000 -0.029 0.000 0.835 1204 D CB 0.310 41.097 40.800 -0.023 0.000 0.966 1204 D HN 0.037 nan 8.370 nan 0.000 0.476 1205 K N 0.934 121.314 120.400 -0.034 0.000 2.449 1205 K HA 0.269 4.592 4.320 0.004 0.000 0.257 1205 K C -1.355 175.221 176.600 -0.041 0.000 0.989 1205 K CA -0.657 55.608 56.287 -0.037 0.000 0.916 1205 K CB 1.617 34.095 32.500 -0.037 0.000 1.136 1205 K HN -0.089 nan 8.250 nan 0.000 0.439 1206 D N 3.452 123.827 120.400 -0.041 0.000 2.383 1206 D HA 0.031 4.673 4.640 0.004 0.000 0.275 1206 D C -0.482 175.790 176.300 -0.045 0.000 1.344 1206 D CA 0.772 54.747 54.000 -0.041 0.000 0.984 1206 D CB 0.112 40.887 40.800 -0.042 0.000 1.104 1206 D HN 0.257 nan 8.370 nan 0.000 0.524 1207 L N 1.538 122.732 121.223 -0.047 0.000 2.376 1207 L HA 0.586 4.928 4.340 0.004 0.000 0.258 1207 L C 0.140 176.977 176.870 -0.054 0.000 1.013 1207 L CA -0.748 54.057 54.840 -0.058 0.000 0.822 1207 L CB 2.580 44.597 42.059 -0.069 0.000 1.388 1207 L HN 0.111 nan 8.230 nan 0.000 0.413 1208 T N 0.357 114.870 114.554 -0.068 0.000 2.906 1208 T HA 0.305 4.658 4.350 0.004 0.000 0.295 1208 T C 0.916 175.555 174.700 -0.101 0.000 1.061 1208 T CA -0.595 61.471 62.100 -0.057 0.000 1.000 1208 T CB 1.683 70.532 68.868 -0.032 0.000 1.103 1208 T HN 0.422 nan 8.240 nan 0.000 0.486 1209 M N 1.591 121.150 119.600 -0.069 0.000 2.116 1209 M HA -0.118 4.365 4.480 0.004 0.000 0.255 1209 M C 2.426 178.465 176.300 -0.435 0.000 1.075 1209 M CA 2.259 57.483 55.300 -0.127 0.000 1.087 1209 M CB -1.732 30.918 32.600 0.084 0.000 1.340 1209 M HN 0.843 nan 8.290 nan 0.000 0.402 1210 G N -0.405 108.244 108.800 -0.252 0.000 2.459 1210 G HA2 -0.266 3.696 3.960 0.004 0.000 0.217 1210 G HA3 -0.266 3.696 3.960 0.004 0.000 0.217 1210 G C 1.462 176.067 174.900 -0.491 0.000 1.183 1210 G CA 0.927 45.828 45.100 -0.332 0.000 0.776 1210 G HN 0.571 nan 8.290 nan 0.000 0.552 1211 Q N -0.184 119.445 119.800 -0.286 0.000 2.135 1211 Q HA -0.077 4.266 4.340 0.004 0.000 0.204 1211 Q C 2.844 178.660 176.000 -0.306 0.000 0.981 1211 Q CA 1.589 57.249 55.803 -0.239 0.000 0.856 1211 Q CB -0.263 28.386 28.738 -0.147 0.000 0.902 1211 Q HN 0.440 nan 8.270 nan 0.000 0.425 1212 V N 0.155 119.860 119.914 -0.349 0.000 2.307 1212 V HA -0.170 3.953 4.120 0.004 0.000 0.245 1212 V C 2.217 178.043 176.094 -0.447 0.000 1.045 1212 V CA 1.942 64.051 62.300 -0.318 0.000 1.024 1212 V CB -1.324 30.352 31.823 -0.245 0.000 0.651 1212 V HN 0.508 nan 8.190 nan 0.000 0.449 1213 G N -0.459 107.818 108.800 -0.872 0.000 2.408 1213 G HA2 -0.169 3.793 3.960 0.004 0.000 0.217 1213 G HA3 -0.169 3.793 3.960 0.004 0.000 0.217 1213 G C 1.450 175.822 174.900 -0.880 0.000 1.150 1213 G CA 0.419 44.790 45.100 -1.215 0.000 0.776 1213 G HN 0.460 nan 8.290 nan 0.000 0.542 1214 E N 0.157 119.894 120.200 -0.772 0.000 2.333 1214 E HA -0.067 4.286 4.350 0.004 0.000 0.198 1214 E C 2.549 179.044 176.600 -0.175 0.000 1.007 1214 E CA 0.473 56.697 56.400 -0.293 0.000 0.845 1214 E CB 0.017 29.605 29.700 -0.187 0.000 0.766 1214 E HN 0.218 nan 8.360 nan 0.000 0.507 1215 R N 0.665 121.036 120.500 -0.215 0.000 2.100 1215 R HA 0.107 4.449 4.340 0.004 0.000 0.220 1215 R C 2.194 178.419 176.300 -0.125 0.000 1.091 1215 R CA 0.606 56.617 56.100 -0.148 0.000 0.986 1215 R CB -0.374 29.836 30.300 -0.150 0.000 0.888 1215 R HN 0.140 nan 8.270 nan 0.000 0.444 1216 I N 0.025 120.533 120.570 -0.103 0.000 2.353 1216 I HA -0.149 4.024 4.170 0.004 0.000 0.248 1216 I C 2.115 178.255 176.117 0.040 0.000 1.119 1216 I CA 1.065 62.351 61.300 -0.025 0.000 1.417 1216 I CB -0.251 37.792 38.000 0.071 0.000 1.078 1216 I HN 0.076 nan 8.210 nan 0.000 0.421 1217 K N 1.305 121.740 120.400 0.059 0.000 2.442 1217 K HA -0.161 4.161 4.320 0.004 0.000 0.198 1217 K C 1.493 178.134 176.600 0.068 0.000 1.042 1217 K CA 0.892 57.251 56.287 0.120 0.000 0.958 1217 K CB 0.124 32.727 32.500 0.172 0.000 0.766 1217 K HN 0.508 nan 8.250 nan 0.000 0.474 1218 Q N -1.627 118.169 119.800 -0.007 0.000 2.157 1218 Q HA 0.141 4.484 4.340 0.004 0.000 0.229 1218 Q C 0.148 176.085 176.000 -0.105 0.000 0.827 1218 Q CA -0.225 55.559 55.803 -0.031 0.000 1.055 1218 Q CB 1.102 29.822 28.738 -0.030 0.000 1.157 1218 Q HN -0.056 nan 8.270 nan 0.000 0.482 1219 T N -0.622 113.807 114.554 -0.209 0.000 3.044 1219 T HA 0.165 4.518 4.350 0.004 0.000 0.237 1219 T C 0.721 175.145 174.700 -0.460 0.000 1.001 1219 T CA 0.385 62.224 62.100 -0.434 0.000 1.160 1219 T CB -0.113 68.292 68.868 -0.771 0.000 0.889 1219 T HN 0.341 nan 8.240 nan 0.000 0.442 1220 F N 1.517 121.479 119.950 0.021 0.000 2.765 1220 F HA 0.425 4.955 4.527 0.004 0.000 0.302 1220 F C 1.105 176.926 175.800 0.034 0.000 1.111 1220 F CA -0.559 57.458 58.000 0.028 0.000 1.359 1220 F CB -0.363 38.657 39.000 0.035 0.000 1.097 1220 F HN -0.070 nan 8.300 nan 0.000 0.577 1221 K N 0.162 120.642 120.400 0.133 0.000 2.009 1221 K HA -0.269 4.054 4.320 0.004 0.000 0.262 1221 K C -0.411 176.270 176.600 0.135 0.000 1.647 1221 K CA 1.232 57.581 56.287 0.103 0.000 0.655 1221 K CB -1.094 31.447 32.500 0.068 0.000 0.797 1221 K HN 0.104 nan 8.250 nan 0.000 0.855 1222 N N 2.798 121.562 118.700 0.106 0.000 3.210 1222 N HA 0.033 4.776 4.740 0.004 0.000 0.314 1222 N C -0.340 175.237 175.510 0.112 0.000 1.291 1222 N CA 1.113 54.227 53.050 0.107 0.000 1.202 1222 N CB -0.517 38.019 38.487 0.081 0.000 1.475 1222 N HN 0.432 nan 8.380 nan 0.000 0.554 1223 D N -1.981 118.500 120.400 0.135 0.000 2.640 1223 D HA 0.102 4.745 4.640 0.004 0.000 0.282 1223 D C -0.472 175.899 176.300 0.119 0.000 1.558 1223 D CA -0.343 53.727 54.000 0.117 0.000 0.820 1223 D CB -0.383 40.475 40.800 0.098 0.000 1.243 1223 D HN 0.018 nan 8.370 nan 0.000 0.456 1224 L N 0.933 122.247 121.223 0.153 0.000 2.446 1224 L HA 0.519 4.862 4.340 0.004 0.000 0.268 1224 L C -1.506 175.479 176.870 0.191 0.000 0.975 1224 L CA -1.030 53.891 54.840 0.135 0.000 0.848 1224 L CB 1.444 43.547 42.059 0.075 0.000 1.225 1224 L HN 0.038 nan 8.230 nan 0.000 0.410 1225 F N 6.215 126.193 119.950 0.047 0.000 2.490 1225 F HA 0.401 4.930 4.527 0.004 0.000 0.357 1225 F C -0.442 175.387 175.800 0.049 0.000 1.166 1225 F CA 0.042 58.065 58.000 0.038 0.000 1.116 1225 F CB 0.302 39.312 39.000 0.016 0.000 1.171 1225 F HN 0.169 nan 8.300 nan 0.000 0.576 1226 V N 7.751 127.479 119.914 -0.309 0.000 2.513 1226 V HA 0.545 4.668 4.120 0.004 0.000 0.299 1226 V C 0.147 176.007 176.094 -0.390 0.000 1.035 1226 V CA -0.784 61.413 62.300 -0.172 0.000 0.889 1226 V CB 1.705 33.601 31.823 0.123 0.000 0.988 1226 V HN 0.545 nan 8.190 nan 0.000 0.440 1227 I N 2.942 123.337 120.570 -0.293 0.000 3.074 1227 I HA 0.777 4.949 4.170 0.004 0.000 0.310 1227 I C -1.260 174.752 176.117 -0.175 0.000 1.153 1227 I CA -0.586 60.361 61.300 -0.588 0.000 0.993 1227 I CB 2.468 40.055 38.000 -0.688 0.000 1.237 1227 I HN 0.855 nan 8.210 nan 0.000 0.443 1228 W N 1.129 122.242 121.300 -0.311 0.000 3.248 1228 W HA 0.732 5.395 4.660 0.004 0.000 0.311 1228 W C -0.652 175.826 176.519 -0.068 0.000 1.258 1228 W CA -0.823 56.440 57.345 -0.137 0.000 1.191 1228 W CB 0.054 29.480 29.460 -0.055 0.000 1.389 1228 W HN 0.583 nan 8.180 nan 0.000 0.561 1229 S N 0.548 116.377 115.700 0.216 0.000 2.549 1229 S HA 0.594 5.066 4.470 0.004 0.000 0.260 1229 S C -0.036 174.725 174.600 0.269 0.000 1.217 1229 S CA -0.296 58.008 58.200 0.174 0.000 1.001 1229 S CB 0.748 64.014 63.200 0.111 0.000 1.059 1229 S HN 0.665 nan 8.310 nan 0.000 0.537 1230 E N -0.218 120.087 120.200 0.176 0.000 2.672 1230 E HA 0.362 4.715 4.350 0.004 0.000 0.235 1230 E C -0.604 176.059 176.600 0.104 0.000 0.906 1230 E CA -0.787 55.707 56.400 0.157 0.000 0.973 1230 E CB 0.465 30.231 29.700 0.110 0.000 1.478 1230 E HN 0.583 nan 8.360 nan 0.000 0.430 1231 D N -0.048 120.396 120.400 0.074 0.000 2.424 1231 D HA 0.091 4.734 4.640 0.004 0.000 0.220 1231 D C -0.236 176.085 176.300 0.035 0.000 1.150 1231 D CA 0.281 54.309 54.000 0.047 0.000 0.831 1231 D CB 0.084 40.904 40.800 0.034 0.000 0.981 1231 D HN 0.288 nan 8.370 nan 0.000 0.500 1232 N N 0.780 119.503 118.700 0.039 0.000 2.240 1232 N HA 0.002 4.745 4.740 0.004 0.000 0.240 1232 N C -0.915 174.612 175.510 0.028 0.000 1.277 1232 N CA -0.267 52.800 53.050 0.028 0.000 0.873 1232 N CB 1.013 39.516 38.487 0.025 0.000 1.222 1232 N HN -0.067 nan 8.380 nan 0.000 0.507 1233 D N 0.756 121.176 120.400 0.033 0.000 2.181 1233 D HA 0.011 4.654 4.640 0.004 0.000 0.248 1233 D C 1.068 177.384 176.300 0.026 0.000 1.020 1233 D CA -0.269 53.749 54.000 0.030 0.000 0.891 1233 D CB 1.610 42.432 40.800 0.038 0.000 1.187 1233 D HN 0.269 nan 8.370 nan 0.000 0.443 1234 E N 0.787 121.000 120.200 0.021 0.000 2.267 1234 