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 2eac_1_A DATA FIRST_RESID 10 DATA SEQUENCE DGDTSKDDWL WYKQPASQTD ATATAGGNYG NPDNNRWQQT TLPFGNGKIG DATA SEQUENCE GTVWGEVSRE RVTFNEETLW TGGPGSSTSY NGGNNETKGQ NGATLRALNK DATA SEQUENCE QLANGAETVN PGNLTGGENA AEQGNYLNWG DIYLDYGFND TTVTEYRRDL DATA SEQUENCE NLSKGKADVT FKHDGVTYTR EYFASNPDNV MVARLTASKA GKLNFNVSMP DATA SEQUENCE TNTNYSKTGE TTTVKGDTLT VKGALGNNGL LYNSQIKVVL DNXXGTLSEG DATA SEQUENCE SDGASLKVSD AKAVTLYIAA ATDYKQKYPS YRTGETAAEV NTRVAKVVQD DATA SEQUENCE AANKGYTAVK KAHIDDHSAI YDRVKIDLGQ SGHSSDGAVA TDALLKAYQR DATA SEQUENCE GSATTAQKRE LETLVYKYGR YLTIGSSREN SQLPSNLQGI WSVTAGDNAH DATA SEQUENCE GNTPWGSDFH MNVNLQMNYW PTYSANMGEL AEPLIEYVEG LVKPGRVTAK DATA SEQUENCE VYAGAETTNP ETTPIGEGEG YMAHTENTAY GWTAPGQSFS WGWSPAAVPW DATA SEQUENCE ILQNVYEAYE YSGDPALLDR VYALLKEESH FYVNYMLHKA GSSSGDRLTT DATA SEQUENCE GVAYSPEQGP LGTDGNTYES SLVWQMLNDA IEAAKAKGDP DGLVGNTTDc DATA SEQUENCE SADNWAKNDS GNFTDANANR SWScAKSLLK PIEVGDSGQI KEWYFEGALG DATA SEQUENCE KKKDGSTISG YQADNQHRHM SHLLGLFPGD LITIDNSEYM DAAKTSLRYR DATA SEQUENCE CFKGNVLQSN TGWAIGQRIN SWARTGDGNT TYQLVELQLK NAMYANLFDY DATA SEQUENCE HAPFQIDGNF GNTSGVDEML LQSNSTFTDT AGKKYVNYTN ILPALPDAWA DATA SEQUENCE GGSVSGLVAR GNFTVGTTWK NGKATEVRLT SNKGKQAAVK ITAGGAQNYE DATA SEQUENCE VKNXXXXVNA KVVTNADGAS LLVFDTTAGT TYTITKK 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 10 D HA 0.000 nan 4.640 nan 0.000 0.175 10 D C 0.000 176.320 176.300 0.033 0.000 2.045 10 D CA 0.000 54.019 54.000 0.032 0.000 0.868 10 D CB 0.000 40.825 40.800 0.042 0.000 0.688 11 G N 1.404 110.221 108.800 0.030 0.000 2.525 11 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.248 11 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.248 11 G C -0.552 174.365 174.900 0.029 0.000 1.238 11 G CA 0.095 45.209 45.100 0.024 0.000 0.926 11 G HN 0.249 nan 8.290 nan 0.000 0.574 12 D N 1.094 121.506 120.400 0.020 0.000 2.352 12 D HA 0.479 5.118 4.640 -0.001 0.000 0.245 12 D C 1.671 177.989 176.300 0.031 0.000 1.224 12 D CA 0.781 54.788 54.000 0.012 0.000 0.879 12 D CB 0.460 41.257 40.800 -0.005 0.000 1.057 12 D HN 0.840 nan 8.370 nan 0.000 0.491 13 T N -0.585 114.000 114.554 0.051 0.000 3.092 13 T HA 0.009 4.359 4.350 -0.001 0.000 0.258 13 T C 1.676 176.387 174.700 0.018 0.000 1.031 13 T CA 0.282 62.447 62.100 0.107 0.000 0.925 13 T CB -0.209 68.822 68.868 0.271 0.000 1.036 13 T HN 0.227 nan 8.240 nan 0.000 0.544 14 S N 1.603 117.256 115.700 -0.079 0.000 2.442 14 S HA -0.050 4.420 4.470 -0.001 0.000 0.236 14 S C 1.667 176.091 174.600 -0.292 0.000 1.007 14 S CA 0.618 58.668 58.200 -0.251 0.000 0.965 14 S CB -0.375 62.694 63.200 -0.218 0.000 0.773 14 S HN 0.400 nan 8.310 nan 0.000 0.504 15 K N 1.245 121.573 120.400 -0.121 0.000 2.374 15 K HA 0.306 4.626 4.320 -0.001 0.000 0.196 15 K C -0.431 176.177 176.600 0.013 0.000 1.023 15 K CA -0.023 56.216 56.287 -0.079 0.000 1.103 15 K CB 0.088 32.567 32.500 -0.035 0.000 0.848 15 K HN 0.387 nan 8.250 nan 0.000 0.528 16 D N 1.334 121.782 120.400 0.080 0.000 2.344 16 D HA 0.037 4.677 4.640 -0.001 0.000 0.244 16 D C -0.447 175.985 176.300 0.219 0.000 1.134 16 D CA 0.087 54.199 54.000 0.187 0.000 0.930 16 D CB 0.674 41.645 40.800 0.285 0.000 1.175 16 D HN -0.002 nan 8.370 nan 0.000 0.437 17 D N 0.985 121.553 120.400 0.281 0.000 2.249 17 D HA 0.191 4.831 4.640 -0.001 0.000 0.246 17 D C -0.332 176.208 176.300 0.399 0.000 1.114 17 D CA -0.086 54.093 54.000 0.298 0.000 0.854 17 D CB 0.619 41.608 40.800 0.316 0.000 1.132 17 D HN 0.181 nan 8.370 nan 0.000 0.461 18 W N 2.004 123.324 121.300 0.032 0.000 2.785 18 W HA 0.354 5.014 4.660 -0.001 0.000 0.333 18 W C -0.719 175.800 176.519 -0.001 0.000 1.062 18 W CA -0.844 56.451 57.345 -0.083 0.000 1.233 18 W CB 0.712 29.998 29.460 -0.290 0.000 1.413 18 W HN 0.086 nan 8.180 nan 0.000 0.489 19 L N 4.886 126.162 121.223 0.089 0.000 2.292 19 L HA 0.500 4.839 4.340 -0.001 0.000 0.284 19 L C -0.051 176.841 176.870 0.036 0.000 1.065 19 L CA -0.459 54.349 54.840 -0.054 0.000 0.806 19 L CB 0.220 42.174 42.059 -0.175 0.000 1.175 19 L HN 0.434 nan 8.230 nan 0.000 0.431 20 W N 3.445 124.454 121.300 -0.484 0.000 3.213 20 W HA 0.601 5.261 4.660 -0.001 0.000 0.318 20 W C -2.352 173.704 176.519 -0.772 0.000 1.248 20 W CA -1.099 56.025 57.345 -0.369 0.000 1.187 20 W CB 0.755 30.219 29.460 0.006 0.000 1.403 20 W HN 0.374 nan 8.180 nan 0.000 0.556 21 Y N 1.212 121.598 120.300 0.144 0.000 2.504 21 Y HA 0.310 4.859 4.550 -0.001 0.000 0.344 21 Y C 0.860 176.894 175.900 0.223 0.000 1.023 21 Y CA -1.197 56.907 58.100 0.007 0.000 1.020 21 Y CB 2.821 41.269 38.460 -0.019 0.000 1.282 21 Y HN 0.353 nan 8.280 nan 0.000 0.454 22 K N 1.861 122.422 120.400 0.269 0.000 2.437 22 K HA 0.105 4.425 4.320 -0.001 0.000 0.198 22 K C -0.275 176.501 176.600 0.293 0.000 1.024 22 K CA 0.053 56.545 56.287 0.342 0.000 1.148 22 K CB 0.271 32.902 32.500 0.219 0.000 0.860 22 K HN 0.580 nan 8.250 nan 0.000 0.515 23 Q N -0.675 119.242 119.800 0.194 0.000 2.522 23 Q HA 0.360 4.699 4.340 -0.001 0.000 0.285 23 Q C -3.389 172.470 176.000 -0.234 0.000 0.982 23 Q CA -2.682 52.974 55.803 -0.246 0.000 0.805 23 Q CB 1.040 29.683 28.738 -0.158 0.000 1.457 23 Q HN -0.255 nan 8.270 nan 0.000 0.394 24 P HA 0.088 nan 4.420 nan 0.000 0.271 24 P C 0.398 177.641 177.300 -0.094 0.000 1.238 24 P CA 0.851 63.858 63.100 -0.154 0.000 0.794 24 P CB 0.328 31.922 31.700 -0.177 0.000 0.959 25 A N 1.442 124.231 122.820 -0.053 0.000 1.948 25 A HA -0.224 4.096 4.320 -0.001 0.000 0.220 25 A C 2.147 179.700 177.584 -0.053 0.000 1.177 25 A CA 2.548 54.479 52.037 -0.177 0.000 0.636 25 A CB -1.961 16.791 19.000 -0.412 0.000 0.815 25 A HN 0.638 nan 8.150 nan 0.000 0.449 26 S N -0.698 115.063 115.700 0.102 0.000 2.442 26 S HA -0.173 4.297 4.470 -0.001 0.000 0.236 26 S C 1.459 176.050 174.600 -0.015 0.000 1.007 26 S CA 1.348 59.599 58.200 0.084 0.000 0.965 26 S CB -0.354 62.900 63.200 0.090 0.000 0.773 26 S HN 0.734 nan 8.310 nan 0.000 0.504 27 Q N 0.691 120.452 119.800 -0.065 0.000 2.219 27 Q HA 0.232 4.572 4.340 -0.001 0.000 0.209 27 Q C -0.439 175.509 176.000 -0.086 0.000 0.854 27 Q CA -0.030 55.725 55.803 -0.080 0.000 0.960 27 Q CB 0.731 29.402 28.738 -0.111 0.000 1.116 27 Q HN 0.389 nan 8.270 nan 0.000 0.500 28 T N 1.464 115.952 114.554 -0.110 0.000 2.882 28 T HA 0.037 4.386 4.350 -0.001 0.000 0.287 28 T C -0.215 174.411 174.700 -0.123 0.000 0.992 28 T CA -0.588 61.435 62.100 -0.129 0.000 1.076 28 T CB 1.156 69.885 68.868 -0.232 0.000 0.961 28 T HN 0.054 nan 8.240 nan 0.000 0.490 29 D N 1.977 122.320 120.400 -0.094 0.000 2.502 29 D HA 0.094 4.733 4.640 -0.001 0.000 0.249 29 D C 0.016 176.237 176.300 -0.132 0.000 1.188 29 D CA -0.010 53.938 54.000 -0.086 0.000 0.890 29 D CB 0.420 41.190 40.800 -0.051 0.000 1.140 29 D HN 0.639 nan 8.370 nan 0.000 0.505 30 A N 2.992 125.729 122.820 -0.137 0.000 2.705 30 A HA 0.155 4.475 4.320 -0.001 0.000 0.294 30 A C 1.182 178.666 177.584 -0.166 0.000 1.039 30 A CA -0.163 51.752 52.037 -0.204 0.000 1.005 30 A CB -0.119 18.757 19.000 -0.207 0.000 1.192 30 A HN 0.538 nan 8.150 nan 0.000 0.513 31 T N -2.946 111.545 114.554 -0.106 0.000 3.107 31 T HA 0.491 4.840 4.350 -0.001 0.000 0.249 31 T C 0.913 175.581 174.700 -0.053 0.000 1.096 31 T CA 0.595 62.656 62.100 -0.065 0.000 1.012 31 T CB -0.128 68.721 68.868 -0.032 0.000 0.977 31 T HN 0.650 nan 8.240 nan 0.000 0.527 32 A N 1.817 124.595 122.820 -0.070 0.000 2.346 32 A HA 0.521 4.840 4.320 -0.001 0.000 0.252 32 A C 0.672 178.200 177.584 -0.094 0.000 1.089 32 A CA -0.499 51.517 52.037 -0.035 0.000 0.797 32 A CB -0.277 18.756 19.000 0.054 0.000 1.047 32 A HN 0.389 nan 8.150 nan 0.000 0.494 33 T N 1.623 116.127 114.554 -0.082 0.000 2.866 33 T HA 0.256 4.605 4.350 -0.001 0.000 0.293 33 T C 1.539 176.197 174.700 -0.070 0.000 1.005 33 T CA 0.487 62.561 62.100 -0.043 0.000 1.162 33 T CB 0.680 69.572 68.868 0.040 0.000 0.968 33 T HN 0.895 nan 8.240 nan 0.000 0.530 34 A N 3.607 126.410 122.820 -0.028 0.000 1.872 34 A HA 0.477 4.796 4.320 -0.001 0.000 0.214 34 A C 1.515 179.139 177.584 0.067 0.000 1.187 34 A CA 0.959 52.982 52.037 -0.022 0.000 0.614 34 A CB -1.118 17.901 19.000 0.031 0.000 0.826 34 A HN 1.738 nan 8.150 nan 0.000 0.442 35 G N -2.662 106.209 108.800 0.119 0.000 2.756 35 G HA2 0.345 4.305 3.960 -0.001 0.000 0.678 35 G HA3 0.345 4.305 3.960 -0.001 0.000 0.678 35 G C 0.401 175.400 174.900 0.166 0.000 1.349 35 G CA -0.318 44.882 45.100 0.167 0.000 0.847 35 G HN 1.531 nan 8.290 nan 0.000 0.548 36 G N -0.895 107.959 108.800 0.090 0.000 2.391 36 G HA2 0.470 4.429 3.960 -0.001 0.000 0.234 36 G HA3 0.470 4.429 3.960 -0.001 0.000 0.234 36 G C 0.810 175.730 174.900 0.033 0.000 1.284 36 G CA 1.125 46.221 45.100 -0.006 0.000 0.873 36 G HN 1.990 nan 8.290 nan 0.000 0.549 37 N N -0.990 117.677 118.700 -0.055 0.000 2.936 37 N HA -0.222 4.517 4.740 -0.001 0.000 0.236 37 N C -0.123 175.241 175.510 -0.244 0.000 0.930 37 N CA 1.550 54.496 53.050 -0.173 0.000 0.966 37 N CB -1.101 37.209 38.487 -0.294 0.000 1.090 37 N HN 0.622 nan 8.380 nan 0.000 0.592 38 Y N -0.678 119.619 120.300 -0.005 0.000 2.736 38 Y HA 0.456 5.006 4.550 -0.001 0.000 0.293 38 Y C 1.728 177.635 175.900 0.011 0.000 1.062 38 Y CA -0.218 57.897 58.100 0.024 0.000 1.247 38 Y CB 0.572 39.068 38.460 0.060 0.000 1.200 38 Y HN 0.183 nan 8.280 nan 0.000 0.552 39 G N 0.127 108.973 108.800 0.076 0.000 2.422 39 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.218 39 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.218 39 G C 0.771 175.697 174.900 0.043 0.000 1.140 39 G CA 0.099 45.228 45.100 0.049 0.000 0.775 39 G HN 0.268 nan 8.290 nan 0.000 0.545 40 N N 1.183 119.903 118.700 0.034 0.000 2.431 40 N HA 0.159 4.898 4.740 -0.001 0.000 0.265 40 N C -1.487 174.070 175.510 0.079 0.000 1.184 40 N CA -1.945 51.126 53.050 0.036 0.000 0.943 40 N CB 1.692 40.184 38.487 0.008 0.000 1.080 40 N HN -0.122 nan 8.380 nan 0.000 0.477 41 P HA -0.129 nan 4.420 nan 0.000 0.217 41 P C 0.617 177.986 177.300 0.115 0.000 1.148 41 P CA 1.123 64.266 63.100 0.072 0.000 0.828 41 P CB 0.309 32.036 31.700 0.045 0.000 0.783 42 D N -1.485 118.993 120.400 0.130 0.000 2.117 42 D HA -0.131 4.508 4.640 -0.001 0.000 0.198 42 D C 1.721 178.214 176.300 0.322 0.000 0.982 42 D CA 1.050 55.173 54.000 0.206 0.000 0.828 42 D CB -0.448 40.441 40.800 0.148 0.000 0.967 42 D HN -0.062 nan 8.370 nan 0.000 0.464 43 N N 0.269 119.131 118.700 0.270 0.000 2.142 43 N HA -0.162 4.578 4.740 -0.001 0.000 0.186 43 N C 1.517 177.370 175.510 0.572 0.000 1.023 43 N CA 0.835 54.114 53.050 0.380 0.000 0.852 43 N CB -0.713 37.870 38.487 0.159 0.000 0.998 43 N HN 0.251 nan 8.380 nan 0.000 0.424 44 N N 1.134 120.076 118.700 0.403 0.000 2.104 44 N HA -0.165 4.574 4.740 -0.001 0.000 0.190 44 N C 1.704 177.211 175.510 -0.006 0.000 1.024 44 N CA 1.019 54.176 53.050 0.179 0.000 0.853 44 N CB -0.037 38.492 38.487 0.069 0.000 1.008 44 N HN 0.080 nan 8.380 nan 0.000 0.424 45 R N -0.714 119.828 120.500 0.071 0.000 2.081 45 R HA -0.125 4.215 4.340 -0.001 0.000 0.235 45 R C 2.008 178.228 176.300 -0.133 0.000 1.131 45 R CA 1.646 57.733 56.100 -0.022 0.000 0.960 45 R CB -0.987 29.390 30.300 0.129 0.000 0.856 45 R HN 0.535 nan 8.270 nan 0.000 0.436 46 W N 1.855 123.100 121.300 -0.091 0.000 2.317 46 W HA -0.311 4.348 4.660 -0.001 0.000 0.318 46 W C 2.107 178.437 176.519 -0.315 0.000 1.227 46 W CA 2.421 59.574 57.345 -0.320 0.000 1.269 46 W CB -0.490 29.012 29.460 0.071 0.000 1.155 46 W HN 0.408 nan 8.180 nan 0.000 0.484 47 Q N -0.577 119.112 119.800 -0.185 0.000 2.291 47 Q HA -0.193 4.147 4.340 -0.001 0.000 0.205 47 Q C 1.897 177.543 176.000 -0.590 0.000 0.970 47 Q CA 1.698 57.193 55.803 -0.513 0.000 0.876 47 Q CB -0.649 28.015 28.738 -0.122 0.000 0.935 47 Q HN 0.501 nan 8.270 nan 0.000 0.455 48 Q N 0.354 119.739 119.800 -0.692 0.000 2.376 48 Q HA 0.008 4.347 4.340 -0.001 0.000 0.206 48 Q C 1.231 176.895 176.000 -0.561 0.000 0.921 48 Q CA 1.527 56.887 55.803 -0.738 0.000 0.911 48 Q CB 0.829 29.057 28.738 -0.850 0.000 1.032 48 Q HN 0.666 nan 8.270 nan 0.000 0.510 49 T N -3.585 110.561 114.554 -0.679 0.000 2.969 49 T HA 0.046 4.396 4.350 -0.001 0.000 0.258 49 T C 0.945 175.132 174.700 -0.856 0.000 0.962 49 T CA 0.212 61.892 62.100 -0.701 0.000 0.903 49 T CB 0.222 68.751 68.868 -0.564 0.000 1.177 49 T HN 0.161 nan 8.240 nan 0.000 0.511 50 T N 1.306 115.255 114.554 -1.009 0.000 2.874 50 T HA 0.706 5.055 4.350 -0.001 0.000 0.281 50 T C -0.281 173.912 174.700 -0.845 0.000 0.994 50 T CA -0.857 60.670 62.100 -0.956 0.000 1.015 50 T CB 0.979 69.160 68.868 -1.144 0.000 1.028 50 T HN 0.285 nan 8.240 nan 0.000 0.523 51 L N 2.682 123.565 121.223 -0.566 0.000 2.325 51 L HA 0.499 4.839 4.340 -0.001 0.000 0.281 51 L C -2.338 174.374 176.870 -0.263 0.000 1.004 51 L CA -2.353 52.225 54.840 -0.437 0.000 0.823 51 L CB 2.302 44.199 42.059 -0.269 0.000 1.236 51 L HN 0.545 nan 8.230 nan 0.000 0.415 52 P HA 0.499 nan 4.420 nan 0.000 0.290 52 P C -1.346 176.034 177.300 0.134 0.000 1.275 52 P CA -0.428 62.421 63.100 -0.417 0.000 0.841 52 P CB 1.490 32.450 31.700 -1.234 0.000 1.042 53 F N -1.038 119.048 119.950 0.227 0.000 2.662 53 F HA 0.906 5.432 4.527 -0.001 0.000 0.312 53 F C -0.671 175.503 175.800 0.624 0.000 1.113 53 F CA -0.784 57.479 58.000 0.438 0.000 0.951 53 F CB 1.435 40.638 39.000 0.338 0.000 1.344 53 F HN 0.654 nan 8.300 nan 0.000 0.462 54 G N 0.815 109.903 108.800 0.481 0.000 2.495 54 G HA2 0.367 4.326 3.960 -0.001 0.000 0.294 54 G HA3 0.367 4.326 3.960 -0.001 0.000 0.294 54 G C -1.922 173.126 174.900 0.247 0.000 1.397 54 G CA -0.648 44.588 45.100 0.227 0.000 0.790 54 G HN 1.159 nan 8.290 nan 0.000 0.486 55 N N -1.145 117.636 118.700 0.134 0.000 2.351 55 N HA 0.390 5.130 4.740 -0.001 0.000 0.254 55 N C 1.291 176.852 175.510 0.085 0.000 1.241 55 N CA 0.702 53.850 53.050 0.164 0.000 0.883 55 N CB 0.917 39.516 38.487 0.188 0.000 1.202 55 N HN 2.049 nan 8.380 nan 0.000 0.512 56 G N 0.426 109.236 108.800 0.017 0.000 2.253 56 G HA2 -0.368 3.591 3.960 -0.001 0.000 0.251 56 G HA3 -0.368 3.591 3.960 -0.001 0.000 0.251 56 G C 0.839 175.701 174.900 -0.063 0.000 0.998 56 G CA 0.824 45.906 45.100 -0.029 0.000 0.621 56 G HN 0.491 nan 8.290 nan 0.000 0.524 57 K N -0.498 119.871 120.400 -0.053 0.000 2.509 57 K HA 0.398 4.718 4.320 -0.001 0.000 0.205 57 K C 1.308 177.838 176.600 -0.115 0.000 1.336 57 K CA 0.600 56.860 56.287 -0.045 0.000 0.912 57 K CB 0.470 32.984 32.500 0.022 0.000 1.568 57 K HN 0.592 nan 8.250 nan 0.000 0.475 58 I N -0.713 119.777 120.570 -0.134 0.000 2.577 58 I HA 0.676 4.846 4.170 -0.001 0.000 0.305 58 I C -0.209 175.688 176.117 -0.365 0.000 0.986 58 I CA -0.870 60.244 61.300 -0.310 0.000 1.189 58 I CB 1.905 39.775 38.000 -0.218 0.000 1.355 58 I HN 0.037 nan 8.210 nan 0.000 0.476 59 G N 1.786 110.231 108.800 -0.592 0.000 2.690 59 G HA2 0.691 4.651 3.960 -0.001 0.000 0.293 59 G HA3 0.691 4.651 3.960 -0.001 0.000 0.293 59 G C -1.290 173.296 174.900 -0.523 0.000 1.399 59 G CA -0.717 44.096 45.100 -0.477 0.000 0.890 59 G HN 1.035 nan 8.290 nan 0.000 0.485 60 G N -0.775 107.608 108.800 -0.695 0.000 2.574 60 G HA2 0.753 4.712 3.960 -0.001 0.000 0.299 60 G HA3 0.753 4.712 3.960 -0.001 0.000 0.299 60 G C -0.748 174.102 174.900 -0.085 0.000 1.298 60 G CA -0.503 44.320 45.100 -0.462 0.000 0.952 60 G HN 1.064 nan 8.290 nan 0.000 0.477 61 T N -1.169 113.497 114.554 0.187 0.000 2.906 61 T HA 0.522 4.872 4.350 -0.001 0.000 0.302 61 T C -0.522 174.260 174.700 0.136 0.000 1.002 61 T CA -0.563 61.626 62.100 0.149 0.000 0.988 61 T CB 1.465 70.501 68.868 0.281 0.000 0.972 61 T HN 0.417 nan 8.240 nan 0.000 0.447 62 V N 3.883 123.810 119.914 0.021 0.000 2.432 62 V HA 0.201 4.321 4.120 -0.001 0.000 0.275 62 V C 0.571 176.665 176.094 -0.001 0.000 1.043 62 V CA -0.594 61.696 62.300 -0.017 0.000 0.925 62 V CB 1.117 32.877 31.823 -0.105 0.000 0.985 62 V HN 0.938 nan 8.190 nan 0.000 0.466 63 W N 2.967 124.221 121.300 -0.077 0.000 2.539 63 W HA 0.148 4.808 4.660 -0.001 0.000 0.281 63 W C 1.612 178.125 176.519 -0.011 0.000 1.220 63 W CA 0.984 58.295 57.345 -0.057 0.000 1.332 63 W CB 0.285 29.733 29.460 -0.020 0.000 1.095 63 W HN 0.933 nan 8.180 nan 0.000 0.571 64 G N 2.064 111.032 108.800 0.279 0.000 2.198 64 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.257 64 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.257 64 G C -0.081 175.003 174.900 0.307 0.000 1.042 64 G CA -0.025 45.258 45.100 0.304 0.000 0.791 64 G HN 0.099 nan 8.290 nan 0.000 0.502 65 E N -0.445 119.883 120.200 0.215 0.000 2.383 65 E HA 0.335 4.685 4.350 -0.001 0.000 0.264 65 E C 1.805 178.401 176.600 -0.006 0.000 1.050 65 E CA -0.134 56.316 56.400 0.083 0.000 0.896 65 E CB 1.303 31.026 29.700 0.039 0.000 0.982 65 E HN 0.086 nan 8.360 nan 0.000 0.424 66 V N 2.076 121.883 119.914 -0.179 0.000 2.223 66 V HA -0.246 3.873 4.120 -0.001 0.000 0.244 66 V C 2.154 178.101 176.094 -0.245 0.000 1.045 66 V CA 2.410 64.420 62.300 -0.483 0.000 1.000 66 V CB -0.395 31.091 31.823 -0.563 0.000 0.635 66 V HN 0.671 nan 8.190 nan 0.000 0.445 67 S N -1.105 114.528 115.700 -0.112 0.000 2.370 67 S HA 0.061 4.530 4.470 -0.001 0.000 0.214 67 S C 1.450 176.008 174.600 -0.069 0.000 1.033 67 S CA 0.082 58.217 58.200 -0.109 0.000 0.941 67 S CB -0.031 63.152 63.200 -0.028 0.000 0.886 67 S HN 0.436 nan 8.310 nan 0.000 0.521 68 R N 2.000 122.487 120.500 -0.021 0.000 2.825 68 R HA 0.252 4.592 4.340 -0.001 0.000 0.261 68 R C -0.657 175.698 176.300 0.091 0.000 1.341 68 R CA -0.242 55.885 56.100 0.046 0.000 1.353 68 R CB 0.197 30.497 30.300 -0.001 0.000 1.191 68 R HN 0.269 nan 8.270 nan 0.000 0.590 69 E N 2.435 122.712 120.200 0.128 0.000 2.404 69 E HA 0.023 4.372 4.350 -0.001 0.000 0.261 69 E C -0.905 175.747 176.600 0.088 0.000 1.074 69 E CA 0.097 56.572 56.400 0.125 0.000 0.917 69 E CB 0.690 30.496 29.700 0.176 0.000 0.965 69 E HN 0.461 nan 8.360 nan 0.000 0.433 70 R N 2.743 123.244 120.500 0.002 0.000 2.533 70 R HA 0.460 4.800 4.340 -0.001 0.000 0.288 70 R C -1.887 174.396 176.300 -0.030 0.000 1.039 70 R CA -0.729 55.228 56.100 -0.239 0.000 0.909 70 R CB 1.409 31.361 30.300 -0.581 0.000 1.195 70 R HN 0.397 nan 8.270 nan 0.000 0.438 71 V N 3.720 123.578 119.914 -0.092 0.000 2.349 71 V HA 0.248 4.367 4.120 -0.001 0.000 0.284 71 V C -0.001 176.168 176.094 0.124 0.000 1.014 71 V CA -0.698 61.627 62.300 0.042 0.000 0.826 71 V CB 1.573 33.370 31.823 -0.044 0.000 1.009 71 V HN 0.802 nan 8.190 nan 0.000 0.431 72 T N 5.961 120.710 114.554 0.324 0.000 2.867 72 T HA 0.257 4.607 4.350 -0.001 0.000 0.297 72 T C -0.500 174.357 174.700 0.262 0.000 0.989 72 T CA 0.637 62.919 62.100 0.305 0.000 1.159 72 T CB -0.009 69.162 68.868 0.504 0.000 0.928 72 T HN 0.421 nan 8.240 nan 0.000 0.538 73 F N 4.041 124.019 119.950 0.046 0.000 2.469 73 F HA 0.519 5.045 4.527 -0.001 0.000 0.332 73 F C 0.094 175.893 175.800 -0.002 0.000 1.103 73 F CA -0.876 57.111 58.000 -0.022 0.000 0.979 73 F CB 1.147 40.083 39.000 -0.107 0.000 1.137 73 F HN 0.425 nan 8.300 nan 0.000 0.463 74 N N 3.716 121.905 118.700 -0.851 0.000 2.242 74 N HA 0.232 4.972 4.740 -0.001 0.000 0.292 74 N C -1.857 173.196 175.510 -0.761 0.000 1.125 74 N CA -0.622 52.112 53.050 -0.526 0.000 0.783 74 N CB 2.474 40.801 38.487 -0.268 0.000 1.558 74 N HN 0.587 nan 8.380 nan 0.000 0.472 75 E N 1.223 121.294 120.200 -0.216 0.000 2.272 75 E HA 0.085 4.435 4.350 -0.001 0.000 0.269 75 E C 0.250 176.952 176.600 0.169 0.000 0.877 75 E CA -0.225 56.140 56.400 -0.057 0.000 0.755 75 E CB 1.757 31.521 29.700 0.106 0.000 1.192 75 E HN 0.705 nan 8.360 nan 0.000 0.422 76 E N 1.312 121.586 120.200 0.122 0.000 2.267 76 E HA -0.181 4.168 4.350 -0.001 0.000 0.197 76 E C 0.978 177.758 176.600 0.300 0.000 0.998 76 E CA 1.769 58.272 56.400 0.172 0.000 0.830 76 E CB -0.146 29.561 29.700 0.011 0.000 0.751 76 E HN 0.403 nan 8.360 nan 0.000 0.491 77 T N -1.321 113.374 114.554 0.236 0.000 3.105 77 T HA 0.188 4.538 4.350 -0.001 0.000 0.253 77 T C 0.452 175.296 174.700 0.239 0.000 1.047 77 T CA -0.563 61.607 62.100 0.116 0.000 0.944 77 T CB 0.053 68.920 68.868 -0.002 0.000 1.016 77 T HN 0.068 nan 8.240 nan 0.000 0.544 78 L N 2.339 123.699 121.223 0.227 0.000 2.395 78 L HA 0.490 4.829 4.340 -0.001 0.000 0.268 78 L C -1.332 175.465 176.870 -0.121 0.000 1.223 78 L CA -0.569 54.259 54.840 -0.021 0.000 1.093 78 L CB -0.745 41.182 42.059 -0.219 0.000 1.349 78 L HN 0.375 nan 8.230 nan 0.000 0.427 79 W N 3.374 124.629 121.300 -0.074 0.000 2.538 79 W HA 0.473 5.132 4.660 -0.001 0.000 0.322 79 W C 0.482 177.042 176.519 0.069 0.000 1.028 79 W CA -0.466 56.868 57.345 -0.018 0.000 1.228 79 W CB 1.742 31.155 29.460 -0.078 0.000 1.356 79 W HN 0.502 nan 8.180 nan 0.000 0.452 80 T N 0.996 115.629 114.554 0.133 0.000 2.754 80 T HA 0.786 5.136 4.350 -0.001 0.000 0.286 80 T C 0.676 175.493 174.700 0.195 0.000 0.997 80 T CA 0.503 62.648 62.100 0.074 0.000 0.982 80 T CB 1.115 69.936 68.868 -0.078 0.000 1.027 80 T HN 1.254 nan 8.240 nan 0.000 0.529 81 G N -1.071 107.707 108.800 -0.037 0.000 2.631 81 G HA2 0.431 4.391 3.960 -0.001 0.000 0.504 81 G HA3 0.431 4.391 3.960 -0.001 0.000 0.504 81 G C 0.237 174.757 174.900 -0.634 0.000 1.306 81 G CA -0.046 44.958 45.100 -0.159 0.000 0.897 81 G HN 2.664 nan 8.290 nan 0.000 0.520 82 G N -0.898 107.371 108.800 -0.884 0.000 2.681 82 G HA2 0.270 4.229 3.960 -0.001 0.000 0.220 82 G HA3 0.270 4.229 3.960 -0.001 0.000 0.220 82 G C -2.285 171.735 174.900 -1.466 0.000 1.353 82 G CA 0.518 44.593 45.100 -1.708 0.000 0.872 82 G HN 1.546 nan 8.290 nan 0.000 0.557 83 P HA 0.347 nan 4.420 nan 0.000 0.265 83 P C 1.078 178.217 177.300 -0.269 0.000 1.193 83 P CA 2.005 64.890 63.100 -0.359 0.000 0.765 83 P CB 0.618 32.272 31.700 -0.076 0.000 0.823 84 G N 2.572 111.299 108.800 -0.122 0.000 2.217 84 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.246 84 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.246 84 G C 1.086 175.936 174.900 -0.085 0.000 0.990 84 G CA 0.480 45.528 45.100 -0.086 0.000 0.627 84 G HN 0.630 nan 8.290 nan 0.000 0.522 85 S N -0.449 115.174 115.700 -0.129 0.000 2.527 85 S HA 0.507 4.977 4.470 -0.001 0.000 0.222 85 S C 1.002 175.612 174.600 0.016 0.000 0.985 85 S CA 1.430 59.586 58.200 -0.073 0.000 0.921 85 S CB 0.025 63.151 63.200 -0.123 0.000 0.772 85 S HN 2.189 nan 8.310 nan 0.000 0.529 86 S N -0.024 115.709 115.700 0.055 0.000 2.643 86 S HA 0.469 4.938 4.470 -0.001 0.000 0.270 86 S C 0.331 174.982 174.600 0.085 0.000 1.166 86 S CA -0.050 58.203 58.200 0.088 0.000 0.815 86 S CB 0.800 64.086 63.200 0.143 0.000 1.139 86 S HN 0.329 nan 8.310 nan 0.000 0.472 87 T N -1.494 113.105 114.554 0.075 0.000 3.129 87 T HA 0.226 4.575 4.350 -0.001 0.000 0.251 87 T C 1.015 175.762 174.700 0.078 0.000 1.117 87 T CA 0.688 62.827 62.100 0.064 0.000 1.034 87 T CB -0.584 68.311 68.868 0.044 0.000 0.968 87 T HN 1.240 nan 8.240 nan 0.000 0.526 88 S N -0.711 115.055 115.700 0.109 0.000 3.031 88 S HA 0.260 4.730 4.470 -0.001 0.000 0.253 88 S C -0.175 174.507 174.600 0.136 0.000 0.996 88 S CA -0.897 57.363 58.200 0.101 0.000 1.098 88 S CB -0.839 62.404 63.200 0.072 0.000 1.042 88 S HN 0.422 nan 8.310 nan 0.000 0.593 89 