E HA -0.191 4.162 4.350 0.004 0.000 0.197 1234 E C -0.215 176.397 176.600 0.021 0.000 0.998 1234 E CA 1.226 57.637 56.400 0.019 0.000 0.830 1234 E CB 0.229 29.938 29.700 0.016 0.000 0.751 1234 E HN 0.197 nan 8.360 nan 0.000 0.491 1235 K N 0.577 120.993 120.400 0.025 0.000 2.535 1235 K HA 0.355 4.678 4.320 0.004 0.000 0.250 1235 K C -1.148 175.474 176.600 0.037 0.000 0.948 1235 K CA -0.583 55.721 56.287 0.029 0.000 0.796 1235 K CB 1.921 34.438 32.500 0.029 0.000 1.216 1235 K HN 0.014 nan 8.250 nan 0.000 0.432 1236 L N 4.347 125.594 121.223 0.040 0.000 2.371 1236 L HA 0.542 4.884 4.340 0.004 0.000 0.272 1236 L C -0.137 176.766 176.870 0.055 0.000 1.124 1236 L CA -0.476 54.395 54.840 0.051 0.000 0.816 1236 L CB 0.236 42.321 42.059 0.044 0.000 1.129 1236 L HN 0.468 nan 8.230 nan 0.000 0.448 1237 I N 3.356 123.968 120.570 0.071 0.000 2.692 1237 I HA 0.378 4.551 4.170 0.004 0.000 0.293 1237 I C -0.799 175.375 176.117 0.095 0.000 1.200 1237 I CA -0.231 61.110 61.300 0.069 0.000 1.036 1237 I CB 2.816 40.845 38.000 0.047 0.000 1.258 1237 I HN 0.444 nan 8.210 nan 0.000 0.421 1238 I N 5.422 126.049 120.570 0.095 0.000 2.390 1238 I HA 0.423 4.596 4.170 0.004 0.000 0.283 1238 I C -0.354 175.816 176.117 0.088 0.000 1.016 1238 I CA -0.479 60.894 61.300 0.121 0.000 1.151 1238 I CB 1.148 39.221 38.000 0.120 0.000 1.293 1238 I HN 0.423 nan 8.210 nan 0.000 0.458 1239 R N 5.528 126.057 120.500 0.050 0.000 2.255 1239 R HA 0.572 4.915 4.340 0.004 0.000 0.326 1239 R C -0.891 175.430 176.300 0.035 0.000 0.986 1239 R CA -0.471 55.654 56.100 0.041 0.000 0.847 1239 R CB 1.350 31.653 30.300 0.005 0.000 1.111 1239 R HN 0.738 nan 8.270 nan 0.000 0.452 1240 C N 1.049 120.396 119.300 0.078 0.000 2.626 1240 C HA 0.699 5.162 4.460 0.004 0.000 0.310 1240 C C -0.270 174.801 174.990 0.135 0.000 1.191 1240 C CA -1.252 57.819 59.018 0.088 0.000 1.517 1240 C CB 1.743 29.533 27.740 0.083 0.000 2.102 1240 C HN 0.843 nan 8.230 nan 0.000 0.479 1241 R N 1.574 122.194 120.500 0.200 0.000 2.832 1241 R HA 0.835 5.177 4.340 0.004 0.000 0.271 1241 R C -0.621 175.774 176.300 0.157 0.000 0.996 1241 R CA -0.627 55.588 56.100 0.192 0.000 0.977 1241 R CB 2.134 32.563 30.300 0.215 0.000 1.168 1241 R HN 0.730 nan 8.270 nan 0.000 0.482 1242 V N 0.814 120.800 119.914 0.121 0.000 2.997 1242 V HA 0.535 4.658 4.120 0.004 0.000 0.311 1242 V C 0.111 176.255 176.094 0.082 0.000 1.066 1242 V CA -0.583 61.765 62.300 0.079 0.000 1.039 1242 V CB 1.413 33.276 31.823 0.066 0.000 1.081 1242 V HN 0.513 nan 8.190 nan 0.000 0.467 1255 E N 0.413 120.635 120.200 0.036 0.000 2.484 1255 E HA -0.139 4.213 4.350 0.004 0.000 0.181 1255 E C 0.046 176.663 176.600 0.028 0.000 1.458 1255 E CA 0.683 57.093 56.400 0.017 0.000 0.667 1255 E CB -0.483 29.205 29.700 -0.019 0.000 1.125 1255 E HN 0.658 nan 8.360 nan 0.000 0.384 1256 E N 0.347 120.564 120.200 0.029 0.000 2.481 1256 E HA -0.026 4.327 4.350 0.004 0.000 0.198 1256 E C 0.879 177.391 176.600 -0.146 0.000 1.027 1256 E CA 0.036 56.448 56.400 0.019 0.000 0.900 1256 E CB 0.329 30.111 29.700 0.137 0.000 0.993 1256 E HN 0.378 nan 8.360 nan 0.000 0.482 1257 D N -0.067 120.159 120.400 -0.291 0.000 2.350 1257 D HA -0.087 4.556 4.640 0.004 0.000 0.213 1257 D C 1.314 177.464 176.300 -0.251 0.000 1.031 1257 D CA 0.436 54.109 54.000 -0.545 0.000 0.861 1257 D CB 0.345 40.681 40.800 -0.772 0.000 0.926 1257 D HN 0.239 nan 8.370 nan 0.000 0.520 1258 H N -0.504 118.445 119.070 -0.201 0.000 2.654 1258 H HA 0.151 4.710 4.556 0.004 0.000 0.264 1258 H C 1.551 176.820 175.328 -0.100 0.000 0.954 1258 H CA 0.012 55.980 56.048 -0.132 0.000 1.199 1258 H CB 0.623 30.328 29.762 -0.094 0.000 1.446 1258 H HN 0.110 nan 8.280 nan 0.000 0.516 1259 M N 0.485 120.055 119.600 -0.050 0.000 2.509 1259 M HA 0.025 4.507 4.480 0.004 0.000 0.250 1259 M C 0.746 176.979 176.300 -0.112 0.000 1.132 1259 M CA 0.140 55.400 55.300 -0.067 0.000 1.080 1259 M CB 0.395 32.988 32.600 -0.013 0.000 1.408 1259 M HN 0.070 nan 8.290 nan 0.000 0.484 1260 L N 0.124 121.266 121.223 -0.135 0.000 2.715 1260 L HA 0.185 4.527 4.340 0.004 0.000 0.238 1260 L C 0.891 177.674 176.870 -0.144 0.000 1.212 1260 L CA 0.934 55.696 54.840 -0.129 0.000 1.017 1260 L CB -0.624 41.367 42.059 -0.112 0.000 1.269 1260 L HN 0.155 nan 8.230 nan 0.000 0.452 1261 K N -2.162 118.135 120.400 -0.172 0.000 2.645 1261 K HA 0.132 4.455 4.320 0.004 0.000 0.203 1261 K C 1.709 178.219 176.600 -0.150 0.000 1.653 1261 K CA -0.033 56.156 56.287 -0.164 0.000 1.138 1261 K CB 0.415 32.786 32.500 -0.214 0.000 1.515 1261 K HN 0.031 nan 8.250 nan 0.000 0.592 1262 K N 1.020 121.317 120.400 -0.172 0.000 2.001 1262 K HA -0.107 4.215 4.320 0.004 0.000 0.214 1262 K C 1.627 178.185 176.600 -0.070 0.000 1.050 1262 K CA 1.854 58.074 56.287 -0.111 0.000 0.934 1262 K CB -0.123 32.320 32.500 -0.094 0.000 0.718 1262 K HN 0.149 nan 8.250 nan 0.000 0.443 1263 I N 0.861 121.369 120.570 -0.104 0.000 3.111 1263 I HA -0.139 4.033 4.170 0.004 0.000 0.272 1263 I C 2.215 178.291 176.117 -0.069 0.000 1.268 1263 I CA 0.584 61.808 61.300 -0.127 0.000 1.467 1263 I CB -0.193 37.615 38.000 -0.321 0.000 1.087 1263 I HN 0.216 nan 8.210 nan 0.000 0.467 1264 E N 1.700 121.863 120.200 -0.061 0.000 2.150 1264 E HA -0.216 4.136 4.350 0.004 0.000 0.193 1264 E C 1.846 178.448 176.600 0.003 0.000 0.985 1264 E CA 1.394 57.777 56.400 -0.029 0.000 0.814 1264 E CB -0.156 29.515 29.700 -0.048 0.000 0.752 1264 E HN 0.354 nan 8.360 nan 0.000 0.466 1265 N N -1.101 117.601 118.700 0.003 0.000 2.395 1265 N HA -0.025 4.717 4.740 0.004 0.000 0.175 1265 N C 1.058 176.599 175.510 0.052 0.000 1.029 1265 N CA 1.254 54.314 53.050 0.017 0.000 0.897 1265 N CB 0.181 38.668 38.487 0.001 0.000 0.991 1265 N HN 0.197 nan 8.380 nan 0.000 0.441 1266 T N 1.134 115.745 114.554 0.095 0.000 2.821 1266 T HA 0.038 4.391 4.350 0.004 0.000 0.267 1266 T C 1.655 176.456 174.700 0.168 0.000 1.046 1266 T CA 0.688 62.880 62.100 0.155 0.000 1.139 1266 T CB 0.001 69.050 68.868 0.301 0.000 0.871 1266 T HN 0.234 nan 8.240 nan 0.000 0.454 1267 M N 0.810 120.530 119.600 0.200 0.000 2.747 1267 M HA 0.175 4.658 4.480 0.004 0.000 0.221 1267 M C 0.723 177.066 176.300 0.071 0.000 1.107 1267 M CA 0.722 56.122 55.300 0.168 0.000 1.031 1267 M CB -0.432 32.267 32.600 0.165 0.000 1.727 1267 M HN 0.284 nan 8.290 nan 0.000 0.517 1268 L N -1.543 119.710 121.223 0.049 0.000 3.099 1268 L HA 0.104 4.447 4.340 0.004 0.000 0.165 1268 L C 1.367 178.240 176.870 0.005 0.000 1.151 1268 L CA -0.114 54.737 54.840 0.018 0.000 0.878 1268 L CB -0.010 42.059 42.059 0.017 0.000 1.615 1268 L HN 0.093 nan 8.230 nan 0.000 0.545 1269 E N 0.862 121.072 120.200 0.017 0.000 2.437 1269 E HA 0.132 4.485 4.350 0.004 0.000 0.189 1269 E C -0.220 176.395 176.600 0.025 0.000 1.054 1269 E CA 0.136 56.547 56.400 0.019 0.000 0.874 1269 E CB 0.254 29.967 29.700 0.021 0.000 1.011 1269 E HN 0.329 nan 8.360 nan 0.000 0.474 1270 N N 0.879 119.590 118.700 0.018 0.000 2.390 1270 N HA 0.227 4.970 4.740 0.004 0.000 0.259 1270 N C -1.013 174.486 175.510 -0.018 0.000 1.395 1270 N CA 0.021 53.078 53.050 0.012 0.000 0.852 1270 N CB 1.448 39.946 38.487 0.018 0.000 1.371 1270 N HN 0.142 nan 8.380 nan 0.000 0.491 1271 I N 0.842 121.395 120.570 -0.030 0.000 2.534 1271 I HA 0.307 4.480 4.170 0.004 0.000 0.286 1271 I C -1.057 175.012 176.117 -0.080 0.000 1.094 1271 I CA -0.144 61.117 61.300 -0.064 0.000 1.055 1271 I CB 1.519 39.475 38.000 -0.073 0.000 1.225 1271 I HN -0.192 nan 8.210 nan 0.000 0.435 1272 T N 7.426 121.939 114.554 -0.069 0.000 2.829 1272 T HA 0.398 4.751 4.350 0.004 0.000 0.282 1272 T C 0.612 175.260 174.700 -0.086 0.000 0.990 1272 T CA -0.412 61.638 62.100 -0.083 0.000 1.028 1272 T CB 2.049 70.929 68.868 0.020 0.000 0.951 1272 T HN 0.398 nan 8.240 nan 0.000 0.460 1273 L N 1.691 122.851 121.223 -0.105 0.000 2.296 1273 L HA 0.460 4.803 4.340 0.004 0.000 0.193 1273 L C 1.031 177.861 176.870 -0.067 0.000 1.123 1273 L CA 0.910 55.695 54.840 -0.091 0.000 0.805 1273 L CB -0.060 41.939 42.059 -0.101 0.000 1.004 1273 L HN 0.486 nan 8.230 nan 0.000 0.478 1274 R N -0.706 119.760 120.500 -0.057 0.000 2.549 1274 R HA 0.533 4.875 4.340 0.004 0.000 0.291 1274 R C -1.323 174.976 176.300 -0.001 0.000 1.164 1274 R CA 0.131 56.214 56.100 -0.028 0.000 0.973 1274 R CB 1.068 31.347 30.300 -0.036 0.000 1.210 1274 R HN 0.305 nan 8.270 nan 0.000 0.422 1275 G N 1.359 110.184 108.800 0.042 0.000 2.350 1275 G HA2 0.176 4.139 3.960 0.004 0.000 0.305 1275 G HA3 0.176 4.139 3.960 0.004 0.000 0.305 1275 G C -1.705 173.281 174.900 0.143 0.000 1.479 1275 G CA -0.707 44.447 45.100 0.090 0.000 0.949 1275 