Y N 3.310 123.655 120.300 0.076 0.000 2.802 89 Y HA 0.294 4.844 4.550 -0.001 0.000 0.333 89 Y C 0.535 176.506 175.900 0.119 0.000 1.244 89 Y CA 0.475 58.645 58.100 0.116 0.000 1.558 89 Y CB 0.277 38.795 38.460 0.097 0.000 1.233 89 Y HN 0.428 nan 8.280 nan 0.000 0.547 90 N N 3.867 122.265 118.700 -0.503 0.000 2.598 90 N HA 0.177 4.917 4.740 -0.001 0.000 0.295 90 N C 0.397 175.633 175.510 -0.456 0.000 1.729 90 N CA 0.502 53.359 53.050 -0.320 0.000 0.877 90 N CB 0.070 38.483 38.487 -0.122 0.000 1.405 90 N HN 0.931 nan 8.380 nan 0.000 0.491 91 G N -0.183 108.061 108.800 -0.927 0.000 2.166 91 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.260 91 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.260 91 G C 1.003 175.502 174.900 -0.669 0.000 0.986 91 G CA 0.570 45.408 45.100 -0.436 0.000 0.683 91 G HN 1.386 nan 8.290 nan 0.000 0.527 92 G N -1.445 106.882 108.800 -0.787 0.000 2.179 92 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.260 92 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.260 92 G C 0.178 174.821 174.900 -0.429 0.000 0.977 92 G CA 0.615 45.122 45.100 -0.987 0.000 0.641 92 G HN 1.299 nan 8.290 nan 0.000 0.533 93 N N 1.161 119.707 118.700 -0.257 0.000 2.468 93 N HA 0.363 5.102 4.740 -0.001 0.000 0.265 93 N C -0.215 175.280 175.510 -0.025 0.000 1.199 93 N CA 0.035 53.069 53.050 -0.026 0.000 0.928 93 N CB 0.450 38.931 38.487 -0.011 0.000 1.059 93 N HN 0.215 nan 8.380 nan 0.000 0.467 94 N N 1.929 120.656 118.700 0.045 0.000 2.558 94 N HA 0.077 4.817 4.740 -0.001 0.000 0.242 94 N C 0.161 175.568 175.510 -0.172 0.000 0.979 94 N CA -0.232 52.803 53.050 -0.026 0.000 0.931 94 N CB 0.646 39.165 38.487 0.053 0.000 1.122 94 N HN 0.535 nan 8.380 nan 0.000 0.508 95 E N 0.633 120.741 120.200 -0.154 0.000 2.153 95 E HA -0.163 4.186 4.350 -0.001 0.000 0.194 95 E C 1.270 177.783 176.600 -0.145 0.000 0.988 95 E CA 1.599 57.892 56.400 -0.179 0.000 0.811 95 E CB 0.105 29.737 29.700 -0.113 0.000 0.746 95 E HN 0.732 nan 8.360 nan 0.000 0.466 96 T N -0.495 114.004 114.554 -0.091 0.000 2.951 96 T HA -0.033 4.317 4.350 -0.001 0.000 0.268 96 T C 1.752 176.413 174.700 -0.065 0.000 1.073 96 T CA 0.520 62.582 62.100 -0.063 0.000 1.134 96 T CB 0.128 68.976 68.868 -0.033 0.000 0.884 96 T HN -0.099 nan 8.240 nan 0.000 0.479 97 K N 1.215 121.573 120.400 -0.070 0.000 2.021 97 K HA 0.206 4.525 4.320 -0.001 0.000 0.205 97 K C 2.696 179.246 176.600 -0.082 0.000 1.047 97 K CA 1.387 57.658 56.287 -0.027 0.000 0.943 97 K CB -1.122 31.430 32.500 0.087 0.000 0.725 97 K HN 0.487 nan 8.250 nan 0.000 0.439 98 G N 0.884 109.493 108.800 -0.318 0.000 2.394 98 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.215 98 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.215 98 G C 0.249 175.030 174.900 -0.198 0.000 1.165 98 G CA 0.135 44.966 45.100 -0.447 0.000 0.784 98 G HN 0.286 nan 8.290 nan 0.000 0.535 99 Q N -0.277 119.416 119.800 -0.177 0.000 2.451 99 Q HA -0.210 4.129 4.340 -0.001 0.000 0.305 99 Q C 0.269 176.221 176.000 -0.079 0.000 1.345 99 Q CA 1.038 56.780 55.803 -0.101 0.000 0.854 99 Q CB -2.502 26.197 28.738 -0.064 0.000 1.162 99 Q HN 0.869 nan 8.270 nan 0.000 0.440 100 N N -1.311 117.327 118.700 -0.104 0.000 2.721 100 N HA -0.300 4.439 4.740 -0.001 0.000 0.249 100 N C 0.752 176.255 175.510 -0.011 0.000 1.072 100 N CA 1.035 54.050 53.050 -0.059 0.000 0.710 100 N CB -0.945 37.519 38.487 -0.038 0.000 0.993 100 N HN 0.854 nan 8.380 nan 0.000 0.547 101 G N -1.985 106.817 108.800 0.002 0.000 2.195 101 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.246 101 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.246 101 G C 0.988 175.913 174.900 0.042 0.000 0.984 101 G CA 0.582 45.720 45.100 0.064 0.000 0.633 101 G HN 0.784 nan 8.290 nan 0.000 0.525 102 A N -0.131 122.695 122.820 0.009 0.000 1.930 102 A HA 0.228 4.547 4.320 -0.001 0.000 0.217 102 A C 2.421 180.000 177.584 -0.008 0.000 1.175 102 A CA 2.740 54.777 52.037 -0.001 0.000 0.627 102 A CB -0.749 18.243 19.000 -0.013 0.000 0.815 102 A HN 0.755 nan 8.150 nan 0.000 0.443 103 T N 0.301 114.847 114.554 -0.014 0.000 2.674 103 T HA -0.149 4.201 4.350 -0.001 0.000 0.265 103 T C 1.862 176.538 174.700 -0.039 0.000 1.039 103 T CA 1.544 63.626 62.100 -0.030 0.000 1.150 103 T CB -0.457 68.391 68.868 -0.032 0.000 0.864 103 T HN 0.320 nan 8.240 nan 0.000 0.427 104 L N 1.549 122.766 121.223 -0.010 0.000 2.012 104 L HA -0.063 4.276 4.340 -0.001 0.000 0.210 104 L C 2.540 179.404 176.870 -0.009 0.000 1.073 104 L CA 1.857 56.687 54.840 -0.015 0.000 0.748 104 L CB -0.584 41.530 42.059 0.093 0.000 0.891 104 L HN 0.098 nan 8.230 nan 0.000 0.431 105 R N -0.669 119.839 120.500 0.012 0.000 2.091 105 R HA -0.184 4.155 4.340 -0.001 0.000 0.238 105 R C 2.112 178.416 176.300 0.007 0.000 1.136 105 R CA 1.495 57.602 56.100 0.011 0.000 0.959 105 R CB -0.394 29.915 30.300 0.016 0.000 0.856 105 R HN 0.536 nan 8.270 nan 0.000 0.437 106 A N 0.938 123.754 122.820 -0.007 0.000 1.898 106 A HA -0.092 4.227 4.320 -0.001 0.000 0.216 106 A C 2.196 179.771 177.584 -0.015 0.000 1.181 106 A CA 1.056 53.087 52.037 -0.010 0.000 0.620 106 A CB -0.451 18.536 19.000 -0.022 0.000 0.819 106 A HN 0.335 nan 8.150 nan 0.000 0.442 107 L N -0.220 120.979 121.223 -0.039 0.000 2.017 107 L HA -0.209 4.131 4.340 -0.001 0.000 0.208 107 L C 2.304 179.167 176.870 -0.011 0.000 1.073 107 L CA 1.301 56.110 54.840 -0.053 0.000 0.745 107 L CB -0.663 41.327 42.059 -0.114 0.000 0.894 107 L HN 0.347 nan 8.230 nan 0.000 0.432 108 N N 0.230 118.926 118.700 -0.007 0.000 2.166 108 N HA -0.217 4.523 4.740 -0.001 0.000 0.186 108 N C 1.728 177.336 175.510 0.163 0.000 1.019 108 N CA 1.169 54.241 53.050 0.036 0.000 0.856 108 N CB -0.219 38.206 38.487 -0.104 0.000 0.993 108 N HN 0.324 nan 8.380 nan 0.000 0.426 109 K N 1.189 121.649 120.400 0.099 0.000 2.057 109 K HA -0.118 4.201 4.320 -0.001 0.000 0.207 109 K C 1.790 178.431 176.600 0.069 0.000 1.049 109 K CA 1.164 57.505 56.287 0.089 0.000 0.931 109 K CB 0.033 32.563 32.500 0.050 0.000 0.714 109 K HN 0.218 nan 8.250 nan 0.000 0.440 110 Q N 0.366 120.194 119.800 0.048 0.000 2.170 110 Q HA -0.134 4.206 4.340 -0.001 0.000 0.203 110 Q C 2.175 178.210 176.000 0.057 0.000 0.976 110 Q CA 1.424 57.248 55.803 0.035 0.000 0.858 110 Q CB -0.036 28.708 28.738 0.010 0.000 0.907 110 Q HN 0.350 nan 8.270 nan 0.000 0.433 111 L N -0.208 121.073 121.223 0.097 0.000 2.044 111 L HA -0.119 4.221 4.340 -0.001 0.000 0.205 111 L C 2.508 179.444 176.870 0.111 0.000 1.075 111 L CA 0.889 55.808 54.840 0.132 0.000 0.747 111 L CB -0.580 41.600 42.059 0.202 0.000 0.903 111 L HN 0.186 nan 8.230 nan 0.000 0.435 112 A N 0.075 122.964 122.820 0.114 0.000 1.978 112 A HA -0.196 4.124 4.320 -0.001 0.000 0.220 112 A C 1.814 179.395 177.584 -0.005 0.000 1.170 112 A CA 1.745 53.769 52.037 -0.022 0.000 0.636 112 A CB -0.548 18.426 19.000 -0.044 0.000 0.810 112 A HN 0.444 nan 8.150 nan 0.000 0.448 113 N N -0.786 117.928 118.700 0.024 0.000 2.515 113 N HA 0.152 4.892 4.740 -0.001 0.000 0.191 113 N C 1.049 176.571 175.510 0.019 0.000 1.182 113 N CA 1.092 54.152 53.050 0.017 0.000 0.879 113 N CB 0.416 38.914 38.487 0.019 0.000 0.984 113 N HN 0.690 nan 8.380 nan 0.000 0.453 114 G N -0.938 107.879 108.800 0.029 0.000 2.192 114 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.193 114 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.193 114 G C 0.228 175.156 174.900 0.047 0.000 0.999 114 G CA -0.058 45.062 45.100 0.035 0.000 0.659 114 G HN 0.551 nan 8.290 nan 0.000 0.503 115 A N 0.292 123.143 122.820 0.050 0.000 2.462 115 A HA 0.623 4.942 4.320 -0.001 0.000 0.243 115 A C 1.149 178.789 177.584 0.094 0.000 1.076 115 A CA 1.056 53.124 52.037 0.053 0.000 0.773 115 A CB 0.302 19.326 19.000 0.039 0.000 1.010 115 A HN 0.403 nan 8.150 nan 0.000 0.493 116 E N 0.080 120.337 120.200 0.096 0.000 2.086 116 E HA -0.017 4.333 4.350 -0.001 0.000 0.190 116 E C 0.606 177.338 176.600 0.220 0.000 0.975 116 E CA 1.469 57.980 56.400 0.186 0.000 0.813 116 E CB 0.106 29.859 29.700 0.087 0.000 0.768 116 E HN 0.886 nan 8.360 nan 0.000 0.457 117 T N -1.640 112.980 114.554 0.110 0.000 2.906 117 T HA 0.571 4.921 4.350 -0.001 0.000 0.295 117 T C -0.280 174.429 174.700 0.015 0.000 1.075 117 T CA -0.953 61.196 62.100 0.081 0.000 1.005 117 T CB 2.018 70.918 68.868 0.054 0.000 1.136 117 T HN -0.050 nan 8.240 nan 0.000 0.498 118 V N -0.816 119.080 119.914 -0.030 0.000 3.141 118 V HA 0.765 4.885 4.120 -0.001 0.000 0.312 118 V C -0.819 175.182 176.094 -0.155 0.000 1.157 118 V CA -1.270 60.982 62.300 -0.080 0.000 1.041 118 V CB 1.868 33.643 31.823 -0.080 0.000 1.071 118 V HN 0.971 nan 8.190 nan 0.000 0.441 119 N N 2.791 121.388 118.700 -0.171 0.000 2.462 119 N HA 0.510 5.250 4.740 -0.001 0.000 0.242 119 N C -1.849 173.466 175.510 -0.325 0.000 1.010 119 N CA -2.150 50.764 53.050 -0.228 0.000 0.939 119 N CB 1.347 39.740 38.487 -0.157 0.000 1.127 119 N HN 0.663 nan 8.380 nan 0.000 0.509 120 P HA 0.203 nan 4.420 nan 0.000 0.258 120 P C 1.042 178.020 177.300 -0.537 0.000 1.416 120 P CA -0.092 62.553 63.100 -0.759 0.000 0.927 120 P CB 0.075 30.717 31.700 -1.763 0.000 1.444 121 G N 1.566 110.162 108.800 -0.340 0.000 2.462 121 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.220 121 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.220 121 G C 1.316 176.144 174.900 -0.121 0.000 1.121 121 G CA 0.440 45.426 45.100 -0.191 0.000 0.758 121 G HN 0.253 nan 8.290 nan 0.000 0.559 122 N N 0.097 118.720 118.700 -0.128 0.000 2.461 122 N HA 0.069 4.809 4.740 -0.001 0.000 0.188 122 N C 0.784 176.275 175.510 -0.032 0.000 1.134 122 N CA 0.122 53.130 53.050 -0.069 0.000 0.878 122 N CB 0.144 38.590 38.487 -0.069 0.000 0.972 122 N HN 0.264 nan 8.380 nan 0.000 0.456 123 L N 1.620 122.789 121.223 -0.089 0.000 2.648 123 L HA 0.184 4.524 4.340 -0.001 0.000 0.238 123 L C 0.324 177.213 176.870 0.030 0.000 1.316 123 L CA -0.201 54.590 54.840 -0.082 0.000 1.241 123 L CB -0.579 41.153 42.059 -0.544 0.000 1.499 123 L HN 0.031 nan 8.230 nan 0.000 0.411 124 T N -2.909 111.694 114.554 0.081 0.000 2.887 124 T HA 0.926 5.276 4.350 -0.001 0.000 0.292 124 T C -0.053 174.688 174.700 0.069 0.000 1.087 124 T CA -0.464 61.641 62.100 0.007 0.000 1.009 124 T CB 2.854 71.714 68.868 -0.013 0.000 1.203 124 T HN 0.276 nan 8.240 nan 0.000 0.518 125 G N -1.720 107.072 108.800 -0.014 0.000 2.634 125 G HA2 0.579 4.538 3.960 -0.001 0.000 0.309 125 G HA3 0.579 4.538 3.960 -0.001 0.000 0.309 125 G C 0.366 175.271 174.900 0.008 0.000 1.299 125 G CA -0.105 45.002 45.100 0.011 0.000 0.798 125 G HN 1.969 nan 8.290 nan 0.000 0.490 126 G N -0.760 108.006 108.800 -0.056 0.000 2.295 126 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.287 126 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.287 126 G C 0.600 175.804 174.900 0.508 0.000 1.055 126 G CA 1.226 46.467 45.100 0.235 0.000 0.922 126 G HN 0.762 nan 8.290 nan 0.000 0.503 127 E N -0.231 120.168 120.200 0.331 0.000 2.158 127 E HA 0.003 4.353 4.350 -0.001 0.000 0.191 127 E C 1.362 178.142 176.600 0.300 0.000 0.982 127 E CA 0.518 57.087 56.400 0.282 0.000 0.823 127 E CB 0.122 29.930 29.700 0.180 0.000 0.766 127 E HN 0.436 nan 8.360 nan 0.000 0.468 128 N N 0.605 119.511 118.700 0.343 0.000 2.415 128 N HA 0.135 4.875 4.740 -0.001 0.000 0.246 128 N C 0.264 175.918 175.510 0.240 0.000 1.078 128 N CA 0.091 53.302 53.050 0.268 0.000 0.942 128 N CB 1.118 39.760 38.487 0.257 0.000 1.140 128 N HN 0.077 nan 8.380 nan 0.000 0.501 129 A N 3.668 126.592 122.820 0.173 0.000 2.070 129 A HA -0.054 4.266 4.320 -0.001 0.000 0.220 129 A C 1.974 179.561 177.584 0.004 0.000 1.159 129 A CA 1.635 53.727 52.037 0.092 0.000 0.656 129 A CB -0.407 18.662 19.000 0.115 0.000 0.800 129 A HN 0.702 nan 8.150 nan 0.000 0.453 130 A N -0.348 122.494 122.820 0.037 0.000 2.014 130 A HA -0.084 4.235 4.320 -0.001 0.000 0.218 130 A C 1.905 179.484 177.584 -0.008 0.000 1.163 130 A CA 1.394 53.436 52.037 0.007 0.000 0.652 130 A CB -0.303 18.715 19.000 0.029 0.000 0.808 130 A HN 0.622 nan 8.150 nan 0.000 0.449 131 E N -0.842 119.393 120.200 0.058 0.000 2.112 131 E HA -0.177 4.172 4.350 -0.001 0.000 0.190 131 E C 2.207 178.707 176.600 -0.166 0.000 0.979 131 E CA 0.995 57.477 56.400 0.137 0.000 0.814 131 E CB -0.118 29.894 29.700 0.519 0.000 0.762 131 E HN 0.805 nan 8.360 nan 0.000 0.460 132 Q N 0.533 119.976 119.800 -0.595 0.000 2.020 132 Q HA -0.091 4.249 4.340 -0.001 0.000 0.202 132 Q C 0.931 176.653 176.000 -0.463 0.000 0.982 132 Q CA 1.446 56.490 55.803 -1.265 0.000 0.838 132 Q CB -0.064 28.022 28.738 -1.086 0.000 0.899 132 Q HN 0.216 nan 8.270 nan 0.000 0.423 133 G N 0.992 109.653 108.800 -0.232 0.000 2.698 133 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.233 133 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.233 133 G C -0.768 174.108 174.900 -0.040 0.000 1.352 133 G CA -0.094 44.968 45.100 -0.062 0.000 0.879 133 G HN 0.853 nan 8.290 nan 0.000 0.567 134 N N -2.594 116.061 118.700 -0.074 0.000 3.227 134 N HA 0.491 5.231 4.740 -0.001 0.000 0.241 134 N C -1.235 173.660 175.510 -1.025 0.000 1.480 134 N CA -0.782 51.999 53.050 -0.447 0.000 0.886 134 N CB 0.699 38.966 38.487 -0.366 0.000 1.406 134 N HN 1.109 nan 8.380 nan 0.000 0.514 135 Y N 0.654 119.956 120.300 -1.664 0.000 2.319 135 Y HA 0.549 5.098 4.550 -0.001 0.000 0.328 135 Y C -0.477 174.942 175.900 -0.803 0.000 1.133 135 Y CA -0.478 56.668 58.100 -1.590 0.000 1.265 135 Y CB 0.483 38.148 38.460 -1.325 0.000 1.218 135 Y HN 0.480 nan 8.280 nan 0.000 0.508 136 L N 5.753 126.316 121.223 -1.100 0.000 2.317 136 L HA 0.294 4.634 4.340 -0.001 0.000 0.281 136 L C -0.187 176.161 176.870 -0.869 0.000 1.024 136 L CA -1.157 53.187 54.840 -0.827 0.000 0.810 136 L CB 1.446 43.012 42.059 -0.822 0.000 1.240 136 L HN 0.685 nan 8.230 nan 0.000 0.427 137 N N 1.678 120.067 118.700 -0.519 0.000 2.454 137 N HA -0.126 4.613 4.740 -0.001 0.000 0.260 137 N C 0.555 175.999 175.510 -0.110 0.000 1.218 137 N CA 0.126 52.989 53.050 -0.311 0.000 0.904 137 N CB 0.770 39.117 38.487 -0.233 0.000 1.065 137 N HN 0.635 nan 8.380 nan 0.000 0.462 138 W N 4.405 125.588 121.300 -0.196 0.000 2.408 138 W HA 0.166 4.826 4.660 -0.001 0.000 0.311 138 W C 0.468 177.045 176.519 0.096 0.000 1.190 138 W CA 1.864 59.187 57.345 -0.036 0.000 1.321 138 W CB -0.628 28.895 29.460 0.104 0.000 1.143 138 W HN 0.639 nan 8.180 nan 0.000 0.501 139 G N -0.252 108.830 108.800 0.468 0.000 2.498 139 G HA2 0.214 4.173 3.960 -0.001 0.000 0.181 139 G HA3 0.214 4.173 3.960 -0.001 0.000 0.181 139 G C -2.076 172.952 174.900 0.214 0.000 1.169 139 G CA -0.541 44.738 45.100 0.297 0.000 0.992 139 G HN 0.045 nan 8.290 nan 0.000 0.490 140 D N -0.890 119.590 120.400 0.134 0.000 2.602 140 D HA 0.607 5.247 4.640 -0.001 0.000 0.236 140 D C -0.785 175.477 176.300 -0.064 0.000 1.209 140 D CA -0.421 53.564 54.000 -0.026 0.000 0.831 140 D CB 2.596 43.204 40.800 -0.320 0.000 1.478 140 D HN 0.443 nan 8.370 nan 0.000 0.438 141 I N 1.794 122.287 120.570 -0.127 0.000 2.336 141 I HA 0.312 4.482 4.170 -0.001 0.000 0.292 141 I C -0.979 175.024 176.117 -0.191 0.000 0.991 141 I CA -0.604 60.643 61.300 -0.087 0.000 1.227 141 I CB 0.619 38.602 38.000 -0.029 0.000 1.366 141 I HN 0.226 nan 8.210 nan 0.000 0.466 142 Y N 6.398 126.713 120.300 0.024 0.000 2.341 142 Y HA 0.549 5.099 4.550 -0.001 0.000 0.337 142 Y C -0.287 175.646 175.900 0.056 0.000 1.014 142 Y CA -0.635 57.475 58.100 0.017 0.000 1.111 142 Y CB 1.571 40.021 38.460 -0.016 0.000 1.194 142 Y HN 0.328 nan 8.280 nan 0.000 0.462 143 L N 4.260 125.621 121.223 0.231 0.000 2.366 143 L HA 0.327 4.667 4.340 -0.001 0.000 0.266 143 L C -0.875 176.142 176.870 0.244 0.000 1.010 143 L CA -0.534 54.415 54.840 0.183 0.000 0.879 143 L CB 0.923 43.020 42.059 0.064 0.000 1.228 143 L HN 0.540 nan 8.230 nan 0.000 0.439 144 D N 1.501 122.013 120.400 0.186 0.000 2.359 144 D HA 0.134 4.774 4.640 -0.001 0.000 0.230 144 D C 0.373 176.691 176.300 0.030 0.000 1.118 144 D CA -0.101 53.966 54.000 0.112 0.000 0.844 144 D CB 0.909 41.725 40.800 0.026 0.000 1.059 144 D HN 0.320 nan 8.370 nan 0.000 0.493 145 Y N 1.877 122.011 120.300 -0.277 0.000 2.519 145 Y HA 0.127 4.677 4.550 -0.001 0.000 0.287 145 Y C 2.081 177.602 175.900 -0.631 0.000 1.128 145 Y CA 0.273 58.028 58.100 -0.575 0.000 1.282 145 Y CB 0.500 38.210 38.460 -1.250 0.000 1.027 145 Y HN 0.675 nan 8.280 nan 0.000 0.551 146 G N 0.767 109.409 108.800 -0.263 0.000 2.305 146 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.287 146 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.287 146 G C -0.253 174.608 174.900 -0.065 0.000 1.036 146 G CA -0.224 44.793 45.100 -0.138 0.000 0.887 146 G HN 0.142 nan 8.290 nan 0.000 0.505 147 F N 0.110 120.056 119.950 -0.006 0.000 2.506 147 F HA 0.243 4.769 4.527 -0.001 0.000 0.351 147 F C 1.684 177.489 175.800 0.008 0.000 1.136 147 F CA -0.786 57.189 58.000 -0.042 0.000 1.298 147 F CB 0.386 39.193 39.000 -0.322 0.000 1.145 147 F HN 0.008 nan 8.300 nan 0.000 0.593 148 N N 0.815 119.682 118.700 0.279 0.000 2.244 148 N HA -0.095 4.644 4.740 -0.001 0.000 0.183 148 N C -0.069 175.523 175.510 0.136 0.000 1.016 148 N CA 1.174 54.324 53.050 0.166 0.000 0.866 148 N CB -0.408 38.168 38.487 0.147 0.000 0.980 148 N HN 0.736 nan 8.380 nan 0.000 0.430 149 D N -2.689 117.819 120.400 0.180 0.000 2.559 149 D HA 0.231 4.871 4.640 -0.001 0.000 0.250 149 D C -0.118 176.258 176.300 0.126 0.000 1.135 149 D CA -0.745 53.330 54.000 0.124 0.000 0.955 149 D CB 0.646 41.502 40.800 0.094 0.000 1.442 149 D HN -0.080 nan 8.370 nan 0.000 0.471 150 T N -2.845 111.734 114.554 0.041 0.000 3.214 150 T HA 0.225 4.574 4.350 -0.001 0.000 0.264 150 T C 0.227 174.909 174.700 -0.031 0.000 1.012 150 T CA -0.441 61.636 62.100 -0.039 0.000 0.901 150 T CB -0.718 68.101 68.868 -0.082 0.000 1.070 150 T HN 0.367 nan 8.240 nan 0.000 0.561 151 T N 3.585 118.168 114.554 0.048 0.000 2.799 151 T HA 0.472 4.821 4.350 -0.001 0.000 0.296 151 T C 0.294 175.036 174.700 0.069 0.000 0.947 151 T CA -0.338 61.780 62.100 0.030 0.000 1.141 151 T CB 0.620 69.496 68.868 0.013 0.000 0.891 151 T HN 0.544 nan 8.240 nan 0.000 0.533 152 V N 0.892 120.833 119.914 0.044 0.000 3.159 152 V HA 0.972 5.091 4.120 -0.001 0.000 0.308 152 V C -0.199 175.964 176.094 0.115 0.000 1.190 152 V CA -1.158 61.208 62.300 0.111 0.000 1.037 152 V CB 2.045 33.937 31.823 0.116 0.000 1.060 152 V HN 0.892 nan 8.190 nan 0.000 0.437 153 T N -2.258 112.391 114.554 0.159 0.000 2.888 153 T HA 0.710 5.059 4.350 -0.001 0.000 0.288 153 T C -0.045 174.776 174.700 0.203 0.000 1.063 153 T CA 0.160 62.349 62.100 0.147 0.000 1.010 153 T CB 1.682 70.606 68.868 0.093 0.000 1.214 153 T HN 1.293 nan 8.240 nan 0.000 0.533 154 E N -1.252 119.052 120.200 0.173 0.000 2.722 154 E HA -0.239 4.111 4.350 -0.001 0.000 0.265 154 E C -1.073 175.647 176.600 0.200 0.000 1.081 154 E CA 0.315 56.809 56.400 0.157 0.000 0.781 154 E CB -1.853 27.908 29.700 0.101 0.000 1.372 154 E HN 0.644 nan 8.360 nan 0.000 0.423 155 Y N 1.330 121.735 120.300 0.174 0.000 2.402 155 Y HA 0.244 4.793 4.550 -0.001 0.000 0.333 155 Y C 0.394 176.409 175.900 0.193 0.000 1.076 155 Y CA 0.192 58.419 58.100 0.212 0.000 1.299 155 Y CB 0.568 39.125 38.460 0.162 0.000 1.197 155 Y HN 0.037 nan 8.280 nan 0.000 0.517 156 R N 6.435 126.747 120.500 -0.313 0.000 2.604 156 R HA 0.475 4.814 4.340 -0.001 0.000 0.281 156 R C -1.421 174.684 176.300 -0.326 0.000 1.020 156 R CA -1.044 55.008 56.100 -0.081 0.000 0.899 156 R CB 1.365 31.692 30.300 0.045 0.000 1.205 156 R HN 0.898 nan 8.270 nan 0.000 0.450 157 R N 1.319 121.837 120.500 0.029 0.000 2.637 157 R HA 0.531 4.870 4.340 -0.001 0.000 0.291 157 R C -1.477 174.878 176.300 0.091 0.000 0.963 157 R CA -0.808 55.315 56.100 0.038 0.000 0.901 157 R CB 1.865 32.272 30.300 0.178 0.000 1.160 157 R HN 0.689 nan 8.270 nan 0.000 0.457 158 D N 1.072 121.409 120.400 -0.104 0.000 2.579 158 D HA 0.410 5.049 4.640 -0.001 0.000 0.257 158 D C -1.455 174.683 176.300 -0.270 0.000 1.176 158 D CA -0.926 52.951 54.000 -0.204 0.000 0.914 158 D CB 1.509 41.908 40.800 -0.668 0.000 1.431 158 D HN 0.381 nan 8.370 nan 0.000 0.454 159 L N 1.220 122.275 121.223 -0.280 0.000 2.343 159 L HA 0.477 4.817 4.340 -0.001 0.000 0.278 159 L C -1.258 175.377 176.870 -0.392 0.000 0.996 159 L CA -0.538 54.118 54.840 -0.307 0.000 0.831 159 L CB 1.438 43.340 42.059 -0.261 0.000 1.232 159 L HN 0.563 nan 8.230 nan 0.000 0.413 160 N N 5.276 123.727 118.700 -0.416 0.000 2.469 160 N HA 0.185 4.925 4.740 -0.001 0.000 0.239 160 N C 0.849 176.230 175.510 -0.215 0.000 1.053 160 N CA -0.088 52.781 53.050 -0.301 0.000 0.937 160 N CB 0.678 38.994 38.487 -0.286 0.000 1.163 160 N HN 0.788 nan 8.380 nan 0.000 0.509 161 L N 1.542 122.632 121.223 -0.222 0.000 2.131 161 L HA -0.132 4.208 4.340 -0.001 0.000 0.210 161 L C 1.910 178.444 176.870 -0.561 0.000 1.092 161 L CA 0.805 55.436 54.840 -0.349 0.000 0.759 161 L CB -0.255 41.688 42.059 -0.194 0.000 0.903 161 L HN 0.419 nan 8.230 nan 0.000 0.435 162 S N -0.270 115.208 115.700 -0.370 0.000 2.387 162 S HA -0.087 4.382 4.470 -0.001 0.000 0.226 162 S C 1.820 176.405 174.600 -0.026 0.000 1.026 162 S CA 1.060 59.110 58.200 -0.250 0.000 0.972 162 S CB 0.022 63.283 63.200 0.102 0.000 0.814 162 S HN 0.397 nan 8.310 nan 0.000 0.477 163 K N 0.184 120.533 120.400 -0.085 0.000 2.353 163 K HA 0.251 4.570 4.320 -0.001 0.000 0.195 163 K C 0.769 177.169 176.600 -0.334 0.000 1.031 163 K CA 0.387 56.602 56.287 -0.120 0.000 1.079 163 K CB 0.557 33.017 32.500 -0.066 0.000 0.857 163 K HN 0.357 nan 8.250 nan 0.000 0.535 164 G N 3.263 111.766 108.800 -0.495 0.000 2.289 164 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.280 164 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.280 164 G C -0.458 174.481 174.900 0.065 0.000 1.089 164 G CA 0.708 45.469 45.100 -0.564 0.000 0.939 164 G HN 0.375 nan 8.290 nan 0.000 0.499 165 K N -1.570 118.831 120.400 0.001 0.000 2.532 165 K HA 0.858 5.178 4.320 -0.001 0.000 0.265 165 K C -0.454 176.076 176.600 -0.117 0.000 0.948 165 K CA -0.591 55.687 56.287 -0.015 0.000 0.842 165 K CB 1.836 34.341 32.500 0.008 0.000 1.392 165 K HN 1.146 nan 8.250 nan 0.000 0.436 166 A N 1.977 124.705 122.820 -0.153 0.000 2.324 166 A HA 0.572 4.891 4.320 -0.001 0.000 0.330 166 A C -1.159 176.373 177.584 -0.087 0.000 1.165 166 A CA -0.650 51.313 52.037 -0.122 0.000 0.813 166 A CB 0.702 19.667 19.000 -0.059 0.000 1.197 166 A HN 0.792 nan 8.150 nan 0.000 0.484 167 D N 0.478 120.786 120.400 -0.153 0.000 2.601 167 D HA 0.576 5.216 4.640 -0.001 0.000 0.230 167 D C -1.251 174.969 176.300 -0.133 0.000 1.106 167 D CA -0.162 53.725 54.000 -0.188 0.000 0.873 167 D CB 2.275 42.884 40.800 -0.318 0.000 1.515 167 D HN 0.234 nan 8.370 nan 0.000 0.468 168 V N 0.505 120.338 119.914 -0.134 0.000 2.808 168 V HA 0.588 4.707 4.120 -0.001 0.000 0.308 168 V C -0.295 175.672 176.094 -0.212 0.000 1.099 168 V CA -0.493 61.731 62.300 -0.127 0.000 0.920 168 V CB 2.195 34.049 31.823 0.051 0.000 1.014 168 V HN 0.643 nan 8.190 nan 0.000 0.425 169 T N 4.646 119.029 114.554 -0.284 0.000 2.933 169 T HA 0.880 5.230 4.350 -0.001 0.000 0.305 169 T C -1.469 173.105 174.700 -0.210 0.000 1.092 169 T CA -0.329 61.597 62.100 -0.290 0.000 1.008 169 T CB 1.174 69.919 68.868 -0.206 0.000 1.102 169 T HN 0.834 nan 8.240 nan 0.000 0.469 170 F N 0.627 120.540 119.950 -0.062 0.000 2.741 170 F HA 0.734 5.261 4.527 -0.001 0.000 0.313 170 F C -1.267 174.605 175.800 0.121 0.000 1.153 170 F CA -1.345 56.686 58.000 0.052 0.000 0.931 170 F CB 1.417 40.537 39.000 0.200 0.000 1.335 170 F HN 0.541 nan 8.300 nan 0.000 0.460 171 K N 0.914 121.548 120.400 0.389 0.000 2.358 171 K HA 0.461 4.780 4.320 -0.001 0.000 0.260 171 K C -2.049 174.781 176.600 0.382 0.000 0.956 171 K CA -0.647 55.802 56.287 0.270 0.000 0.834 171 K CB 0.979 33.555 32.500 0.127 0.000 1.102 171 K HN 0.936 nan 8.250 nan 0.000 0.431 172 H N 2.852 122.097 119.070 0.293 0.000 2.609 172 H HA 0.164 4.720 4.556 -0.001 0.000 0.344 172 H C -1.044 174.322 175.328 0.064 0.000 1.040 172 H CA -0.150 55.965 56.048 0.112 0.000 1.216 172 H CB 1.198 30.887 29.762 -0.122 0.000 1.529 172 H HN 0.798 nan 8.280 nan 0.000 0.519 173 D N 3.989 124.109 120.400 -0.467 0.000 2.740 173 D HA -0.186 4.453 4.640 -0.001 0.000 0.231 173 D C 1.208 177.464 176.300 -0.074 0.000 1.194 173 D CA 2.300 56.136 54.000 -0.273 0.000 0.673 173 D CB -1.215 39.398 40.800 -0.312 0.000 0.995 173 D HN 1.186 nan 8.370 nan 0.000 0.411 174 G N -1.614 107.159 108.800 -0.045 0.000 2.184 174 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.264 174 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.264 174 G C 0.399 175.283 174.900 -0.027 0.000 0.975 174 G CA 0.423 45.509 45.100 -0.023 0.000 0.642 174 G HN 0.914 nan 8.290 nan 0.000 0.536 175 V N 0.896 120.799 119.914 -0.017 0.000 2.513 175 V HA 0.653 4.773 4.120 -0.001 0.000 0.299 175 V C 0.417 176.381 176.094 -0.216 0.000 1.035 175 V CA -0.290 61.923 62.300 -0.145 0.000 0.889 175 V CB 1.907 33.608 31.823 -0.204 0.000 0.988 175 V HN 0.200 nan 8.190 nan 0.000 0.440 176 T N 4.671 119.046 114.554 -0.300 0.000 2.744 176 T HA 0.511 4.860 4.350 -0.001 0.000 0.291 176 T C -0.826 173.576 174.700 -0.497 0.000 0.957 176 T CA 0.126 62.060 62.100 -0.277 0.000 1.002 176 T CB -0.039 68.727 68.868 -0.169 0.000 0.919 176 T HN 0.419 nan 8.240 nan 0.000 0.468 177 Y N 2.272 122.353 120.300 -0.365 0.000 2.330 177 Y HA 0.509 5.059 4.550 -0.001 0.000 0.336 177 Y C 1.167 176.738 175.900 -0.547 0.000 1.036 177 Y CA -0.841 56.989 58.100 -0.449 0.000 1.125 177 Y CB 1.412 39.478 38.460 -0.657 0.000 1.194 177 Y HN 0.601 nan 8.280 nan 0.000 0.469 178 T N 1.614 116.044 114.554 -0.206 0.000 2.908 178 T HA 0.823 5.172 4.350 -0.001 0.000 0.290 178 T C -0.689 173.890 174.700 -0.202 0.000 1.034 178 T CA -1.178 60.784 62.100 -0.229 0.000 1.010 178 T CB 1.784 70.539 68.868 -0.190 0.000 1.068 178 T HN 0.667 nan 8.240 nan 0.000 0.481 179 R N 0.921 121.274 120.500 -0.244 0.000 2.725 179 R HA 0.666 5.006 4.340 -0.001 0.000 0.277 179 R C -1.128 174.903 176.300 -0.448 0.000 0.987 179 R CA -0.930 54.943 56.100 -0.379 0.000 0.901 179 R CB 2.432 32.509 30.300 -0.372 0.000 1.207 179 R HN 0.871 nan 8.270 nan 0.000 0.463 180 E N 2.328 122.160 120.200 -0.613 0.000 2.308 180 E HA 0.371 4.721 4.350 -0.001 0.000 0.275 180 E C -1.688 174.552 176.600 -0.601 0.000 0.890 180 E CA -0.645 55.498 56.400 -0.428 0.000 0.754 180 E CB 1.596 31.209 29.700 -0.145 0.000 1.207 180 E HN 0.509 nan 8.360 nan 0.000 0.426 181 Y N 3.313 123.464 120.300 -0.248 0.000 2.406 181 Y HA 0.552 5.102 4.550 -0.001 0.000 0.340 181 Y C -0.565 174.950 175.900 -0.642 0.000 0.975 181 Y CA -0.864 56.931 58.100 -0.509 0.000 1.056 181 Y CB 1.464 39.520 38.460 -0.673 0.000 1.210 181 Y HN 0.470 nan 8.280 nan 0.000 0.448 182 F N -0.258 119.444 119.950 -0.413 0.000 2.686 182 F HA 0.968 5.495 4.527 -0.001 0.000 0.311 182 F C -1.540 174.281 175.800 0.036 0.000 1.128 182 F CA -1.901 55.879 58.000 -0.366 0.000 0.946 182 F CB 1.245 39.963 39.000 -0.470 0.000 1.336 182 F HN 0.517 nan 8.300 nan 0.000 0.457 183 A N 1.636 124.720 122.820 0.440 0.000 2.311 183 A HA 0.637 4.956 4.320 -0.001 0.000 0.306 183 A C -0.673 177.099 177.584 0.314 0.000 1.189 183 A CA -0.562 51.692 52.037 0.362 0.000 0.791 183 A CB 0.851 20.084 19.000 0.388 0.000 1.172 183 A HN 1.019 nan 8.150 nan 0.000 0.481 184 S N 1.785 117.674 115.700 0.315 0.000 2.523 184 S HA 0.093 4.562 4.470 -0.001 0.000 0.275 184 S C 1.127 175.916 174.600 0.316 0.000 1.281 184 S CA -0.421 58.022 58.200 0.406 0.000 1.050 184 S CB 0.320 63.762 63.200 0.404 0.000 0.937 184 S HN 0.789 nan 8.310 nan 0.000 0.492 185 N N 4.918 123.810 118.700 0.321 0.000 2.148 185 N HA 0.029 4.768 4.740 -0.001 0.000 0.186 185 N C -1.130 174.483 175.510 0.171 0.000 1.031 185 N CA 1.044 54.221 53.050 0.211 0.000 0.848 185 N CB -0.959 37.636 38.487 0.180 0.000 1.005 185 N HN 0.474 nan 8.380 nan 0.000 0.427 186 P HA -0.060 nan 4.420 nan 0.000 0.216 186 P C 0.264 177.640 177.300 0.128 0.000 1.150 186 P CA 1.381 64.560 63.100 0.131 0.000 0.837 186 P CB -0.016 31.758 31.700 0.123 0.000 0.786 187 D N -2.781 117.715 120.400 0.158 0.000 2.398 187 D HA 0.033 4.673 4.640 -0.001 0.000 0.210 187 D C 0.198 176.583 176.300 0.141 0.000 1.094 187 D CA 0.022 54.106 54.000 0.141 0.000 0.839 187 D CB -0.558 40.335 40.800 0.155 0.000 0.963 187 D HN -0.027 nan 8.370 nan 0.000 0.506 188 N N 0.714 119.506 118.700 0.153 0.000 2.740 188 N HA -0.191 4.549 4.740 -0.001 0.000 0.248 188 N C -1.306 174.290 175.510 0.144 0.000 1.062 188 N CA 0.287 53.420 53.050 0.137 0.000 0.704 188 N CB -1.121 37.432 38.487 0.110 0.000 0.968 188 N HN 0.119 nan 8.380 nan 0.000 0.547 189 V N 0.539 120.557 119.914 0.174 0.000 3.012 189 V HA 0.605 4.725 4.120 -0.001 0.000 0.307 189 V C -0.417 175.779 176.094 0.170 0.000 1.166 189 V CA -0.902 61.505 62.300 0.178 0.000 0.974 189 V CB 2.041 33.987 31.823 0.206 0.000 1.040 189 V HN 0.299 nan 8.190 nan 0.000 0.428 190 M N 5.785 125.479 119.600 0.157 0.000 2.318 190 M HA 0.755 5.235 4.480 -0.001 0.000 0.347 190 M C -1.847 174.427 176.300 -0.043 0.000 1.175 190 M CA -0.268 55.110 55.300 0.129 0.000 1.075 190 M CB 1.574 34.342 32.600 0.280 0.000 1.614 190 M HN 0.487 nan 8.290 nan 0.000 0.456 191 V N 4.062 123.773 119.914 -0.340 0.000 2.588 191 V HA 0.798 4.918 4.120 -0.001 0.000 0.304 191 V C -0.637 175.170 176.094 -0.478 0.000 1.042 191 V CA -0.778 61.172 62.300 -0.584 0.000 0.877 191 V CB 1.574 32.743 31.823 -1.089 0.000 0.996 191 V HN 0.945 nan 8.190 nan 0.000 0.425 192 A N 4.352 126.967 122.820 -0.342 0.000 2.311 192 A HA 0.867 5.187 4.320 -0.001 0.000 0.306 192 A C -0.548 176.809 177.584 -0.380 0.000 1.189 192 A CA -0.705 51.141 52.037 -0.317 0.000 0.791 192 A CB 1.072 20.009 19.000 -0.104 0.000 1.172 192 A HN 0.742 nan 8.150 nan 0.000 0.481 193 R N 2.745 122.997 120.500 -0.413 0.000 2.265 193 R HA 0.688 5.028 4.340 -0.001 0.000 0.328 193 R C -1.650 174.433 176.300 -0.361 0.000 0.969 193 R CA -0.248 55.610 56.100 -0.403 0.000 0.832 193 R CB 0.107 30.158 30.300 -0.415 0.000 1.139 193 R HN 0.620 nan 8.270 nan 0.000 0.457 194 L N 3.053 124.107 121.223 -0.281 0.000 2.365 194 L HA 0.633 4.973 4.340 -0.001 0.000 0.273 194 L C -0.290 176.521 176.870 -0.098 0.000 1.000 194 L CA -0.775 53.947 54.840 -0.197 0.000 0.819 194 L CB 2.544 44.461 42.059 -0.237 0.000 1.284 194 L HN 0.576 nan 8.230 nan 0.000 0.418 195 T N 1.448 115.973 114.554 -0.048 0.000 2.912 195 T HA 0.779 5.129 4.350 -0.001 0.000 0.299 195 T C -1.008 173.699 174.700 0.011 0.000 1.052 195 T CA -0.439 61.637 62.100 -0.040 0.000 0.996 195 T CB 2.143 70.948 68.868 -0.105 0.000 1.070 195 T HN 0.687 nan 8.240 nan 0.000 0.465 196 A N 1.056 123.860 122.820 -0.026 0.000 2.380 196 A HA 0.680 4.999 4.320 -0.001 0.000 0.315 196 A C 1.109 178.573 177.584 -0.200 0.000 1.101 196 A CA -0.338 51.579 52.037 -0.200 0.000 0.771 196 A CB 1.163 20.090 19.000 -0.120 0.000 1.287 196 A HN 0.911 nan 8.150 nan 0.000 0.436 197 S N 0.441 115.971 115.700 -0.283 0.000 2.489 197 S HA 0.052 4.522 4.470 -0.001 0.000 0.228 197 S C 0.641 175.170 174.600 -0.117 0.000 0.995 197 S CA 0.897 58.992 58.200 -0.175 0.000 0.934 197 S CB -0.123 62.973 63.200 -0.174 0.000 0.771 197 S HN 0.655 nan 8.310 nan 0.000 0.522 198 K N 1.168 121.500 120.400 -0.114 0.000 2.345 198 K HA 0.642 4.961 4.320 -0.001 0.000 0.255 198 K C -0.660 175.924 176.600 -0.026 0.000 0.934 198 K CA -0.665 55.588 56.287 -0.056 0.000 0.801 198 K CB 1.949 34.424 32.500 -0.041 0.000 1.137 198 K HN 0.187 nan 8.250 nan 0.000 0.424 199 A N 1.756 124.569 122.820 -0.012 0.000 2.531 199 A HA 0.376 4.695 4.320 -0.001 0.000 0.236 199 A C 1.163 178.760 177.584 0.021 0.000 1.062 199 A CA 1.255 53.294 52.037 0.003 0.000 0.760 199 A CB -0.509 18.491 19.000 0.001 0.000 0.995 199 A HN 1.161 nan 8.150 nan 0.000 0.501 200 G N 1.311 110.130 108.800 0.032 0.000 2.225 200 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.254 200 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.254 200 G C 0.863 175.816 174.900 0.088 0.000 0.988 200 G CA 0.673 45.801 45.100 0.047 0.000 0.625 200 G HN 0.687 nan 8.290 nan 0.000 0.527 201 K N -0.506 119.961 120.400 0.111 0.000 2.393 201 K HA 0.326 4.645 4.320 -0.001 0.000 0.193 201 K C 0.817 177.638 176.600 0.368 0.000 1.026 201 K CA -0.099 56.318 56.287 0.216 0.000 1.064 201 K CB 0.190 32.792 32.500 0.170 0.000 0.833 201 K HN 0.463 nan 8.250 nan 0.000 0.521 202 L N 2.959 124.342 121.223 0.267 0.000 2.295 202 L HA 0.195 4.535 4.340 -0.001 0.000 0.288 202 L C -0.987 175.980 176.870 0.163 0.000 1.079 202 L CA 0.183 55.217 54.840 0.324 0.000 0.830 202 L CB -0.013 42.203 42.059 0.261 0.000 1.200 202 L HN 0.035 nan 8.230 nan 0.000 0.438 203 N N 6.501 125.275 118.700 0.123 0.000 2.410 203 N HA 0.604 5.344 4.740 -0.001 0.000 0.287 203 N C -1.319 174.081 175.510 -0.183 0.000 1.044 203 N CA -0.199 52.806 53.050 -0.076 0.000 0.881 203 N CB 2.095 40.575 38.487 -0.012 0.000 1.405 203 N HN 0.453 nan 8.380 nan 0.000 0.490 204 F N -0.712 119.025 119.950 -0.355 0.000 2.719 204 F HA 0.451 4.978 4.527 -0.001 0.000 0.309 204 F C -1.455 174.196 175.800 -0.248 0.000 1.138 204 F CA -1.162 56.566 58.000 -0.453 0.000 0.943 204 F CB 1.377 39.863 39.000 -0.857 0.000 1.304 204 F HN 0.132 nan 8.300 nan 0.000 0.445 205 N N 1.591 120.283 118.700 -0.013 0.000 2.400 205 N HA 0.502 5.241 4.740 -0.001 0.000 0.288 205 N C -1.955 173.657 175.510 0.171 0.000 1.024 205 N CA -0.312 52.727 53.050 -0.018 0.000 0.894 205 N CB 2.258 40.724 38.487 -0.035 0.000 1.173 205 N HN 0.800 nan 8.380 nan 0.000 0.487 206 V N 3.133 123.136 119.914 0.148 0.000 2.459 206 V HA 0.654 4.774 4.120 -0.001 0.000 0.295 206 V C -0.465 175.693 176.094 0.107 0.000 1.029 206 V CA -0.172 62.245 62.300 0.194 0.000 0.874 206 V CB 1.184 33.158 31.823 0.251 0.000 0.985 206 V HN 0.871 nan 8.190 nan 0.000 0.438 207 S N 5.870 121.644 115.700 0.123 0.000 2.618 207 S HA 0.704 5.173 4.470 -0.001 0.000 0.277 207 S C -0.666 174.002 174.600 0.113 0.000 1.138 207 S CA -0.814 57.445 58.200 0.099 0.000 0.844 207 S CB 1.969 65.221 63.200 0.086 0.000 1.127 207 S HN 0.911 nan 8.310 nan 0.000 0.474 208 M N 2.167 121.820 119.600 0.088 0.000 2.720 208 M HA 0.342 4.822 4.480 -0.001 0.000 0.250 208 M C -2.805 173.567 176.300 0.120 0.000 1.280 208 M CA -1.736 53.606 55.300 0.071 0.000 0.579 208 M CB 1.240 33.833 32.600 -0.011 0.000 1.469 208 M HN 0.511 nan 8.290 nan 0.000 0.416 209 P HA 0.139 nan 4.420 nan 0.000 0.271 209 P C -0.352 177.023 177.300 0.125 0.000 1.220 209 P CA 0.193 63.363 63.100 0.117 0.000 0.768 209 P CB 0.448 32.215 31.700 0.112 0.000 0.848 210 T N 0.560 115.164 114.554 0.085 0.000 2.900 210 T HA 0.035 4.385 4.350 -0.001 0.000 0.307 210 T C 0.693 175.306 174.700 -0.145 0.000 1.065 210 T CA -0.746 61.355 62.100 0.002 0.000 1.105 210 T CB 0.117 68.908 68.868 -0.127 0.000 0.979 210 T HN 0.399 nan 8.240 nan 0.000 0.544 211 N N 1.277 119.867 118.700 -0.184 0.000 2.412 211 N HA -0.060 4.679 4.740 -0.001 0.000 0.254 211 N C 1.402 176.622 175.510 -0.483 0.000 1.232 211 N CA 0.561 53.469 53.050 -0.237 0.000 0.880 211 N CB 0.994 39.428 38.487 -0.088 0.000 1.076 211 N HN 0.881 nan 8.380 nan 0.000 0.458 212 T N 0.298 114.676 114.554 -0.294 0.000 3.148 212 T HA 0.060 4.410 4.350 -0.001 0.000 0.253 212 T C 0.841 175.375 174.700 -0.278 0.000 1.134 212 T CA 0.610 62.543 62.100 -0.277 0.000 1.051 212 T CB -0.220 68.550 68.868 -0.163 0.000 0.959 212 T HN 0.549 nan 8.240 nan 0.000 0.525 213 N N 0.244 118.777 118.700 -0.279 0.000 2.282 213 N HA 0.192 4.932 4.740 -0.001 0.000 0.185 213 N C -0.236 175.210 175.510 -0.107 0.000 1.099 213 N CA -0.404 52.546 53.050 -0.166 0.000 0.878 213 N CB 0.121 38.536 38.487 -0.119 0.000 0.993 213 N HN 0.696 nan 8.380 nan 0.000 0.481 214 Y N 0.614 120.822 120.300 -0.153 0.000 2.320 214 Y HA 0.573 5.123 4.550 -0.001 0.000 0.324 214 Y C 0.509 176.338 175.900 -0.119 0.000 1.190 214 Y CA -2.180 55.828 58.100 -0.154 0.000 1.215 214 Y CB 0.441 38.775 38.460 -0.211 0.000 1.221 214 Y HN -0.156 nan 8.280 nan 0.000 0.486 215 S N 2.239 118.002 115.700 0.105 0.000 2.576 215 S HA 0.530 5.000 4.470 -0.001 0.000 0.276 215 S C -0.798 173.874 174.600 0.119 0.000 1.339 215 S CA -0.802 57.429 58.200 0.051 0.000 1.039 215 S CB 0.646 63.863 63.200 0.029 0.000 0.902 215 S HN 0.763 nan 8.310 nan 0.000 0.516 216 K N 0.820 121.261 120.400 0.070 0.000 2.477 216 K HA 0.583 4.903 4.320 -0.001 0.000 0.255 216 K C -1.285 175.356 176.600 0.069 0.000 0.952 216 K CA -0.745 55.615 56.287 0.122 0.000 0.826 216 K CB 2.383 34.956 32.500 0.122 0.000 1.331 216 K HN 0.614 nan 8.250 nan 0.000 0.437 217 T N 0.648 115.244 114.554 0.071 0.000 2.815 217 T HA 0.424 4.774 4.350 -0.001 0.000 0.289 217 T C 0.449 175.148 174.700 -0.002 0.000 1.000 217 T CA -0.106 62.008 62.100 0.025 0.000 0.958 217 T CB 1.362 70.240 68.868 0.017 0.000 0.944 217 T HN 0.872 nan 8.240 nan 0.000 0.442 218 G N 2.928 111.722 108.800 -0.010 0.000 2.198 218 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.260 218 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.260 218 G C -0.012 174.861 174.900 -0.044 0.000 1.025 218 G CA 0.341 45.424 45.100 -0.028 0.000 0.769 218 G HN 0.824 nan 8.290 nan 0.000 0.507 219 E N 0.841 121.028 120.200 -0.022 0.000 2.360 219 E HA 0.478 4.827 4.350 -0.001 0.000 0.269 219 E C 0.735 177.328 176.600 -0.011 0.000 1.022 219 E CA 0.406 56.794 56.400 -0.020 0.000 0.887 219 E CB 0.394 30.136 29.700 0.069 0.000 0.990 219 E HN 0.457 nan 8.360 nan 0.000 0.426 220 T N 0.790 115.334 114.554 -0.015 0.000 2.907 220 T HA 0.478 4.827 4.350 -0.001 0.000 0.292 220 T C -0.493 174.220 174.700 0.023 0.000 1.043 220 T CA -0.907 61.193 62.100 0.001 0.000 1.003 220 T CB 1.838 70.701 68.868 -0.008 0.000 1.084 220 T HN 0.252 nan 8.240 nan 0.000 0.483 221 T N 2.723 117.292 114.554 0.025 0.000 2.815 221 T HA 0.722 5.071 4.350 -0.001 0.000 0.289 221 T C -0.235 174.477 174.700 0.020 0.000 1.000 221 T CA -0.693 61.428 62.100 0.035 0.000 0.958 221 T CB 1.189 70.080 68.868 0.038 0.000 0.944 221 T HN 1.063 nan 8.240 nan 0.000 0.442 222 T N -0.448 114.119 114.554 0.021 0.000 2.896 222 T HA 0.764 5.113 4.350 -0.001 0.000 0.297 222 T C -0.811 173.897 174.700 0.013 0.000 1.108 222 T CA -0.796 61.311 62.100 0.012 0.000 1.004 222 T CB 1.433 70.306 68.868 0.009 0.000 1.159 222 T HN 0.272 nan 8.240 nan 0.000 0.499 223 V N 1.737 121.655 119.914 0.007 0.000 2.448 223 V HA 0.668 4.788 4.120 -0.001 0.000 0.295 223 V C -0.201 175.895 176.094 0.003 0.000 1.025 223 V CA -0.743 61.560 62.300 0.005 0.000 0.859 223 V CB 1.558 33.379 31.823 -0.003 0.000 0.988 223 V HN 1.014 nan 8.190 nan 0.000 0.431 224 K N 3.521 123.925 120.400 0.006 0.000 2.579 224 K HA 0.600 4.920 4.320 -0.001 0.000 0.250 224 K C 0.675 177.278 176.600 0.006 0.000 0.952 224 K CA 0.437 56.727 56.287 0.005 0.000 0.857 224 K CB 1.341 33.846 32.500 0.008 0.000 1.123 224 K HN 0.980 nan 8.250 nan 0.000 0.433 225 G N 4.071 112.872 108.800 0.001 0.000 2.596 225 G HA2 -0.395 3.564 3.960 -0.001 0.000 0.304 225 G HA3 -0.395 3.564 3.960 -0.001 0.000 0.304 225 G C 0.287 175.188 174.900 0.001 0.000 1.189 225 G CA 0.687 45.788 45.100 0.001 0.000 0.986 225 G HN 0.848 nan 8.290 nan 0.000 0.548 226 D N 0.828 121.234 120.400 0.010 0.000 2.328 226 D HA 0.291 4.931 4.640 -0.001 0.000 0.226 226 D C 0.798 177.113 176.300 0.025 0.000 1.066 226 D CA 1.218 55.227 54.000 0.015 0.000 0.861 226 D CB -0.116 40.700 40.800 0.027 0.000 0.912 226 D HN 0.508 nan 8.370 nan 0.000 0.521 227 T N 0.750 115.318 114.554 0.022 0.000 2.881 227 T HA 0.428 4.778 4.350 -0.001 0.000 0.290 227 T C -0.912 173.802 174.700 0.024 0.000 1.000 227 T CA -0.789 61.329 62.100 0.030 0.000 0.978 227 T CB 1.980 70.869 68.868 0.034 0.000 0.997 227 T HN 0.064 nan 8.240 nan 0.000 0.443 228 L N 3.387 124.626 121.223 0.026 0.000 2.282 228 L HA 0.713 5.053 4.340 -0.001 0.000 0.288 228 L C -0.497 176.393 176.870 0.033 0.000 1.033 228 L CA 0.282 55.137 54.840 0.025 0.000 0.807 228 L CB 1.243 43.316 42.059 0.024 0.000 1.209 228 L HN 0.625 nan 8.230 nan 0.000 0.423 229 T N 4.632 119.210 114.554 0.040 0.000 2.812 229 T HA 0.600 4.950 4.350 -0.001 0.000 0.282 229 T C -0.851 173.895 174.700 0.075 0.000 0.990 229 T CA -0.413 61.721 62.100 0.057 0.000 0.960 229 T CB 1.532 70.429 68.868 0.048 0.000 0.948 229 T HN 0.340 nan 8.240 nan 0.000 0.438 230 V N 5.075 125.063 119.914 0.124 0.000 2.417 230 V HA 0.677 4.796 4.120 -0.001 0.000 0.291 230 V C -0.163 176.043 176.094 0.187 0.000 1.024 230 V CA -0.819 61.582 62.300 0.168 0.000 0.861 230 V CB 1.294 33.266 31.823 0.249 0.000 0.985 230 V HN 0.907 nan 8.190 nan 0.000 0.436 231 K N 3.190 123.621 120.400 0.052 0.000 2.527 231 K HA 0.921 5.241 4.320 -0.001 0.000 0.260 231 K C -0.437 175.929 176.600 -0.389 0.000 0.937 231 K CA -0.664 55.533 56.287 -0.150 0.000 0.826 231 K CB 2.820 35.272 32.500 -0.081 0.000 1.359 231 K HN 0.857 nan 8.250 nan 0.000 0.434 232 G N 0.127 108.354 108.800 -0.955 0.000 2.494 232 G HA2 0.656 4.616 3.960 -0.001 0.000 0.308 232 G HA3 0.656 4.616 3.960 -0.001 0.000 0.308 232 G C -1.902 172.508 174.900 -0.818 0.000 1.263 232 G CA -0.464 44.165 45.100 -0.786 0.000 0.840 232 G HN 0.797 nan 8.290 nan 0.000 0.479 233 A N -0.532 122.117 122.820 -0.284 0.000 2.414 233 A HA 0.759 5.079 4.320 -0.001 0.000 0.306 233 A C -0.345 177.365 177.584 0.210 0.000 1.054 233 A CA -0.585 51.439 52.037 -0.022 0.000 0.724 233 A CB 1.143 20.130 19.000 -0.022 0.000 1.267 233 A HN 0.821 nan 8.150 nan 0.000 0.418 234 L N 2.246 123.612 121.223 0.238 0.000 2.499 234 L HA 0.143 4.482 4.340 -0.001 0.000 0.273 234 L C 1.746 178.666 176.870 0.083 0.000 1.195 234 L CA 0.324 55.247 54.840 0.138 0.000 0.882 234 L CB 0.697 42.748 42.059 -0.014 0.000 1.133 234 L HN 1.037 nan 8.230 nan 0.000 0.483 235 G N 2.312 111.164 108.800 0.086 0.000 2.443 235 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.219 235 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.219 235 G C 1.342 176.252 174.900 0.017 0.000 1.131 235 G CA 0.401 45.529 45.100 0.047 0.000 0.775 235 G HN 0.835 nan 8.290 nan 0.000 0.547 236 N N 2.020 120.721 118.700 0.002 0.000 2.188 236 N HA -0.128 4.612 4.740 -0.001 0.000 0.184 236 N C 1.292 176.777 175.510 -0.042 0.000 1.018 236 N CA 1.807 54.843 53.050 -0.023 0.000 0.858 236 N CB -0.075 38.386 38.487 -0.043 0.000 0.989 236 N HN 0.446 nan 8.380 nan 0.000 0.426 237 N N -2.294 116.379 118.700 -0.046 0.000 2.081 237 N HA 0.151 4.890 4.740 -0.001 0.000 0.230 237 N C 0.848 176.331 175.510 -0.045 0.000 1.351 237 N CA 0.619 53.621 53.050 -0.078 0.000 0.840 237 N CB -0.046 38.343 38.487 -0.164 0.000 1.189 237 N HN 0.180 nan 8.380 nan 0.000 0.503 238 G N 0.644 109.440 108.800 -0.007 0.000 2.184 238 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.264 238 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.264 238 G C -0.172 174.748 174.900 0.034 0.000 0.975 238 G CA 0.353 45.458 45.100 0.009 0.000 0.642 238 G HN 0.481 nan 8.290 nan 0.000 0.536 239 L N 1.360 122.616 121.223 0.056 0.000 2.559 239 L HA 0.435 4.775 4.340 -0.001 0.000 0.274 239 L C 0.880 177.828 176.870 0.130 0.000 1.205 239 L CA 0.167 55.076 54.840 0.115 0.000 0.907 239 L CB 0.320 42.476 42.059 0.161 0.000 1.153 239 L HN 0.215 nan 8.230 nan 0.000 0.490 240 L N 7.028 128.318 121.223 0.112 0.000 2.380 240 L HA 0.287 4.627 4.340 -0.001 0.000 0.273 240 L C -0.630 176.330 176.870 0.149 0.000 1.138 240 L CA -0.366 54.508 54.840 0.058 0.000 0.832 240 L CB 0.227 42.312 42.059 0.043 0.000 1.124 240 L HN 0.668 nan 8.230 nan 0.000 0.454 241 Y N 1.441 121.759 120.300 0.029 0.000 2.524 241 Y HA 0.653 5.202 4.550 -0.001 0.000 0.347 241 Y C -0.882 175.128 175.900 0.182 0.000 1.005 241 Y CA -1.284 56.853 58.100 0.061 0.000 1.025 241 Y CB 1.544 39.805 38.460 -0.332 0.000 1.275 241 Y HN 0.498 nan 8.280 nan 0.000 0.460 242 N N 1.725 120.762 118.700 0.562 0.000 2.503 242 N HA 0.380 5.120 4.740 -0.001 0.000 0.287 242 N C -1.958 173.869 175.510 0.528 0.000 1.096 242 N CA -0.199 53.096 53.050 0.407 0.000 0.936 242 N CB 2.319 40.929 38.487 0.205 0.000 1.570 242 N HN 0.984 nan 8.380 nan 0.000 0.504 243 S N 2.287 118.265 115.700 0.462 0.000 2.568 243 S HA 0.666 5.135 4.470 -0.001 0.000 0.293 243 S C -0.775 173.868 174.600 0.072 0.000 1.089 243 S CA -0.668 57.626 58.200 0.158 0.000 0.945 243 S CB 2.551 65.709 63.200 -0.071 0.000 1.077 243 S HN 0.559 nan 8.310 nan 0.000 0.485 244 Q N 0.989 120.782 119.800 -0.011 0.000 2.331 244 Q HA 0.556 4.896 4.340 -0.001 0.000 0.272 244 Q C -1.377 174.611 176.000 -0.020 0.000 1.062 244 Q CA -0.487 55.321 55.803 0.007 0.000 0.806 244 Q CB 2.473 31.235 28.738 0.040 0.000 1.312 244 Q HN 0.728 nan 8.270 nan 0.000 0.431 245 I N 2.170 122.739 120.570 -0.002 0.000 2.382 245 I HA 0.369 4.539 4.170 -0.001 0.000 0.286 245 I C -0.497 175.652 176.117 0.053 0.000 1.002 245 I CA -0.638 60.671 61.300 0.016 0.000 1.135 245 I CB 1.487 39.488 38.000 0.001 0.000 1.288 245 I HN 0.323 nan 8.210 nan 0.000 0.448 246 K N 6.532 126.990 120.400 0.096 0.000 2.240 246 K HA 0.565 4.885 4.320 -0.001 0.000 0.271 246 K C -1.341 175.342 176.600 0.138 0.000 1.018 246 K CA -0.476 55.883 56.287 0.119 0.000 0.874 246 K CB 1.597 34.188 32.500 0.151 0.000 1.098 246 K HN 0.405 nan 8.250 nan 0.000 0.458 247 V N 5.226 125.197 119.914 0.095 0.000 2.328 247 V HA 0.248 4.368 4.120 -0.001 0.000 0.278 247 V C -0.557 175.584 176.094 0.078 0.000 1.021 247 V CA -0.851 61.495 62.300 0.077 0.000 0.838 247 V CB 1.411 33.261 31.823 0.045 0.000 0.999 247 V HN 0.511 nan 8.190 nan 0.000 0.447 248 V N 6.962 126.933 119.914 0.095 0.000 2.326 248 V HA 0.392 4.511 4.120 -0.001 0.000 0.281 248 V C 0.069 176.197 176.094 0.056 0.000 1.015 248 V CA -0.471 61.892 62.300 0.106 0.000 0.823 248 V CB 1.335 33.288 31.823 0.216 0.000 1.009 248 V HN 0.659 nan 8.190 nan 0.000 0.436 249 L N 3.533 124.776 121.223 0.033 0.000 2.426 249 L HA 0.293 4.632 4.340 -0.001 0.000 0.271 249 L C 0.413 177.295 176.870 0.020 0.000 1.169 249 L CA -0.315 54.533 54.840 0.014 0.000 0.836 249 L CB 0.297 42.355 42.059 -0.002 0.000 1.112 249 L HN 0.514 nan 8.230 nan 0.000 0.465 250 D N 2.649 123.054 120.400 0.008 0.000 2.488 250 D HA 0.015 4.654 4.640 -0.001 0.000 0.238 250 D C 0.416 176.725 176.300 0.015 0.000 1.138 250 D CA 0.286 54.293 54.000 0.011 0.000 0.873 