G HN 0.353 nan 8.290 nan 0.000 0.651 1276 V N 0.600 120.568 119.914 0.090 0.000 2.509 1276 V HA 0.529 4.652 4.120 0.004 0.000 0.284 1276 V C 0.841 176.845 176.094 -0.150 0.000 1.047 1276 V CA -0.413 61.889 62.300 0.004 0.000 0.952 1276 V CB 1.281 33.093 31.823 -0.019 0.000 0.988 1276 V HN 1.029 nan 8.190 nan 0.000 0.469 1277 E N 4.302 124.285 120.200 -0.362 0.000 2.392 1277 E HA 0.155 4.507 4.350 0.004 0.000 0.264 1277 E C 0.268 176.590 176.600 -0.463 0.000 1.024 1277 E CA -0.164 55.703 56.400 -0.889 0.000 0.903 1277 E CB 0.258 29.617 29.700 -0.569 0.000 0.963 1277 E HN 0.664 nan 8.360 nan 0.000 0.432 1278 N N 1.153 119.593 118.700 -0.434 0.000 2.962 1278 N HA -0.174 4.568 4.740 0.004 0.000 0.206 1278 N C -0.472 174.989 175.510 -0.082 0.000 0.907 1278 N CA 1.258 54.208 53.050 -0.166 0.000 1.029 1278 N CB -1.247 37.166 38.487 -0.123 0.000 1.009 1278 N HN 0.645 nan 8.380 nan 0.000 0.587 1279 I N 2.444 122.969 120.570 -0.074 0.000 2.257 1279 I HA 0.103 4.275 4.170 0.004 0.000 0.290 1279 I C -0.001 176.152 176.117 0.061 0.000 1.137 1279 I CA 0.013 61.314 61.300 0.001 0.000 1.255 1279 I CB 0.050 38.053 38.000 0.005 0.000 1.485 1279 I HN -0.037 nan 8.210 nan 0.000 0.534 1280 E N 5.385 125.616 120.200 0.053 0.000 2.231 1280 E HA 0.551 4.904 4.350 0.004 0.000 0.277 1280 E C -0.478 176.144 176.600 0.036 0.000 0.999 1280 E CA -0.802 55.635 56.400 0.061 0.000 0.827 1280 E CB 0.977 30.712 29.700 0.058 0.000 1.101 1280 E HN 0.248 nan 8.360 nan 0.000 0.393 1281 R N 0.366 120.884 120.500 0.031 0.000 1.324 1281 R HA -0.147 4.196 4.340 0.004 0.000 0.410 1281 R C -1.600 174.710 176.300 0.017 0.000 1.331 1281 R CA 0.127 56.239 56.100 0.020 0.000 1.209 1281 R CB -0.507 29.804 30.300 0.017 0.000 3.484 1281 R HN 0.345 nan 8.270 nan 0.000 0.489 1282 V N 5.322 125.243 119.914 0.011 0.000 2.447 1282 V HA 0.343 4.466 4.120 0.004 0.000 0.292 1282 V C 0.007 176.101 176.094 0.001 0.000 1.021 1282 V CA -0.742 61.562 62.300 0.006 0.000 0.850 1282 V CB 2.045 33.871 31.823 0.006 0.000 1.005 1282 V HN 0.422 nan 8.190 nan 0.000 0.426 1283 V N 4.888 124.801 119.914 -0.001 0.000 2.532 1283 V HA 0.556 4.679 4.120 0.004 0.000 0.295 1283 V C 0.137 176.225 176.094 -0.010 0.000 1.041 1283 V CA -0.662 61.637 62.300 -0.002 0.000 0.926 1283 V CB 1.657 33.478 31.823 -0.004 0.000 0.992 1283 V HN 0.790 nan 8.190 nan 0.000 0.457 1284 M N 5.074 124.679 119.600 0.009 0.000 2.264 1284 M HA 0.635 5.117 4.480 0.004 0.000 0.352 1284 M C -0.760 175.591 176.300 0.085 0.000 1.173 1284 M CA -0.161 55.175 55.300 0.059 0.000 1.075 1284 M CB 1.589 34.226 32.600 0.062 0.000 1.621 1284 M HN 0.443 nan 8.290 nan 0.000 0.457 1285 M N 2.109 121.690 119.600 -0.033 0.000 2.484 1285 M HA 0.398 4.880 4.480 0.004 0.000 0.289 1285 M C -1.010 174.915 176.300 -0.625 0.000 1.206 1285 M CA -0.709 54.414 55.300 -0.295 0.000 0.892 1285 M CB 2.509 34.851 32.600 -0.430 0.000 1.712 1285 M HN 0.539 nan 8.290 nan 0.000 0.462 1286 K N 2.053 121.982 120.400 -0.784 0.000 2.267 1286 K HA 0.415 4.738 4.320 0.004 0.000 0.282 1286 K C -1.433 174.903 176.600 -0.441 0.000 1.078 1286 K CA -0.034 55.682 56.287 -0.952 0.000 0.903 1286 K CB 0.616 32.469 32.500 -1.078 0.000 1.111 1286 K HN 0.568 nan 8.250 nan 0.000 0.475 1287 Y N 1.631 121.749 120.300 -0.303 0.000 2.376 1287 Y HA 0.109 4.661 4.550 0.004 0.000 0.325 1287 Y C 0.420 176.242 175.900 -0.130 0.000 1.199 1287 Y CA -1.252 56.751 58.100 -0.163 0.000 1.206 1287 Y CB 1.310 39.712 38.460 -0.097 0.000 1.229 1287 Y HN 0.501 nan 8.280 nan 0.000 0.480 1288 D N 2.482 122.944 120.400 0.102 0.000 2.277 1288 D HA 0.225 4.868 4.640 0.004 0.000 0.249 1288 D C -0.560 175.777 176.300 0.062 0.000 1.134 1288 D CA -0.150 53.876 54.000 0.042 0.000 0.863 1288 D CB 0.773 41.583 40.800 0.016 0.000 1.143 1288 D HN 0.350 nan 8.370 nan 0.000 0.458 1289 R N 2.449 122.989 120.500 0.066 0.000 2.534 1289 R HA 0.320 4.663 4.340 0.004 0.000 0.301 1289 R C -0.690 175.655 176.300 0.075 0.000 0.961 1289 R CA -0.742 55.406 56.100 0.080 0.000 0.871 1289 R CB 0.993 31.360 30.300 0.112 0.000 1.170 1289 R HN 0.238 nan 8.270 nan 0.000 0.446 1290 K N 3.115 123.567 120.400 0.086 0.000 2.211 1290 K HA 0.412 4.735 4.320 0.004 0.000 0.275 1290 K C -1.016 175.726 176.600 0.236 0.000 1.024 1290 K CA -0.610 55.760 56.287 0.138 0.000 0.887 1290 K CB 2.043 34.608 32.500 0.108 0.000 1.084 1290 K HN 0.233 nan 8.250 nan 0.000 0.463 1291 V N 4.385 124.429 119.914 0.217 0.000 2.925 1291 V HA 0.252 4.375 4.120 0.004 0.000 0.311 1291 V C -2.503 173.491 176.094 -0.167 0.000 1.104 1291 V CA -2.396 59.961 62.300 0.095 0.000 0.954 1291 V CB 2.353 34.195 31.823 0.032 0.000 1.022 1291 V HN 0.614 nan 8.190 nan 0.000 0.427 1292 P HA 0.063 nan 4.420 nan 0.000 0.259 1292 P C -0.147 176.990 177.300 -0.272 0.000 1.211 1292 P CA 0.686 63.440 63.100 -0.577 0.000 0.810 1292 P CB 0.322 31.749 31.700 -0.455 0.000 0.815 1293 S N 5.704 121.273 115.700 -0.219 0.000 2.600 1293 S HA 0.176 4.649 4.470 0.004 0.000 0.265 1293 S C -0.818 173.720 174.600 -0.105 0.000 1.325 1293 S CA -1.440 56.691 58.200 -0.115 0.000 1.002 1293 S CB -0.130 63.026 63.200 -0.074 0.000 0.921 1293 S HN 0.286 nan 8.310 nan 0.000 0.554 1294 P HA -0.152 nan 4.420 nan 0.000 0.214 1294 P C 1.523 178.792 177.300 -0.050 0.000 1.163 1294 P CA 1.948 65.016 63.100 -0.053 0.000 0.889 1294 P CB -0.715 30.966 31.700 -0.033 0.000 0.790 1295 T N -3.011 111.519 114.554 -0.040 0.000 3.025 1295 T HA 0.102 4.455 4.350 0.004 0.000 0.270 1295 T C 1.475 176.152 174.700 -0.038 0.000 1.126 1295 T CA 1.943 64.027 62.100 -0.027 0.000 1.105 1295 T CB -0.831 68.030 68.868 -0.012 0.000 0.884 1295 T HN 0.369 nan 8.240 nan 0.000 0.522 1296 G N 0.347 109.100 108.800 -0.077 0.000 2.339 1296 G HA2 -0.181 3.782 3.960 0.004 0.000 0.209 1296 G HA3 -0.181 3.782 3.960 0.004 0.000 0.209 1296 G C -0.112 174.706 174.900 -0.137 0.000 1.015 1296 G CA -0.061 44.973 45.100 -0.110 0.000 0.635 1296 G HN 0.651 nan 8.290 nan 0.000 0.499 1297 E N -0.098 120.058 120.200 -0.074 0.000 2.438 1297 E HA 0.372 4.725 4.350 0.004 0.000 0.261 1297 E C -0.466 176.083 176.600 -0.084 0.000 1.103 1297 E CA -0.070 56.312 56.400 -0.030 0.000 0.959 1297 E CB 0.421 30.125 29.700 0.007 0.000 0.958 1297 E HN 0.382 nan 8.360 nan 0.000 0.447 1298 Y N 0.971 121.263 120.300 -0.015 0.000 2.452 1298 Y HA 0.249 4.802 4.550 0.004 0.000 0.348 1298 Y C -0.218 175.677 175.900 -0.007 0.000 0.985 1298 Y CA -0.330 57.762 58.100 -0.013 0.000 1.214 1298 Y CB 0.575 39.029 38.460 -0.011 0.000 1.136 1298 Y HN 0.167 nan 8.280 nan 0.000 0.523 1299 V N 4.421 124.395 119.914 0.101 0.000 2.815 1299 V HA 0.319 4.442 4.120 0.004 0.000 0.314 1299 V C -0.636 175.500 176.094 0.069 0.000 1.064 1299 V CA -1.629 60.709 62.300 0.063 0.000 0.952 1299 V CB 2.191 34.023 31.823 0.016 0.000 1.020 1299 V HN 0.528 nan 8.190 nan 0.000 0.439 1300 K N 2.664 123.093 120.400 0.048 0.000 2.171 1300 K HA 0.271 4.594 4.320 0.004 0.000 0.274 1300 K C -0.202 176.415 176.600 0.028 0.000 1.110 1300 K CA 0.152 56.462 56.287 0.039 0.000 0.952 1300 K CB 0.370 32.885 32.500 0.025 0.000 1.309 1300 K HN 0.571 nan 8.250 nan 0.000 0.414 1301 E N 4.460 124.681 120.200 0.035 0.000 2.073 1301 E HA 0.197 4.550 4.350 0.004 0.000 0.269 1301 E C -2.490 174.127 176.600 0.028 0.000 0.917 1301 E CA -2.500 53.916 56.400 0.027 0.000 0.757 1301 E CB 0.904 30.621 29.700 0.028 0.000 1.111 1301 E HN 0.182 nan 8.360 nan 0.000 0.410 1302 P HA 0.121 nan 4.420 nan 0.000 0.293 1302 P C -1.100 176.169 177.300 -0.051 0.000 1.300 1302 P CA -0.291 62.788 63.100 -0.034 0.000 0.792 1302 P CB 0.894 32.540 31.700 -0.090 0.000 0.925 1303 E N 2.300 122.481 120.200 -0.031 0.000 2.259 1303 E HA 0.385 4.738 4.350 0.004 0.000 0.257 1303 E C -1.168 175.339 176.600 -0.154 0.000 0.998 1303 E CA -0.924 55.477 56.400 0.003 0.000 0.866 1303 E CB 1.006 30.779 29.700 0.123 0.000 1.220 1303 E HN 0.270 nan 8.360 nan 0.000 0.415 1304 W N 0.641 121.916 121.300 -0.041 0.000 2.433 1304 W HA 0.488 5.151 4.660 0.004 0.000 0.315 1304 W C -0.978 175.432 176.519 -0.181 0.000 1.087 1304 W CA -0.394 56.876 57.345 -0.125 0.000 1.205 1304 W CB 1.896 31.306 29.460 -0.084 0.000 1.288 1304 W HN 0.202 nan 8.180 nan 0.000 0.504 1305 V N 5.090 124.944 119.914 -0.101 0.000 2.808 1305 V HA 0.399 4.522 4.120 0.004 0.000 0.308 1305 V C -0.254 175.709 176.094 -0.217 0.000 1.099 1305 V CA -1.165 60.980 62.300 -0.259 0.000 0.920 1305 V CB 1.695 33.188 31.823 -0.551 0.000 1.014 1305 V HN 0.307 nan 8.190 nan 0.000 0.425 1306 L N 3.455 124.611 121.223 -0.111 0.000 2.334 1306 L HA 0.641 4.983 4.340 0.004 0.000 0.277 1306 L C 0.231 177.074 176.870 -0.044 0.000 1.075 1306 L CA -0.423 54.381 54.840 -0.060 0.000 0.804 1306 L CB 0.981 43.030 42.059 -0.017 0.000 1.174 1306 L HN 0.634 nan 8.230 nan 0.000 0.438 1307 E N 0.502 120.688 120.200 -0.024 0.000 2.303 1307 E HA 0.695 5.048 4.350 0.004 0.000 0.254 1307 E C -0.783 175.826 176.600 0.016 0.000 0.979 1307 E CA -0.750 55.660 56.400 0.017 0.000 0.843 1307 E CB 2.247 31.962 29.700 0.025 0.000 1.245 1307 E HN 0.539 nan 8.360 nan 0.000 0.413 1308 T N -0.376 114.192 114.554 0.023 0.000 2.769 1308 T HA 0.209 4.561 4.350 0.004 0.000 0.306 1308 T C -2.041 172.668 174.700 0.015 0.000 1.400 1308 T CA -0.806 61.305 62.100 0.017 0.000 1.007 1308 T CB 1.327 70.207 68.868 0.019 0.000 1.392 1308 T HN 0.311 nan 8.240 nan 0.000 0.500 1309 D N 1.027 121.435 120.400 0.013 0.000 2.481 1309 D HA 0.594 5.236 4.640 0.004 0.000 0.246 1309 D C 0.352 176.656 176.300 0.006 0.000 1.109 1309 D CA 0.518 54.525 54.000 0.011 0.000 0.845 1309 D CB 1.223 42.032 40.800 0.014 0.000 1.160 1309 D HN 1.130 nan 8.370 nan 0.000 0.534 1310 G N 0.317 109.117 108.800 -0.001 0.000 2.629 1310 G HA2 -0.008 3.954 3.960 0.004 0.000 0.686 1310 G HA3 -0.008 3.954 3.960 0.004 0.000 0.686 1310 G C -1.230 173.656 174.900 -0.023 0.000 1.232 1310 G CA -0.977 44.114 45.100 -0.014 0.000 0.803 1310 G HN 0.406 nan 8.290 nan 0.000 0.638 1311 V N 1.668 121.560 119.914 -0.037 0.000 2.604 1311 V HA 0.789 4.912 4.120 0.004 0.000 0.305 1311 V C 0.059 176.123 176.094 -0.049 0.000 1.043 1311 V CA -0.635 61.639 62.300 -0.043 0.000 0.888 1311 V CB 2.078 33.868 31.823 -0.055 0.000 0.995 1311 V HN 0.953 nan 8.190 nan 0.000 0.429 1312 N N 3.038 121.713 118.700 -0.042 0.000 2.604 1312 N HA 0.083 4.826 4.740 0.004 0.000 0.284 1312 N C 0.672 176.165 175.510 -0.027 0.000 1.716 1312 N CA -0.302 52.722 53.050 -0.043 0.000 0.859 1312 N CB 0.688 39.142 38.487 -0.055 0.000 1.403 1312 N HN 0.567 nan 8.380 nan 0.000 0.501 1313 L N 1.223 122.431 121.223 -0.026 0.000 2.103 1313 L HA -0.205 4.138 4.340 0.004 0.000 0.215 1313 L C 2.045 178.912 176.870 -0.005 0.000 1.080 1313 L CA 2.611 57.443 54.840 -0.012 0.000 0.764 1313 L CB -0.910 41.138 42.059 -0.019 0.000 0.890 1313 L HN 0.407 nan 8.230 nan 0.000 0.435 1314 S N -2.013 113.679 115.700 -0.013 0.000 2.440 1314 S HA -0.211 4.262 4.470 0.004 0.000 0.240 1314 S C 1.649 176.246 174.600 -0.005 0.000 1.014 1314 S CA 1.653 59.848 58.200 -0.009 0.000 0.980 1314 S CB -0.397 62.794 63.200 -0.015 0.000 0.775 1314 S HN 0.772 nan 8.310 nan 0.000 0.499 1315 E N -0.062 120.134 120.200 -0.007 0.000 2.406 1315 E HA 0.131 4.483 4.350 0.004 0.000 0.204 1315 E C 1.938 178.541 176.600 0.005 0.000 0.820 1315 E CA 0.545 56.943 56.400 -0.003 0.000 1.136 1315 E CB 0.179 29.871 29.700 -0.013 0.000 1.129 1315 E HN 0.330 nan 8.360 nan 0.000 0.530 1316 V N 2.351 122.269 119.914 0.006 0.000 2.324 1316 V HA -0.348 3.775 4.120 0.004 0.000 0.250 1316 V C 2.554 178.667 176.094 0.031 0.000 1.060 1316 V CA 2.144 64.455 62.300 0.018 0.000 1.042 1316 V CB -0.662 31.173 31.823 0.021 0.000 0.650 1316 V HN 0.332 nan 8.190 nan 0.000 0.450 1317 M N 1.837 121.456 119.600 0.031 0.000 2.108 1317 M HA -0.211 4.272 4.480 0.004 0.000 0.261 1317 M C 2.203 178.523 176.300 0.034 0.000 1.066 1317 M CA 2.652 57.975 55.300 0.040 0.000 1.107 1317 M CB -0.514 32.107 32.600 0.035 0.000 1.356 1317 M HN 0.603 nan 8.290 nan 0.000 0.406 1318 T N -1.701 112.867 114.554 0.024 0.000 3.163 1318 T HA 0.135 4.488 4.350 0.004 0.000 0.260 1318 T C 0.690 175.402 174.700 0.021 0.000 1.156 1318 T CA -0.092 62.020 62.100 0.020 0.000 1.072 1318 T CB -0.878 67.998 68.868 0.013 0.000 0.937 1318 T HN 0.208 nan 8.240 nan 0.000 0.528 1319 V N 3.701 123.630 119.914 0.025 0.000 2.843 1319 V HA 0.267 4.390 4.120 0.004 0.000 0.305 1319 V C -1.969 174.143 176.094 0.031 0.000 1.065 1319 V CA -1.646 60.668 62.300 0.024 0.000 1.116 1319 V CB 1.045 32.883 31.823 0.025 0.000 0.968 1319 V HN 0.365 nan 8.190 nan 0.000 0.487 1320 P HA 0.490 nan 4.420 nan 0.000 0.284 1320 P C 0.596 177.919 177.300 0.039 0.000 1.258 1320 P CA 0.521 63.640 63.100 0.031 0.000 0.824 1320 P CB 1.331 33.042 31.700 0.018 0.000 1.038 1321 G N 1.218 110.055 108.800 0.062 0.000 2.258 1321 G HA2 -0.207 3.756 3.960 0.004 0.000 0.233 1321 G HA3 -0.207 3.756 3.960 0.004 0.000 0.233 1321 G C 0.171 175.142 174.900 0.118 0.000 1.006 1321 G CA 0.238 45.391 45.100 0.088 0.000 0.620 1321 G HN 0.692 nan 8.290 nan 0.000 0.511 1322 I N -1.034 119.593 120.570 0.094 0.000 2.797 1322 I HA 0.727 4.899 4.170 0.004 0.000 0.310 1322 I C -0.306 175.875 176.117 0.108 0.000 0.990 1322 I CA -0.990 60.374 61.300 0.108 0.000 1.228 1322 I CB 1.219 39.278 38.000 0.098 0.000 1.406 1322 I HN -0.074 nan 8.210 nan 0.000 0.534 1323 D N 4.887 125.364 120.400 0.128 0.000 2.393 1323 D HA 0.280 4.923 4.640 0.004 0.000 0.232 1323 D C -1.985 174.373 176.300 0.097 0.000 1.192 1323 D CA -2.137 51.924 54.000 0.103 0.000 0.882 1323 D CB 1.101 41.968 40.800 0.111 0.000 1.038 1323 D HN 0.343 nan 8.370 nan 0.000 0.499 1324 P HA 0.134 nan 4.420 nan 0.000 0.255 1324 P C 0.533 177.863 177.300 0.049 0.000 1.427 1324 P CA 0.079 63.216 63.100 0.063 0.000 0.863 1324 P CB 0.660 32.390 31.700 0.049 0.000 1.444 1325 T N -1.183 113.395 114.554 0.040 0.000 2.958 1325 T HA 0.215 4.568 4.350 0.004 0.000 0.256 1325 T C 1.157 175.855 174.700 -0.002 0.000 0.983 1325 T CA 0.177 62.286 62.100 0.016 0.000 0.924 1325 T CB 0.176 69.044 68.868 -0.000 0.000 1.136 1325 T HN 0.009 nan 8.240 nan 0.000 0.506 1326 R N 0.524 121.021 120.500 -0.004 0.000 2.596 1326 R HA 0.437 4.779 4.340 0.004 0.000 0.369 1326 R C -0.038 176.293 176.300 0.052 0.000 1.042 1326 R CA -0.206 55.840 56.100 -0.089 0.000 1.120 1326 R CB 0.749 30.854 30.300 -0.326 0.000 1.353 1326 R HN 0.325 nan 8.270 nan 0.000 0.564 1327 I N 1.322 121.979 120.570 0.146 0.000 2.588 1327 I HA 0.039 4.212 4.170 0.004 0.000 0.283 1327 I C -0.894 175.389 176.117 0.277 0.000 1.119 1327 I CA 0.074 61.509 61.300 0.225 0.000 1.419 1327 I CB 0.368 38.459 38.000 0.151 0.000 1.394 1327 I HN 0.043 nan 8.210 nan 0.000 0.562 1328 Y N 5.428 125.825 120.300 0.163 0.000 2.562 1328 Y HA 0.504 5.057 4.550 0.004 0.000 0.345 1328 Y C -1.052 174.925 175.900 0.129 0.000 1.045 1328 Y CA -0.576 57.606 58.100 0.138 0.000 1.028 1328 Y CB 2.109 40.661 38.460 0.152 0.000 1.297 1328 Y HN 0.503 nan 8.280 nan 0.000 0.463 1329 T N 3.949 118.008 114.554 -0.826 0.000 2.971 1329 T HA 0.152 4.505 4.350 0.004 0.000 0.304 1329 T C 0.062 174.360 174.700 -0.671 0.000 1.038 1329 T CA -0.915 60.881 62.100 -0.507 0.000 1.007 1329 T CB 0.962 69.676 68.868 -0.256 0.000 1.055 1329 T HN 0.673 nan 8.240 nan 0.000 0.451 1330 N N 0.535 119.092 118.700 -0.238 0.000 2.575 1330 N HA -0.048 4.694 4.740 0.004 0.000 0.192 1330 N C 0.585 176.115 175.510 0.033 0.000 1.200 1330 N CA -0.000 53.041 53.050 -0.015 0.000 0.897 1330 N CB 0.174 38.723 38.487 0.104 0.000 0.990 1330 N HN 0.386 nan 8.380 nan 0.000 0.449 1331 S N 0.505 116.144 115.700 -0.103 0.000 3.681 1331 S HA 0.174 4.646 4.470 0.004 0.000 0.203 1331 S C 0.705 175.170 174.600 -0.225 0.000 1.408 1331 S CA -1.041 57.048 58.200 -0.186 0.000 0.942 1331 S CB -1.331 61.765 63.200 -0.174 0.000 1.437 1331 S HN 0.331 nan 8.310 nan 0.000 0.482 1332 F N 2.138 122.048 119.950 -0.067 0.000 2.184 1332 F HA -0.110 4.419 4.527 0.004 0.000 0.301 1332 F C 1.748 177.546 175.800 -0.003 0.000 1.076 1332 F CA 0.969 58.956 58.000 -0.023 0.000 1.295 1332 F CB -0.586 38.440 39.000 0.043 0.000 1.026 1332 F HN 0.499 nan 8.300 nan 0.000 0.494 1333 I N 1.144 121.267 120.570 -0.745 0.000 2.423 1333 I HA -0.251 3.922 4.170 0.004 0.000 0.254 1333 I C 1.629 177.636 176.117 -0.184 0.000 1.151 1333 I CA 1.894 62.938 61.300 -0.428 0.000 1.421 1333 I CB -0.676 36.989 38.000 -0.558 0.000 1.079 1333 I HN 0.268 nan 8.210 nan 0.000 0.431 1334 D N 0.979 121.272 120.400 -0.178 0.000 2.120 1334 D HA -0.040 4.602 4.640 0.004 0.000 0.202 1334 D C 2.035 178.308 176.300 -0.045 0.000 0.972 1334 D CA 1.108 55.049 54.000 -0.098 0.000 0.837 1334 D CB -0.032 40.707 40.800 -0.102 0.000 0.989 1334 D HN 0.415 nan 8.370 nan 0.000 0.469 1335 I N 1.048 121.600 120.570 -0.031 0.000 3.294 1335 I HA -0.159 4.014 4.170 0.004 0.000 0.287 1335 I C 2.111 178.262 176.117 0.056 0.000 1.328 1335 I CA 0.230 61.544 61.300 0.022 0.000 1.375 1335 I CB -0.180 37.847 38.000 0.046 0.000 1.045 1335 I HN 0.047 nan 8.210 nan 0.000 0.522 1336 M N 0.589 120.213 119.600 0.041 0.000 2.556 1336 M HA -0.024 4.458 4.480 0.004 0.000 0.259 1336 M C 1.950 178.267 176.300 0.029 0.000 1.175 1336 M CA 1.469 56.801 55.300 0.053 0.000 1.202 1336 M CB -0.031 32.607 32.600 0.063 0.000 1.298 1336 M HN 0.154 nan 8.290 nan 0.000 0.492 1337 E N -0.306 119.898 120.200 0.008 0.000 2.265 1337 E HA -0.133 4.219 4.350 0.004 0.000 0.196 1337 E C 1.817 178.421 176.600 0.006 0.000 0.996 1337 E CA 1.151 57.553 56.400 0.002 0.000 0.832 1337 E CB 0.180 29.872 29.700 -0.013 0.000 0.756 1337 E HN 0.355 nan 8.360 nan 0.000 0.491 1338 V N 0.109 120.027 119.914 0.008 0.000 2.788 1338 V HA -0.016 4.107 4.120 0.004 0.000 0.241 1338 V C 1.772 177.878 176.094 0.021 0.000 1.083 1338 V CA 0.599 62.905 62.300 0.011 0.000 1.103 1338 V CB 0.135 31.962 31.823 0.007 0.000 0.800 1338 V HN 0.169 nan 8.190 nan 0.000 0.476 1339 L N 0.471 121.712 121.223 0.030 0.000 2.640 1339 L HA 0.546 4.889 4.340 0.004 0.000 0.230 1339 L C 0.914 177.807 176.870 0.039 0.000 1.123 1339 L CA 0.613 55.475 54.840 0.038 0.000 0.900 1339 L CB 0.170 42.260 42.059 0.052 0.000 1.146 1339 L HN 0.542 nan 8.230 nan 0.000 0.484 1340 G N 0.427 109.250 108.800 0.038 0.000 2.777 1340 G HA2 -0.232 3.731 3.960 0.004 0.000 0.686 1340 G HA3 -0.232 3.731 3.960 0.004 0.000 0.686 1340 G C 0.429 175.360 174.900 0.051 0.000 1.177 1340 G CA -0.149 44.974 45.100 0.039 0.000 0.775 1340 G HN 0.105 nan 8.290 nan 0.000 0.613 1341 I N 0.400 121.001 120.570 0.051 0.000 2.236 1341 I HA -0.188 3.985 4.170 0.004 0.000 0.249 1341 I C 2.356 178.514 176.117 0.069 0.000 1.102 1341 I CA 2.281 63.619 61.300 0.064 0.000 1.365 1341 I CB 0.027 38.062 38.000 0.058 0.000 1.051 1341 I HN 0.737 nan 8.210 nan 0.000 0.420 1342 E N 0.708 120.942 120.200 0.057 0.000 2.204 1342 E HA -0.185 4.168 4.350 0.004 0.000 0.195 1342 E C 2.069 178.708 176.600 0.064 0.000 0.990 1342 E CA 1.258 57.690 56.400 0.054 0.000 0.821 1342 E CB -0.035 29.688 29.700 0.039 0.000 0.750 1342 E HN 0.673 nan 8.360 nan 0.000 0.477 1343 A N 0.355 123.218 122.820 0.071 0.000 1.935 1343 A HA 0.065 4.387 4.320 0.004 0.000 0.214 1343 A C 2.415 180.075 177.584 0.127 0.000 1.178 1343 A CA 1.275 53.366 52.037 0.090 0.000 0.640 1343 A CB -0.669 18.381 19.000 0.083 0.000 0.825 1343 A HN 0.310 nan 8.150 nan 0.000 0.447 1344 G N -0.102 108.773 108.800 0.125 0.000 2.440 1344 G HA2 -0.295 3.668 3.960 0.004 0.000 0.218 1344 G HA3 -0.295 3.668 3.960 0.004 0.000 0.218 1344 G C 1.735 176.742 174.900 0.178 0.000 1.154 1344 G CA 1.091 46.291 45.100 0.167 0.000 0.767 1344 G HN 0.523 nan 8.290 nan 0.000 0.552 1345 R N 0.614 121.193 120.500 0.130 0.000 2.103 1345 R HA -0.120 4.223 4.340 0.004 0.000 0.234 1345 R C 2.943 179.327 176.300 0.139 0.000 1.132 1345 R CA 1.847 58.013 56.100 0.111 0.000 0.925 1345 R CB -0.667 29.680 30.300 0.078 0.000 0.842 1345 R HN 0.278 nan 8.270 nan 0.000 0.430 1346 A N 0.786 123.689 122.820 0.138 0.000 1.884 1346 A HA -0.253 4.070 4.320 0.004 0.000 0.219 1346 A C 2.431 180.162 177.584 0.245 0.000 1.197 1346 A CA 2.480 54.621 52.037 0.173 0.000 0.637 1346 A CB -1.140 17.934 19.000 0.124 0.000 0.827 1346 A HN 0.635 nan 8.150 nan 0.000 0.450 1347 A N -0.717 122.260 122.820 0.261 0.000 1.908 1347 A HA -0.092 4.231 4.320 0.004 0.000 0.218 1347 A C 2.163 179.891 177.584 0.241 0.000 1.181 1347 A CA 1.976 54.231 52.037 0.364 0.000 0.627 1347 A CB -0.689 18.541 19.000 0.384 0.000 0.818 1347 A HN 0.985 nan 8.150 nan 0.000 0.445 1348 L N -1.389 119.900 121.223 0.110 0.000 2.046 1348 L HA -0.166 4.176 4.340 0.004 0.000 0.208 1348 L C 2.280 179.091 176.870 -0.099 0.000 1.077 1348 L CA 2.614 57.324 54.840 -0.216 0.000 0.747 1348 L CB -1.101 40.852 42.059 -0.177 0.000 0.896 1348 L HN 0.536 nan 8.230 nan 0.000 0.432 1349 Y N 0.536 120.816 120.300 -0.033 0.000 2.114 1349 Y HA -0.250 4.303 4.550 0.004 0.000 0.284 1349 Y C 2.697 178.647 175.900 0.083 0.000 1.143 1349 Y CA 2.415 60.524 58.100 0.016 0.000 1.135 1349 Y CB -0.344 38.149 38.460 0.055 0.000 0.980 1349 Y HN 0.239 nan 8.280 nan 0.000 0.499 1350 K N -0.145 120.282 120.400 0.045 0.000 2.152 1350 K HA -0.245 4.078 4.320 0.004 0.000 0.206 1350 K C 1.950 178.566 176.600 0.027 0.000 1.048 1350 K CA 1.742 58.025 56.287 -0.006 0.000 0.933 1350 K CB -0.127 32.433 32.500 0.099 0.000 0.721 1350 K HN 0.270 nan 8.250 nan 0.000 0.447 1351 E N -0.143 120.081 120.200 0.041 0.000 2.216 1351 E HA -0.068 4.285 4.350 0.004 0.000 0.192 1351 E C 1.582 178.142 176.600 -0.066 0.000 0.988 1351 E CA 0.551 56.972 56.400 0.035 0.000 0.834 1351 E CB 0.244 29.949 29.700 0.007 0.000 0.772 1351 E HN 0.076 nan 8.360 nan 0.000 0.479 1352 V N 0.192 120.021 119.914 -0.140 0.000 2.346 1352 V HA -0.188 3.934 4.120 0.004 0.000 0.244 1352 V C 1.972 177.991 176.094 -0.125 0.000 1.037 1352 V CA 1.717 63.934 62.300 -0.138 0.000 1.029 1352 V CB -0.746 30.993 31.823 -0.140 0.000 0.663 1352 V HN 0.350 nan 8.190 nan 0.000 0.454 1353 Y N 2.185 122.276 120.300 -0.347 0.000 2.069 1353 Y HA -0.302 4.251 4.550 0.004 0.000 0.278 1353 Y C 2.457 178.276 175.900 -0.135 0.000 1.175 1353 Y CA 2.240 60.160 58.100 -0.299 0.000 1.134 1353 Y CB -0.596 37.577 38.460 -0.477 0.000 0.965 1353 Y HN 0.273 nan 8.280 nan 0.000 0.498 1354 N N -0.137 118.424 118.700 -0.231 0.000 2.381 1354 N HA -0.135 4.608 4.740 0.004 0.000 0.182 1354 N C 1.854 177.249 175.510 -0.192 0.000 1.025 1354 N CA 1.359 54.250 53.050 -0.266 0.000 0.888 1354 N CB -0.057 38.401 38.487 -0.049 0.000 0.965 1354 N HN 0.337 nan 8.380 nan 0.000 0.438 1355 V N 1.301 121.131 119.914 -0.140 0.000 2.379 1355 V HA -0.088 4.035 4.120 0.004 0.000 0.245 1355 V C 2.159 178.178 176.094 -0.125 0.000 1.044 1355 V CA 1.061 63.300 62.300 -0.102 0.000 1.036 1355 V CB -0.125 31.656 31.823 -0.071 0.000 0.664 1355 V HN 0.197 nan 8.190 nan 0.000 0.453 1356 I N 0.054 120.532 120.570 -0.154 0.000 3.059 1356 I HA -0.031 4.142 4.170 0.004 0.000 0.270 1356 I C 2.227 178.236 176.117 -0.180 0.000 1.238 1356 I CA 0.925 62.144 61.300 -0.134 0.000 1.478 1356 I CB -0.096 37.847 38.000 -0.095 0.000 1.097 1356 I HN 0.271 nan 8.210 nan 0.000 0.455 1357 A N -0.228 122.397 122.820 -0.324 0.000 2.195 1357 A HA -0.037 4.285 4.320 0.004 0.000 0.210 1357 A C 2.320 179.773 177.584 -0.219 0.000 1.165 1357 A CA 0.876 52.689 52.037 -0.373 0.000 0.806 1357 A CB -0.298 18.191 19.000 -0.852 0.000 0.847 1357 A HN 0.433 nan 8.150 nan 0.000 0.482 1358 S N 0.281 115.882 115.700 -0.165 0.000 2.387 1358 S HA -0.147 4.326 4.470 0.004 0.000 0.226 1358 S C 1.252 175.811 174.600 -0.069 0.000 1.026 1358 S CA 1.465 59.608 58.200 -0.095 0.000 0.972 1358 S CB -0.535 62.627 63.200 -0.063 0.000 0.814 1358 S HN 0.390 nan 8.310 nan 0.000 0.477 1359 D N 1.624 121.984 120.400 -0.067 0.000 2.309 1359 D HA 0.183 4.825 4.640 0.004 0.000 0.212 1359 D C 1.508 177.785 176.300 -0.038 0.000 0.968 1359 D CA 1.457 55.431 54.000 -0.043 0.000 0.882 1359 D CB -0.509 40.266 40.800 -0.042 0.000 0.918 1359 D HN 0.680 nan 8.370 nan 0.000 0.503 1360 G N -0.824 107.947 108.800 -0.049 0.000 2.157 1360 G HA2 -0.271 3.691 3.960 0.004 0.000 0.248 1360 G HA3 -0.271 3.691 3.960 0.004 0.000 0.248 1360 G C 0.313 175.212 174.900 -0.002 0.000 0.979 1360 G CA 0.308 45.388 45.100 -0.032 0.000 0.650 1360 G HN 0.329 nan 8.290 nan 0.000 0.529 1361 S N -0.190 115.507 115.700 -0.004 0.000 2.562 1361 S HA 0.606 5.078 4.470 0.004 0.000 0.275 1361 S C -0.543 174.113 174.600 0.093 0.000 1.281 1361 S CA -0.408 57.811 58.200 0.032 0.000 1.045 1361 S CB 1.634 64.834 63.200 -0.001 0.000 0.962 1361 S HN 0.758 nan 8.310 nan 0.000 0.503 1362 Y N 2.514 122.817 120.300 0.004 0.000 2.341 1362 Y HA 0.630 5.182 4.550 0.004 0.000 0.338 1362 Y C -1.209 174.741 175.900 0.083 0.000 0.965 1362 Y CA -1.060 57.067 58.100 0.045 0.000 1.108 1362 Y CB 0.726 39.213 38.460 0.045 0.000 1.180 1362 Y HN 0.394 nan 8.280 nan 0.000 0.458 1363 V N 5.880 125.541 119.914 -0.422 0.000 2.604 1363 V HA 0.299 4.421 4.120 0.004 0.000 0.305 1363 V C -0.350 175.440 176.094 -0.508 0.000 1.043 1363 V CA -1.393 60.649 62.300 -0.429 0.000 0.888 1363 V CB 1.758 33.533 31.823 -0.079 0.000 0.995 1363 V HN 0.868 nan 8.190 nan 0.000 0.429 1364 N N 1.480 119.973 118.700 -0.345 0.000 2.454 1364 N HA 0.007 4.749 4.740 0.004 0.000 0.260 1364 N C 1.002 176.556 175.510 0.073 0.000 1.218 1364 N CA -0.106 52.892 53.050 -0.087 0.000 0.904 1364 N CB 0.282 38.741 38.487 -0.046 0.000 1.065 1364 N HN 0.768 nan 8.380 nan 0.000 0.462 1365 Y N 4.875 125.238 120.300 0.106 0.000 2.144 1365 Y HA -0.443 4.110 4.550 0.004 0.000 0.277 1365 Y C 2.000 177.881 175.900 -0.032 0.000 1.229 1365 Y CA 2.381 60.544 58.100 0.105 0.000 1.144 1365 Y CB -0.117 38.382 38.460 0.065 0.000 0.953 1365 Y HN 0.662 nan 8.280 nan 0.000 0.515 1366 R N -1.276 119.079 120.500 -0.242 0.000 2.094 1366 R HA -0.229 4.113 4.340 0.004 0.000 0.239 1366 R C 