250 D CB 0.227 41.025 40.800 -0.004 0.000 1.183 250 D HN 0.464 nan 8.370 nan 0.000 0.458 255 T N 0.293 114.813 114.554 -0.056 0.000 2.841 255 T HA 0.605 4.954 4.350 -0.001 0.000 0.283 255 T C -1.245 173.398 174.700 -0.095 0.000 1.000 255 T CA -0.304 61.758 62.100 -0.063 0.000 0.977 255 T CB 1.866 70.699 68.868 -0.059 0.000 0.979 255 T HN 0.617 nan 8.240 nan 0.000 0.446 256 L N 3.795 124.971 121.223 -0.079 0.000 2.343 256 L HA 0.713 5.052 4.340 -0.001 0.000 0.278 256 L C -0.283 176.541 176.870 -0.077 0.000 0.996 256 L CA -0.071 54.713 54.840 -0.095 0.000 0.831 256 L CB 1.204 43.220 42.059 -0.072 0.000 1.232 256 L HN 0.823 nan 8.230 nan 0.000 0.413 257 S N 2.041 117.686 115.700 -0.091 0.000 2.570 257 S HA 0.567 5.037 4.470 -0.001 0.000 0.286 257 S C -0.549 174.011 174.600 -0.067 0.000 1.099 257 S CA -0.897 57.261 58.200 -0.069 0.000 0.913 257 S CB 1.527 64.689 63.200 -0.064 0.000 1.085 257 S HN 0.670 nan 8.310 nan 0.000 0.480 258 E N 0.992 121.163 120.200 -0.048 0.000 2.415 258 E HA 0.361 4.711 4.350 -0.001 0.000 0.263 258 E C 0.737 177.310 176.600 -0.046 0.000 0.995 258 E CA -0.216 56.159 56.400 -0.040 0.000 0.915 258 E CB 0.088 29.771 29.700 -0.028 0.000 0.951 258 E HN 0.851 nan 8.360 nan 0.000 0.449 259 G N 2.465 111.237 108.800 -0.046 0.000 2.554 259 G HA2 -0.047 3.913 3.960 -0.001 0.000 0.238 259 G HA3 -0.047 3.913 3.960 -0.001 0.000 0.238 259 G C 0.997 175.874 174.900 -0.038 0.000 1.259 259 G CA 0.114 45.186 45.100 -0.048 0.000 0.843 259 G HN 0.681 nan 8.290 nan 0.000 0.582 260 S N 0.338 116.014 115.700 -0.039 0.000 2.399 260 S HA -0.184 4.286 4.470 -0.001 0.000 0.231 260 S C 1.685 176.267 174.600 -0.030 0.000 1.022 260 S CA 1.639 59.819 58.200 -0.033 0.000 0.983 260 S CB -0.231 62.949 63.200 -0.034 0.000 0.803 260 S HN 0.706 nan 8.310 nan 0.000 0.480 261 D N 1.132 121.514 120.400 -0.031 0.000 2.378 261 D HA 0.128 4.768 4.640 -0.001 0.000 0.222 261 D C 1.553 177.840 176.300 -0.022 0.000 0.980 261 D CA 0.792 54.776 54.000 -0.028 0.000 0.907 261 D CB -1.236 39.545 40.800 -0.032 0.000 0.899 261 D HN 0.673 nan 8.370 nan 0.000 0.527 262 G N -0.373 108.414 108.800 -0.021 0.000 2.175 262 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.265 262 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.265 262 G C 0.779 175.673 174.900 -0.010 0.000 0.979 262 G CA 0.511 45.602 45.100 -0.016 0.000 0.663 262 G HN 1.066 nan 8.290 nan 0.000 0.533 263 A N -0.775 122.039 122.820 -0.010 0.000 2.609 263 A HA 0.761 5.080 4.320 -0.001 0.000 0.286 263 A C 0.686 178.273 177.584 0.006 0.000 1.138 263 A CA 1.346 53.383 52.037 0.000 0.000 0.960 263 A CB 0.279 19.278 19.000 -0.002 0.000 1.208 263 A HN 1.988 nan 8.150 nan 0.000 0.541 264 S N -1.165 114.533 115.700 -0.003 0.000 2.588 264 S HA 0.786 5.255 4.470 -0.001 0.000 0.269 264 S C -1.245 173.344 174.600 -0.018 0.000 1.157 264 S CA -0.676 57.523 58.200 -0.001 0.000 0.824 264 S CB 1.016 64.213 63.200 -0.006 0.000 1.126 264 S HN 0.227 nan 8.310 nan 0.000 0.464 265 L N 1.070 122.278 121.223 -0.024 0.000 2.342 265 L HA 0.657 4.996 4.340 -0.001 0.000 0.271 265 L C -0.356 176.440 176.870 -0.123 0.000 1.008 265 L CA -0.623 54.181 54.840 -0.060 0.000 0.818 265 L CB 2.045 44.076 42.059 -0.046 0.000 1.296 265 L HN 0.785 nan 8.230 nan 0.000 0.427 266 K N 2.278 122.579 120.400 -0.165 0.000 2.358 266 K HA 0.547 4.867 4.320 -0.001 0.000 0.260 266 K C -1.573 174.832 176.600 -0.325 0.000 0.956 266 K CA -0.535 55.607 56.287 -0.243 0.000 0.834 266 K CB 1.784 34.186 32.500 -0.163 0.000 1.102 266 K HN 0.328 nan 8.250 nan 0.000 0.431 267 V N 3.847 123.416 119.914 -0.575 0.000 2.394 267 V HA 0.335 4.455 4.120 -0.001 0.000 0.282 267 V C -0.461 175.376 176.094 -0.429 0.000 1.031 267 V CA -0.401 61.550 62.300 -0.582 0.000 0.881 267 V CB 1.302 32.498 31.823 -1.046 0.000 0.982 267 V HN 0.938 nan 8.190 nan 0.000 0.451 268 S N 2.463 118.021 115.700 -0.238 0.000 2.570 268 S HA 0.566 5.036 4.470 -0.001 0.000 0.286 268 S C -0.482 174.071 174.600 -0.077 0.000 1.099 268 S CA -0.770 57.345 58.200 -0.142 0.000 0.913 268 S CB 1.889 65.025 63.200 -0.105 0.000 1.085 268 S HN 0.762 nan 8.310 nan 0.000 0.480 269 D N -0.002 120.381 120.400 -0.029 0.000 2.708 269 D HA -0.148 4.492 4.640 -0.001 0.000 0.236 269 D C 0.247 176.547 176.300 0.001 0.000 1.146 269 D CA 1.352 55.352 54.000 0.001 0.000 0.662 269 D CB -1.286 39.511 40.800 -0.005 0.000 1.059 269 D HN 0.900 nan 8.370 nan 0.000 0.428 270 A N -0.354 122.471 122.820 0.007 0.000 2.373 270 A HA 0.629 4.948 4.320 -0.001 0.000 0.291 270 A C 1.111 178.719 177.584 0.040 0.000 1.171 270 A CA -0.234 51.810 52.037 0.012 0.000 0.922 270 A CB 1.970 20.967 19.000 -0.006 0.000 1.400 270 A HN 0.050 nan 8.150 nan 0.000 0.474 271 K N -1.932 118.486 120.400 0.030 0.000 2.424 271 K HA 0.523 4.843 4.320 -0.001 0.000 0.200 271 K C 0.019 176.630 176.600 0.019 0.000 1.279 271 K CA 0.909 57.210 56.287 0.023 0.000 0.918 271 K CB 0.845 33.344 32.500 -0.001 0.000 1.287 271 K HN 0.904 nan 8.250 nan 0.000 0.502 272 A N 1.104 123.928 122.820 0.006 0.000 2.520 272 A HA 0.574 4.894 4.320 -0.001 0.000 0.298 272 A C -1.289 176.283 177.584 -0.020 0.000 1.051 272 A CA -0.600 51.423 52.037 -0.022 0.000 0.690 272 A CB 1.698 20.654 19.000 -0.072 0.000 1.281 272 A HN 0.066 nan 8.150 nan 0.000 0.402 273 V N -1.269 118.625 119.914 -0.033 0.000 3.049 273 V HA 0.938 5.058 4.120 -0.001 0.000 0.309 273 V C -0.641 175.377 176.094 -0.127 0.000 1.148 273 V CA -0.509 61.777 62.300 -0.023 0.000 0.990 273 V CB 1.570 33.454 31.823 0.101 0.000 1.039 273 V HN 0.925 nan 8.190 nan 0.000 0.430 274 T N 4.675 119.145 114.554 -0.140 0.000 2.807 274 T HA 0.762 5.111 4.350 -0.001 0.000 0.279 274 T C -0.883 173.659 174.700 -0.263 0.000 0.993 274 T CA -0.268 61.659 62.100 -0.289 0.000 0.970 274 T CB 1.311 69.984 68.868 -0.325 0.000 0.950 274 T HN 0.609 nan 8.240 nan 0.000 0.441 275 L N 3.382 124.409 121.223 -0.326 0.000 2.296 275 L HA 0.482 4.822 4.340 -0.001 0.000 0.286 275 L C -0.994 175.638 176.870 -0.397 0.000 1.023 275 L CA -0.596 54.122 54.840 -0.203 0.000 0.812 275 L CB 0.642 42.651 42.059 -0.084 0.000 1.223 275 L HN 0.615 nan 8.230 nan 0.000 0.421 276 Y N 4.404 124.712 120.300 0.013 0.000 2.335 276 Y HA 0.576 5.125 4.550 -0.001 0.000 0.339 276 Y C -0.201 175.702 175.900 0.005 0.000 0.987 276 Y CA -0.492 57.614 58.100 0.011 0.000 1.140 276 Y CB 1.031 39.509 38.460 0.029 0.000 1.173 276 Y HN 0.348 nan 8.280 nan 0.000 0.486 277 I N 3.438 124.076 120.570 0.113 0.000 2.378 277 I HA 0.734 4.904 4.170 -0.001 0.000 0.291 277 I C -0.179 175.983 176.117 0.075 0.000 0.992 277 I CA -0.413 60.912 61.300 0.042 0.000 1.154 277 I CB 1.534 39.520 38.000 -0.024 0.000 1.315 277 I HN 0.661 nan 8.210 nan 0.000 0.448 278 A N 4.613 127.451 122.820 0.029 0.000 2.469 278 A HA 1.031 5.351 4.320 -0.001 0.000 0.299 278 A C -1.092 176.491 177.584 -0.002 0.000 1.098 278 A CA -0.536 51.537 52.037 0.060 0.000 0.737 278 A CB 1.848 20.895 19.000 0.080 0.000 1.312 278 A HN 0.908 nan 8.150 nan 0.000 0.414 279 A N -0.505 122.339 122.820 0.039 0.000 2.612 279 A HA 1.014 5.333 4.320 -0.001 0.000 0.293 279 A C -0.591 177.063 177.584 0.116 0.000 1.075 279 A CA 0.060 52.083 52.037 -0.022 0.000 0.680 279 A CB 1.118 19.869 19.000 -0.415 0.000 1.279 279 A HN 2.721 nan 8.150 nan 0.000 0.411 280 A N -0.071 122.923 122.820 0.290 0.000 2.601 280 A HA 0.935 5.254 4.320 -0.001 0.000 0.291 280 A C -0.260 177.605 177.584 0.469 0.000 1.075 280 A CA 0.229 52.462 52.037 0.327 0.000 0.671 280 A CB 0.780 19.915 19.000 0.225 0.000 1.277 280 A HN 2.381 nan 8.150 nan 0.000 0.417 281 T N -2.038 112.755 114.554 0.398 0.000 2.883 281 T HA 0.605 4.954 4.350 -0.001 0.000 0.284 281 T C -0.135 174.729 174.700 0.273 0.000 1.041 281 T CA 0.311 62.623 62.100 0.352 0.000 1.007 281 T CB 1.522 70.607 68.868 0.361 0.000 1.220 281 T HN 0.779 nan 8.240 nan 0.000 0.552 282 D N -0.614 119.927 120.400 0.234 0.000 2.336 282 D HA 0.032 4.672 4.640 -0.001 0.000 0.228 282 D C 0.208 176.633 176.300 0.207 0.000 1.120 282 D CA -0.548 53.562 54.000 0.183 0.000 0.839 282 D CB -0.912 39.960 40.800 0.119 0.000 0.932 282 D HN 0.571 nan 8.370 nan 0.000 0.509 283 Y N 2.044 122.453 120.300 0.182 0.000 2.683 283 Y HA 0.134 4.684 4.550 -0.001 0.000 0.340 283 Y C 0.108 176.106 175.900 0.163 0.000 1.245 283 Y CA 0.354 58.578 58.100 0.207 0.000 1.485 283 Y CB 0.526 39.110 38.460 0.207 0.000 1.328 283 Y HN -0.113 nan 8.280 nan 0.000 0.603 284 K N 4.863 124.770 120.400 -0.821 0.000 2.525 284 K HA 0.158 4.477 4.320 -0.001 0.000 0.254 284 K C -1.454 174.622 176.600 -0.873 0.000 0.934 284 K CA -0.792 55.111 56.287 -0.639 0.000 0.802 284 K CB 1.573 33.924 32.500 -0.248 0.000 1.295 284 K HN 0.769 nan 8.250 nan 0.000 0.433 285 Q N 4.005 123.544 119.800 -0.435 0.000 2.513 285 Q HA 0.068 4.407 4.340 -0.001 0.000 0.227 285 Q C -1.311 174.575 176.000 -0.191 0.000 1.257 285 Q CA 0.369 56.117 55.803 -0.092 0.000 0.915 285 Q CB 0.220 29.047 28.738 0.148 0.000 1.507 285 Q HN 0.369 nan 8.270 nan 0.000 0.543 286 K N 3.493 123.626 120.400 -0.446 0.000 2.695 286 K HA 0.111 4.431 4.320 -0.001 0.000 0.255 286 K C -1.964 174.164 176.600 -0.786 0.000 1.016 286 K CA -0.654 55.370 56.287 -0.438 0.000 0.928 286 K CB 0.852 33.173 32.500 -0.299 0.000 1.235 286 K HN 0.410 nan 8.250 nan 0.000 0.467 287 Y N 5.774 125.644 120.300 -0.717 0.000 2.346 287 Y HA 0.286 4.836 4.550 -0.001 0.000 0.330 287 Y C -1.602 174.111 175.900 -0.310 0.000 1.178 287 Y CA -1.181 56.544 58.100 -0.625 0.000 1.331 287 Y CB 1.122 39.437 38.460 -0.242 0.000 1.253 287 Y HN 0.542 nan 8.280 nan 0.000 0.529 288 P HA -0.003 nan 4.420 nan 0.000 0.252 288 P C 0.839 177.955 177.300 -0.307 0.000 1.218 288 P CA 1.008 63.522 63.100 -0.975 0.000 0.807 288 P CB 0.352 31.467 31.700 -0.975 0.000 1.072 289 S N -1.028 114.501 115.700 -0.285 0.000 2.446 289 S HA -0.116 4.354 4.470 -0.001 0.000 0.225 289 S C 0.773 175.395 174.600 0.037 0.000 1.016 289 S CA -0.056 58.088 58.200 -0.094 0.000 0.943 289 S CB -1.288 61.848 63.200 -0.107 0.000 0.786 289 S HN 0.040 nan 8.310 nan 0.000 0.508 290 Y N 1.561 121.817 120.300 -0.073 0.000 3.589 290 Y HA -0.164 4.385 4.550 -0.001 0.000 0.218 290 Y C 0.413 176.228 175.900 -0.142 0.000 1.234 290 Y CA 0.547 58.587 58.100 -0.100 0.000 1.576 290 Y CB -1.751 36.814 38.460 0.175 0.000 1.487 290 Y HN 0.312 nan 8.280 nan 0.000 0.616 291 R N -1.055 119.410 120.500 -0.059 0.000 2.771 291 R HA 0.451 4.790 4.340 -0.001 0.000 0.274 291 R C 1.219 177.487 176.300 -0.054 0.000 0.987 291 R CA 0.039 56.125 56.100 -0.024 0.000 0.908 291 R CB 1.093 31.401 30.300 0.014 0.000 1.213 291 R HN 0.123 nan 8.270 nan 0.000 0.468 292 T N -2.274 112.271 114.554 -0.015 0.000 2.951 292 T HA 0.013 4.363 4.350 -0.001 0.000 0.268 292 T C 1.315 176.009 174.700 -0.009 0.000 1.073 292 T CA 1.236 63.331 62.100 -0.010 0.000 1.134 292 T CB 0.013 68.897 68.868 0.026 0.000 0.884 292 T HN 0.893 nan 8.240 nan 0.000 0.479 293 G N 1.029 109.828 108.800 -0.002 0.000 2.175 293 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.244 293 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.244 293 G C -0.145 174.760 174.900 0.009 0.000 0.982 293 G CA 0.088 45.187 45.100 -0.002 0.000 0.641 293 G HN 0.672 nan 8.290 nan 0.000 0.527 294 E N 1.475 121.688 120.200 0.021 0.000 2.418 294 E HA 0.432 4.782 4.350 -0.001 0.000 0.261 294 E C 1.252 177.866 176.600 0.024 0.000 1.070 294 E CA 0.568 56.984 56.400 0.027 0.000 0.931 294 E CB 0.516 30.241 29.700 0.041 0.000 0.954 294 E HN 0.471 nan 8.360 nan 0.000 0.439 295 T N -1.399 113.166 114.554 0.019 0.000 2.824 295 T HA 0.398 4.748 4.350 -0.001 0.000 0.277 295 T C 1.114 175.825 174.700 0.017 0.000 0.975 295 T CA -0.314 61.795 62.100 0.014 0.000 0.966 295 T CB 1.402 70.275 68.868 0.009 0.000 1.054 295 T HN 0.459 nan 8.240 nan 0.000 0.533 296 A N 0.717 123.541 122.820 0.006 0.000 1.933 296 A HA 0.175 4.495 4.320 -0.001 0.000 0.218 296 A C 2.640 180.229 177.584 0.009 0.000 1.175 296 A CA 1.842 53.879 52.037 -0.000 0.000 0.628 296 A CB -1.586 17.400 19.000 -0.024 0.000 0.814 296 A HN 1.246 nan 8.150 nan 0.000 0.444 297 A N -0.235 122.589 122.820 0.008 0.000 1.933 297 A HA -0.188 4.132 4.320 -0.001 0.000 0.218 297 A C 1.917 179.514 177.584 0.022 0.000 1.175 297 A CA 1.727 53.772 52.037 0.012 0.000 0.628 297 A CB -0.502 18.503 19.000 0.009 0.000 0.814 297 A HN 0.650 nan 8.150 nan 0.000 0.444 298 E N -0.489 119.725 120.200 0.024 0.000 2.072 298 E HA -0.113 4.237 4.350 -0.001 0.000 0.191 298 E C 1.964 178.591 176.600 0.044 0.000 0.985 298 E CA 1.256 57.675 56.400 0.031 0.000 0.801 298 E CB -0.237 29.481 29.700 0.029 0.000 0.750 298 E HN 0.388 nan 8.360 nan 0.000 0.452 299 V N 2.166 122.112 119.914 0.053 0.000 2.407 299 V HA -0.284 3.835 4.120 -0.001 0.000 0.248 299 V C 2.226 178.366 176.094 0.076 0.000 1.055 299 V CA 1.741 64.087 62.300 0.077 0.000 1.049 299 V CB -0.673 31.207 31.823 0.094 0.000 0.662 299 V HN 0.391 nan 8.190 nan 0.000 0.455 300 N N 0.102 118.836 118.700 0.057 0.000 2.084 300 N HA -0.188 4.552 4.740 -0.001 0.000 0.190 300 N C 1.795 177.335 175.510 0.049 0.000 1.030 300 N CA 2.104 55.186 53.050 0.053 0.000 0.849 300 N CB -0.021 38.487 38.487 0.034 0.000 1.012 300 N HN 0.473 nan 8.380 nan 0.000 0.423 301 T N 0.941 115.519 114.554 0.041 0.000 2.746 301 T HA -0.120 4.230 4.350 -0.001 0.000 0.267 301 T C 1.934 176.660 174.700 0.042 0.000 1.039 301 T CA 0.925 63.047 62.100 0.036 0.000 1.142 301 T CB -0.178 68.707 68.868 0.029 0.000 0.866 301 T HN 0.326 nan 8.240 nan 0.000 0.444 302 R N 0.549 121.080 120.500 0.052 0.000 2.073 302 R HA -0.087 4.252 4.340 -0.001 0.000 0.234 302 R C 2.323 178.662 176.300 0.064 0.000 1.134 302 R CA 1.351 57.486 56.100 0.058 0.000 0.952 302 R CB -0.520 29.822 30.300 0.069 0.000 0.850 302 R HN 0.228 nan 8.270 nan 0.000 0.433 303 V N 1.071 121.031 119.914 0.075 0.000 2.295 303 V HA -0.211 3.909 4.120 -0.001 0.000 0.246 303 V C 2.507 178.637 176.094 0.061 0.000 1.049 303 V CA 1.858 64.206 62.300 0.080 0.000 1.024 303 V CB -0.829 31.054 31.823 0.101 0.000 0.648 303 V HN 0.563 nan 8.190 nan 0.000 0.447 304 A N 0.094 122.945 122.820 0.052 0.000 1.892 304 A HA -0.328 3.992 4.320 -0.001 0.000 0.218 304 A C 2.332 179.934 177.584 0.029 0.000 1.188 304 A CA 2.477 54.537 52.037 0.039 0.000 0.631 304 A CB -0.579 18.441 19.000 0.034 0.000 0.822 304 A HN 0.548 nan 8.150 nan 0.000 0.447 305 K N -0.359 120.058 120.400 0.030 0.000 2.103 305 K HA -0.107 4.213 4.320 -0.001 0.000 0.207 305 K C 1.760 178.371 176.600 0.019 0.000 1.048 305 K CA 1.539 57.838 56.287 0.021 0.000 0.930 305 K CB -0.302 32.213 32.500 0.026 0.000 0.716 305 K HN 0.249 nan 8.250 nan 0.000 0.444 306 V N 1.104 121.039 119.914 0.034 0.000 2.255 306 V HA -0.279 3.841 4.120 -0.001 0.000 0.247 306 V C 2.363 178.466 176.094 0.015 0.000 1.051 306 V CA 1.996 64.320 62.300 0.039 0.000 1.018 306 V CB -0.577 31.285 31.823 0.066 0.000 0.641 306 V HN 0.437 nan 8.190 nan 0.000 0.445 307 V N -1.528 118.399 119.914 0.023 0.000 2.515 307 V HA -0.256 3.864 4.120 -0.001 0.000 0.250 307 V C 2.320 178.355 176.094 -0.098 0.000 1.058 307 V CA 2.254 64.556 62.300 0.003 0.000 1.064 307 V CB -0.862 31.005 31.823 0.074 0.000 0.675 307 V HN 0.510 nan 8.190 nan 0.000 0.461 308 Q N 1.148 120.915 119.800 -0.055 0.000 2.016 308 Q HA -0.160 4.180 4.340 -0.001 0.000 0.200 308 Q C 1.903 177.845 176.000 -0.096 0.000 0.978 308 Q CA 2.344 58.107 55.803 -0.067 0.000 0.833 308 Q CB -0.648 28.075 28.738 -0.024 0.000 0.895 308 Q HN 0.683 nan 8.270 nan 0.000 0.427 309 D N -0.011 120.350 120.400 -0.065 0.000 2.116 309 D HA -0.186 4.454 4.640 -0.001 0.000 0.193 309 D C 1.648 177.884 176.300 -0.107 0.000 0.998 309 D CA 1.703 55.669 54.000 -0.057 0.000 0.836 309 D CB -0.533 40.257 40.800 -0.017 0.000 0.951 309 D HN 0.396 nan 8.370 nan 0.000 0.449 310 A N 1.094 123.814 122.820 -0.166 0.000 1.865 310 A HA -0.128 4.191 4.320 -0.001 0.000 0.217 310 A C 2.355 179.601 177.584 -0.564 0.000 1.191 310 A CA 2.790 54.654 52.037 -0.289 0.000 0.623 310 A CB -1.002 17.817 19.000 -0.302 0.000 0.826 310 A HN 0.255 nan 8.150 nan 0.000 0.444 311 A N 0.008 122.365 122.820 -0.772 0.000 1.908 311 A HA -0.231 4.089 4.320 -0.001 0.000 0.218 311 A C 1.912 179.379 177.584 -0.195 0.000 1.181 311 A CA 2.023 53.705 52.037 -0.592 0.000 0.627 311 A CB -0.732 18.071 19.000 -0.328 0.000 0.818 311 A HN 0.565 nan 8.150 nan 0.000 0.445 312 N N 0.063 118.680 118.700 -0.139 0.000 2.104 312 N HA -0.137 4.603 4.740 -0.001 0.000 0.190 312 N C 1.609 177.105 175.510 -0.024 0.000 1.024 312 N CA 1.626 54.644 53.050 -0.053 0.000 0.853 312 N CB -0.346 38.118 38.487 -0.039 0.000 1.008 312 N HN 0.572 nan 8.380 nan 0.000 0.424 313 K N -0.025 120.356 120.400 -0.032 0.000 2.097 313 K HA 0.028 4.348 4.320 -0.001 0.000 0.206 313 K C 0.812 177.443 176.600 0.052 0.000 1.049 313 K CA 0.817 57.112 56.287 0.013 0.000 0.933 313 K CB -0.265 32.249 32.500 0.023 0.000 0.717 313 K HN 0.332 nan 8.250 nan 0.000 0.442 314 G N -0.151 108.688 108.800 0.066 0.000 2.712 314 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.686 314 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.686 314 G C 0.009 175.090 174.900 0.301 0.000 1.321 314 G CA -0.057 45.155 45.100 0.186 0.000 0.813 314 G HN 0.211 nan 8.290 nan 0.000 0.599 315 Y N 0.782 121.242 120.300 0.268 0.000 2.081 315 Y HA -0.161 4.389 4.550 -0.001 0.000 0.280 315 Y C 3.136 179.160 175.900 0.206 0.000 1.163 315 Y CA 3.401 61.656 58.100 0.258 0.000 1.135 315 Y CB -0.627 37.928 38.460 0.158 0.000 0.970 315 Y HN 0.732 nan 8.280 nan 0.000 0.498 316 T N 0.841 115.401 114.554 0.010 0.000 2.635 316 T HA -0.261 4.088 4.350 -0.001 0.000 0.267 316 T C 2.094 176.740 174.700 -0.090 0.000 1.040 316 T CA 2.012 64.046 62.100 -0.110 0.000 1.156 316 T CB -0.934 67.960 68.868 0.044 0.000 0.863 316 T HN 0.519 nan 8.240 nan 0.000 0.430 317 A N 0.645 123.468 122.820 0.006 0.000 1.930 317 A HA 0.015 4.334 4.320 -0.001 0.000 0.217 317 A C 2.597 180.204 177.584 0.038 0.000 1.175 317 A CA 1.121 53.170 52.037 0.021 0.000 0.627 317 A CB -0.883 18.143 19.000 0.043 0.000 0.815 317 A HN 0.350 nan 8.150 nan 0.000 0.443 318 V N 0.392 120.359 119.914 0.087 0.000 2.261 318 V HA -0.287 3.833 4.120 -0.001 0.000 0.246 318 V C 2.551 178.733 176.094 0.146 0.000 1.047 318 V CA 2.446 64.853 62.300 0.177 0.000 1.015 318 V CB -0.677 31.339 31.823 0.322 0.000 0.642 318 V HN 0.725 nan 8.190 nan 0.000 0.446 319 K N 0.495 120.895 120.400 -0.001 0.000 2.032 319 K HA -0.272 4.047 4.320 -0.001 0.000 0.209 319 K C 2.303 178.772 176.600 -0.217 0.000 1.048 319 K CA 2.111 58.231 56.287 -0.278 0.000 0.927 319 K CB -0.247 31.942 32.500 -0.517 0.000 0.712 319 K HN 0.393 nan 8.250 nan 0.000 0.441 320 K N 0.052 120.373 120.400 -0.132 0.000 2.026 320 K HA -0.145 4.174 4.320 -0.001 0.000 0.208 320 K C 1.996 178.571 176.600 -0.042 0.000 1.048 320 K CA 1.382 57.620 56.287 -0.081 0.000 0.929 320 K CB -0.259 32.213 32.500 -0.048 0.000 0.713 320 K HN 0.251 nan 8.250 nan 0.000 0.439 321 A N 1.274 124.097 122.820 0.005 0.000 1.972 321 A HA -0.224 4.096 4.320 -0.001 0.000 0.219 321 A C 2.164 179.779 177.584 0.051 0.000 1.169 321 A CA 1.662 53.722 52.037 0.039 0.000 0.635 321 A CB -0.943 18.101 19.000 0.073 0.000 0.810 321 A HN 0.619 nan 8.150 nan 0.000 0.446 322 H N -0.036 119.015 119.070 -0.032 0.000 2.299 322 H HA -0.060 4.496 4.556 -0.001 0.000 0.302 322 H C 1.953 177.249 175.328 -0.053 0.000 1.078 322 H CA 1.980 58.003 56.048 -0.042 0.000 1.323 322 H CB -0.150 29.494 29.762 -0.197 0.000 1.381 322 H HN 0.455 nan 8.280 nan 0.000 0.498 323 I N 1.002 121.372 120.570 -0.333 0.000 2.315 323 I HA -0.231 3.938 4.170 -0.001 0.000 0.248 323 I C 2.119 178.154 176.117 -0.135 0.000 1.117 323 I CA 1.125 62.246 61.300 -0.299 0.000 1.404 323 I CB -0.274 37.619 38.000 -0.179 0.000 1.071 323 I HN 0.222 nan 8.210 nan 0.000 0.419 324 D N 0.742 121.093 120.400 -0.082 0.000 2.097 324 D HA -0.226 4.413 4.640 -0.001 0.000 0.195 324 D C 1.743 178.033 176.300 -0.016 0.000 0.989 324 D CA 1.659 55.643 54.000 -0.026 0.000 0.827 324 D CB -0.348 40.447 40.800 -0.009 0.000 0.966 324 D HN 0.405 nan 8.370 nan 0.000 0.456 325 D N -0.668 119.716 120.400 -0.026 0.000 2.097 325 D HA -0.205 4.435 4.640 -0.001 0.000 0.197 325 D C 2.035 178.333 176.300 -0.004 0.000 0.984 325 D CA 1.132 55.134 54.000 0.003 0.000 0.826 325 D CB -0.029 40.796 40.800 0.042 0.000 0.973 325 D HN 0.192 nan 8.370 nan 0.000 0.460 326 H N -0.022 118.949 119.070 -0.164 0.000 2.293 326 H HA -0.122 4.434 4.556 -0.001 0.000 0.300 326 H C 2.096 177.436 175.328 0.019 0.000 1.082 326 H CA 2.197 58.178 56.048 -0.113 0.000 1.308 326 H CB -0.309 29.272 29.762 -0.302 0.000 1.375 326 H HN 0.315 nan 8.280 nan 0.000 0.495 327 S N 0.386 116.136 115.700 0.082 0.000 2.447 327 S HA 0.013 4.483 4.470 -0.001 0.000 0.233 327 S C 2.394 177.041 174.600 0.079 0.000 1.006 327 S CA 0.729 59.011 58.200 0.136 0.000 0.957 327 S CB -0.381 62.904 63.200 0.142 0.000 0.773 327 S HN 0.545 nan 8.310 nan 0.000 0.507 328 A N 1.917 124.757 122.820 0.032 0.000 1.933 328 A HA 0.102 4.422 4.320 -0.001 0.000 0.218 328 A C 2.148 179.743 177.584 0.018 0.000 1.175 328 A CA 1.443 53.497 52.037 0.028 0.000 0.628 328 A CB -0.667 18.345 19.000 0.020 0.000 0.814 328 A HN 0.612 nan 8.150 nan 0.000 0.444 329 I N -2.799 117.765 120.570 -0.009 0.000 2.339 329 I HA -0.121 4.048 4.170 -0.001 0.000 0.245 329 I C 2.410 178.519 176.117 -0.013 0.000 1.096 329 I CA 1.172 62.459 61.300 -0.021 0.000 1.408 329 I CB -0.422 37.550 38.000 -0.047 0.000 1.092 329 I HN 0.445 nan 8.210 nan 0.000 0.423 330 Y N 1.985 122.192 120.300 -0.154 0.000 2.181 330 Y HA -0.263 4.286 4.550 -0.001 0.000 0.288 330 Y C 1.849 177.765 175.900 0.027 0.000 1.146 330 Y CA 1.672 59.721 58.100 -0.085 0.000 1.164 330 Y CB -0.148 38.238 38.460 -0.123 0.000 0.982 330 Y HN 0.162 nan 8.280 nan 0.000 0.515 331 D N -0.231 120.232 120.400 0.104 0.000 2.363 331 D HA -0.036 4.603 4.640 -0.001 0.000 0.226 331 D C 1.820 178.124 176.300 0.007 0.000 1.020 331 D CA 0.395 54.434 54.000 0.064 0.000 0.892 331 D CB -0.120 40.761 40.800 0.135 0.000 0.900 331 D HN 0.474 nan 8.370 nan 0.000 0.531 332 R N -0.071 120.421 120.500 -0.014 0.000 2.152 332 R HA -0.023 4.317 4.340 -0.001 0.000 0.232 332 R C 0.431 176.738 176.300 0.012 0.000 1.117 332 R CA 0.634 56.738 56.100 0.006 0.000 0.981 332 R CB 0.188 30.495 30.300 0.011 0.000 0.870 332 R HN 0.020 nan 8.270 nan 0.000 0.451 333 V N 2.030 121.932 119.914 -0.020 0.000 2.540 333 V HA 0.268 4.388 4.120 -0.001 0.000 0.302 333 V C -0.410 175.689 176.094 0.010 0.000 1.035 333 V CA -0.878 61.437 62.300 0.025 0.000 0.873 333 V CB 2.132 34.001 31.823 0.078 0.000 0.992 333 V HN -0.005 nan 8.190 nan 0.000 0.428 334 K N 4.604 125.026 120.400 0.037 0.000 2.316 334 K HA 0.676 4.996 4.320 -0.001 0.000 0.251 334 K C -1.118 175.492 176.600 0.017 0.000 0.934 334 K CA -0.534 55.769 56.287 0.027 0.000 0.802 334 K CB 3.127 35.639 32.500 0.019 0.000 1.171 334 K HN 0.679 nan 8.250 nan 0.000 0.426 335 I N 1.163 121.729 120.570 -0.007 0.000 2.534 335 I HA 0.246 4.415 4.170 -0.001 0.000 0.288 335 I C -1.609 174.445 176.117 -0.105 0.000 1.077 335 I CA -0.492 60.762 61.300 -0.076 0.000 1.051 335 I CB 1.917 39.808 38.000 -0.182 0.000 1.234 335 I HN 0.465 nan 8.210 nan 0.000 0.425 336 D N 7.446 127.751 120.400 -0.157 0.000 2.473 336 D HA 0.345 4.985 4.640 -0.001 0.000 0.253 336 D C -0.337 175.790 176.300 -0.288 0.000 1.233 336 D CA -0.264 53.623 54.000 -0.189 0.000 0.908 336 D CB 1.377 42.078 40.800 -0.164 0.000 1.170 336 D HN 0.520 nan 8.370 nan 0.000 0.558 337 L N 2.789 123.837 121.223 -0.292 0.000 2.769 337 L HA 0.403 4.742 4.340 -0.001 0.000 0.240 337 L C 1.410 178.139 176.870 -0.235 0.000 1.163 337 L CA 0.076 54.704 54.840 -0.354 0.000 0.962 337 L CB 0.320 42.029 42.059 -0.584 0.000 1.258 337 L HN 0.714 nan 8.230 nan 0.000 0.513 338 G N 0.436 109.126 108.800 -0.182 0.000 2.131 338 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.223 338 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.223 338 G C 0.297 175.148 174.900 -0.081 0.000 0.990 338 G CA 0.036 45.063 45.100 -0.121 0.000 0.671 338 G HN 0.454 nan 8.290 nan 0.000 0.521 339 Q N 1.040 120.791 119.800 -0.082 0.000 2.432 339 Q HA 0.460 4.800 4.340 -0.001 0.000 0.264 339 Q C 0.695 176.674 176.000 -0.036 0.000 1.035 339 Q CA 0.626 56.404 55.803 -0.041 0.000 0.908 339 Q CB 0.707 29.426 28.738 -0.032 0.000 1.280 339 Q HN 1.010 nan 8.270 nan 0.000 0.455 340 S N 0.547 116.238 115.700 -0.015 0.000 2.655 340 S HA 0.817 5.287 4.470 -0.001 0.000 0.265 340 S C 0.325 174.915 174.600 -0.015 0.000 1.240 340 S CA -0.198 57.990 58.200 -0.021 0.000 0.986 340 S CB 1.321 64.521 63.200 0.001 0.000 0.985 340 S HN 0.965 nan 8.310 nan 0.000 0.562 341 G N -0.894 107.879 108.800 -0.045 0.000 2.827 341 G HA2 0.473 4.433 3.960 -0.001 0.000 0.296 341 G HA3 0.473 4.433 3.960 -0.001 0.000 0.296 341 G C 0.011 174.870 174.900 -0.069 0.000 1.362 341 G CA -0.249 44.826 45.100 -0.041 0.000 0.809 341 G HN 0.965 nan 8.290 nan 0.000 0.522 342 H N -1.515 117.490 119.070 -0.107 0.000 2.521 342 H HA 0.033 4.588 4.556 -0.001 0.000 0.286 342 H C 1.908 176.986 175.328 -0.418 0.000 1.034 342 H CA 1.954 57.858 56.048 -0.239 0.000 1.278 342 H CB 0.172 29.541 29.762 -0.654 0.000 1.386 342 H HN 0.359 nan 8.280 nan 0.000 0.567 343 S N -0.550 114.643 115.700 -0.845 0.000 2.597 343 S HA 0.218 4.688 4.470 -0.001 0.000 0.224 343 S C 0.296 174.711 174.600 -0.308 0.000 0.955 343 S CA -0.580 57.273 58.200 -0.578 0.000 0.933 343 S CB -0.070 62.728 63.200 -0.669 0.000 0.788 343 S HN 0.273 nan 8.310 nan 0.000 0.488 344 S N 2.940 118.510 115.700 -0.216 0.000 2.576 344 S HA 0.216 4.685 4.470 -0.001 0.000 0.276 344 S C -0.251 174.305 174.600 -0.074 0.000 1.339 344 S CA -0.417 57.712 58.200 -0.119 0.000 1.039 344 S CB 0.286 63.446 63.200 -0.067 0.000 0.902 344 S HN 0.464 nan 8.310 nan 0.000 0.516 345 D N 1.405 121.770 120.400 -0.059 0.000 2.493 345 D HA 0.273 4.913 4.640 -0.001 0.000 0.240 345 D C 1.249 177.546 176.300 -0.005 0.000 1.142 345 D CA 1.194 55.174 54.000 -0.032 0.000 0.872 345 D CB 0.201 40.984 40.800 -0.029 0.000 1.173 345 D HN 0.862 nan 8.370 nan 0.000 0.467 346 G N 1.418 110.228 108.800 0.016 0.000 2.198 346 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.260 346 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.260 346 G C 0.533 175.479 174.900 0.076 0.000 1.025 346 G CA 0.231 45.356 45.100 0.042 0.000 0.769 346 G HN 0.864 nan 8.290 nan 0.000 0.507 347 A N -0.768 122.115 122.820 0.105 0.000 2.540 347 A HA 0.582 4.901 4.320 -0.001 0.000 0.239 347 A C 0.962 178.737 177.584 0.319 0.000 1.061 347 A CA 0.659 52.820 52.037 0.208 0.000 0.758 347 A CB 0.459 19.597 19.000 0.230 0.000 0.991 347 A HN 1.958 nan 8.150 nan 0.000 0.502 348 V N 0.058 120.098 119.914 0.210 0.000 2.769 348 V HA 0.855 4.974 4.120 -0.001 0.000 0.312 348 V C 0.556 176.391 176.094 -0.432 0.000 1.058 348 V CA -0.597 61.696 62.300 -0.012 0.000 0.952 348 V CB 0.916 32.706 31.823 -0.056 0.000 1.019 348 V HN 1.601 nan 8.190 nan 0.000 0.445 349 A N 2.853 125.118 122.820 -0.925 0.000 2.406 349 A HA 0.444 4.764 4.320 -0.001 0.000 0.243 349 A C 1.333 178.327 177.584 -0.983 0.000 1.082 349 A CA 0.549 51.596 52.037 -1.650 0.000 0.786 349 A CB -0.076 18.247 19.000 -1.128 0.000 1.029 349 A HN 1.117 nan 8.150 nan 0.000 0.495 350 T N 0.818 114.688 114.554 -1.139 0.000 2.777 350 T HA -0.143 4.206 4.350 -0.001 0.000 0.266 350 T C 1.449 175.921 174.700 -0.380 0.000 1.040 350 T CA 1.756 63.444 62.100 -0.687 0.000 1.141 350 T CB -0.435 67.993 68.868 -0.732 0.000 0.868 350 T HN 0.892 nan 8.240 nan 0.000 0.444 351 D N 2.480 122.704 120.400 -0.293 0.000 2.104 351 D HA -0.077 4.562 4.640 -0.001 0.000 0.194 351 D C 2.211 178.451 176.300 -0.100 0.000 0.994 351 D CA 1.382 55.352 54.000 -0.050 0.000 0.830 351 D CB -0.876 39.975 40.800 0.085 0.000 0.959 351 D HN 0.438 nan 8.370 nan 0.000 0.452 352 A N 0.360 123.077 122.820 -0.171 0.000 1.933 352 A HA -0.051 4.269 4.320 -0.001 0.000 0.218 352 A C 2.247 179.776 177.584 -0.093 0.000 1.175 352 A CA 1.425 53.388 52.037 -0.124 0.000 0.628 352 A CB -0.898 18.010 19.000 -0.153 0.000 0.814 352 A HN 0.273 nan 8.150 nan 0.000 0.444 353 L N -0.677 120.463 121.223 -0.137 0.000 2.012 353 L HA -0.157 4.182 4.340 -0.001 0.000 0.210 353 L C 2.280 179.155 176.870 0.008 0.000 1.073 353 L CA 2.144 56.947 54.840 -0.061 0.000 0.748 353 L CB -0.607 41.392 42.059 -0.100 0.000 0.891 353 L HN 0.374 nan 8.230 nan 0.000 0.431 354 L N -0.117 121.087 121.223 -0.033 0.000 1.989 354 L HA -0.256 4.083 4.340 -0.001 0.000 0.211 354 L C 2.603 179.514 176.870 0.068 0.000 1.071 354 L CA 2.272 57.114 54.840 0.004 0.000 0.749 354 L CB -0.852 41.196 42.059 -0.019 0.000 0.890 354 L HN 0.379 nan 8.230 nan 0.000 0.431 355 K N -0.864 119.558 120.400 0.036 0.000 2.032 355 K HA -0.201 4.119 4.320 -0.001 0.000 0.209 355 K C 2.019 178.655 176.600 0.060 0.000 1.048 355 K CA 1.543 57.855 56.287 0.043 0.000 0.927 355 K CB -0.347 32.161 32.500 0.014 0.000 0.712 355 K HN 0.473 nan 8.250 nan 0.000 0.441 356 A N 0.210 123.062 122.820 0.053 0.000 1.908 356 A HA -0.221 4.099 4.320 -0.001 0.000 0.218 356 A C 2.077 179.709 177.584 0.079 0.000 1.181 356 A CA 1.596 53.664 52.037 0.050 0.000 0.627 356 A CB -0.991 18.031 19.000 0.036 0.000 0.818 356 A HN 0.579 nan 8.150 nan 0.000 0.445 357 Y N 0.472 120.772 120.300 0.001 0.000 2.128 357 Y HA -0.300 4.249 4.550 -0.001 0.000 0.284 357 Y C 2.702 178.606 175.900 0.007 0.000 1.154 357 Y CA 2.449 60.556 58.100 0.011 0.000 1.149 357 Y CB -0.238 38.230 38.460 0.014 0.000 0.976 357 Y HN 0.450 nan 8.280 nan 0.000 0.505 358 Q N -0.431 119.512 119.800 0.238 0.000 2.124 358 Q HA -0.175 4.165 4.340 -0.001 0.000 0.202 358 Q C 2.049 178.084 176.000 0.058 0.000 0.977 358 Q CA 1.534 57.424 55.803 0.145 0.000 0.850 358 Q CB -0.161 28.645 28.738 0.114 0.000 0.901 358 Q HN 0.470 nan 8.270 nan 0.000 0.429 359 R N -0.598 119.925 120.500 0.039 0.000 2.299 359 R HA 0.066 4.405 4.340 -0.001 0.000 0.197 359 R C 0.927 177.218 176.300 -0.014 0.000 0.971 359 R CA 0.570 56.678 56.100 0.012 0.000 1.030 359 R CB 0.328 30.636 30.300 0.014 0.000 0.932 359 R HN 0.371 nan 8.270 nan 0.000 0.477 360 G N 1.106 109.881 108.800 -0.042 0.000 2.147 360 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.244 360 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.244 360 G C 0.666 175.530 174.900 -0.059 0.000 1.005 360 G CA 0.584 45.636 45.100 -0.080 0.000 0.713 360 G HN 0.456 nan 8.290 nan 0.000 0.515 361 S N -1.268 114.410 115.700 -0.036 0.000 2.556 361 S HA 0.687 5.156 4.470 -0.001 0.000 0.216 361 S C 1.223 175.812 174.600 -0.019 0.000 0.970 361 S CA 1.025 59.211 58.200 -0.022 0.000 0.912 361 S CB 0.708 63.903 63.200 -0.008 0.000 0.790 361 S HN 1.833 nan 8.310 nan 0.000 0.504 362 A N 2.789 125.590 122.820 -0.033 0.000 2.425 362 A HA 0.533 4.852 4.320 -0.001 0.000 0.249 362 A C 0.910 178.489 177.584 -0.009 0.000 1.084 362 A CA -0.123 51.912 52.037 -0.003 0.000 0.781 362 A CB -0.105 18.910 19.000 0.025 0.000 1.019 362 A HN 0.583 nan 8.150 nan 0.000 0.490 363 T N -0.042 114.520 114.554 0.014 0.000 2.726 363 T HA 0.241 4.591 4.350 -0.001 0.000 0.294 363 T C 1.318 176.036 174.700 0.029 0.000 1.013 363 T CA 0.440 62.548 62.100 0.014 0.000 0.996 363 T CB 0.232 69.109 68.868 0.015 0.000 1.016 363 T HN 0.535 nan 8.240 nan 0.000 0.529 364 T N 1.214 115.785 114.554 0.028 0.000 2.684 364 T HA -0.073 4.277 4.350 -0.001 0.000 0.267 364 T C 2.400 177.134 174.700 0.057 0.000 1.036 364 T CA 1.535 63.663 62.100 0.047 0.000 1.148 364 T CB -0.944 67.945 68.868 0.035 0.000 0.863 364 T HN 0.795 nan 8.240 nan 0.000 0.436 365 A N 1.229 124.069 122.820 0.034 0.000 1.933 365 A HA -0.171 4.149 4.320 -0.001 0.000 0.218 365 A C 2.282 179.896 177.584 0.049 0.000 1.175 365 A CA 1.569 53.620 52.037 0.024 0.000 0.628 365 A CB -0.614 18.389 19.000 0.006 0.000 0.814 365 A HN 0.562 nan 8.150 nan 0.000 0.444 366 Q N -0.503 119.335 119.800 0.064 0.000 2.123 366 Q HA -0.114 4.225 4.340 -0.001 0.000 0.199 366 Q C 2.066 178.169 176.000 0.171 0.000 0.966 366 Q CA 1.398 57.256 55.803 0.092 0.000 0.845 366 Q CB -0.141 28.644 28.738 0.077 0.000 0.907 366 Q HN 0.622 nan 8.270 nan 0.000 0.439 367 K N 0.235 120.754 120.400 0.199 0.000 2.026 367 K HA -0.110 4.209 4.320 -0.001 0.000 0.208 367 K C 2.056 178.858 176.600 0.336 0.000 1.048 367 K CA 0.888 57.392 56.287 0.361 0.000 0.929 367 K CB 0.021 32.663 32.500 0.237 0.000 0.713 367 K HN 0.026 nan 8.250 nan 0.000 0.439 368 R N 1.088 121.703 120.500 0.192 0.000 2.152 368 R HA -0.112 4.227 4.340 -0.001 0.000 0.232 368 R C 2.014 178.348 176.300 0.056 0.000 1.117 368 R CA 1.084 57.239 56.100 0.091 0.000 0.981 368 R CB -0.421 29.872 30.300 -0.011 0.000 0.870 368 R HN 0.477 nan 8.270 nan 0.000 0.451 369 E N 0.453 120.695 120.200 0.070 0.000 2.028 369 E HA -0.170 4.180 4.350 -0.001 0.000 0.191 369 E C 1.838 178.471 176.600 0.055 0.000 0.988 369 E CA 0.863 57.295 56.400 0.054 0.000 0.799 369 E CB -0.058 29.674 29.700 0.053 0.000 0.755 369 E HN 0.073 nan 8.360 nan 0.000 0.447 370 L N 1.574 122.833 121.223 0.059 0.000 2.046 370 L HA -0.173 4.166 4.340 -0.001 0.000 0.208 370 L C 1.971 178.838 176.870 -0.005 0.000 1.077 370 L CA 1.884 56.707 54.840 -0.028 0.000 0.747 370 L CB -0.324 41.636 42.059 -0.165 0.000 0.896 370 L HN 0.157 nan 8.230 nan 0.000 0.432 371 E N -1.158 119.090 120.200 0.080 0.000 2.058 371 E HA -0.228 4.121 4.350 -0.001 0.000 0.194 371 E C 2.012 178.701 176.600 0.148 0.000 0.997 371 E CA 1.989 58.484 56.400 0.159 0.000 0.801 371 E CB -0.263 29.630 29.700 0.323 0.000 0.746 371 E HN 0.721 nan 8.360 nan 0.000 0.450 372 T N -0.662 113.943 114.554 0.085 0.000 2.942 372 T HA -0.025 4.325 4.350 -0.001 0.000 0.265 372 T C 1.989 176.803 174.700 0.189 0.000 1.062 372 T CA 0.419 62.580 62.100 0.102 0.000 1.139 372 T CB -0.246 68.627 68.868 0.007 0.000 0.883 372 T HN 0.027 nan 8.240 nan 0.000 0.468 373 L N 0.685 121.984 121.223 0.126 0.000 2.056 373 L HA -0.045 4.295 4.340 -0.001 0.000 0.207 373 L C 2.935 179.887 176.870 0.136 0.000 1.078 373 L CA 0.950 55.857 54.840 0.112 0.000 0.749 373 L CB -0.535 41.535 42.059 0.019 0.000 0.901 373 L HN 0.179 nan 8.230 nan 0.000 0.433 374 V N -0.884 119.105 119.914 0.124 0.000 2.295 374 V HA -0.354 3.766 4.120 -0.001 0.000 0.246 374 V C 2.198 178.436 176.094 0.239 0.000 1.049 374 V CA 1.979 64.377 62.300 0.165 0.000 1.024 374 V CB -0.759 31.124 31.823 0.101 0.000 0.648 374 V HN 0.419 nan 8.190 nan 0.000 0.447 375 Y N 1.451 121.842 120.300 0.151 0.000 2.069 375 Y HA -0.337 4.212 4.550 -0.001 0.000 0.278 375 Y C 2.537 178.553 175.900 0.194 0.000 1.175 375 Y CA 2.250 60.448 58.100 0.163 0.000 1.134 375 Y CB -0.334 38.203 38.460 0.128 0.000 0.965 375 Y HN 0.158 nan 8.280 nan 0.000 0.498 376 K N -1.387 119.133 120.400 0.199 0.000 2.097 376 K HA -0.223 4.096 4.320 -0.001 0.000 0.206 376 K C 2.004 178.790 176.600 0.310 0.000 1.049 376 K CA 1.452 57.849 56.287 0.184 0.000 0.933 376 K CB -0.567 32.141 32.500 0.346 0.000 0.717 376 K HN 0.339 nan 8.250 nan 0.000 0.442 377 Y N 1.383 121.772 120.300 0.150 0.000 2.207 377 Y HA -0.148 4.402 4.550 -0.001 0.000 0.287 377 Y C 2.243 178.255 175.900 0.187 0.000 1.156 377 Y CA 1.326 59.528 58.100 0.170 0.000 1.182 377 Y CB -0.840 37.658 38.460 0.064 0.000 0.979 377 Y HN 0.066 nan 8.280 nan 0.000 0.521 378 G N -0.095 108.786 108.800 0.135 0.000 2.422 378 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.218 378 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.218 378 G C 1.899 176.913 174.900 0.191 0.000 1.146 378 G CA 0.734 45.881 45.100 0.078 0.000 0.769 378 G HN 0.317 nan 8.290 nan 0.000 0.547 379 R N -0.896 119.647 120.500 0.071 0.000 2.062 379 R HA -0.073 4.267 4.340 -0.001 0.000 0.231 379 R C 2.310 178.767 176.300 0.261 0.000 1.136 379 R CA 1.271 57.420 56.100 0.083 0.000 0.948 379 R CB -0.875 29.379 30.300 -0.077 0.000 0.845 379 R HN 0.477 nan 8.270 nan 0.000 0.430 380 Y N 2.090 122.581 120.300 0.318 0.000 2.102 380 Y HA -0.252 4.298 4.550 -0.001 0.000 0.280 380 Y C 2.074 178.151 175.900 0.294 0.000 1.178 380 Y CA 1.676 60.013 58.100 0.396 0.000 1.146 380 Y CB -0.436 38.278 38.460 0.423 0.000 0.968 380 Y HN -0.041 nan 8.280 nan 0.000 0.504 381 L N -0.896 120.481 121.223 0.256 0.000 2.201 381 L HA -0.210 4.130 4.340 -0.001 0.000 0.212 381 L C 2.297 179.425 176.870 0.430 0.000 1.105 381 L CA 1.595 56.571 54.840 0.226 0.000 0.775 381 L CB -0.787 41.246 42.059 -0.044 0.000 0.913 381 L HN 0.244 nan 8.230 nan 0.000 0.440 382 T N 0.201 114.990 114.554 0.392 0.000 2.746 382 T HA -0.139 4.210 4.350 -0.001 0.000 0.267 382 T C 1.902 176.630 174.700 0.048 0.000 1.039 382 T CA 1.358 63.520 62.100 0.103 0.000 1.142 382 T CB -0.185 68.626 68.868 -0.096 0.000 0.866 382 T HN 0.204 nan 8.240 nan 0.000 0.444 383 I N 1.219 121.816 120.570 0.045 0.000 2.226 383 I HA -0.081 4.089 4.170 -0.001 0.000 0.245 383 I C 2.881 179.038 176.117 0.066 0.000 1.100 383 I CA 1.307 62.621 61.300 0.024 0.000 1.374 383 I CB -0.635 37.353 38.000 -0.020 0.000 1.057 383 I HN 0.305 nan 8.210 nan 0.000 0.413 384 G N -0.060 108.787 108.800 0.078 0.000 2.443 384 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.219 384 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.219 384 G C 1.639 176.615 174.900 0.127 0.000 1.131 384 G CA 1.031 46.275 45.100 0.238 0.000 0.775 384 G HN 0.519 nan 8.290 nan 0.000 0.547 385 S N -2.187 113.559 115.700 0.077 0.000 2.540 385 S HA 0.391 4.860 4.470 -0.001 0.000 0.222 385 S C 0.681 175.225 174.600 -0.093 0.000 1.008 385 S CA 0.465 58.559 58.200 -0.177 0.000 0.939 385 S CB 0.622 63.709 63.200 -0.189 0.000 0.865 385 S HN 0.122 nan 8.310 nan 0.000 0.499 386 S N 1.710 117.392 115.700 -0.029 0.000 2.356 386 S HA 0.502 4.971 4.470 -0.001 0.000 0.171 386 S C -0.946 173.660 174.600 0.010 0.000 1.399 386 S CA -0.692 57.501 58.200 -0.012 0.000 1.225 386 S CB 0.187 63.360 63.200 -0.044 0.000 1.271 386 S HN 0.248 nan 8.310 nan 0.000 0.427 387 R N 2.018 122.530 120.500 0.020 0.000 2.674 387 R HA 0.364 4.704 4.340 -0.001 0.000 0.266 387 R C 1.562 177.882 176.300 0.033 0.000 1.016 387 R CA -0.713 55.407 56.100 0.033 0.000 1.062 387 R CB 0.500 30.830 30.300 0.050 0.000 1.142 387 R HN 0.684 nan 8.270 nan 0.000 0.517 388 E N 1.350 121.571 120.200 0.036 0.000 2.171 388 E HA -0.228 4.121 4.350 -0.001 0.000 0.197 388 E C 0.465 177.086 176.600 0.035 0.000 0.997 388 E CA 1.712 58.133 56.400 0.034 0.000 0.810 388 E CB -0.274 29.448 29.700 0.037 0.000 0.738 388 E HN 0.598 nan 8.360 nan 0.000 0.467 389 N N 0.536 119.261 118.700 0.043 0.000 2.251 389 N HA 0.036 4.776 4.740 -0.001 0.000 0.217 389 N C -0.510 175.031 175.510 0.050 0.000 1.124 389 N CA -0.309 52.769 53.050 0.047 0.000 0.843 389 N CB 0.146 38.666 38.487 0.055 0.000 1.024 389 N HN -0.149 nan 8.380 nan 0.000 0.501 390 S N 0.819 116.543 115.700 0.040 0.000 2.572 390 S HA 0.049 4.518 4.470 -0.001 0.000 0.279 390 S C 1.142 175.770 174.600 0.046 0.000 1.341 390 S CA -0.374 57.846 58.200 0.035 0.000 1.043 390 S CB 1.176 64.383 63.200 0.013 0.000 0.887 390 S HN 0.327 nan 8.310 nan 0.000 0.516 391 Q N 0.681 120.522 119.800 0.069 0.000 2.230 391 Q HA 0.121 4.460 4.340 -0.001 0.000 0.202 391 Q C -0.189 175.856 176.000 0.075 0.000 0.963 391 Q CA 0.819 56.688 55.803 0.110 0.000 0.866 391 Q CB -0.022 28.837 28.738 0.202 0.000 0.931 391 Q HN 0.526 nan 8.270 nan 0.000 0.452 392 L N 0.558 121.786 121.223 0.008 0.000 2.371 392 L HA 0.461 4.801 4.340 -0.001 0.000 0.262 392 L C -2.400 174.409 176.870 -0.101 0.000 1.006 392 L CA -2.497 52.293 54.840 -0.082 0.000 0.818 392 L CB 2.119 44.135 42.059 -0.071 0.000 1.354 392 L HN -0.137 nan 8.230 nan 0.000 0.415 393 P HA 0.095 nan 4.420 nan 0.000 0.275 393 P C -0.712 176.640 177.300 0.087 0.000 1.266 393 P CA -0.500 62.546 63.100 -0.090 0.000 0.793 393 P CB 0.479 31.996 31.700 -0.306 0.000 1.074 394 S N 0.251 116.026 115.700 0.125 0.000 2.546 394 S HA 0.075 4.545 4.470 -0.001 0.000 0.290 394 S C 0.475 175.131 174.600 0.093 0.000 1.290 394 S CA -0.400 57.820 58.200 0.033 0.000 1.069 394 S CB -0.849 62.307 63.200 -0.073 0.000 0.846 394 S HN 0.575 nan 8.310 nan 0.000 0.495 395 N N 2.872 121.513 118.700 -0.099 0.000 2.620 395 N HA 0.301 5.040 4.740 -0.001 0.000 0.307 395 N C 0.832 176.192 175.510 -0.249 0.000 1.316 395 N CA -0.943 51.905 53.050 -0.337 0.000 0.931 395 N CB -0.374 37.614 38.487 -0.831 0.000 1.116 395 N HN 0.479 nan 8.380 nan 0.000 0.573 396 L N -1.522 119.521 121.223 -0.300 0.000 2.261 396 L HA -0.089 4.251 4.340 -0.001 0.000 0.216 396 L C 1.204 177.859 176.870 -0.358 0.000 1.114 396 L CA 1.334 56.008 54.840 -0.277 0.000 0.777 396 L CB -0.387 41.522 42.059 -0.251 0.000 0.910 396 L HN 0.573 nan 8.230 nan 0.000 0.440 397 Q N -1.429 118.182 119.800 -0.315 0.000 2.135 397 Q HA 0.225 4.565 4.340 -0.001 0.000 0.222 397 Q C 1.139 177.186 176.000 0.078 0.000 0.808 397 Q CA 0.348 55.950 55.803 -0.335 0.000 1.049 397 Q CB 1.349 30.007 28.738 -0.132 0.000 1.168 397 Q HN 0.449 nan 8.270 nan 0.000 0.483 398 G N 2.523 111.330 108.800 0.011 0.000 2.950 398 G HA2 -0.374 3.586 3.960 -0.001 0.000 0.299 398 G HA3 -0.374 3.586 3.960 -0.001 0.000 0.299 398 G C 0.610 175.332 174.900 -0.297 0.000 1.310 398 G CA 0.524 45.653 45.100 0.048 0.000 0.994 398 G HN 0.509 nan 8.290 nan 0.000 0.575 399 I N -4.187 116.014 120.570 -0.615 0.000 4.442 399 I HA 0.466 4.636 4.170 -0.001 0.000 0.331 399 I C -0.073 175.851 176.117 -0.322 0.000 1.364 399 I CA -0.668 60.255 61.300 -0.628 0.000 1.207 399 I CB 0.384 37.914 38.000 -0.784 0.000 1.298 399 I HN 0.280 nan 8.210 nan 0.000 0.463 400 W N 3.573 125.048 121.300 0.292 0.000 2.349 400 W HA 0.641 5.301 4.660 -0.001 0.000 0.309 400 W C 0.049 176.920 176.519 0.586 0.000 1.083 400 W CA -0.611 57.002 57.345 0.447 0.000 1.224 400 W CB 1.539 31.322 29.460 0.538 0.000 1.256 400 W HN 0.213 nan 8.180 nan 0.000 0.461 401 S N 0.680 116.652 115.700 0.453 0.000 2.556 401 S HA 0.454 4.923 4.470 -0.001 0.000 0.271 401 S C -0.913 173.288 174.600 -0.665 0.000 1.135 401 S CA -0.713 57.470 58.200 -0.029 0.000 0.858 401 S CB 2.585 65.775 63.200 -0.016 0.000 1.114 401 S HN 0.202 nan 8.310 nan 0.000 0.468 402 V N 1.362 120.569 119.914 -1.179 0.000 3.635 402 V HA 0.266 4.386 4.120 -0.001 0.000 0.266 402 V C 0.684 176.511 176.094 -0.444 0.000 1.316 402 V CA 1.395 63.145 62.300 -0.916 0.000 1.060 402 V CB 0.009 31.103 31.823 -1.214 0.000 0.820 402 V HN 1.125 nan 8.190 nan 0.000 0.447 403 T N 0.057 114.381 114.554 -0.383 0.000 2.909 403 T HA 0.803 5.153 4.350 -0.001 0.000 0.286 403 T C -0.320 174.227 174.700 -0.255 0.000 1.002 403 T CA 0.074 61.994 62.100 -0.300 0.000 1.074 403 T CB 1.859 70.521 68.868 -0.343 0.000 0.984 403 T HN 0.610 nan 8.240 nan 0.000 0.495 404 A N 0.875 123.577 122.820 -0.196 0.000 2.547 404 A HA 0.933 5.252 4.320 -0.001 0.000 0.297 404 A C -0.195 177.324 177.584 -0.107 0.000 1.056 404 A CA -0.445 51.505 52.037 -0.145 0.000 0.688 404 A CB 1.631 20.634 19.000 0.004 0.000 1.282 404 A HN 1.528 nan 8.150 nan 0.000 0.400 405 G N -0.074 108.657 108.800 -0.115 0.000 2.646 405 G HA2 0.498 4.457 3.960 -0.001 0.000 0.291 405 G HA3 0.498 4.457 3.960 -0.001 0.000 0.291 405 G C -0.715 174.129 174.900 -0.094 0.000 1.445 405 G CA -0.319 44.730 45.100 -0.086 0.000 0.814 405 G HN 0.366 nan 8.290 nan 0.000 0.495 406 D N -0.364 119.999 120.400 -0.061 0.000 2.149 406 D HA 0.028 4.667 4.640 -0.001 0.000 0.201 406 D C 0.669 176.916 176.300 -0.088 0.000 0.972 406 D CA 1.035 54.995 54.000 -0.067 0.000 0.835 406 D CB 0.222 41.004 40.800 -0.031 0.000 0.966 406 D HN 0.251 nan 8.370 nan 0.000 0.476 407 N N -0.142 118.510 118.700 -0.081 0.000 2.443 407 N HA 0.517 5.257 4.740 -0.001 0.000 0.293 407 N C -0.449 174.993 175.510 -0.114 0.000 1.159 407 N CA -0.552 52.453 53.050 -0.074 0.000 0.904 407 N CB 1.383 39.854 38.487 -0.027 0.000 1.214 407 N HN -0.059 nan 8.380 nan 0.000 0.513 408 A N -0.121 122.614 122.820 -0.141 0.000 2.507 408 A HA 0.116 4.435 4.320 -0.001 0.000 0.235 408 A C -0.241 177.237 177.584 -0.177 0.000 1.070 408 A CA 0.301 52.179 52.037 -0.265 0.000 0.768 408 A CB -0.732 18.045 19.000 -0.371 0.000 1.011 408 A HN 0.964 nan 8.150 nan 0.000 0.502 409 H N -0.797 118.234 119.070 -0.066 0.000 2.770 409 H HA -0.194 4.361 4.556 -0.001 0.000 0.309 409 H C 0.972 176.236 175.328 -0.106 0.000 1.206 409 H CA 0.838 56.829 56.048 -0.095 0.000 1.147 409 H CB -1.585 28.144 29.762 -0.056 0.000 1.422 409 H HN 1.039 nan 8.280 nan 0.000 0.420 410 G N -0.185 108.570 108.800 -0.075 0.000 3.345 410 G HA2 0.045 4.005 3.960 -0.001 0.000 0.202 410 G HA3 0.045 4.005 3.960 -0.001 0.000 0.202 410 G C 1.107 175.930 174.900 -0.128 0.000 1.740 410 G CA 0.013 45.062 45.100 -0.086 0.000 0.806 410 G HN 0.234 nan 8.290 nan 0.000 0.718 411 N N 0.413 119.024 118.700 -0.147 0.000 2.494 411 N HA 0.079 4.818 4.740 -0.001 0.000 0.182 411 N C 0.086 175.456 175.510 -0.234 0.000 1.076 411 N CA 0.537 53.480 53.050 -0.180 0.000 0.908 411 N CB 0.257 38.645 38.487 -0.165 0.000 0.967 411 N HN 0.192 nan 8.380 nan 0.000 0.449 412 T N 2.945 117.364 114.554 -0.224 0.000 2.779 412 T HA 0.314 4.664 4.350 -0.001 0.000 0.280 412 T C -2.702 171.871 174.700 -0.212 0.000 0.987 412 T CA -1.469 60.497 62.100 -0.224 0.000 0.966 412 T CB 2.579 71.316 68.868 -0.218 0.000 0.933 412 T HN -0.039 nan 8.240 nan 0.000 0.442 413 P HA -0.025 nan 4.420 nan 0.000 0.267 413 P C 0.348 177.555 177.300 -0.154 0.000 1.209 413 P CA -0.030 62.844 63.100 -0.378 0.000 0.763 413 P CB 0.264 31.738 31.700 -0.377 0.000 0.816 414 W N 2.563 123.800 121.300 -0.106 0.000 4.973 414 W HA -0.206 4.454 4.660 -0.001 0.000 0.350 414 W C 1.149 177.589 176.519 -0.131 0.000 1.280 414 W CA 1.165 58.450 57.345 -0.099 0.000 0.854 414 W CB -2.737 26.592 29.460 -0.218 0.000 2.367 414 W HN 0.840 nan 8.180 nan 0.000 1.511 415 G N -0.560 108.206 108.800 -0.057 0.000 2.175 415 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.265 415 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.265 415 G C 0.659 175.438 174.900 -0.201 0.000 0.979 415 G CA 1.347 46.347 45.100 -0.167 0.000 0.663 415 G HN 1.453 nan 8.290 nan 0.000 0.533 416 S N -0.078 115.560 115.700 -0.104 0.000 3.491 416 S HA -0.223 4.246 4.470 -0.001 0.000 0.371 416 S C 0.881 175.315 174.600 -0.276 0.000 0.980 416 S CA 2.087 60.197 