1.948 178.058 176.300 -0.318 0.000 1.137 1366 R CA 1.846 57.674 56.100 -0.454 0.000 0.943 1366 R CB -1.432 28.522 30.300 -0.577 0.000 0.850 1366 R HN 0.445 nan 8.270 nan 0.000 0.433 1367 H N 0.949 119.991 119.070 -0.046 0.000 2.319 1367 H HA -0.058 4.501 4.556 0.004 0.000 0.299 1367 H C 2.317 177.612 175.328 -0.055 0.000 1.092 1367 H CA 2.030 58.067 56.048 -0.017 0.000 1.302 1367 H CB -0.337 29.415 29.762 -0.016 0.000 1.373 1367 H HN 0.288 nan 8.280 nan 0.000 0.497 1368 M N 0.172 119.810 119.600 0.063 0.000 2.077 1368 M HA -0.038 4.444 4.480 0.004 0.000 0.261 1368 M C 2.851 179.129 176.300 -0.037 0.000 1.070 1368 M CA 1.298 56.628 55.300 0.050 0.000 1.125 1368 M CB -0.387 32.308 32.600 0.159 0.000 1.339 1368 M HN 0.212 nan 8.290 nan 0.000 0.409 1369 A N 0.518 123.180 122.820 -0.262 0.000 1.997 1369 A HA -0.205 4.118 4.320 0.004 0.000 0.221 1369 A C 2.160 179.604 177.584 -0.233 0.000 1.172 1369 A CA 1.664 53.431 52.037 -0.450 0.000 0.645 1369 A CB -0.925 17.366 19.000 -1.181 0.000 0.813 1369 A HN 0.457 nan 8.150 nan 0.000 0.454 1370 L N -0.946 120.179 121.223 -0.164 0.000 2.005 1370 L HA -0.087 4.255 4.340 0.004 0.000 0.207 1370 L C 2.316 179.153 176.870 -0.056 0.000 1.072 1370 L CA 1.999 56.797 54.840 -0.069 0.000 0.744 1370 L CB -0.449 41.620 42.059 0.016 0.000 0.895 1370 L HN 0.410 nan 8.230 nan 0.000 0.433 1371 L N -1.297 119.896 121.223 -0.049 0.000 2.042 1371 L HA -0.151 4.192 4.340 0.004 0.000 0.210 1371 L C 2.314 179.152 176.870 -0.053 0.000 1.076 1371 L CA 1.794 56.597 54.840 -0.062 0.000 0.749 1371 L CB -0.769 41.253 42.059 -0.061 0.000 0.893 1371 L HN 0.094 nan 8.230 nan 0.000 0.432 1372 V N 0.083 119.976 119.914 -0.035 0.000 2.343 1372 V HA -0.277 3.846 4.120 0.004 0.000 0.247 1372 V C 2.288 178.373 176.094 -0.016 0.000 1.051 1372 V CA 2.101 64.392 62.300 -0.014 0.000 1.036 1372 V CB -0.690 31.154 31.823 0.035 0.000 0.654 1372 V HN 0.524 nan 8.190 nan 0.000 0.451 1373 D N -0.224 120.155 120.400 -0.035 0.000 2.117 1373 D HA -0.103 4.539 4.640 0.004 0.000 0.198 1373 D C 2.111 178.400 176.300 -0.019 0.000 0.982 1373 D CA 1.305 55.290 54.000 -0.025 0.000 0.828 1373 D CB -0.156 40.620 40.800 -0.040 0.000 0.967 1373 D HN 0.358 nan 8.370 nan 0.000 0.464 1374 V N 1.080 120.974 119.914 -0.034 0.000 2.594 1374 V HA -0.199 3.924 4.120 0.004 0.000 0.253 1374 V C 2.365 178.454 176.094 -0.008 0.000 1.069 1374 V CA 1.122 63.403 62.300 -0.033 0.000 1.082 1374 V CB -0.478 31.306 31.823 -0.065 0.000 0.680 1374 V HN 0.222 nan 8.190 nan 0.000 0.469 1375 M N 0.330 119.928 119.600 -0.002 0.000 2.492 1375 M HA -0.058 4.425 4.480 0.004 0.000 0.262 1375 M C 2.093 178.423 176.300 0.050 0.000 1.090 1375 M CA 1.724 57.041 55.300 0.028 0.000 1.110 1375 M CB -0.289 32.325 32.600 0.025 0.000 1.407 1375 M HN 0.687 nan 8.290 nan 0.000 0.470 1376 T N -3.762 110.815 114.554 0.039 0.000 3.071 1376 T HA 0.003 4.355 4.350 0.004 0.000 0.239 1376 T C 1.874 176.600 174.700 0.042 0.000 0.997 1376 T CA 0.879 63.009 62.100 0.050 0.000 1.134 1376 T CB -0.731 68.169 68.868 0.053 0.000 0.928 1376 T HN 0.354 nan 8.240 nan 0.000 0.453 1377 T N 1.594 116.165 114.554 0.029 0.000 2.592 1377 T HA -0.362 3.991 4.350 0.004 0.000 0.267 1377 T C 2.062 176.779 174.700 0.029 0.000 1.060 1377 T CA 1.910 64.025 62.100 0.025 0.000 1.167 1377 T CB -1.221 67.646 68.868 -0.000 0.000 0.863 1377 T HN 0.447 nan 8.240 nan 0.000 0.431 1378 Q N 1.140 120.957 119.800 0.028 0.000 2.182 1378 Q HA -0.116 4.226 4.340 0.004 0.000 0.213 1378 Q C 2.235 178.256 176.000 0.036 0.000 1.000 1378 Q CA 2.018 57.840 55.803 0.031 0.000 0.889 1378 Q CB -0.547 28.213 28.738 0.037 0.000 0.932 1378 Q HN 0.915 nan 8.270 nan 0.000 0.415 1379 G N -2.337 106.488 108.800 0.041 0.000 3.675 1379 G HA2 -0.099 3.863 3.960 0.004 0.000 0.206 1379 G HA3 -0.099 3.863 3.960 0.004 0.000 0.206 1379 G C 0.364 175.292 174.900 0.047 0.000 1.086 1379 G CA 0.037 45.162 45.100 0.042 0.000 0.894 1379 G HN 0.563 nan 8.290 nan 0.000 0.412 1380 G N -0.253 108.578 108.800 0.051 0.000 3.441 1380 G HA2 0.578 4.541 3.960 0.004 0.000 0.195 1380 G HA3 0.578 4.541 3.960 0.004 0.000 0.195 1380 G C -0.357 174.588 174.900 0.075 0.000 1.633 1380 G CA -0.288 44.846 45.100 0.057 0.000 0.895 1380 G HN 0.619 nan 8.290 nan 0.000 0.654 1381 L N 1.942 123.215 121.223 0.084 0.000 2.480 1381 L HA 0.284 4.627 4.340 0.004 0.000 0.253 1381 L C -0.480 176.456 176.870 0.110 0.000 1.324 1381 L CA -0.505 54.403 54.840 0.113 0.000 0.916 1381 L CB 1.372 43.521 42.059 0.149 0.000 1.160 1381 L HN 0.289 nan 8.230 nan 0.000 0.503 1382 T N 0.265 114.878 114.554 0.098 0.000 2.765 1382 T HA 0.077 4.430 4.350 0.004 0.000 0.284 1382 T C 0.852 175.629 174.700 0.129 0.000 0.946 1382 T CA -0.140 62.025 62.100 0.109 0.000 1.185 1382 T CB 0.410 69.340 68.868 0.102 0.000 0.887 1382 T HN 0.597 nan 8.240 nan 0.000 0.532 1383 S N 2.234 118.025 115.700 0.152 0.000 2.576 1383 S HA 0.137 4.609 4.470 0.004 0.000 0.272 1383 S C 0.616 175.334 174.600 0.197 0.000 1.352 1383 S CA -0.956 57.345 58.200 0.168 0.000 1.021 1383 S CB 0.572 63.886 63.200 0.190 0.000 0.887 1383 S HN 0.450 nan 8.310 nan 0.000 0.542 1384 V N 2.562 122.562 119.914 0.145 0.000 3.021 1384 V HA 0.274 4.397 4.120 0.004 0.000 0.385 1384 V C 0.282 176.502 176.094 0.209 0.000 1.303 1384 V CA -0.081 62.278 62.300 0.099 0.000 1.471 1384 V CB -1.349 30.416 31.823 -0.096 0.000 1.419 1384 V HN 1.003 nan 8.190 nan 0.000 0.551 1385 T N -0.759 113.995 114.554 0.333 0.000 2.831 1385 T HA 0.315 4.668 4.350 0.004 0.000 0.287 1385 T C 1.117 176.008 174.700 0.319 0.000 1.070 1385 T CA -0.629 61.679 62.100 0.346 0.000 1.010 1385 T CB 2.368 71.390 68.868 0.256 0.000 1.264 1385 T HN 0.254 nan 8.240 nan 0.000 0.532 1386 R N 0.270 120.913 120.500 0.238 0.000 2.191 1386 R HA -0.272 4.071 4.340 0.004 0.000 0.248 1386 R C 1.893 178.116 176.300 -0.128 0.000 1.127 1386 R CA 2.532 58.623 56.100 -0.016 0.000 0.943 1386 R CB -0.663 29.451 30.300 -0.310 0.000 0.891 1386 R HN 0.682 nan 8.270 nan 0.000 0.439 1387 H N -1.208 117.909 119.070 0.078 0.000 2.457 1387 H HA -0.040 4.518 4.556 0.004 0.000 0.297 1387 H C 1.700 177.050 175.328 0.036 0.000 1.092 1387 H CA 1.161 57.236 56.048 0.044 0.000 1.309 1387 H CB -0.399 29.395 29.762 0.055 0.000 1.382 1387 H HN 0.523 nan 8.280 nan 0.000 0.535 1388 G N 0.907 109.806 108.800 0.165 0.000 2.908 1388 G HA2 0.003 3.966 3.960 0.004 0.000 0.188 1388 G HA3 0.003 3.966 3.960 0.004 0.000 0.188 1388 G C 1.270 176.221 174.900 0.085 0.000 1.903 1388 G CA 0.259 45.453 45.100 0.156 0.000 0.883 1388 G HN 0.371 nan 8.290 nan 0.000 0.515 1389 F N 1.017 120.968 119.950 0.003 0.000 2.373 1389 F HA -0.002 4.527 4.527 0.004 0.000 0.300 1389 F C 1.654 177.433 175.800 -0.034 0.000 1.080 1389 F CA 1.398 59.376 58.000 -0.037 0.000 1.417 1389 F CB -0.326 38.616 39.000 -0.096 0.000 1.070 1389 F HN 0.178 nan 8.300 nan 0.000 0.546 1390 N N 0.868 119.043 118.700 -0.875 0.000 2.398 1390 N HA -0.019 4.724 4.740 0.004 0.000 0.188 1390 N C 1.617 176.957 175.510 -0.284 0.000 1.122 1390 N CA 0.391 53.001 53.050 -0.734 0.000 0.866 1390 N CB -0.173 37.953 38.487 -0.601 0.000 0.970 1390 N HN 0.640 nan 8.380 nan 0.000 0.462 1391 R N -1.006 119.392 120.500 -0.170 0.000 2.308 1391 R HA 0.237 4.580 4.340 0.004 0.000 0.202 1391 R C 0.624 176.888 176.300 -0.060 0.000 0.898 1391 R CA -0.102 55.946 56.100 -0.086 0.000 1.046 1391 R CB -0.149 30.131 30.300 -0.033 0.000 1.026 1391 R HN 0.083 nan 8.270 nan 0.000 0.512 1392 S N 0.652 116.320 115.700 -0.054 0.000 2.641 1392 S HA 0.055 4.528 4.470 0.004 0.000 0.251 1392 S C 0.559 175.143 174.600 -0.027 0.000 1.332 1392 S CA -0.435 57.755 58.200 -0.018 0.000 0.968 1392 S CB 0.297 63.506 63.200 0.015 0.000 0.987 1392 S HN 0.275 nan 8.310 nan 0.000 0.587 1393 N N 0.979 119.672 118.700 -0.011 0.000 2.421 1393 N HA 0.092 4.835 4.740 0.004 0.000 0.201 1393 N C -0.205 175.297 175.510 -0.015 0.000 1.198 1393 N CA 0.140 53.181 53.050 -0.015 0.000 0.838 1393 N CB -0.432 38.052 38.487 -0.005 0.000 1.011 1393 N HN 0.571 nan 8.380 nan 0.000 0.463 1394 T N -0.235 114.310 114.554 -0.015 0.000 2.802 1394 T HA 0.185 4.538 4.350 0.004 0.000 0.305 1394 T C 1.152 175.838 174.700 -0.023 0.000 1.053 1394 T CA -0.400 61.695 62.100 -0.008 0.000 1.058 1394 T CB 0.778 69.649 68.868 0.004 0.000 0.988 1394 T HN 0.182 nan 8.240 nan 0.000 0.539 1395 G N -0.226 108.568 108.800 -0.010 0.000 2.559 1395 G HA2 0.336 4.299 3.960 0.004 0.000 0.235 1395 G HA3 0.336 4.299 3.960 0.004 0.000 0.235 1395 G C 1.195 176.065 174.900 -0.050 0.000 1.266 1395 G CA -0.217 44.876 45.100 -0.012 0.000 0.847 1395 G HN 0.890 nan 8.290 nan 0.000 0.583 1396 A N 1.838 124.596 122.820 -0.102 0.000 1.873 1396 A HA -0.111 4.212 4.320 0.004 0.000 0.218 1396 A C 2.405 179.901 177.584 -0.146 0.000 1.193 1396 A CA 1.574 53.466 52.037 -0.242 0.000 0.629 1396 A CB -0.476 18.136 19.000 -0.648 0.000 0.826 1396 A HN 0.603 nan 8.150 nan 0.000 0.447 1397 L N -1.032 120.172 121.223 -0.032 0.000 2.362 1397 L HA -0.116 4.227 4.340 0.004 0.000 0.219 1397 L C 2.697 179.576 176.870 0.014 0.000 1.134 1397 L CA 0.729 55.582 54.840 0.022 0.000 0.807 1397 L CB -0.250 41.864 42.059 0.092 0.000 0.927 1397 L HN 0.457 nan 8.230 nan 0.000 0.447 1398 M N -0.198 119.406 119.600 0.007 0.000 2.160 1398 M HA -0.110 4.372 4.480 0.004 0.000 0.264 1398 M C 2.268 178.584 176.300 0.026 0.000 1.073 1398 M CA 1.682 56.996 55.300 0.022 0.000 1.142 1398 M CB -0.356 32.258 32.600 0.023 0.000 1.358 1398 M HN 0.128 nan 8.290 nan 0.000 0.422 1399 R N -0.583 119.907 120.500 -0.016 0.000 2.237 1399 R HA -0.108 4.235 4.340 0.004 0.000 0.219 1399 R C 2.076 178.371 176.300 -0.009 0.000 1.080 1399 R CA 1.265 57.342 56.100 -0.038 0.000 0.995 1399 R CB -0.572 29.670 30.300 -0.097 0.000 0.875 1399 R HN 0.623 nan 8.270 nan 0.000 0.462 1400 C N -0.576 118.713 119.300 -0.019 0.000 2.791 1400 C HA 0.240 4.703 4.460 0.004 0.000 0.270 1400 C C 1.994 176.993 174.990 0.015 0.000 1.257 1400 C CA -0.287 58.714 59.018 -0.028 0.000 1.699 1400 C CB -0.604 27.094 27.740 -0.070 0.000 1.904 1400 C HN 0.302 nan 8.230 nan 0.000 0.603 1401 S N -1.052 114.689 115.700 0.068 0.000 2.605 1401 S HA 0.311 4.783 4.470 0.004 0.000 0.217 1401 S C -0.238 174.471 174.600 0.183 0.000 0.958 1401 S CA -0.301 57.956 58.200 0.094 0.000 0.919 1401 S CB -0.528 62.726 63.200 0.090 0.000 0.780 1401 S HN 0.706 nan 8.310 nan 0.000 0.507 1402 F N 1.642 121.589 119.950 -0.006 0.000 2.585 1402 F HA 0.463 4.993 4.527 0.004 0.000 0.319 1402 F C 0.378 176.168 175.800 -0.017 0.000 1.165 1402 F CA -0.823 57.188 58.000 0.018 0.000 0.949 1402 F CB 0.989 40.028 39.000 0.065 0.000 1.218 1402 F HN 0.169 nan 8.300 nan 0.000 0.453 1403 E N 1.777 121.565 120.200 -0.687 0.000 3.383 1403 E HA -0.357 3.995 4.350 0.004 0.000 0.447 1403 E C -0.332 176.099 176.600 -0.281 0.000 1.596 1403 E CA 1.954 58.009 56.400 -0.575 0.000 1.229 1403 E CB -0.709 28.473 29.700 -0.863 0.000 1.375 1403 E HN 0.774 nan 8.360 nan 0.000 0.443 1404 E N 1.826 121.885 120.200 -0.235 0.000 2.406 1404 E HA -0.007 4.346 4.350 0.004 0.000 0.247 1404 E C 0.296 176.832 176.600 -0.107 0.000 1.160 1404 E CA 0.326 56.645 56.400 -0.136 0.000 0.950 1404 E CB 0.460 30.093 29.700 -0.111 0.000 0.993 1404 E HN 0.276 nan 8.360 nan 0.000 0.472 1405 T N 1.441 115.934 114.554 -0.102 0.000 3.246 1405 T HA -0.053 4.299 4.350 0.004 0.000 0.231 1405 T C 1.791 176.410 174.700 -0.135 0.000 0.986 1405 T CA 0.120 62.160 62.100 -0.099 0.000 1.340 1405 T CB 0.023 68.839 68.868 -0.088 0.000 1.063 1405 T HN 0.256 nan 8.240 nan 0.000 0.427 1406 V N 2.261 122.073 119.914 -0.170 0.000 2.913 1406 V HA -0.056 4.066 4.120 0.004 0.000 0.260 1406 V C 2.304 178.213 176.094 -0.309 0.000 1.098 1406 V CA 1.309 63.407 62.300 -0.337 0.000 1.121 1406 V CB -0.860 30.728 31.823 -0.392 0.000 0.714 1406 V HN 0.496 nan 8.190 nan 0.000 0.487 1407 E N 0.053 120.212 120.200 -0.069 0.000 2.204 1407 E HA -0.075 4.278 4.350 0.004 0.000 0.194 1407 E C 2.078 178.699 176.600 0.035 0.000 0.989 1407 E CA 1.084 57.535 56.400 0.084 0.000 0.824 1407 E CB 0.032 29.759 29.700 0.046 0.000 0.756 1407 E HN 0.605 nan 8.360 nan 0.000 0.477 1408 I N 0.312 120.844 120.570 -0.064 0.000 2.731 1408 I HA -0.145 4.028 4.170 0.004 0.000 0.260 1408 I C 2.236 178.263 176.117 -0.150 0.000 1.138 1408 I CA 0.258 61.497 61.300 -0.102 0.000 1.461 1408 I CB 0.018 37.941 38.000 -0.127 0.000 1.128 1408 I HN 0.056 nan 8.210 nan 0.000 0.438 1409 L N 0.327 121.438 121.223 -0.188 0.000 2.012 1409 L HA -0.251 4.091 4.340 0.004 0.000 0.210 1409 L C 2.537 179.378 176.870 -0.048 0.000 1.073 1409 L CA 1.866 56.577 54.840 -0.214 0.000 0.748 1409 L CB -0.601 41.343 42.059 -0.192 0.000 0.891 1409 L HN 0.138 nan 8.230 nan 0.000 0.431 1410 F N 0.369 120.357 119.950 0.063 0.000 2.027 1410 F HA -0.335 4.195 4.527 0.005 0.000 0.297 1410 F C 2.594 178.407 175.800 0.022 0.000 1.129 1410 F CA 1.565 59.679 58.000 0.191 0.000 1.195 1410 F CB -0.290 38.858 39.000 0.246 0.000 0.960 1410 F HN 0.087 nan 8.300 nan 0.000 0.485 1411 E N 0.124 120.376 120.200 0.087 0.000 2.204 1411 E HA -0.189 4.163 4.350 0.004 0.000 0.195 1411 E C 2.152 178.669 176.600 -0.139 0.000 0.990 1411 E CA 0.732 57.059 56.400 -0.122 0.000 0.821 1411 E CB -0.252 29.366 29.700 -0.136 0.000 0.750 1411 E HN 0.433 nan 8.360 nan 0.000 0.477 1412 A N 0.972 123.697 122.820 -0.158 0.000 1.851 1412 A HA -0.129 4.194 4.320 0.004 0.000 0.216 1412 A C 2.447 179.978 177.584 -0.089 0.000 1.195 1412 A CA 1.793 53.655 52.037 -0.291 0.000 0.622 1412 A CB -1.218 17.329 19.000 -0.755 0.000 0.831 1412 A HN 0.379 nan 8.150 nan 0.000 0.444 1413 G N -1.197 107.667 108.800 0.106 0.000 2.484 1413 G HA2 0.164 4.126 3.960 0.004 0.000 0.218 1413 G HA3 0.164 4.126 3.960 0.004 0.000 0.218 1413 G C 1.508 176.520 174.900 0.187 0.000 1.130 1413 G CA 1.124 46.379 45.100 0.259 0.000 0.784 1413 G HN 0.802 nan 8.290 nan 0.000 0.543 1414 A N 0.831 123.717 122.820 0.109 0.000 2.066 1414 A HA 0.175 4.498 4.320 0.004 0.000 0.218 1414 A C 2.186 179.622 177.584 -0.247 0.000 1.157 1414 A CA 1.821 53.857 52.037 -0.002 0.000 0.670 1414 A CB -0.144 18.655 19.000 -0.335 0.000 0.804 1414 A HN 0.724 nan 8.150 nan 0.000 0.453 1415 S N -2.027 113.534 115.700 -0.233 0.000 2.741 1415 S HA 0.533 5.006 4.470 0.004 0.000 0.247 1415 S C 0.563 175.102 174.600 -0.102 0.000 1.050 1415 S CA 0.627 58.640 58.200 -0.312 0.000 1.025 1415 S CB -0.390 62.606 63.200 -0.341 0.000 0.897 1415 S HN 1.864 nan 8.310 nan 0.000 0.508 1416 A N 0.894 123.726 122.820 0.021 0.000 2.312 1416 A HA -0.193 4.130 4.320 0.004 0.000 0.286 1416 A C 0.282 177.918 177.584 0.086 0.000 1.425 1416 A CA 1.044 53.155 52.037 0.123 0.000 0.748 1416 A CB -2.035 17.100 19.000 0.225 0.000 1.126 1416 A HN 0.772 nan 8.150 nan 0.000 0.368 1417 E N -1.357 118.884 120.200 0.068 0.000 2.345 1417 E HA 0.547 4.900 4.350 0.004 0.000 0.259 1417 E C -0.242 176.418 176.600 0.100 0.000 1.117 1417 E CA -0.699 55.725 56.400 0.041 0.000 0.913 1417 E CB 0.788 30.456 29.700 -0.054 0.000 1.057 1417 E HN 0.665 nan 8.360 nan 0.000 0.432 1418 L N 1.831 123.095 121.223 0.069 0.000 2.406 1418 L HA 0.271 4.614 4.340 0.004 0.000 0.272 1418 L C -1.114 175.799 176.870 0.072 0.000 0.980 1418 L CA -0.464 54.419 54.840 0.071 0.000 0.831 1418 L CB 1.680 43.761 42.059 0.037 0.000 1.253 1418 L HN 0.337 nan 8.230 nan 0.000 0.406 1419 D N 2.786 123.252 120.400 0.110 0.000 2.295 1419 D HA 0.069 4.712 4.640 0.004 0.000 0.248 1419 D C 0.309 176.637 176.300 0.046 0.000 1.154 1419 D CA 0.064 54.117 54.000 0.088 0.000 0.857 1419 D CB 1.514 42.409 40.800 0.157 0.000 1.117 1419 D HN 0.667 nan 8.370 nan 0.000 0.468 1420 D N 2.199 122.619 120.400 0.033 0.000 2.149 1420 D HA -0.122 4.521 4.640 0.004 0.000 0.201 1420 D C 0.618 176.930 176.300 0.020 0.000 0.972 1420 D CA 0.496 54.511 54.000 0.024 0.000 0.835 1420 D CB 0.062 40.876 40.800 0.023 0.000 0.966 1420 D HN 0.577 nan 8.370 nan 0.000 0.476 1421 C N -0.553 118.761 119.300 0.023 0.000 4.549 1421 C HA -0.155 4.308 4.460 0.004 0.000 0.290 1421 C C 1.420 176.417 174.990 0.011 0.000 1.328 1421 C CA 0.191 59.219 59.018 0.016 0.000 2.002 1421 C CB -2.710 25.035 27.740 0.008 0.000 1.238 1421 C HN 0.407 nan 8.230 nan 0.000 0.780 1422 R N 0.297 120.807 120.500 0.016 0.000 2.334 1422 R HA 0.269 4.612 4.340 0.004 0.000 0.212 1422 R C 1.347 177.655 176.300 0.012 0.000 0.897 1422 R CA 0.668 56.777 56.100 0.015 0.000 1.056 1422 R CB 0.355 30.673 30.300 0.029 0.000 1.046 1422 R HN 0.594 nan 8.270 nan 0.000 0.513 1423 G N 0.013 108.821 108.800 0.014 0.000 2.483 1423 G HA2 0.180 4.143 3.960 0.004 0.000 0.248 1423 G HA3 0.180 4.143 3.960 0.004 0.000 0.248 1423 G C 1.119 176.021 174.900 0.004 0.000 1.248 1423 G CA -0.600 44.507 45.100 0.012 0.000 0.838 1423 G HN -0.085 nan 8.290 nan 0.000 0.566 1424 V N 2.001 121.914 119.914 -0.002 0.000 2.282 1424 V HA -0.232 3.891 4.120 0.004 0.000 0.249 1424 V C 2.981 179.074 176.094 -0.002 0.000 1.057 1424 V CA 2.565 64.860 62.300 -0.009 0.000 1.032 1424 V CB -0.750 31.064 31.823 -0.015 0.000 0.645 1424 V HN 0.713 nan 8.190 nan 0.000 0.447 1425 S N -0.025 115.679 115.700 0.008 0.000 2.383 1425 S HA -0.167 4.306 4.470 0.004 0.000 0.227 1425 S C 1.876 176.486 174.600 0.016 0.000 1.026 1425 S CA 1.405 59.614 