58.200 -0.150 0.000 1.204 416 S CB -1.515 61.627 63.200 -0.097 0.000 0.915 416 S HN 1.772 nan 8.310 nan 0.000 0.482 417 D N 0.048 120.366 120.400 -0.136 0.000 2.496 417 D HA 0.433 5.072 4.640 -0.001 0.000 0.283 417 D C -0.048 176.048 176.300 -0.339 0.000 1.214 417 D CA -0.629 53.330 54.000 -0.068 0.000 1.089 417 D CB -0.093 40.839 40.800 0.220 0.000 1.141 417 D HN 0.247 nan 8.370 nan 0.000 0.580 418 F N -0.377 119.661 119.950 0.147 0.000 2.313 418 F HA 0.240 4.767 4.527 -0.001 0.000 0.369 418 F C 0.436 176.258 175.800 0.037 0.000 1.109 418 F CA -0.624 57.367 58.000 -0.014 0.000 1.132 418 F CB 0.551 39.441 39.000 -0.183 0.000 1.291 418 F HN 0.177 nan 8.300 nan 0.000 0.496 419 H N 5.454 124.531 119.070 0.012 0.000 2.581 419 H HA 0.359 4.915 4.556 -0.001 0.000 0.308 419 H C 0.149 175.414 175.328 -0.105 0.000 1.040 419 H CA -0.165 55.857 56.048 -0.044 0.000 1.231 419 H CB 1.326 30.980 29.762 -0.179 0.000 1.396 419 H HN 0.650 nan 8.280 nan 0.000 0.467 420 M N 3.338 122.911 119.600 -0.045 0.000 2.560 420 M HA 0.017 4.496 4.480 -0.001 0.000 0.297 420 M C 0.710 176.969 176.300 -0.068 0.000 1.201 420 M CA -0.040 55.211 55.300 -0.082 0.000 0.973 420 M CB -0.016 32.580 32.600 -0.007 0.000 1.401 420 M HN 0.392 nan 8.290 nan 0.000 0.497 421 N N 0.217 118.907 118.700 -0.016 0.000 2.238 421 N HA 0.097 4.836 4.740 -0.001 0.000 0.222 421 N C 0.527 176.080 175.510 0.072 0.000 1.133 421 N CA -0.020 53.124 53.050 0.157 0.000 0.854 421 N CB 1.018 39.642 38.487 0.228 0.000 1.041 421 N HN 0.190 nan 8.380 nan 0.000 0.510 422 V N -1.006 118.661 119.914 -0.412 0.000 3.734 422 V HA -0.088 4.032 4.120 -0.001 0.000 0.308 422 V C 0.186 175.872 176.094 -0.679 0.000 1.881 422 V CA 0.773 62.700 62.300 -0.622 0.000 1.238 422 V CB -1.087 30.579 31.823 -0.263 0.000 0.950 422 V HN 0.178 nan 8.190 nan 0.000 0.328 423 N N 0.862 119.226 118.700 -0.561 0.000 2.173 423 N HA -0.007 4.733 4.740 -0.001 0.000 0.184 423 N C 1.392 176.657 175.510 -0.409 0.000 1.025 423 N CA 1.743 54.479 53.050 -0.523 0.000 0.852 423 N CB -0.154 38.036 38.487 -0.494 0.000 0.998 423 N HN 0.495 nan 8.380 nan 0.000 0.427 424 L N 1.047 122.086 121.223 -0.306 0.000 2.083 424 L HA -0.104 4.235 4.340 -0.001 0.000 0.209 424 L C 1.776 178.486 176.870 -0.268 0.000 1.083 424 L CA 1.675 56.400 54.840 -0.192 0.000 0.752 424 L CB -0.566 41.431 42.059 -0.104 0.000 0.899 424 L HN 0.090 nan 8.230 nan 0.000 0.433 425 Q N -1.191 118.308 119.800 -0.503 0.000 2.050 425 Q HA -0.234 4.106 4.340 -0.001 0.000 0.202 425 Q C 2.304 177.712 176.000 -0.987 0.000 0.980 425 Q CA 2.381 57.825 55.803 -0.599 0.000 0.840 425 Q CB -0.457 27.756 28.738 -0.874 0.000 0.898 425 Q HN 0.567 nan 8.270 nan 0.000 0.424 426 M N 0.336 119.172 119.600 -1.274 0.000 2.159 426 M HA -0.199 4.281 4.480 -0.001 0.000 0.263 426 M C 0.864 176.802 176.300 -0.604 0.000 1.063 426 M CA 1.364 55.781 55.300 -1.471 0.000 1.110 426 M CB 0.006 32.033 32.600 -0.955 0.000 1.374 426 M HN 0.152 nan 8.290 nan 0.000 0.411 427 N N -0.119 118.329 118.700 -0.420 0.000 2.192 427 N HA -0.182 4.557 4.740 -0.001 0.000 0.188 427 N C 0.393 175.333 175.510 -0.949 0.000 1.013 427 N CA 1.462 54.189 53.050 -0.538 0.000 0.863 427 N CB -0.363 37.843 38.487 -0.469 0.000 0.990 427 N HN 0.547 nan 8.380 nan 0.000 0.430 428 Y N -1.878 118.184 120.300 -0.398 0.000 2.636 428 Y HA 0.170 4.720 4.550 -0.001 0.000 0.260 428 Y C 0.714 176.605 175.900 -0.015 0.000 1.177 428 Y CA -0.857 57.071 58.100 -0.286 0.000 1.209 428 Y CB 0.003 38.319 38.460 -0.240 0.000 1.166 428 Y HN 0.026 nan 8.280 nan 0.000 0.531 429 W N 1.404 122.726 121.300 0.036 0.000 2.418 429 W HA 0.004 4.664 4.660 -0.001 0.000 0.292 429 W C -0.664 175.914 176.519 0.099 0.000 1.213 429 W CA 0.523 57.965 57.345 0.162 0.000 1.283 429 W CB -1.824 27.827 29.460 0.318 0.000 1.119 429 W HN 0.115 nan 8.180 nan 0.000 0.542 430 P HA 0.072 nan 4.420 nan 0.000 0.261 430 P C 1.164 178.416 177.300 -0.080 0.000 1.268 430 P CA 1.044 64.210 63.100 0.110 0.000 0.833 430 P CB 0.112 31.877 31.700 0.107 0.000 1.231 431 T N -0.576 113.825 114.554 -0.255 0.000 2.788 431 T HA -0.158 4.191 4.350 -0.001 0.000 0.268 431 T C 1.420 175.823 174.700 -0.495 0.000 1.044 431 T CA 1.695 63.534 62.100 -0.435 0.000 1.139 431 T CB -0.774 67.758 68.868 -0.560 0.000 0.867 431 T HN 0.137 nan 8.240 nan 0.000 0.454 432 Y N 1.727 121.880 120.300 -0.246 0.000 2.230 432 Y HA 0.046 4.596 4.550 -0.001 0.000 0.294 432 Y C 3.049 178.672 175.900 -0.462 0.000 1.120 432 Y CA 0.586 58.376 58.100 -0.517 0.000 1.129 432 Y CB -1.059 36.685 38.460 -1.194 0.000 1.040 432 Y HN 0.232 nan 8.280 nan 0.000 0.519 433 S N 0.571 116.116 115.700 -0.259 0.000 2.400 433 S HA -0.154 4.315 4.470 -0.001 0.000 0.232 433 S C 1.819 176.489 174.600 0.117 0.000 1.025 433 S CA 0.936 59.176 58.200 0.066 0.000 0.993 433 S CB -0.754 62.578 63.200 0.221 0.000 0.808 433 S HN 0.326 nan 8.310 nan 0.000 0.478 434 A N 1.031 123.892 122.820 0.067 0.000 2.411 434 A HA 0.396 4.715 4.320 -0.001 0.000 0.251 434 A C 0.728 178.333 177.584 0.034 0.000 1.317 434 A CA -0.081 52.008 52.037 0.087 0.000 0.904 434 A CB -0.810 18.221 19.000 0.053 0.000 0.993 434 A HN 0.483 nan 8.150 nan 0.000 0.504 435 N N -0.892 117.826 118.700 0.029 0.000 2.756 435 N HA -0.146 4.593 4.740 -0.001 0.000 0.248 435 N C -0.035 175.474 175.510 -0.001 0.000 1.062 435 N CA 1.192 54.262 53.050 0.033 0.000 0.696 435 N CB -1.408 37.111 38.487 0.053 0.000 0.946 435 N HN 0.627 nan 8.380 nan 0.000 0.548 436 M N -1.440 118.138 119.600 -0.037 0.000 3.181 436 M HA 0.254 4.733 4.480 -0.001 0.000 0.422 436 M C 1.649 177.913 176.300 -0.061 0.000 1.481 436 M CA 0.054 55.322 55.300 -0.054 0.000 0.783 436 M CB 0.608 33.155 32.600 -0.089 0.000 1.437 436 M HN 0.165 nan 8.290 nan 0.000 0.505 437 G N 1.461 110.268 108.800 0.012 0.000 2.469 437 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.220 437 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.220 437 G C 1.382 176.343 174.900 0.103 0.000 1.136 437 G CA 1.156 46.327 45.100 0.119 0.000 0.759 437 G HN 0.623 nan 8.290 nan 0.000 0.562 438 E N 0.935 121.173 120.200 0.063 0.000 2.268 438 E HA -0.063 4.287 4.350 -0.001 0.000 0.195 438 E C 2.263 178.885 176.600 0.037 0.000 0.995 438 E CA 0.428 56.861 56.400 0.055 0.000 0.836 438 E CB -0.539 29.187 29.700 0.043 0.000 0.763 438 E HN 0.487 nan 8.360 nan 0.000 0.491 439 L N 0.484 121.712 121.223 0.010 0.000 2.552 439 L HA 0.107 4.447 4.340 -0.001 0.000 0.227 439 L C 2.287 179.190 176.870 0.054 0.000 1.146 439 L CA 0.597 55.443 54.840 0.009 0.000 0.858 439 L CB -0.388 41.651 42.059 -0.034 0.000 0.969 439 L HN 0.118 nan 8.230 nan 0.000 0.451 440 A N -0.108 122.726 122.820 0.024 0.000 2.169 440 A HA -0.130 4.190 4.320 -0.001 0.000 0.212 440 A C 2.105 179.658 177.584 -0.051 0.000 1.153 440 A CA 0.771 52.803 52.037 -0.009 0.000 0.756 440 A CB -0.121 18.884 19.000 0.009 0.000 0.813 440 A HN 0.311 nan 8.150 nan 0.000 0.471 441 E N 1.357 121.559 120.200 0.004 0.000 2.070 441 E HA -0.157 4.193 4.350 -0.001 0.000 0.197 441 E C -0.644 175.931 176.600 -0.042 0.000 1.004 441 E CA 2.310 58.708 56.400 -0.003 0.000 0.805 441 E CB -0.959 28.753 29.700 0.020 0.000 0.744 441 E HN 0.463 nan 8.360 nan 0.000 0.451 442 P HA -0.143 nan 4.420 nan 0.000 0.219 442 P C 1.609 178.818 177.300 -0.151 0.000 1.146 442 P CA 0.887 63.946 63.100 -0.068 0.000 0.808 442 P CB -0.063 31.612 31.700 -0.041 0.000 0.779 443 L N -0.247 120.783 121.223 -0.321 0.000 2.027 443 L HA -0.104 4.235 4.340 -0.001 0.000 0.206 443 L C 2.494 179.249 176.870 -0.191 0.000 1.074 443 L CA 1.634 56.207 54.840 -0.445 0.000 0.745 443 L CB -1.185 40.273 42.059 -1.001 0.000 0.898 443 L HN -0.194 nan 8.230 nan 0.000 0.433 444 I N -0.632 119.860 120.570 -0.131 0.000 2.179 444 I HA -0.301 3.868 4.170 -0.001 0.000 0.242 444 I C 2.514 178.599 176.117 -0.052 0.000 1.088 444 I CA 1.767 63.034 61.300 -0.055 0.000 1.357 444 I CB -0.542 37.451 38.000 -0.013 0.000 1.051 444 I HN 0.414 nan 8.210 nan 0.000 0.409 445 E N 0.557 120.729 120.200 -0.046 0.000 2.110 445 E HA -0.287 4.063 4.350 -0.001 0.000 0.193 445 E C 2.281 178.846 176.600 -0.057 0.000 0.988 445 E CA 1.281 57.654 56.400 -0.045 0.000 0.804 445 E CB -0.180 29.507 29.700 -0.023 0.000 0.745 445 E HN 0.495 nan 8.360 nan 0.000 0.458 446 Y N 0.627 120.816 120.300 -0.185 0.000 2.145 446 Y HA -0.240 4.310 4.550 -0.001 0.000 0.286 446 Y C 2.070 177.849 175.900 -0.202 0.000 1.145 446 Y CA 1.729 59.688 58.100 -0.235 0.000 1.148 446 Y CB -0.277 37.966 38.460 -0.361 0.000 0.981 446 Y HN -0.086 nan 8.280 nan 0.000 0.507 447 V N 0.527 120.391 119.914 -0.082 0.000 2.358 447 V HA -0.278 3.841 4.120 -0.001 0.000 0.246 447 V C 2.101 178.060 176.094 -0.226 0.000 1.047 447 V CA 2.214 64.438 62.300 -0.127 0.000 1.035 447 V CB -0.658 31.153 31.823 -0.020 0.000 0.658 447 V HN 0.409 nan 8.190 nan 0.000 0.452 448 E N 0.548 120.629 120.200 -0.199 0.000 2.130 448 E HA -0.201 4.149 4.350 -0.001 0.000 0.196 448 E C 2.276 178.703 176.600 -0.289 0.000 0.998 448 E CA 1.313 57.564 56.400 -0.248 0.000 0.806 448 E CB -0.490 29.111 29.700 -0.165 0.000 0.738 448 E HN 0.658 nan 8.360 nan 0.000 0.459 449 G N 0.811 109.449 108.800 -0.271 0.000 2.509 449 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.218 449 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.218 449 G C 1.446 176.166 174.900 -0.300 0.000 1.124 449 G CA 0.251 45.195 45.100 -0.260 0.000 0.776 449 G HN 0.114 nan 8.290 nan 0.000 0.547 450 L N 0.332 121.329 121.223 -0.376 0.000 2.395 450 L HA 0.025 4.364 4.340 -0.001 0.000 0.218 450 L C 2.716 179.406 176.870 -0.299 0.000 1.130 450 L CA -0.138 54.520 54.840 -0.303 0.000 0.826 450 L CB -0.197 41.721 42.059 -0.235 0.000 0.941 450 L HN 0.051 nan 8.230 nan 0.000 0.451 451 V N 0.275 119.912 119.914 -0.462 0.000 2.261 451 V HA -0.291 3.828 4.120 -0.001 0.000 0.246 451 V C 2.492 178.365 176.094 -0.368 0.000 1.047 451 V CA 1.829 63.784 62.300 -0.576 0.000 1.015 451 V CB -0.488 30.910 31.823 -0.708 0.000 0.642 451 V HN 0.417 nan 8.190 nan 0.000 0.446 452 K N 0.238 120.402 120.400 -0.394 0.000 2.002 452 K HA -0.114 4.205 4.320 -0.001 0.000 0.209 452 K C 0.045 176.224 176.600 -0.701 0.000 1.048 452 K CA 1.901 57.874 56.287 -0.524 0.000 0.930 452 K CB -1.406 30.736 32.500 -0.596 0.000 0.714 452 K HN 0.464 nan 8.250 nan 0.000 0.438 453 P HA -0.136 nan 4.420 nan 0.000 0.218 453 P C 1.358 178.529 177.300 -0.216 0.000 1.149 453 P CA 1.699 64.540 63.100 -0.432 0.000 0.817 453 P CB -0.152 31.495 31.700 -0.089 0.000 0.785 454 G N 0.276 108.966 108.800 -0.184 0.000 2.443 454 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.219 454 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.219 454 G C 1.780 176.589 174.900 -0.153 0.000 1.131 454 G CA 0.146 45.175 45.100 -0.119 0.000 0.775 454 G HN 0.233 nan 8.290 nan 0.000 0.547 455 R N -0.212 120.187 120.500 -0.168 0.000 2.120 455 R HA -0.020 4.320 4.340 -0.001 0.000 0.234 455 R C 2.580 178.794 176.300 -0.143 0.000 1.123 455 R CA 0.990 56.986 56.100 -0.174 0.000 0.975 455 R CB -0.353 29.852 30.300 -0.157 0.000 0.866 455 R HN 0.315 nan 8.270 nan 0.000 0.446 456 V N 0.378 120.218 119.914 -0.123 0.000 2.261 456 V HA -0.246 3.873 4.120 -0.001 0.000 0.246 456 V C 2.137 178.213 176.094 -0.031 0.000 1.047 456 V CA 2.279 64.541 62.300 -0.065 0.000 1.015 456 V CB -0.672 31.132 31.823 -0.031 0.000 0.642 456 V HN 0.374 nan 8.190 nan 0.000 0.446 457 T N 0.622 115.171 114.554 -0.008 0.000 2.720 457 T HA -0.201 4.148 4.350 -0.001 0.000 0.268 457 T C 2.072 176.845 174.700 0.123 0.000 1.037 457 T CA 1.712 63.886 62.100 0.123 0.000 1.144 457 T CB -0.515 68.395 68.868 0.070 0.000 0.864 457 T HN 0.572 nan 8.240 nan 0.000 0.444 458 A N 1.671 124.439 122.820 -0.087 0.000 1.908 458 A HA -0.155 4.165 4.320 -0.001 0.000 0.218 458 A C 2.247 179.793 177.584 -0.064 0.000 1.181 458 A CA 2.012 53.938 52.037 -0.186 0.000 0.627 458 A CB -0.554 18.096 19.000 -0.583 0.000 0.818 458 A HN 0.504 nan 8.150 nan 0.000 0.445 459 K N -0.300 120.049 120.400 -0.085 0.000 2.025 459 K HA -0.073 4.247 4.320 -0.001 0.000 0.207 459 K C 1.854 178.425 176.600 -0.048 0.000 1.049 459 K CA 1.597 57.840 56.287 -0.072 0.000 0.933 459 K CB -0.290 32.167 32.500 -0.071 0.000 0.714 459 K HN 0.219 nan 8.250 nan 0.000 0.438 460 V N 0.566 120.440 119.914 -0.066 0.000 2.295 460 V HA -0.233 3.886 4.120 -0.001 0.000 0.246 460 V C 1.792 177.730 176.094 -0.261 0.000 1.049 460 V CA 1.747 63.917 62.300 -0.216 0.000 1.024 460 V CB -0.505 31.101 31.823 -0.362 0.000 0.648 460 V HN 0.332 nan 8.190 nan 0.000 0.447 461 Y N -0.991 119.364 120.300 0.092 0.000 2.497 461 Y HA 0.470 5.019 4.550 -0.001 0.000 0.265 461 Y C 1.907 177.935 175.900 0.214 0.000 1.111 461 Y CA 0.709 58.924 58.100 0.191 0.000 1.288 461 Y CB 0.154 38.826 38.460 0.353 0.000 1.082 461 Y HN 0.191 nan 8.280 nan 0.000 0.536 462 A N -1.066 121.928 122.820 0.289 0.000 2.551 462 A HA 0.522 4.841 4.320 -0.001 0.000 0.252 462 A C 1.685 179.355 177.584 0.145 0.000 1.199 462 A CA 0.395 52.581 52.037 0.247 0.000 0.972 462 A CB -0.451 18.759 19.000 0.349 0.000 1.153 462 A HN 0.400 nan 8.150 nan 0.000 0.559 463 G N -0.644 108.197 108.800 0.068 0.000 2.179 463 G HA2 0.042 4.001 3.960 -0.001 0.000 0.257 463 G HA3 0.042 4.001 3.960 -0.001 0.000 0.257 463 G C 0.434 175.303 174.900 -0.052 0.000 1.010 463 G CA 0.422 45.546 45.100 0.041 0.000 0.736 463 G HN 1.754 nan 8.290 nan 0.000 0.513 464 A N 0.249 122.886 122.820 -0.305 0.000 2.478 464 A HA 0.650 4.969 4.320 -0.001 0.000 0.327 464 A C 0.283 177.715 177.584 -0.253 0.000 1.431 464 A CA 0.237 51.878 52.037 -0.659 0.000 1.014 464 A CB 0.317 18.690 19.000 -1.045 0.000 1.143 464 A HN 0.582 nan 8.150 nan 0.000 0.532 465 E N 2.471 122.614 120.200 -0.096 0.000 2.134 465 E HA 0.355 4.704 4.350 -0.001 0.000 0.278 465 E C -0.725 175.869 176.600 -0.011 0.000 0.959 465 E CA -0.325 56.048 56.400 -0.044 0.000 0.783 465 E CB 0.788 30.483 29.700 -0.008 0.000 1.095 465 E HN 0.460 nan 8.360 nan 0.000 0.399 466 T N 3.864 118.399 114.554 -0.032 0.000 2.771 466 T HA 0.192 4.542 4.350 -0.001 0.000 0.291 466 T C -0.009 174.685 174.700 -0.009 0.000 0.954 466 T CA -0.552 61.539 62.100 -0.015 0.000 1.045 466 T CB 0.961 69.806 68.868 -0.037 0.000 0.917 466 T HN 0.581 nan 8.240 nan 0.000 0.484 467 T N 1.123 115.680 114.554 0.004 0.000 2.913 467 T HA 0.324 4.673 4.350 -0.001 0.000 0.287 467 T C 0.368 175.067 174.700 -0.002 0.000 1.008 467 T CA -0.912 61.191 62.100 0.004 0.000 1.067 467 T CB 0.005 68.881 68.868 0.013 0.000 0.996 467 T HN 0.705 nan 8.240 nan 0.000 0.513 468 N N 1.273 119.972 118.700 -0.001 0.000 2.714 468 N HA -0.113 4.627 4.740 -0.001 0.000 0.253 468 N C -2.066 173.438 175.510 -0.010 0.000 1.024 468 N CA 0.390 53.438 53.050 -0.003 0.000 0.726 468 N CB -0.708 37.776 38.487 -0.004 0.000 0.908 468 N HN 0.601 nan 8.380 nan 0.000 0.542 469 P HA -0.159 nan 4.420 nan 0.000 0.228 469 P C 0.926 178.209 177.300 -0.028 0.000 1.151 469 P CA 1.321 64.404 63.100 -0.028 0.000 0.770 469 P CB 0.341 32.024 31.700 -0.028 0.000 0.786 470 E N 0.494 120.691 120.200 -0.005 0.000 2.251 470 E HA -0.054 4.295 4.350 -0.001 0.000 0.194 470 E C 1.678 178.269 176.600 -0.015 0.000 0.964 470 E CA 1.202 57.603 56.400 0.003 0.000 0.868 470 E CB -0.589 29.123 29.700 0.021 0.000 0.828 470 E HN 0.153 nan 8.360 nan 0.000 0.481 471 T N -2.786 111.758 114.554 -0.016 0.000 3.023 471 T HA 0.180 4.529 4.350 -0.001 0.000 0.253 471 T C 0.515 175.200 174.700 -0.025 0.000 1.038 471 T CA -0.144 61.944 62.100 -0.019 0.000 0.962 471 T CB -0.045 68.816 68.868 -0.013 0.000 1.018 471 T HN -0.107 nan 8.240 nan 0.000 0.521 472 T N 5.143 119.679 114.554 -0.030 0.000 2.738 472 T HA 0.373 4.723 4.350 -0.001 0.000 0.293 472 T C -2.475 172.197 174.700 -0.047 0.000 0.913 472 T CA -0.860 61.220 62.100 -0.033 0.000 1.103 472 T CB 0.785 69.633 68.868 -0.032 0.000 0.880 472 T HN 0.242 nan 8.240 nan 0.000 0.526 473 P HA 0.117 nan 4.420 nan 0.000 0.268 473 P C 0.284 177.545 177.300 -0.065 0.000 1.208 473 P CA -0.403 62.667 63.100 -0.049 0.000 0.777 473 P CB 0.354 32.036 31.700 -0.030 0.000 0.875 474 I N 1.359 121.875 120.570 -0.091 0.000 2.826 474 I HA 0.001 4.171 4.170 -0.001 0.000 0.295 474 I C 1.709 177.785 176.117 -0.069 0.000 1.213 474 I CA 1.595 62.825 61.300 -0.118 0.000 1.436 474 I CB -0.628 37.276 38.000 -0.159 0.000 1.348 474 I HN 0.780 nan 8.210 nan 0.000 0.570 475 G N 4.580 113.352 108.800 -0.046 0.000 2.259 475 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.217 475 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.217 475 G C 0.624 175.503 174.900 -0.035 0.000 1.001 475 G CA 0.031 45.105 45.100 -0.044 0.000 0.627 475 G HN 0.659 nan 8.290 nan 0.000 0.501 476 E N 0.538 120.715 120.200 -0.038 0.000 2.498 476 E HA 0.384 4.733 4.350 -0.001 0.000 0.203 476 E C 1.496 178.058 176.600 -0.062 0.000 1.013 476 E CA 0.159 56.530 56.400 -0.049 0.000 0.927 476 E CB 0.894 30.576 29.700 -0.030 0.000 1.012 476 E HN 0.525 nan 8.360 nan 0.000 0.482 477 G N 0.705 109.478 108.800 -0.045 0.000 2.557 477 G HA2 0.040 4.000 3.960 -0.001 0.000 0.292 477 G HA3 0.040 4.000 3.960 -0.001 0.000 0.292 477 G C 0.552 175.444 174.900 -0.014 0.000 1.237 477 G CA -0.373 44.710 45.100 -0.028 0.000 0.978 477 G HN -0.054 nan 8.290 nan 0.000 0.498 478 E N -0.393 119.838 120.200 0.052 0.000 2.502 478 E HA 0.215 4.564 4.350 -0.001 0.000 0.194 478 E C 1.061 177.814 176.600 0.255 0.000 1.062 478 E CA 0.856 57.392 56.400 0.225 0.000 0.867 478 E CB 0.358 30.173 29.700 0.191 0.000 0.888 478 E HN 0.863 nan 8.360 nan 0.000 0.510 479 G N 0.972 109.804 108.800 0.054 0.000 2.379 479 G HA2 0.060 4.019 3.960 -0.001 0.000 0.609 479 G HA3 0.060 4.019 3.960 -0.001 0.000 0.609 479 G C -1.400 173.217 174.900 -0.472 0.000 1.484 479 G CA -0.779 44.178 45.100 -0.239 0.000 0.921 479 G HN 0.125 nan 8.290 nan 0.000 0.658 480 Y N -0.742 119.183 120.300 -0.626 0.000 2.462 480 Y HA 0.878 5.427 4.550 -0.001 0.000 0.346 480 Y C -0.096 175.446 175.900 -0.595 0.000 0.976 480 Y CA -1.726 56.061 58.100 -0.522 0.000 1.044 480 Y CB 2.132 40.406 38.460 -0.309 0.000 1.230 480 Y HN 0.771 nan 8.280 nan 0.000 0.455 481 M N 3.782 123.122 119.600 -0.434 0.000 2.395 481 M HA 0.901 5.381 4.480 -0.001 0.000 0.307 481 M C -1.787 174.357 176.300 -0.260 0.000 1.091 481 M CA -0.573 54.490 55.300 -0.394 0.000 0.919 481 M CB 2.013 34.411 32.600 -0.336 0.000 1.662 481 M HN 1.066 nan 8.290 nan 0.000 0.440 482 A N 2.562 125.183 122.820 -0.332 0.000 2.569 482 A HA 0.842 5.162 4.320 -0.001 0.000 0.290 482 A C -1.825 175.470 177.584 -0.481 0.000 1.136 482 A CA -0.566 51.333 52.037 -0.231 0.000 0.710 482 A CB 1.395 20.352 19.000 -0.073 0.000 1.303 482 A HN 1.009 nan 8.150 nan 0.000 0.413 483 H N -1.183 117.811 119.070 -0.127 0.000 3.779 483 H HA 0.552 5.108 4.556 -0.001 0.000 0.320 483 H C 1.295 176.609 175.328 -0.024 0.000 1.666 483 H CA 0.502 56.469 56.048 -0.135 0.000 1.439 483 H CB 0.147 29.774 29.762 -0.226 0.000 1.281 483 H HN 0.525 nan 8.280 nan 0.000 0.809 484 T N 0.270 114.913 114.554 0.149 0.000 2.639 484 T HA -0.050 4.299 4.350 -0.001 0.000 0.261 484 T C -0.002 174.671 174.700 -0.045 0.000 1.053 484 T CA 1.165 63.299 62.100 0.056 0.000 1.158 484 T CB -0.219 68.710 68.868 0.100 0.000 0.863 484 T HN 0.355 nan 8.240 nan 0.000 0.413 485 E N 2.344 122.584 120.200 0.067 0.000 2.180 485 E HA 0.271 4.620 4.350 -0.001 0.000 0.283 485 E C -0.447 176.363 176.600 0.350 0.000 1.061 485 E CA -0.180 56.286 56.400 0.111 0.000 0.861 485 E CB 0.484 30.370 29.700 0.310 0.000 1.056 485 E HN 0.292 nan 8.360 nan 0.000 0.407 486 N N 1.479 120.367 118.700 0.313 0.000 2.380 486 N HA 0.390 5.130 4.740 -0.001 0.000 0.290 486 N C -0.461 175.291 175.510 0.402 0.000 1.236 486 N CA -0.318 52.977 53.050 0.407 0.000 0.780 486 N CB 2.308 41.022 38.487 0.379 0.000 1.438 486 N HN 0.514 nan 8.380 nan 0.000 0.491 487 T N -3.607 111.124 114.554 0.296 0.000 2.626 487 T HA 0.553 4.903 4.350 -0.001 0.000 0.279 487 T C 0.721 175.193 174.700 -0.379 0.000 0.983 487 T CA -0.435 61.566 62.100 -0.166 0.000 1.059 487 T CB 0.802 69.578 68.868 -0.153 0.000 1.396 487 T HN 0.317 nan 8.240 nan 0.000 0.519 488 A N -0.656 121.431 122.820 -1.221 0.000 2.209 488 A HA 0.232 4.551 4.320 -0.001 0.000 0.212 488 A C 0.465 177.537 177.584 -0.854 0.000 1.158 488 A CA 0.643 52.005 52.037 -1.126 0.000 0.742 488 A CB -0.930 16.960 19.000 -1.850 0.000 0.790 488 A HN 0.738 nan 8.150 nan 0.000 0.472 489 Y N -1.018 119.052 120.300 -0.384 0.000 2.698 489 Y HA 0.434 4.984 4.550 -0.001 0.000 0.261 489 Y C 1.296 177.028 175.900 -0.280 0.000 1.104 489 Y CA -0.805 56.836 58.100 -0.765 0.000 1.145 489 Y CB -0.090 38.044 38.460 -0.543 0.000 1.191 489 Y HN 0.297 nan 8.280 nan 0.000 0.564 490 G N 0.312 109.137 108.800 0.043 0.000 2.295 490 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.287 490 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.287 490 G C 0.079 175.167 174.900 0.312 0.000 1.055 490 G CA 0.004 45.231 45.100 0.212 0.000 0.922 490 G HN 0.655 nan 8.290 nan 0.000 0.503 491 W N 2.114 123.495 121.300 0.135 0.000 1.606 491 W HA 0.376 5.035 4.660 -0.001 0.000 0.455 491 W C 1.105 177.690 176.519 0.110 0.000 0.711 491 W CA 0.242 57.685 57.345 0.164 0.000 1.876 491 W CB -0.199 29.389 29.460 0.214 0.000 1.776 491 W HN 0.397 nan 8.180 nan 0.000 0.229 492 T N 0.211 114.761 114.554 -0.007 0.000 3.086 492 T HA 0.279 4.628 4.350 -0.001 0.000 0.250 492 T C 1.036 175.693 174.700 -0.072 0.000 1.074 492 T CA 0.019 62.108 62.100 -0.018 0.000 0.988 492 T CB 0.208 69.058 68.868 -0.030 0.000 0.988 492 T HN 0.242 nan 8.240 nan 0.000 0.530 493 A N 3.396 126.036 122.820 -0.299 0.000 2.448 493 A HA 0.516 4.836 4.320 -0.001 0.000 0.239 493 A C -2.019 175.312 177.584 -0.421 0.000 1.080 493 A CA -1.251 50.570 52.037 -0.361 0.000 0.779 493 A CB -0.175 18.520 19.000 -0.508 0.000 1.026 493 A HN 0.314 nan 8.150 nan 0.000 0.499 494 P HA 0.227 nan 4.420 nan 0.000 0.272 494 P C 0.486 177.593 177.300 -0.320 0.000 1.240 494 P CA 0.206 62.821 63.100 -0.810 0.000 0.791 494 P CB 0.334 31.504 31.700 -0.883 0.000 0.978 495 G N 0.561 109.252 108.800 -0.182 0.000 2.651 495 G HA2 0.089 4.048 3.960 -0.001 0.000 0.260 495 G HA3 0.089 4.048 3.960 -0.001 0.000 0.260 495 G C 0.879 175.658 174.900 -0.202 0.000 1.216 495 G CA -0.385 44.684 45.100 -0.051 0.000 0.913 495 G HN 0.635 nan 8.290 nan 0.000 0.535 496 Q N -1.402 118.360 119.800 -0.062 0.000 2.435 496 Q HA 0.081 4.421 4.340 -0.001 0.000 0.207 496 Q C 0.712 176.591 176.000 -0.201 0.000 0.956 496 Q CA 0.847 56.638 55.803 -0.021 0.000 0.917 496 Q CB 0.181 29.027 28.738 0.180 0.000 0.997 496 Q HN 0.227 nan 8.270 nan 0.000 0.497 497 S N -0.665 114.639 115.700 -0.659 0.000 2.594 497 S HA 0.290 4.760 4.470 -0.001 0.000 0.296 497 S C -0.287 173.817 174.600 -0.828 0.000 1.124 497 S CA -0.868 56.926 58.200 -0.678 0.000 1.011 497 S CB 0.741 63.602 63.200 -0.565 0.000 1.016 497 S HN 0.399 nan 8.310 nan 0.000 0.485 498 F N 4.476 124.118 119.950 -0.514 0.000 2.161 498 F HA -0.087 4.439 4.527 -0.001 0.000 0.300 498 F C 2.235 177.780 175.800 -0.425 0.000 1.089 498 F CA 2.017 59.797 58.000 -0.368 0.000 1.282 498 F CB -0.087 38.742 39.000 -0.285 0.000 1.010 498 F HN 0.664 nan 8.300 nan 0.000 0.485 499 S N 0.678 116.161 115.700 -0.361 0.000 3.048 499 S HA -0.051 4.418 4.470 -0.001 0.000 0.254 499 S C 0.598 175.183 174.600 -0.025 0.000 1.084 499 S CA 0.385 58.239 58.200 -0.576 0.000 1.195 499 S CB -1.522 61.492 63.200 -0.310 0.000 0.870 499 S HN 0.799 nan 8.310 nan 0.000 0.483 500 W N -3.130 118.177 121.300 0.012 0.000 0.859 500 W HA 0.129 4.789 4.660 -0.001 0.000 0.137 500 W C 0.963 177.541 176.519 0.099 0.000 0.598 500 W CA -0.142 57.296 57.345 0.156 0.000 0.411 500 W CB -0.891 28.690 29.460 0.202 0.000 0.595 500 W HN 0.222 nan 8.180 nan 0.000 0.397 501 G N 1.486 110.147 108.800 -0.232 0.000 2.426 501 G HA2 -0.092 3.868 3.960 -0.001 0.000 0.214 501 G HA3 -0.092 3.868 3.960 -0.001 0.000 0.214 501 G C 0.229 175.033 174.900 -0.161 0.000 1.156 501 G CA 0.876 45.825 45.100 -0.251 0.000 0.802 501 G HN 0.196 nan 8.290 nan 0.000 0.534 502 W N 1.421 122.401 121.300 -0.533 0.000 2.335 502 W HA 0.662 5.321 4.660 -0.001 0.000 0.307 502 W C -0.899 175.498 176.519 -0.203 0.000 1.117 502 W CA -0.735 56.306 57.345 -0.508 0.000 1.228 502 W CB 1.377 30.290 29.460 -0.912 0.000 1.240 502 W HN -0.026 nan 8.180 nan 0.000 0.468 503 S N 8.331 123.966 115.700 -0.108 0.000 2.849 503 S HA 0.144 4.614 4.470 -0.001 0.000 0.141 503 S C -1.590 172.874 174.600 -0.227 0.000 1.109 503 S CA -0.595 57.582 58.200 -0.038 0.000 1.106 503 S CB 0.515 63.808 63.200 0.155 0.000 1.637 503 S HN 0.415 nan 8.310 nan 0.000 0.457 504 P HA 0.092 nan 4.420 nan 0.000 0.226 504 P C 1.193 178.420 177.300 -0.122 0.000 1.153 504 P CA 0.578 63.322 63.100 -0.592 0.000 0.777 504 P CB 0.027 31.378 31.700 -0.582 0.000 0.794 505 A N 0.434 123.254 122.820 -0.000 0.000 2.172 505 A HA 0.105 4.425 4.320 -0.001 0.000 0.216 505 A C 2.338 179.931 177.584 0.014 0.000 1.154 505 A CA 1.193 53.200 52.037 -0.051 0.000 0.701 505 A CB -1.229 17.614 19.000 -0.262 0.000 0.789 505 A HN 0.203 nan 8.150 nan 0.000 0.465 506 A N -0.237 122.641 122.820 0.097 0.000 1.958 506 A HA -0.125 4.194 4.320 -0.001 0.000 0.221 506 A C 2.199 179.838 177.584 0.092 0.000 1.178 506 A CA 2.127 54.255 52.037 0.151 0.000 0.642 506 A CB -0.857 18.185 19.000 0.070 0.000 0.816 506 A HN 0.400 nan 8.150 nan 0.000 0.453 507 V N 0.092 120.015 119.914 0.015 0.000 2.244 507 V HA -0.139 3.980 4.120 -0.001 0.000 0.244 507 V C 0.023 176.132 176.094 0.024 0.000 1.042 507 V CA 2.275 64.584 62.300 0.015 0.000 1.006 507 V CB -1.645 30.150 31.823 -0.047 0.000 0.641 507 V HN 0.325 nan 8.190 nan 0.000 0.446 508 P HA -0.244 nan 4.420 nan 0.000 0.219 508 P C 1.370 178.711 177.300 0.068 0.000 1.158 508 P CA 2.071 65.113 63.100 -0.096 0.000 0.895 508 P CB -0.164 31.362 31.700 -0.290 0.000 0.792 509 W N -0.067 121.178 121.300 -0.091 0.000 2.407 509 W HA -0.052 4.607 4.660 -0.001 0.000 0.305 509 W C 2.008 178.559 176.519 0.053 0.000 1.196 509 W CA 0.479 57.816 57.345 -0.014 0.000 1.311 509 W CB -1.295 28.177 29.460 0.020 0.000 1.135 509 W HN -0.173 nan 8.180 nan 0.000 0.514 510 I N 0.772 121.443 120.570 0.168 0.000 2.567 510 I HA -0.248 3.921 4.170 -0.001 0.000 0.257 510 I C 2.260 178.447 176.117 0.117 0.000 1.184 510 I CA 1.381 62.712 61.300 0.053 0.000 1.451 510 I CB -0.556 37.444 38.000 -0.001 0.000 1.089 510 I HN -0.095 nan 8.210 nan 0.000 0.441 511 L N -0.569 120.733 121.223 0.132 0.000 2.275 511 L HA -0.194 4.145 4.340 -0.001 0.000 0.215 511 L C 2.390 179.368 176.870 0.179 0.000 1.119 511 L CA 0.815 55.731 54.840 0.127 0.000 0.790 511 L CB -0.583 41.517 42.059 0.068 0.000 0.919 511 L HN 0.346 nan 8.230 nan 0.000 0.443 512 Q N -0.016 119.919 119.800 0.225 0.000 2.020 512 Q HA -0.200 4.140 4.340 -0.001 0.000 0.202 512 Q C 1.941 178.132 176.000 0.318 0.000 0.982 512 Q CA 1.531 57.504 55.803 0.282 0.000 0.838 512 Q CB -0.218 28.716 28.738 0.328 0.000 0.899 512 Q HN 0.604 nan 8.270 nan 0.000 0.423 513 N N 0.168 119.057 118.700 0.315 0.000 2.094 513 N HA -0.157 4.582 4.740 -0.001 0.000 0.191 513 N C 1.947 177.644 175.510 0.313 0.000 1.023 513 N CA 1.461 54.719 53.050 0.346 0.000 0.857 513 N CB -0.122 38.506 38.487 0.235 0.000 1.013 513 N HN 0.067 nan 8.380 nan 0.000 0.426 514 V N 0.882 120.920 119.914 0.207 0.000 2.270 514 V HA -0.229 3.891 4.120 -0.001 0.000 0.245 514 V C 2.101 178.300 176.094 0.176 0.000 1.043 514 V CA 1.395 63.794 62.300 0.164 0.000 1.014 514 V CB -0.798 31.094 31.823 0.114 0.000 0.645 514 V HN 0.251 nan 8.190 nan 0.000 0.447 515 Y N 1.409 121.763 120.300 0.089 0.000 2.193 515 Y HA -0.263 4.286 4.550 -0.001 0.000 0.285 515 Y C 2.488 178.430 175.900 0.069 0.000 1.166 515 Y CA 1.995 60.150 58.100 0.092 0.000 1.181 515 Y CB -0.311 38.197 38.460 0.079 0.000 0.976 515 Y HN 0.395 nan 8.280 nan 0.000 0.520 516 E N -0.282 119.896 120.200 -0.036 0.000 2.209 516 E HA -0.234 4.116 4.350 -0.001 0.000 0.196 516 E C 2.331 178.511 176.600 -0.699 0.000 0.993 516 E CA 0.747 57.001 56.400 -0.243 0.000 0.819 516 E CB -0.293 29.438 29.700 0.052 0.000 0.745 516 E HN 0.605 nan 8.360 nan 0.000 0.477 517 A N 0.815 123.245 122.820 -0.649 0.000 1.940 517 A HA -0.231 4.088 4.320 -0.001 0.000 0.219 517 A C 2.008 179.453 177.584 -0.233 0.000 1.176 517 A CA 1.533 53.281 52.037 -0.482 0.000 0.631 517 A CB -0.626 18.380 19.000 0.009 0.000 0.814 517 A HN 0.458 nan 8.150 nan 0.000 0.446 518 Y N 0.066 120.180 120.300 -0.310 0.000 2.286 518 Y HA 0.002 4.551 4.550 -0.001 0.000 0.293 518 Y C 2.164 177.851 175.900 -0.355 0.000 1.124 518 Y CA 1.638 59.569 58.100 -0.281 0.000 1.178 518 Y CB -0.282 38.024 38.460 -0.256 0.000 1.010 518 Y HN 0.422 nan 8.280 nan 0.000 0.536 519 E N -0.727 119.035 120.200 -0.730 0.000 2.085 519 E HA -0.256 4.093 4.350 -0.001 0.000 0.194 519 E C 1.582 177.848 176.600 -0.557 0.000 0.994 519 E CA 1.737 57.704 56.400 -0.722 0.000 0.801 519 E CB -0.296 29.073 29.700 -0.553 0.000 0.743 519 E HN 0.615 nan 8.360 nan 0.000 0.453 520 Y N -0.640 119.384 120.300 -0.461 0.000 2.517 520 Y HA -0.063 4.487 4.550 -0.001 0.000 0.281 520 Y C 2.558 178.312 175.900 -0.242 0.000 1.125 520 Y CA 1.051 58.982 58.100 -0.282 0.000 1.283 520 Y CB 0.411 38.748 38.460 -0.205 0.000 1.042 520 Y HN 0.086 nan 8.280 nan 0.000 0.547 521 S N -2.199 113.403 115.700 -0.163 0.000 2.527 521 S HA 0.249 4.718 4.470 -0.001 0.000 0.227 521 S C 1.905 176.386 174.600 -0.198 0.000 1.059 521 S CA 0.404 58.531 58.200 -0.121 0.000 0.919 521 S CB -0.034 63.141 63.200 -0.041 0.000 0.805 521 S HN 0.428 nan 8.310 nan 0.000 0.500 522 G N 2.129 110.691 108.800 -0.397 0.000 2.187 522 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.261 522 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.261 522 G C -0.233 174.686 174.900 0.032 0.000 1.000 522 G CA 0.452 45.361 45.100 -0.318 0.000 0.718 522 G HN 0.701 nan 8.290 nan 0.000 0.519 523 D N 0.447 120.903 120.400 0.094 0.000 2.358 523 D HA 0.287 4.926 4.640 -0.001 0.000 0.258 523 D C -0.133 176.280 176.300 0.187 0.000 1.223 523 D CA -1.851 52.223 54.000 0.122 0.000 0.886 523 D CB 1.199 42.050 40.800 0.085 0.000 1.120 523 D HN 0.185 nan 8.370 nan 0.000 0.482 524 P HA -0.073 nan 4.420 nan 0.000 0.223 524 P C 0.921 178.239 177.300 0.030 0.000 1.151 524 P CA 0.712 63.850 63.100 0.064 0.000 0.787 524 P CB 0.174 31.897 31.700 0.039 0.000 0.788 525 A N -0.063 122.782 122.820 0.042 0.000 1.930 525 A HA -0.091 4.229 4.320 -0.001 0.000 0.217 525 A C 2.311 179.916 177.584 0.035 0.000 1.175 525 A CA 1.091 53.146 52.037 0.031 0.000 0.627 525 A CB -1.481 17.538 19.000 0.032 0.000 0.815 525 A HN 0.125 nan 8.150 nan 0.000 0.443 526 L N -1.003 120.257 121.223 0.062 0.000 2.056 526 L HA -0.137 4.202 4.340 -0.001 0.000 0.207 526 L C 2.510 179.392 176.870 0.020 0.000 1.078 526 L CA 1.000 55.885 54.840 0.074 0.000 0.749 526 L CB -0.532 41.603 42.059 0.127 0.000 0.901 526 L HN 0.467 nan 8.230 nan 0.000 0.433 527 L N 0.146 121.323 121.223 -0.077 0.000 2.051 527 L HA -0.289 4.050 4.340 -0.001 0.000 0.214 527 L C 1.976 178.773 176.870 -0.121 0.000 1.076 527 L CA 2.023 56.630 54.840 -0.390 0.000 0.758 527 L CB -0.727 41.002 42.059 -0.550 0.000 0.890 527 L HN 0.223 nan 8.230 nan 0.000 0.433 528 D N -0.821 119.559 120.400 -0.033 0.000 2.123 528 D HA -0.114 4.525 4.640 -0.001 0.000 0.200 528 D C 2.363 178.711 176.300 0.080 0.000 0.976 528 D CA 1.082 55.111 54.000 0.049 0.000 0.831 528 D CB -0.051 40.768 40.800 0.031 0.000 0.974 528 D HN 0.366 nan 8.370 nan 0.000 0.469 529 R N 0.325 120.850 120.500 0.043 0.000 2.081 529 R HA -0.095 4.245 4.340 -0.001 0.000 0.235 529 R C 2.441 178.767 176.300 0.045 0.000 1.131 529 R CA 1.354 57.474 56.100 0.033 0.000 0.960 529 R CB -0.329 29.984 30.300 0.022 0.000 0.856 529 R HN 0.231 nan 8.270 nan 0.000 0.436 530 V N -1.725 118.232 119.914 0.073 0.000 2.488 530 V HA -0.170 3.950 4.120 -0.001 0.000 0.246 530 V C 1.977 178.140 176.094 0.115 0.000 1.046 530 V CA 1.217 63.585 62.300 0.114 0.000 1.053 530 V CB -0.906 31.036 31.823 0.198 0.000 0.679 530 V HN 0.235 nan 8.190 nan 0.000 0.458 531 Y N 2.382 122.691 120.300 0.014 0.000 2.081 531 Y HA -0.176 4.373 4.550 -0.001 0.000 0.280 531 Y C 2.655 178.585 175.900 0.050 0.000 1.163 531 Y CA 2.354 60.467 58.100 0.023 0.000 1.135 531 Y CB -1.005 37.456 38.460 0.001 0.000 0.970 531 Y HN 0.316 nan 8.280 nan 0.000 0.498 532 A N 0.359 123.132 122.820 -0.078 0.000 1.892 532 A HA -0.234 4.086 4.320 -0.001 0.000 0.218 532 A C 2.351 179.863 177.584 -0.119 0.000 1.188 532 A CA 2.223 54.176 52.037 -0.140 0.000 0.631 532 A CB -1.312 17.670 19.000 -0.030 0.000 0.822 532 A HN 0.585 nan 8.150 nan 0.000 0.447 533 L N -1.071 120.121 121.223 -0.051 0.000 2.046 533 L HA -0.153 4.187 4.340 -0.001 0.000 0.208 533 L C 2.547 179.457 176.870 0.066 0.000 1.077 533 L CA 1.063 55.928 54.840 0.043 0.000 0.747 533 L CB -0.418 41.675 42.059 0.058 0.000 0.896 533 L HN 0.361 nan 8.230 nan 0.000 0.432 534 L N -0.379 120.800 121.223 -0.074 0.000 2.156 534 L HA -0.177 4.163 4.340 -0.001 0.000 0.208 534 L C 2.677 179.385 176.870 -0.269 0.000 1.095 534 L CA 1.019 55.750 54.840 -0.182 0.000 0.770 534 L CB -0.381 41.533 42.059 -0.243 0.000 0.914 534 L HN 0.242 nan 8.230 nan 0.000 0.439 535 K N 0.558 120.793 120.400 -0.275 0.000 2.025 535 K HA -0.251 4.068 4.320 -0.001 0.000 0.207 535 K C 2.036 178.694 176.600 0.098 0.000 1.049 535 K CA 1.789 58.008 56.287 -0.112 0.000 0.933 535 K CB 0.042 32.333 32.500 -0.349 0.000 0.714 535 K HN 0.267 nan 8.250 nan 0.000 0.438 536 E N 0.152 120.401 120.200 0.081 0.000 2.112 536 E HA -0.194 4.156 4.350 -0.001 0.000 0.190 536 E C 1.801 178.522 176.600 0.201 0.000 0.979 536 E CA 0.976 57.491 56.400 0.190 0.000 0.814 536 E CB 0.115 29.951 29.700 0.227 0.000 0.762 536 E HN 0.274 nan 8.360 nan 0.000 0.460 537 E N 0.093 120.330 120.200 0.061 0.000 2.150 537 E HA -0.086 4.264 4.350 -0.001 0.000 0.193 537 E C 1.876 178.547 176.600 0.119 0.000 0.985 537 E CA 1.323 57.691 56.400 -0.054 0.000 0.814 537 E CB -0.047 29.504 29.700 -0.247 0.000 0.752 537 E HN 0.107 nan 8.360 nan 0.000 0.466 538 S N -0.260 115.422 115.700 -0.031 0.000 2.355 538 S HA -0.188 4.282 4.470 -0.001 0.000 0.222 538 S C 1.759 176.491 174.600 0.219 0.000 1.031 538 S CA 1.105 59.233 58.200 -0.120 0.000 0.993 538 S CB -0.605 62.136 63.200 -0.765 0.000 0.859 538 S HN 0.479 nan 8.310 nan 0.000 0.453 539 H N 0.333 119.586 119.070 0.304 0.000 2.289 539 H HA -0.188 4.367 4.556 -0.001 0.000 0.294 539 H C 2.122 177.696 175.328 0.409 0.000 1.095 539 H CA 2.071 58.353 56.048 0.389 0.000 1.256 539 H CB -0.492 29.480 29.762 0.350 0.000 1.359 539 H HN 0.401 nan 8.280 nan 0.000 0.487 540 F N 0.937 121.091 119.950 0.340 0.000 2.065 540 F HA -0.286 4.241 4.527 -0.001 0.000 0.298 540 F C 2.198 178.111 175.800 0.189 0.000 1.112 540 F CA 1.784 59.947 58.000 0.273 0.000 1.212 540 F CB -1.220 37.812 39.000 0.054 0.000 0.975 540 F HN 0.120 nan 8.300 nan 0.000 0.476 541 Y N -0.494 119.741 120.300 -0.108 0.000 2.200 541 Y HA -0.175 4.374 4.550 -0.001 0.000 0.290 541 Y C 2.569 178.448 175.900 -0.036 0.000 1.137 541 Y CA 1.864 59.835 58.100 -0.216 0.000 1.163 541 Y CB -0.815 37.559 38.460 -0.144 0.000 0.988 541 Y HN -0.105 nan 8.280 nan 0.000 0.518 542 V N 0.162 120.217 119.914 0.236 0.000 2.343 542 V HA -0.315 3.805 4.120 -0.001 0.000 0.247 542 V C 1.376 177.704 176.094 0.389 0.000 1.051 542 V CA 2.403 64.930 62.300 0.378 0.000 1.036 542 V CB -0.572 31.490 31.823 0.399 0.000 0.654 542 V HN 0.452 nan 8.190 nan 0.000 0.451 543 N N -1.925 116.824 118.700 0.081 0.000 2.395 543 N HA 0.009 4.748 4.740 -0.001 0.000 0.175 543 N C 1.353 176.546 175.510 -0.528 0.000 1.029 543 N CA 0.802 53.764 53.050 -0.147 0.000 0.897 543 N CB 0.061 38.218 38.487 -0.549 0.000 0.991 543 N HN 0.566 nan 8.380 nan 0.000 0.441 544 Y N -1.367 118.851 120.300 -0.136 0.000 2.467 544 Y HA 0.330 4.880 4.550 -0.001 0.000 0.259 544 Y C 1.522 177.219 175.900 -0.339 0.000 1.084 544 Y CA -0.028 57.925 58.100 -0.245 0.000 1.275 544 Y CB 0.479 38.785 38.460 -0.257 0.000 1.208 544 Y HN -0.025 nan 8.280 nan 0.000 0.511 545 M N -0.532 118.879 119.600 -0.315 0.000 2.730 545 M HA 0.259 4.739 4.480 -0.001 0.000 0.258 545 M C 0.309 176.529 176.300 -0.133 0.000 1.279 545 M CA 0.605 55.680 55.300 -0.374 0.000 1.183 545 M CB -0.174 31.854 32.600 -0.955 0.000 1.291 545 M HN -0.026 nan 8.290 nan 0.000 0.518 546 L N 1.274 122.488 121.223 -0.016 0.000 2.395 546 L HA 0.239 4.578 4.340 -0.001 0.000 0.269 546 L C 0.093 177.010 176.870 0.078 0.000 1.133 546 L CA -0.206 54.622 54.840 -0.021 0.000 0.812 546 L CB 0.499 42.453 42.059 -0.176 0.000 1.125 546 L HN 0.413 nan 8.230 nan 0.000 0.452 547 H N -0.217 118.793 119.070 -0.099 0.000 3.017 547 H HA 0.364 4.920 4.556 -0.001 0.000 0.346 547 H C -1.220 174.060 175.328 -0.081 0.000 1.286 547 H CA -1.281 54.759 56.048 -0.014 0.000 1.120 547 H CB 1.557 31.348 29.762 0.048 0.000 1.860 547 H HN 0.395 nan 8.280 nan 0.000 0.542 548 K N 1.718 122.044 120.400 -0.124 0.000 2.451 548 K HA 0.330 4.650 4.320 -0.001 0.000 0.280 548 K C -0.001 176.323 176.600 -0.461 0.000 1.020 548 K CA 0.157 56.313 56.287 -0.218 0.000 1.008 548 K CB 0.451 32.892 32.500 -0.098 0.000 0.917 548 K HN 0.618 nan 8.250 nan 0.000 0.478 549 A N 3.627 126.280 122.820 -0.279 0.000 2.425 549 A HA 0.337 4.657 4.320 -0.001 0.000 0.242 549 A C 0.599 178.073 177.584 -0.183 0.000 1.077 549 A CA 0.147 52.050 52.037 -0.223 0.000 0.781 549 A CB 0.374 19.319 19.000 -0.092 0.000 1.020 549 A HN 0.919 nan 8.150 nan 0.000 0.494 550 G N -0.431 108.305 108.800 -0.106 0.000 2.653 550 G HA2 0.353 4.312 3.960 -0.001 0.000 0.265 550 G HA3 0.353 4.312 3.960 -0.001 0.000 0.265 550 G C 1.268 176.169 174.900 0.002 0.000 1.237 550 G CA 0.399 45.478 45.100 -0.035 0.000 0.946 550 G HN 1.510 nan 8.290 nan 0.000 0.522 551 S N -1.067 114.644 115.700 0.019 0.000 2.419 551 S HA -0.198 4.271 4.470 -0.001 0.000 0.233 551 S C 2.390 177.031 174.600 0.068 0.000 1.016 551 S CA 1.786 60.005 58.200 0.031 0.000 0.974 551 S CB -0.624 62.594 63.200 0.029 0.000 0.786 551 S HN 1.032 nan 8.310 nan 0.000 0.492 552 S N 0.947 116.709 115.700 0.103 0.000 2.442 552 S HA 0.042 4.512 4.470 -0.001 0.000 0.236 552 S C 1.507 176.223 174.600 0.193 0.000 1.007 552 S CA 1.044 59.353 58.200 0.182 0.000 0.965 552 S CB -0.567 62.787 63.200 0.257 0.000 0.773 552 S HN 0.469 nan 8.310 nan 0.000 0.504 553 S N 0.565 116.339 115.700 0.123 0.000 2.663 553 S HA 0.601 5.070 4.470 -0.001 0.000 0.243 553 S C 0.895 175.480 174.600 -0.025 0.000 1.009 553 S CA -0.095 58.165 58.200 0.101 0.000 0.988 553 S CB 0.302 63.566 63.200 0.107 0.000 0.896 553 S HN 1.074 nan 8.310 nan 0.000 0.502 554 G N 2.430 111.231 108.800 0.001 0.000 2.562 554 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.250 554 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.250 554 G C -0.780 174.079 174.900 -0.068 0.000 1.269 554 G CA -0.043 45.040 45.100 -0.029 0.000 0.919 554 G HN 0.416 nan 8.290 nan 0.000 0.574 555 D N 1.302 121.656 120.400 -0.076 0.000 2.443 555 D HA 0.591 5.231 4.640 -0.001 0.000 0.221 555 D C 0.580 176.814 176.300 -0.110 0.000 1.097 555 D CA 0.004 53.959 54.000 -0.075 0.000 0.865 555 D CB -0.244 40.530 40.800 -0.044 0.000 1.034 555 D HN 0.858 nan 8.370 nan 0.000 0.511 556 R N 1.814 122.234 120.500 -0.133 0.000 3.062 556 R HA 0.253 4.592 4.340 -0.001 0.000 0.279 556 R C -1.408 174.783 176.300 -0.182 0.000 1.003 556 R CA -0.937 55.062 56.100 -0.169 0.000 0.872 556 R CB 0.098 30.250 30.300 -0.246 0.000 1.280 556 R HN 0.132 nan 8.270 nan 0.000 0.516 557 L N 2.069 123.161 121.223 -0.219 0.000 2.367 557 L HA 0.394 4.734 4.340 -0.001 0.000 0.275 557 L C 0.483 177.263 176.870 -0.149 0.000 1.129 557 L CA 0.109 54.798 54.840 -0.252 0.000 0.839 557 L CB 1.240 43.025 42.059 -0.457 0.000 1.133 557 L HN 0.943 nan 8.230 nan 0.000 0.453 558 T N -2.493 112.052 114.554 -0.016 0.000 2.858 558 T HA 0.320 4.669 4.350 -0.001 0.000 0.285 558 T C 0.740 175.506 174.700 0.110 0.000 1.052 558 T CA -0.101 62.036 62.100 0.061 0.000 1.009 558 T CB 1.683 70.624 68.868 0.120 0.000 1.241 558 T HN 0.591 nan 8.240 nan 0.000 0.542 559 T N -2.210 112.412 114.554 0.113 0.000 3.107 559 T HA 0.528 4.877 4.350 -0.001 0.000 0.249 559 T C 1.388 176.106 174.700 0.030 0.000 1.096 559 T CA 0.346 62.509 62.100 0.105 0.000 1.012 559 T CB -0.956 68.035 68.868 0.206 0.000 0.977 559 T HN 1.796 nan 8.240 nan 0.000 0.527 560 G N 1.317 110.109 108.800 -0.013 0.000 2.568 560 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.222 560 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.222 560 G C -0.064 174.893 174.900 0.096 0.000 1.321 560 G CA -0.390 44.620 45.100 -0.150 0.000 0.893 560 G HN 1.220 nan 8.290 nan 0.000 0.569 561 V N 0.897 120.865 119.914 0.090 0.000 2.539 561 V HA 0.452 4.572 4.120 -0.001 0.000 0.300 561 V C 0.785 177.119 176.094 0.401 0.000 1.019 561 V CA 1.699 64.097 62.300 0.163 0.000 1.160 561 V CB 0.081 31.900 31.823 -0.007 0.000 0.901 561 V HN 2.532 nan 8.190 nan 0.000 0.481 562 A N 5.917 129.008 122.820 0.451 0.000 2.539 562 A HA 0.775 5.095 4.320 -0.001 0.000 0.296 562 A C -1.569 176.426 177.584 0.685 0.000 1.073 562 A CA -0.664 51.721 52.037 0.580 0.000 0.700 562 A CB 1.722 20.973 19.000 0.418 0.000 1.296 562 A HN 1.323 nan 8.150 nan 0.000 0.405 563 Y N 1.027 121.625 120.300 0.497 0.000 2.391 563 Y HA 0.630 5.180 4.550 -0.001 0.000 0.341 563 Y C 0.112 176.162 175.900 0.249 0.000 0.965 563 Y CA -0.828 57.523 58.100 0.418 0.000 1.067 563 Y CB 2.243 40.926 38.460 0.371 0.000 1.199 563 Y HN 0.631 nan 8.280 nan 0.000 0.450 564 S N 8.255 123.808 115.700 -0.246 0.000 2.416 564 S HA 0.429 4.898 4.470 -0.001 0.000 0.287 564 S C -2.704 171.461 174.600 -0.724 0.000 1.139 564 S CA -1.567 56.376 58.200 -0.429 0.000 1.058 564 S CB 0.065 63.023 63.200 -0.404 0.000 0.967 564 S HN 0.430 nan 8.310 nan 0.000 0.495 565 P HA 0.104 nan 4.420 nan 0.000 0.264 565 P C -0.715 176.310 177.300 -0.457 0.000 1.193 565 P CA 0.225 62.968 63.100 -0.596 0.000 0.763 565 P CB 0.261 31.595 31.700 -0.610 0.000 0.810 566 E N 2.800 122.936 120.200 -0.107 0.000 3.568 566 E HA 0.142 4.491 4.350 -0.001 0.000 0.213 566 E C -0.120 176.521 176.600 0.069 0.000 1.197 566 E CA -0.292 56.102 56.400 -0.010 0.000 1.126 566 E CB 0.513 30.340 29.700 0.211 0.000 1.285 566 E HN 0.488 nan 8.360 nan 0.000 0.418 567 Q N -0.665 118.979 119.800 -0.260 0.000 2.648 567 Q HA 0.704 5.044 4.340 -0.001 0.000 0.300 567 Q C 0.139 176.198 176.000 0.097 0.000 0.954 567 Q CA -0.715 54.998 55.803 -0.151 0.000 0.757 567 Q CB 1.411 29.761 28.738 -0.647 0.000 1.482 567 Q HN 0.220 nan 8.270 nan 0.000 0.437 568 G N 0.148 109.044 108.800 0.161 0.000 2.693 568 G HA2 -0.130 3.830 3.960 -0.001 0.000 0.226 568 G HA3 -0.130 3.830 3.960 -0.001 0.000 0.226 568 G C -2.736 172.247 174.900 0.140 0.000 1.354 568 G CA -0.444 44.683 45.100 0.046 0.000 0.873 568 G HN 0.670 nan 8.290 nan 0.000 0.562 569 P HA 0.453 nan 4.420 nan 0.000 0.271 569 P C 0.171 177.666 177.300 0.324 0.000 1.216 569 P CA -0.300 62.855 63.100 0.092 0.000 0.776 569 P CB 0.485 32.187 31.700 0.002 0.000 0.881 570 L N 2.167 123.527 121.223 0.229 0.000 2.305 570 L HA 0.433 4.772 4.340 -0.001 0.000 0.281 570 L C 1.223 178.139 176.870 0.076 0.000 1.085 570 L CA -0.135 54.823 54.840 0.196 0.000 0.813 570 L CB -0.035 41.983 42.059 -0.067 0.000 1.157 570 L HN 0.734 nan 8.230 nan 0.000 0.436 571 G N 1.743 110.629 108.800 0.143 0.000 2.385 571 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.294 571 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.294 571 G C 0.181 175.155 174.900 0.123 0.000 1.070 571 G CA 0.250 45.363 45.100 0.022 0.000 1.172 571 G HN 0.796 nan 8.290 nan 0.000 0.516 572 T N -2.221 112.471 114.554 0.231 0.000 2.824 572 T HA 0.537 4.887 4.350 -0.001 0.000 0.277 572 T C 0.224 175.043 174.700 0.198 0.000 0.975 572 T CA -0.144 62.083 62.100 0.212 0.000 0.966 572 T CB 1.988 70.956 68.868 0.167 0.000 1.054 572 T HN 0.133 nan 8.240 nan 0.000 0.533 573 D N 0.759 121.270 120.400 0.186 0.000 2.508 573 D HA 0.399 5.039 4.640 -0.001 0.000 0.224 573 D C 1.089 177.531 176.300 0.236 0.000 1.171 573 D CA 1.133 55.261 54.000 0.215 0.000 1.006 573 D CB -0.972 39.952 40.800 0.207 0.000 1.073 573 D HN 1.089 nan 8.370 nan 0.000 0.513 574 G N 2.790 111.733 108.800 0.238 0.000 2.855 574 G HA2 -0.135 3.825 3.960 -0.001 0.000 0.352 574 G HA3 -0.135 3.825 3.960 -0.001 0.000 0.352 574 G C -0.434 174.614 174.900 0.248 0.000 1.415 574 G CA -0.195 45.059 45.100 0.258 0.000 0.871 574 G HN 0.874 nan 8.290 nan 0.000 0.543 575 N N -3.735 115.090 118.700 0.210 0.000 3.185 575 N HA 0.522 5.262 4.740 -0.001 0.000 0.238 575 N C 0.594 176.018 175.510 -0.144 0.000 1.451 575 N CA 0.264 53.259 53.050 -0.092 0.000 0.888 575 N CB 0.232 38.650 38.487 -0.115 0.000 1.413 575 N HN 0.564 nan 8.380 nan 0.000 0.511 576 T N -0.714 113.572 114.554 -0.446 0.000 2.788 576 T HA -0.159 4.191 4.350 -0.001 0.000 0.268 576 T C 1.169 175.811 174.700 -0.097 0.000 1.044 576 T CA 1.690 63.632 62.100 -0.263 0.000 1.139 576 T CB -0.626 68.044 68.868 -0.330 0.000 0.867 576 T HN 0.493 nan 8.240 nan 0.000 0.454 577 Y N 2.416 122.584 120.300 -0.219 0.000 1.993 577 Y HA -0.262 4.288 4.550 -0.001 0.000 0.267 577 Y C 2.320 178.140 175.900 -0.132 0.000 1.155 577 Y CA 1.748 59.742 58.100 -0.178 0.000 1.105 577 Y CB -0.528 37.843 38.460 -0.148 0.000 0.960 577 Y HN 0.266 nan 8.280 nan 0.000 0.486 578 E N -0.635 119.463 120.200 -0.169 0.000 2.077 578 E HA -0.175 4.175 4.350 -0.001 0.000 0.193 578 E C 2.356 178.859 176.600 -0.162 0.000 0.989 578 E CA 1.429 57.690 56.400 -0.233 0.000 0.800 578 E CB -0.254 29.461 29.700 0.025 0.000 0.746 578 E HN 0.436 nan 8.360 nan 0.000 0.452 579 S N 0.742 116.419 115.700 -0.039 0.000 2.355 579 S HA -0.113 4.357 4.470 -0.001 0.000 0.222 579 S C 2.217 176.792 174.600 -0.042 0.000 1.031 579 S CA 0.938 59.135 58.200 -0.005 0.000 0.993 579 S CB -0.111 63.154 63.200 0.108 0.000 0.859 579 S HN 0.143 nan 8.310 nan 0.000 0.453 580 S N 1.773 117.408 115.700 -0.108 0.000 2.370 580 S HA -0.027 4.442 4.470 -0.001 0.000 0.226 580 S C 1.798 176.325 174.600 -0.123 0.000 1.033 580 S CA 1.035 59.145 58.200 -0.150 0.000 1.011 580 S CB -0.462 62.604 63.200 -0.223 0.000 0.852 580 S HN 0.360 nan 8.310 nan 0.000 0.457 