58.200 0.015 0.000 0.981 1425 S CB -0.333 62.884 63.200 0.028 0.000 0.818 1425 S HN 0.759 nan 8.310 nan 0.000 0.472 1426 E N 2.604 122.815 120.200 0.017 0.000 2.031 1426 E HA -0.118 4.235 4.350 0.004 0.000 0.193 1426 E C 1.469 178.074 176.600 0.009 0.000 0.994 1426 E CA 0.899 57.312 56.400 0.021 0.000 0.800 1426 E CB -0.756 28.959 29.700 0.024 0.000 0.752 1426 E HN 0.571 nan 8.360 nan 0.000 0.447 1427 N N 0.982 119.682 118.700 0.001 0.000 2.309 1427 N HA -0.074 4.668 4.740 0.004 0.000 0.182 1427 N C 2.035 177.540 175.510 -0.009 0.000 1.018 1427 N CA 0.784 53.830 53.050 -0.008 0.000 0.876 1427 N CB 0.103 38.581 38.487 -0.016 0.000 0.972 1427 N HN -0.001 nan 8.380 nan 0.000 0.434 1428 V N 1.853 121.763 119.914 -0.006 0.000 2.453 1428 V HA -0.109 4.014 4.120 0.004 0.000 0.247 1428 V C 2.239 178.332 176.094 -0.001 0.000 1.048 1428 V CA 1.010 63.307 62.300 -0.005 0.000 1.049 1428 V CB -0.210 31.610 31.823 -0.004 0.000 0.672 1428 V HN 0.198 nan 8.190 nan 0.000 0.457 1429 I N -0.501 120.072 120.570 0.005 0.000 2.394 1429 I HA -0.200 3.972 4.170 0.004 0.000 0.251 1429 I C 1.875 177.993 176.117 0.001 0.000 1.136 1429 I CA 1.488 62.793 61.300 0.007 0.000 1.425 1429 I CB -0.079 37.932 38.000 0.017 0.000 1.079 1429 I HN 0.249 nan 8.210 nan 0.000 0.425 1430 L N 0.419 121.640 121.223 -0.003 0.000 2.591 1430 L HA 0.193 4.536 4.340 0.004 0.000 0.228 1430 L C 1.416 178.280 176.870 -0.011 0.000 1.133 1430 L CA 0.247 55.082 54.840 -0.009 0.000 0.880 1430 L CB -0.371 41.680 42.059 -0.013 0.000 1.033 1430 L HN 0.438 nan 8.230 nan 0.000 0.450 1431 G N 0.521 109.316 108.800 -0.008 0.000 2.258 1431 G HA2 -0.302 3.660 3.960 0.004 0.000 0.274 1431 G HA3 -0.302 3.660 3.960 0.004 0.000 0.274 1431 G C 0.151 175.044 174.900 -0.012 0.000 1.021 1431 G CA 0.331 45.426 45.100 -0.009 0.000 0.798 1431 G HN 0.465 nan 8.290 nan 0.000 0.507 1432 Q N -1.400 118.390 119.800 -0.016 0.000 2.252 1432 Q HA 0.640 4.983 4.340 0.004 0.000 0.256 1432 Q C 0.633 176.617 176.000 -0.028 0.000 1.020 1432 Q CA -1.066 54.724 55.803 -0.021 0.000 0.913 1432 Q CB 1.079 29.805 28.738 -0.021 0.000 1.286 1432 Q HN 0.317 nan 8.270 nan 0.000 0.480 1433 M N 1.818 121.396 119.600 -0.036 0.000 2.350 1433 M HA 0.218 4.700 4.480 0.004 0.000 0.338 1433 M C -0.879 175.387 176.300 -0.057 0.000 1.559 1433 M CA -0.200 55.069 55.300 -0.051 0.000 1.217 1433 M CB 0.072 32.632 32.600 -0.066 0.000 1.808 1433 M HN 0.687 nan 8.290 nan 0.000 0.458 1434 A N 7.596 130.384 122.820 -0.052 0.000 2.454 1434 A HA 0.413 4.736 4.320 0.004 0.000 0.260 1434 A C -2.294 175.248 177.584 -0.071 0.000 1.106 1434 A CA -1.301 50.705 52.037 -0.051 0.000 0.780 1434 A CB -0.501 18.476 19.000 -0.039 0.000 1.044 1434 A HN 0.596 nan 8.150 nan 0.000 0.498 1435 P HA 0.148 nan 4.420 nan 0.000 0.254 1435 P C -0.947 176.296 177.300 -0.094 0.000 1.467 1435 P CA 1.050 64.096 63.100 -0.090 0.000 1.281 1435 P CB -0.466 31.195 31.700 -0.065 0.000 1.754 1436 I N 1.301 121.809 120.570 -0.103 0.000 2.563 1436 I HA 0.297 4.469 4.170 0.004 0.000 0.285 1436 I C 1.213 177.279 176.117 -0.085 0.000 1.123 1436 I CA -0.423 60.824 61.300 -0.089 0.000 1.059 1436 I CB 1.659 39.617 38.000 -0.069 0.000 1.229 1436 I HN 0.420 nan 8.210 nan 0.000 0.442 1437 G N 4.193 112.950 108.800 -0.073 0.000 2.774 1437 G HA2 -0.418 3.544 3.960 0.004 0.000 0.342 1437 G HA3 -0.418 3.544 3.960 0.004 0.000 0.342 1437 G C 1.071 175.976 174.900 0.009 0.000 1.185 1437 G CA 1.251 46.334 45.100 -0.029 0.000 0.956 1437 G HN 0.469 nan 8.290 nan 0.000 0.561 1438 T N 1.498 116.043 114.554 -0.016 0.000 2.751 1438 T HA -0.043 4.310 4.350 0.004 0.000 0.268 1438 T C 1.995 176.461 174.700 -0.389 0.000 1.045 1438 T CA 2.567 64.632 62.100 -0.058 0.000 1.142 1438 T CB -0.612 68.225 68.868 -0.053 0.000 0.851 1438 T HN 1.414 nan 8.240 nan 0.000 0.474 1439 G N -0.537 108.064 108.800 -0.331 0.000 3.605 1439 G HA2 0.465 4.428 3.960 0.004 0.000 0.277 1439 G HA3 0.465 4.428 3.960 0.004 0.000 0.277 1439 G C 0.678 175.355 174.900 -0.372 0.000 1.093 1439 G CA 0.322 45.170 45.100 -0.421 0.000 0.821 1439 G HN 0.481 nan 8.290 nan 0.000 0.532 1440 A N 0.513 123.152 122.820 -0.302 0.000 2.579 1440 A HA 0.675 4.997 4.320 0.004 0.000 0.273 1440 A C 0.002 177.743 177.584 0.262 0.000 1.363 1440 A CA -0.341 51.695 52.037 -0.001 0.000 0.953 1440 A CB -0.943 18.104 19.000 0.079 0.000 1.034 1440 A HN 0.859 nan 8.150 nan 0.000 0.536 1441 F N -4.083 115.903 119.950 0.060 0.000 3.132 1441 F HA 0.526 5.056 4.527 0.004 0.000 0.331 1441 F C -1.668 174.140 175.800 0.015 0.000 1.108 1441 F CA -1.572 56.455 58.000 0.044 0.000 0.858 1441 F CB 0.297 39.330 39.000 0.055 0.000 1.420 1441 F HN -0.128 nan 8.300 nan 0.000 0.454 1442 D N 0.590 121.168 120.400 0.298 0.000 2.299 1442 D HA 0.701 5.344 4.640 0.004 0.000 0.243 1442 D C -1.238 175.237 176.300 0.292 0.000 0.982 1442 D CA -0.303 53.809 54.000 0.186 0.000 0.924 1442 D CB 2.730 43.585 40.800 0.092 0.000 1.238 1442 D HN 0.551 nan 8.370 nan 0.000 0.484 1443 V N 1.279 121.307 119.914 0.190 0.000 2.462 1443 V HA 0.397 4.520 4.120 0.004 0.000 0.288 1443 V C -0.013 176.130 176.094 0.082 0.000 1.020 1443 V CA -0.698 61.692 62.300 0.151 0.000 0.857 1443 V CB 0.938 32.874 31.823 0.189 0.000 1.013 1443 V HN 0.411 nan 8.190 nan 0.000 0.431 1444 M N 4.197 123.830 119.600 0.055 0.000 2.528 1444 M HA 0.688 5.171 4.480 0.004 0.000 0.318 1444 M C -0.800 175.517 176.300 0.029 0.000 1.195 1444 M CA -0.767 54.555 55.300 0.037 0.000 1.000 1444 M CB 1.933 34.549 32.600 0.026 0.000 1.615 1444 M HN 0.373 nan 8.290 nan 0.000 0.469 1445 I N 1.109 121.694 120.570 0.025 0.000 2.396 1445 I HA 0.098 4.270 4.170 0.004 0.000 0.289 1445 I C 0.016 176.138 176.117 0.008 0.000 1.056 1445 I CA -0.060 61.254 61.300 0.022 0.000 1.365 1445 I CB -0.079 37.935 38.000 0.024 0.000 1.407 1445 I HN 0.481 nan 8.210 nan 0.000 0.509 1446 D N 5.584 125.983 120.400 -0.001 0.000 2.338 1446 D HA -0.000 4.642 4.640 0.004 0.000 0.255 1446 D C 1.039 177.318 176.300 -0.035 0.000 1.237 1446 D CA 0.204 54.191 54.000 -0.022 0.000 0.883 1446 D CB 0.818 41.597 40.800 -0.035 0.000 1.087 1446 D HN 0.629 nan 8.370 nan 0.000 0.485 1447 E N 2.696 122.878 120.200 -0.030 0.000 2.106 1447 E HA -0.167 4.186 4.350 0.004 0.000 0.192 1447 E C 0.446 177.012 176.600 -0.057 0.000 0.984 1447 E CA 0.851 57.231 56.400 -0.033 0.000 0.806 1447 E CB 0.328 30.014 29.700 -0.022 0.000 0.750 1447 E HN 0.607 nan 8.360 nan 0.000 0.458 1448 E N -0.408 119.754 120.200 -0.065 0.000 2.437 1448 E HA -0.000 4.353 4.350 0.004 0.000 0.189 1448 E C 0.854 177.375 176.600 -0.132 0.000 1.054 1448 E CA 0.214 56.566 56.400 -0.081 0.000 0.874 1448 E CB 0.495 30.160 29.700 -0.058 0.000 1.011 1448 E HN 0.120 nan 8.360 nan 0.000 0.474 1449 S N -0.881 114.712 115.700 -0.178 0.000 2.733 1449 S HA 0.107 4.579 4.470 0.004 0.000 0.247 1449 S C 1.237 175.516 174.600 -0.536 0.000 1.043 1449 S CA -0.417 57.580 58.200 -0.338 0.000 1.066 1449 S CB 0.252 63.300 63.200 -0.255 0.000 1.045 1449 S HN 0.175 nan 8.310 nan 0.000 0.586 1450 L N 1.270 122.331 121.223 -0.271 0.000 2.357 1450 L HA 0.410 4.753 4.340 0.004 0.000 0.211 1450 L C 1.982 178.781 176.870 -0.118 0.000 1.075 1450 L CA 0.794 55.539 54.840 -0.158 0.000 0.830 1450 L CB 0.010 42.050 42.059 -0.031 0.000 0.996 1450 L HN 0.191 nan 8.230 nan 0.000 0.467 1451 V N -0.099 119.744 119.914 -0.118 0.000 2.626 1451 V HA -0.235 3.888 4.120 0.004 0.000 0.252 1451 V C 2.240 178.292 176.094 -0.069 0.000 1.067 1451 V CA 1.699 63.959 62.300 -0.068 0.000 1.081 1451 V CB -0.778 31.010 31.823 -0.058 0.000 0.686 1451 V HN 0.422 nan 8.190 nan 0.000 0.468 1452 K N -1.046 119.261 120.400 -0.154 0.000 2.365 1452 K HA 0.027 4.349 4.320 0.004 0.000 0.197 1452 K C 1.319 177.946 176.600 0.046 0.000 1.042 1452 K CA 0.759 56.984 56.287 -0.103 0.000 0.987 1452 K CB -0.060 32.329 32.500 -0.186 0.000 0.779 1452 K HN 0.527 nan 8.250 nan 0.000 0.484 1453 Y N 1.355 121.657 120.300 0.003 0.000 2.547 1453 Y HA 0.115 4.668 4.550 0.004 0.000 0.325 1453 Y C 0.490 176.392 175.900 0.004 0.000 1.165 1453 Y CA -0.832 57.270 58.100 0.004 0.000 1.300 1453 Y CB -0.163 38.300 38.460 0.005 0.000 1.126 1453 Y HN 0.076 nan 8.280 nan 0.000 0.513 1454 M N 0.350 120.035 119.600 0.143 0.000 2.253 1454 M HA 0.599 5.081 4.480 0.004 0.000 0.314 1454 M C -2.645 173.691 176.300 0.060 0.000 1.019 1454 M CA -1.946 53.404 55.300 0.084 0.000 0.932 1454 M CB 1.225 33.859 32.600 0.058 0.000 1.606 1454 M HN -0.180 nan 8.290 nan 0.000 0.430 1455 P HA 0.000 nan 4.420 nan 0.000 0.216 1455 P CA 0.000 63.120 63.100 0.033 0.000 0.800 1455 P CB 0.000 31.714 31.700 0.024 0.000 0.726