581 L N 0.742 121.806 121.223 -0.264 0.000 2.056 581 L HA -0.058 4.281 4.340 -0.001 0.000 0.207 581 L C 2.264 178.985 176.870 -0.248 0.000 1.078 581 L CA 0.889 55.543 54.840 -0.311 0.000 0.749 581 L CB -0.489 41.275 42.059 -0.491 0.000 0.901 581 L HN 0.217 nan 8.230 nan 0.000 0.433 582 V N -1.653 118.107 119.914 -0.256 0.000 2.591 582 V HA -0.240 3.879 4.120 -0.001 0.000 0.249 582 V C 1.991 177.984 176.094 -0.167 0.000 1.053 582 V CA 1.266 63.376 62.300 -0.318 0.000 1.068 582 V CB -0.442 31.171 31.823 -0.351 0.000 0.689 582 V HN 0.580 nan 8.190 nan 0.000 0.462 583 W N 0.982 122.144 121.300 -0.229 0.000 2.333 583 W HA -0.300 4.360 4.660 -0.001 0.000 0.316 583 W C 2.615 179.026 176.519 -0.180 0.000 1.215 583 W CA 2.306 59.547 57.345 -0.175 0.000 1.278 583 W CB -0.159 29.217 29.460 -0.140 0.000 1.154 583 W HN 0.171 nan 8.180 nan 0.000 0.486 584 Q N 0.236 120.159 119.800 0.205 0.000 2.084 584 Q HA -0.269 4.071 4.340 -0.001 0.000 0.202 584 Q C 2.386 178.252 176.000 -0.222 0.000 0.978 584 Q CA 2.584 58.413 55.803 0.044 0.000 0.844 584 Q CB -0.849 27.937 28.738 0.080 0.000 0.898 584 Q HN 0.508 nan 8.270 nan 0.000 0.426 585 M N -0.951 118.502 119.600 -0.244 0.000 2.117 585 M HA -0.172 4.308 4.480 -0.001 0.000 0.262 585 M C 1.598 177.632 176.300 -0.443 0.000 1.065 585 M CA 1.483 56.587 55.300 -0.327 0.000 1.114 585 M CB -0.049 32.351 32.600 -0.333 0.000 1.361 585 M HN 0.328 nan 8.290 nan 0.000 0.408 586 L N 0.044 120.993 121.223 -0.458 0.000 2.093 586 L HA -0.233 4.106 4.340 -0.001 0.000 0.208 586 L C 2.526 179.111 176.870 -0.475 0.000 1.085 586 L CA 1.269 55.809 54.840 -0.500 0.000 0.755 586 L CB -1.161 40.664 42.059 -0.390 0.000 0.904 586 L HN 0.535 nan 8.230 nan 0.000 0.435 587 N N 0.459 118.802 118.700 -0.594 0.000 2.061 587 N HA -0.237 4.502 4.740 -0.001 0.000 0.193 587 N C 1.311 176.576 175.510 -0.408 0.000 1.030 587 N CA 2.166 54.864 53.050 -0.586 0.000 0.856 587 N CB 0.004 38.003 38.487 -0.813 0.000 1.023 587 N HN 0.285 nan 8.380 nan 0.000 0.424 588 D N 0.497 120.611 120.400 -0.477 0.000 2.123 588 D HA 0.001 4.640 4.640 -0.001 0.000 0.200 588 D C 1.915 177.868 176.300 -0.579 0.000 0.976 588 D CA 1.084 54.658 54.000 -0.710 0.000 0.831 588 D CB -0.519 39.709 40.800 -0.954 0.000 0.974 588 D HN 0.404 nan 8.370 nan 0.000 0.469 589 A N 0.687 123.223 122.820 -0.474 0.000 1.908 589 A HA -0.160 4.160 4.320 -0.001 0.000 0.218 589 A C 2.328 179.908 177.584 -0.007 0.000 1.181 589 A CA 1.030 52.837 52.037 -0.383 0.000 0.627 589 A CB -0.786 17.662 19.000 -0.921 0.000 0.818 589 A HN 0.198 nan 8.150 nan 0.000 0.445 590 I N -0.433 120.143 120.570 0.009 0.000 2.226 590 I HA -0.267 3.902 4.170 -0.001 0.000 0.245 590 I C 2.516 178.695 176.117 0.103 0.000 1.100 590 I CA 1.639 63.048 61.300 0.183 0.000 1.374 590 I CB -0.438 37.616 38.000 0.089 0.000 1.057 590 I HN 0.428 nan 8.210 nan 0.000 0.413 591 E N 0.885 121.096 120.200 0.019 0.000 2.085 591 E HA -0.246 4.103 4.350 -0.001 0.000 0.194 591 E C 2.351 179.040 176.600 0.148 0.000 0.994 591 E CA 1.387 57.840 56.400 0.087 0.000 0.801 591 E CB -0.241 29.531 29.700 0.120 0.000 0.743 591 E HN 0.540 nan 8.360 nan 0.000 0.453 592 A N 1.468 124.376 122.820 0.147 0.000 1.902 592 A HA -0.109 4.211 4.320 -0.001 0.000 0.217 592 A C 2.386 180.001 177.584 0.051 0.000 1.181 592 A CA 1.692 53.827 52.037 0.164 0.000 0.623 592 A CB -0.600 18.564 19.000 0.273 0.000 0.818 592 A HN 0.296 nan 8.150 nan 0.000 0.443 593 A N -0.165 122.748 122.820 0.155 0.000 1.873 593 A HA -0.145 4.175 4.320 -0.001 0.000 0.215 593 A C 2.103 179.649 177.584 -0.064 0.000 1.186 593 A CA 1.765 53.804 52.037 0.003 0.000 0.616 593 A CB -0.459 18.710 19.000 0.282 0.000 0.823 593 A HN 0.529 nan 8.150 nan 0.000 0.442 594 K N -0.285 120.125 120.400 0.016 0.000 2.020 594 K HA -0.169 4.151 4.320 -0.001 0.000 0.212 594 K C 2.235 178.825 176.600 -0.016 0.000 1.050 594 K CA 1.362 57.651 56.287 0.003 0.000 0.929 594 K CB -0.415 32.105 32.500 0.034 0.000 0.714 594 K HN 0.441 nan 8.250 nan 0.000 0.443 595 A N 1.556 124.377 122.820 0.002 0.000 2.076 595 A HA -0.189 4.130 4.320 -0.001 0.000 0.220 595 A C 1.597 179.138 177.584 -0.071 0.000 1.160 595 A CA 1.531 53.568 52.037 -0.000 0.000 0.653 595 A CB -0.224 18.807 19.000 0.051 0.000 0.801 595 A HN 0.253 nan 8.150 nan 0.000 0.455 596 K N -1.764 118.546 120.400 -0.151 0.000 2.374 596 K HA 0.280 4.600 4.320 -0.001 0.000 0.196 596 K C 0.866 177.379 176.600 -0.146 0.000 1.023 596 K CA 0.423 56.593 56.287 -0.195 0.000 1.103 596 K CB 0.202 32.479 32.500 -0.373 0.000 0.848 596 K HN 0.614 nan 8.250 nan 0.000 0.528 597 G N 2.738 111.475 108.800 -0.106 0.000 2.149 597 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.235 597 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.235 597 G C -0.201 174.646 174.900 -0.087 0.000 1.018 597 G CA 0.191 45.245 45.100 -0.077 0.000 0.728 597 G HN 0.429 nan 8.290 nan 0.000 0.508 598 D N -0.771 119.563 120.400 -0.110 0.000 2.704 598 D HA -0.162 4.478 4.640 -0.001 0.000 0.232 598 D C 0.296 176.536 176.300 -0.100 0.000 1.183 598 D CA 1.161 55.098 54.000 -0.105 0.000 0.647 598 D CB -0.066 40.689 40.800 -0.074 0.000 1.013 598 D HN 0.437 nan 8.370 nan 0.000 0.415 599 P HA -0.128 nan 4.420 nan 0.000 0.219 599 P C 0.773 178.045 177.300 -0.048 0.000 1.146 599 P CA 0.923 63.977 63.100 -0.075 0.000 0.808 599 P CB 0.275 31.927 31.700 -0.080 0.000 0.779 600 D N -0.951 119.428 120.400 -0.035 0.000 2.350 600 D HA 0.110 4.750 4.640 -0.001 0.000 0.213 600 D C 1.318 177.559 176.300 -0.097 0.000 1.031 600 D CA 0.696 54.679 54.000 -0.028 0.000 0.861 600 D CB -0.375 40.454 40.800 0.048 0.000 0.926 600 D HN 0.156 nan 8.370 nan 0.000 0.520 601 G N 1.621 110.351 108.800 -0.118 0.000 2.323 601 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.292 601 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.292 601 G C 0.809 175.560 174.900 -0.248 0.000 1.040 601 G CA 0.252 45.263 45.100 -0.148 0.000 0.942 601 G HN 0.395 nan 8.290 nan 0.000 0.506 602 L N -0.947 120.045 121.223 -0.385 0.000 2.590 602 L HA 0.108 4.448 4.340 -0.001 0.000 0.227 602 L C 2.652 179.068 176.870 -0.756 0.000 1.099 602 L CA 0.159 54.532 54.840 -0.777 0.000 0.872 602 L CB 0.093 41.321 42.059 -1.385 0.000 1.088 602 L HN 0.242 nan 8.230 nan 0.000 0.479 603 V N 0.353 120.061 119.914 -0.344 0.000 2.343 603 V HA -0.099 4.021 4.120 -0.001 0.000 0.247 603 V C 1.781 177.832 176.094 -0.072 0.000 1.051 603 V CA 1.517 63.765 62.300 -0.088 0.000 1.036 603 V CB -1.255 30.565 31.823 -0.006 0.000 0.654 603 V HN 0.650 nan 8.190 nan 0.000 0.451 604 G N 1.193 109.924 108.800 -0.114 0.000 2.574 604 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.282 604 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.282 604 G C -0.191 174.689 174.900 -0.032 0.000 1.257 604 G CA 0.596 45.648 45.100 -0.080 0.000 0.956 604 G HN 1.101 nan 8.290 nan 0.000 0.560 605 N N -3.639 115.052 118.700 -0.017 0.000 3.364 605 N HA 0.583 5.323 4.740 -0.001 0.000 0.294 605 N C 0.120 175.640 175.510 0.016 0.000 1.562 605 N CA 0.401 53.451 53.050 -0.000 0.000 0.862 605 N CB 0.603 39.083 38.487 -0.011 0.000 1.691 605 N HN 1.158 nan 8.380 nan 0.000 0.572 606 T N -3.591 110.975 114.554 0.020 0.000 3.243 606 T HA 0.309 4.659 4.350 -0.001 0.000 0.264 606 T C -0.354 174.359 174.700 0.022 0.000 1.000 606 T CA -0.276 61.844 62.100 0.033 0.000 0.901 606 T CB -1.064 67.827 68.868 0.038 0.000 1.083 606 T HN 0.472 nan 8.240 nan 0.000 0.559 607 T N 3.304 117.863 114.554 0.007 0.000 2.817 607 T HA 0.248 4.597 4.350 -0.001 0.000 0.293 607 T C -0.044 174.653 174.700 -0.005 0.000 0.964 607 T CA -0.299 61.800 62.100 -0.001 0.000 1.085 607 T CB 0.453 69.315 68.868 -0.011 0.000 0.921 607 T HN 0.370 nan 8.240 nan 0.000 0.502 608 D N 0.505 120.904 120.400 -0.002 0.000 2.689 608 D HA -0.160 4.479 4.640 -0.001 0.000 0.237 608 D C -0.099 176.204 176.300 0.006 0.000 1.148 608 D CA 0.366 54.363 54.000 -0.005 0.000 0.656 608 D CB -1.234 39.553 40.800 -0.022 0.000 1.050 608 D HN 0.532 nan 8.370 nan 0.000 0.426 609 c N 1.252 119.871 118.600 0.031 0.000 2.281 609 c HA 0.675 5.244 4.570 -0.001 0.000 0.325 609 c C 0.251 174.397 174.090 0.094 0.000 1.282 609 c CA 0.017 56.390 56.329 0.073 0.000 1.640 609 c CB 0.765 43.323 42.510 0.080 0.000 2.288 609 c HN 0.428 nan 8.230 nan 0.000 0.507 610 S N 3.481 119.272 115.700 0.151 0.000 2.547 610 S HA 0.617 5.087 4.470 -0.001 0.000 0.270 610 S C 0.492 175.239 174.600 0.245 0.000 1.150 610 S CA 0.195 58.477 58.200 0.137 0.000 0.850 610 S CB 1.454 64.706 63.200 0.086 0.000 1.118 610 S HN 1.446 nan 8.310 nan 0.000 0.461 611 A N 2.117 125.026 122.820 0.148 0.000 2.070 611 A HA -0.016 4.304 4.320 -0.001 0.000 0.220 611 A C 1.367 179.101 177.584 0.250 0.000 1.159 611 A CA 1.880 54.003 52.037 0.143 0.000 0.656 611 A CB -0.711 18.279 19.000 -0.018 0.000 0.800 611 A HN 0.846 nan 8.150 nan 0.000 0.453 612 D N 0.540 121.042 120.400 0.170 0.000 2.263 612 D HA -0.117 4.523 4.640 -0.001 0.000 0.208 612 D C 1.073 177.466 176.300 0.155 0.000 0.971 612 D CA 0.798 54.883 54.000 0.141 0.000 0.867 612 D CB -0.394 40.451 40.800 0.075 0.000 0.929 612 D HN 0.372 nan 8.370 nan 0.000 0.492 613 N N -0.162 118.645 118.700 0.179 0.000 2.443 613 N HA -0.142 4.598 4.740 -0.001 0.000 0.184 613 N C 1.132 176.527 175.510 -0.191 0.000 1.037 613 N CA 0.471 53.491 53.050 -0.051 0.000 0.896 613 N CB -0.191 38.159 38.487 -0.228 0.000 0.959 613 N HN 0.464 nan 8.380 nan 0.000 0.442 614 W N 1.099 122.408 121.300 0.014 0.000 3.316 614 W HA 0.383 5.042 4.660 -0.001 0.000 0.327 614 W C 0.261 176.965 176.519 0.308 0.000 1.232 614 W CA -0.827 56.636 57.345 0.198 0.000 1.805 614 W CB -0.009 29.569 29.460 0.197 0.000 1.090 614 W HN -0.088 nan 8.180 nan 0.000 0.654 615 A N 2.107 125.119 122.820 0.320 0.000 2.567 615 A HA 0.123 4.442 4.320 -0.001 0.000 0.240 615 A C 0.174 177.892 177.584 0.224 0.000 1.053 615 A CA 0.797 52.964 52.037 0.216 0.000 0.755 615 A CB 0.128 19.203 19.000 0.126 0.000 0.978 615 A HN 0.232 nan 8.150 nan 0.000 0.507 616 K N 1.482 121.953 120.400 0.118 0.000 2.385 616 K HA 0.337 4.657 4.320 -0.001 0.000 0.248 616 K C -0.342 176.262 176.600 0.007 0.000 0.955 616 K CA -0.922 55.371 56.287 0.009 0.000 0.816 616 K CB 1.541 33.974 32.500 -0.111 0.000 1.250 616 K HN 0.880 nan 8.250 nan 0.000 0.434 617 N N -0.025 118.666 118.700 -0.015 0.000 2.327 617 N HA 0.013 4.753 4.740 -0.001 0.000 0.257 617 N C 0.135 175.637 175.510 -0.014 0.000 1.281 617 N CA -0.140 52.906 53.050 -0.007 0.000 0.942 617 N CB 0.307 38.790 38.487 -0.006 0.000 1.199 617 N HN 0.405 nan 8.380 nan 0.000 0.532 618 D N -1.150 119.246 120.400 -0.006 0.000 2.190 618 D HA -0.166 4.474 4.640 -0.001 0.000 0.200 618 D C 1.207 177.500 176.300 -0.010 0.000 0.992 618 D CA 1.733 55.730 54.000 -0.005 0.000 0.854 618 D CB -0.430 40.369 40.800 -0.002 0.000 0.936 618 D HN 0.688 nan 8.370 nan 0.000 0.462 619 S N -1.253 114.437 115.700 -0.016 0.000 2.593 619 S HA 0.276 4.745 4.470 -0.001 0.000 0.217 619 S C 1.603 176.184 174.600 -0.032 0.000 0.966 619 S CA 0.594 58.784 58.200 -0.017 0.000 0.914 619 S CB 0.393 63.586 63.200 -0.012 0.000 0.776 619 S HN 0.300 nan 8.310 nan 0.000 0.523 620 G N 1.320 110.086 108.800 -0.057 0.000 2.136 620 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.242 620 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.242 620 G C -0.371 174.398 174.900 -0.219 0.000 0.989 620 G CA -0.123 44.912 45.100 -0.108 0.000 0.682 620 G HN 0.557 nan 8.290 nan 0.000 0.522 621 N N -0.077 118.514 118.700 -0.182 0.000 2.443 621 N HA 0.591 5.330 4.740 -0.001 0.000 0.295 621 N C 0.045 175.427 175.510 -0.213 0.000 1.076 621 N CA -0.603 52.310 53.050 -0.229 0.000 0.919 621 N CB 0.593 39.026 38.487 -0.090 0.000 1.176 621 N HN -0.009 nan 8.380 nan 0.000 0.487 622 F N 0.635 120.534 119.950 -0.084 0.000 2.608 622 F HA -0.033 4.493 4.527 -0.001 0.000 0.380 622 F C 2.278 178.036 175.800 -0.070 0.000 1.083 622 F CA 0.303 58.244 58.000 -0.098 0.000 1.266 622 F CB 0.092 38.993 39.000 -0.165 0.000 1.076 622 F HN 0.448 nan 8.300 nan 0.000 0.574 623 T N 0.362 115.006 114.554 0.151 0.000 2.746 623 T HA -0.188 4.162 4.350 -0.001 0.000 0.267 623 T C 0.384 175.111 174.700 0.045 0.000 1.039 623 T CA 1.427 63.570 62.100 0.073 0.000 1.142 623 T CB -0.261 68.646 68.868 0.065 0.000 0.866 623 T HN 0.468 nan 8.240 nan 0.000 0.444 624 D N -0.165 120.252 120.400 0.029 0.000 2.460 624 D HA 0.537 5.176 4.640 -0.001 0.000 0.232 624 D C 0.715 176.970 176.300 -0.074 0.000 1.079 624 D CA -0.203 53.777 54.000 -0.033 0.000 0.864 624 D CB 1.159 41.922 40.800 -0.062 0.000 1.048 624 D HN 0.137 nan 8.370 nan 0.000 0.523 625 A N 3.947 126.740 122.820 -0.045 0.000 2.019 625 A HA -0.169 4.151 4.320 -0.001 0.000 0.219 625 A C 1.460 178.972 177.584 -0.120 0.000 1.164 625 A CA 1.182 53.183 52.037 -0.059 0.000 0.644 625 A CB -0.275 18.710 19.000 -0.025 0.000 0.805 625 A HN 0.665 nan 8.150 nan 0.000 0.449 626 N N -0.698 117.932 118.700 -0.118 0.000 2.236 626 N HA 0.391 5.131 4.740 -0.001 0.000 0.196 626 N C 0.329 175.741 175.510 -0.163 0.000 1.114 626 N CA 0.246 53.222 53.050 -0.124 0.000 0.859 626 N CB 0.353 38.790 38.487 -0.084 0.000 0.982 626 N HN 0.456 nan 8.380 nan 0.000 0.493 627 A N 0.859 123.547 122.820 -0.220 0.000 2.366 627 A HA 0.168 4.488 4.320 -0.001 0.000 0.249 627 A C 0.239 177.635 177.584 -0.313 0.000 1.084 627 A CA -0.332 51.558 52.037 -0.245 0.000 0.794 627 A CB 0.196 19.033 19.000 -0.272 0.000 1.034 627 A HN 0.199 nan 8.150 nan 0.000 0.491 628 N N 0.475 119.025 118.700 -0.250 0.000 2.406 628 N HA 0.097 4.836 4.740 -0.001 0.000 0.265 628 N C 0.040 175.324 175.510 -0.376 0.000 1.203 628 N CA 0.353 53.267 53.050 -0.227 0.000 0.945 628 N CB -0.039 38.384 38.487 -0.106 0.000 1.165 628 N HN 0.546 nan 8.380 nan 0.000 0.485 629 R N 1.210 121.427 120.500 -0.472 0.000 2.690 629 R HA 0.116 4.456 4.340 -0.001 0.000 0.419 629 R C 0.198 176.422 176.300 -0.126 0.000 1.090 629 R CA -0.372 55.344 56.100 -0.639 0.000 1.064 629 R CB 0.171 29.745 30.300 -1.208 0.000 1.391 629 R HN 0.590 nan 8.270 nan 0.000 0.586 630 S N -0.931 114.737 115.700 -0.054 0.000 2.589 630 S HA 0.018 4.488 4.470 -0.001 0.000 0.265 630 S C 1.035 175.758 174.600 0.205 0.000 1.342 630 S CA -0.628 57.558 58.200 -0.023 0.000 1.005 630 S CB 0.627 63.781 63.200 -0.076 0.000 0.909 630 S HN 0.267 nan 8.310 nan 0.000 0.555 631 W N 0.963 122.285 121.300 0.036 0.000 2.338 631 W HA -0.051 4.609 4.660 -0.001 0.000 0.304 631 W C 2.824 179.340 176.519 -0.006 0.000 1.212 631 W CA 0.761 58.119 57.345 0.021 0.000 1.264 631 W CB -2.084 27.372 29.460 -0.007 0.000 1.142 631 W HN 0.713 nan 8.180 nan 0.000 0.512 632 S N -0.390 115.435 115.700 0.209 0.000 2.368 632 S HA -0.200 4.270 4.470 -0.001 0.000 0.224 632 S C 2.000 176.661 174.600 0.102 0.000 1.029 632 S CA 1.473 59.735 58.200 0.103 0.000 0.988 632 S CB -0.957 62.280 63.200 0.061 0.000 0.838 632 S HN 0.382 nan 8.310 nan 0.000 0.462 633 c N 2.045 120.728 118.600 0.138 0.000 2.436 633 c HA -0.002 4.568 4.570 -0.001 0.000 0.277 633 c C 2.957 177.169 174.090 0.204 0.000 1.241 633 c CA 0.968 57.401 56.329 0.173 0.000 1.721 633 c CB -1.489 41.143 42.510 0.203 0.000 2.043 633 c HN 0.573 nan 8.230 nan 0.000 0.472 634 A N 0.381 123.371 122.820 0.284 0.000 1.883 634 A HA -0.227 4.092 4.320 -0.001 0.000 0.217 634 A C 2.319 179.902 177.584 -0.002 0.000 1.186 634 A CA 2.153 54.264 52.037 0.124 0.000 0.624 634 A CB -0.896 18.266 19.000 0.270 0.000 0.822 634 A HN 0.783 nan 8.150 nan 0.000 0.444 635 K N 0.343 120.752 120.400 0.014 0.000 2.074 635 K HA -0.192 4.128 4.320 -0.001 0.000 0.209 635 K C 2.175 178.806 176.600 0.053 0.000 1.048 635 K CA 2.006 58.259 56.287 -0.058 0.000 0.926 635 K CB -0.242 32.130 32.500 -0.214 0.000 0.713 635 K HN 0.609 nan 8.250 nan 0.000 0.444 636 S N 0.194 115.929 115.700 0.058 0.000 2.474 636 S HA -0.056 4.414 4.470 -0.001 0.000 0.235 636 S C 1.705 176.338 174.600 0.055 0.000 0.997 636 S CA 0.658 58.909 58.200 0.086 0.000 0.949 636 S CB -0.201 63.042 63.200 0.072 0.000 0.766 636 S HN 0.356 nan 8.310 nan 0.000 0.517 637 L N 0.178 121.402 121.223 0.002 0.000 2.585 637 L HA 0.340 4.680 4.340 -0.001 0.000 0.226 637 L C 1.958 178.772 176.870 -0.094 0.000 1.113 637 L CA 0.052 54.855 54.840 -0.062 0.000 0.876 637 L CB -0.240 41.735 42.059 -0.139 0.000 1.072 637 L HN 0.273 nan 8.230 nan 0.000 0.468 638 L N -0.114 121.085 121.223 -0.040 0.000 2.109 638 L HA -0.071 4.269 4.340 -0.001 0.000 0.207 638 L C 0.674 177.489 176.870 -0.092 0.000 1.086 638 L CA 0.449 55.256 54.840 -0.055 0.000 0.760 638 L CB -0.344 41.744 42.059 0.048 0.000 0.910 638 L HN 0.173 nan 8.230 nan 0.000 0.437 639 K N -0.917 119.460 120.400 -0.039 0.000 3.730 639 K HA -0.202 4.118 4.320 -0.001 0.000 0.276 639 K C -1.925 174.595 176.600 -0.133 0.000 0.904 639 K CA -0.012 56.225 56.287 -0.084 0.000 0.741 639 K CB -1.042 31.401 32.500 -0.095 0.000 1.542 639 K HN 0.227 nan 8.250 nan 0.000 0.446 640 P HA -0.108 nan 4.420 nan 0.000 0.220 640 P C 0.228 177.504 177.300 -0.041 0.000 1.148 640 P CA 0.965 64.019 63.100 -0.076 0.000 0.803 640 P CB 0.231 31.807 31.700 -0.206 0.000 0.782 641 I N 0.293 120.723 120.570 -0.233 0.000 2.378 641 I HA 0.315 4.484 4.170 -0.001 0.000 0.291 641 I C 0.310 176.164 176.117 -0.439 0.000 0.992 641 I CA -0.861 60.185 61.300 -0.424 0.000 1.154 641 I CB 1.242 38.743 38.000 -0.831 0.000 1.315 641 I HN -0.075 nan 8.210 nan 0.000 0.448 642 E N 4.423 124.465 120.200 -0.263 0.000 2.293 642 E HA 0.528 4.877 4.350 -0.001 0.000 0.270 642 E C -1.281 175.259 176.600 -0.100 0.000 0.879 642 E CA -0.794 55.523 56.400 -0.137 0.000 0.756 642 E CB 3.376 33.108 29.700 0.054 0.000 1.208 642 E HN 0.227 nan 8.360 nan 0.000 0.428 643 V N 1.971 121.887 119.914 0.004 0.000 2.439 643 V HA 0.434 4.553 4.120 -0.001 0.000 0.282 643 V C 0.730 176.864 176.094 0.067 0.000 1.039 643 V CA -0.335 62.003 62.300 0.063 0.000 0.913 643 V CB 1.284 33.196 31.823 0.149 0.000 0.983 643 V HN 0.806 nan 8.190 nan 0.000 0.460 644 G N 1.858 110.696 108.800 0.064 0.000 2.531 644 G HA2 0.240 4.200 3.960 -0.001 0.000 0.281 644 G HA3 0.240 4.200 3.960 -0.001 0.000 0.281 644 G C 0.330 175.267 174.900 0.062 0.000 1.382 644 G CA -0.253 44.883 45.100 0.061 0.000 1.045 644 G HN 0.639 nan 8.290 nan 0.000 0.533 645 D N -0.534 119.896 120.400 0.049 0.000 2.317 645 D HA -0.017 4.623 4.640 -0.001 0.000 0.211 645 D C 2.151 178.483 176.300 0.053 0.000 0.966 645 D CA 0.803 54.830 54.000 0.044 0.000 0.876 645 D CB 0.257 41.074 40.800 0.028 0.000 0.927 645 D HN 0.194 nan 8.370 nan 0.000 0.519 646 S N -0.639 115.098 115.700 0.061 0.000 2.597 646 S HA 0.306 4.775 4.470 -0.001 0.000 0.224 646 S C 1.507 176.203 174.600 0.161 0.000 0.955 646 S CA 0.317 58.580 58.200 0.106 0.000 0.933 646 S CB 0.850 64.092 63.200 0.069 0.000 0.788 646 S HN 0.369 nan 8.310 nan 0.000 0.488 647 G N 2.414 111.286 108.800 0.120 0.000 2.148 647 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.254 647 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.254 647 G C 0.025 175.006 174.900 0.135 0.000 0.981 647 G CA 0.281 45.452 45.100 0.119 0.000 0.670 647 G HN 0.595 nan 8.290 nan 0.000 0.528 648 Q N 0.580 120.465 119.800 0.142 0.000 2.205 648 Q HA 0.619 4.958 4.340 -0.001 0.000 0.249 648 Q C 0.286 176.344 176.000 0.096 0.000 0.948 648 Q CA -1.015 54.880 55.803 0.152 0.000 0.895 648 Q CB 1.234 30.083 28.738 0.185 0.000 1.249 648 Q HN 0.264 nan 8.270 nan 0.000 0.458 649 I N 2.075 122.694 120.570 0.081 0.000 2.533 649 I HA 0.073 4.243 4.170 -0.001 0.000 0.284 649 I C 0.764 176.927 176.117 0.078 0.000 1.109 649 I CA 0.092 61.405 61.300 0.022 0.000 1.412 649 I CB -0.023 37.942 38.000 -0.058 0.000 1.396 649 I HN 0.515 nan 8.210 nan 0.000 0.543 650 K N 5.303 125.692 120.400 -0.019 0.000 2.326 650 K HA 0.025 4.344 4.320 -0.001 0.000 0.275 650 K C 0.889 177.359 176.600 -0.215 0.000 1.018 650 K CA -0.118 56.125 56.287 -0.073 0.000 0.962 650 K CB 1.251 33.703 32.500 -0.080 0.000 0.953 650 K HN 0.536 nan 8.250 nan 0.000 0.475 651 E N 2.828 122.778 120.200 -0.415 0.000 2.250 651 E HA -0.009 4.340 4.350 -0.001 0.000 0.192 651 E C -0.479 175.450 176.600 -1.118 0.000 0.986 651 E CA 0.383 56.235 56.400 -0.913 0.000 0.849 651 E CB 0.493 29.259 29.700 -1.556 0.000 0.797 651 E HN 0.423 nan 8.360 nan 0.000 0.482 652 W N -0.469 120.578 121.300 -0.423 0.000 2.844 652 W HA 0.211 4.871 4.660 -0.001 0.000 0.340 652 W C -0.136 176.004 176.519 -0.631 0.000 1.093 652 W CA -0.869 56.100 57.345 -0.627 0.000 1.212 652 W CB 0.400 29.437 29.460 -0.706 0.000 1.422 652 W HN 0.033 nan 8.180 nan 0.000 0.515 653 Y N 0.681 120.901 120.300 -0.134 0.000 2.509 653 Y HA -0.203 4.347 4.550 -0.001 0.000 0.293 653 Y C 2.087 178.016 175.900 0.049 0.000 1.133 653 Y CA 1.001 59.069 58.100 -0.052 0.000 1.283 653 Y CB -0.599 37.834 38.460 -0.044 0.000 1.001 653 Y HN 0.222 nan 8.280 nan 0.000 0.555 654 F N 0.110 120.186 119.950 0.210 0.000 2.811 654 F HA 0.215 4.741 4.527 -0.001 0.000 0.301 654 F C 0.546 176.393 175.800 0.079 0.000 1.151 654 F CA -1.303 56.768 58.000 0.120 0.000 1.412 654 F CB -1.435 37.608 39.000 0.073 0.000 1.113 654 F HN -0.055 nan 8.300 nan 0.000 0.579 655 E N 0.816 121.285 120.200 0.447 0.000 2.392 655 E HA 0.378 4.728 4.350 -0.001 0.000 0.264 655 E C 0.954 177.655 176.600 0.167 0.000 1.024 655 E CA 0.333 56.922 56.400 0.315 0.000 0.903 655 E CB 0.729 30.570 29.700 0.236 0.000 0.963 655 E HN 0.369 nan 8.360 nan 0.000 0.432 656 G N 3.063 111.918 108.800 0.092 0.000 2.992 656 G HA2 0.435 4.395 3.960 -0.001 0.000 0.201 656 G HA3 0.435 4.395 3.960 -0.001 0.000 0.201 656 G C -0.047 174.865 174.900 0.020 0.000 2.057 656 G CA 0.311 45.438 45.100 0.046 0.000 0.800 656 G HN 0.734 nan 8.290 nan 0.000 0.700 657 A N -0.521 122.290 122.820 -0.015 0.000 2.346 657 A HA 0.527 4.846 4.320 -0.001 0.000 0.255 657 A C 0.115 177.640 177.584 -0.098 0.000 1.113 657 A CA -0.357 51.654 52.037 -0.044 0.000 0.798 657 A CB 0.058 19.024 19.000 -0.056 0.000 1.073 657 A HN 0.963 nan 8.150 nan 0.000 0.502 658 L N 0.795 121.922 121.223 -0.159 0.000 2.513 658 L HA 0.448 4.787 4.340 -0.001 0.000 0.272 658 L C 1.286 177.892 176.870 -0.441 0.000 1.187 658 L CA 1.902 56.585 54.840 -0.260 0.000 0.895 658 L CB -0.134 41.698 42.059 -0.378 0.000 1.147 658 L HN 1.613 nan 8.230 nan 0.000 0.483 659 G N 2.772 111.165 108.800 -0.677 0.000 2.162 659 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.260 659 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.260 659 G C 0.378 174.966 174.900 -0.521 0.000 0.976 659 G CA 0.678 45.044 45.100 -1.223 0.000 0.655 659 G HN 0.653 nan 8.290 nan 0.000 0.533 660 K N -0.295 119.935 120.400 -0.284 0.000 2.395 660 K HA 0.588 4.907 4.320 -0.001 0.000 0.247 660 K C 0.164 176.704 176.600 -0.099 0.000 0.973 660 K CA -1.004 55.179 56.287 -0.173 0.000 0.828 660 K CB 1.803 34.221 32.500 -0.136 0.000 1.272 660 K HN 0.076 nan 8.250 nan 0.000 0.439 661 K N 1.131 121.456 120.400 -0.124 0.000 2.098 661 K HA 0.180 4.499 4.320 -0.001 0.000 0.244 661 K C 0.701 177.269 176.600 -0.054 0.000 1.014 661 K CA -0.317 55.902 56.287 -0.114 0.000 0.917 661 K CB 0.696 33.043 32.500 -0.256 0.000 1.072 661 K HN 0.408 nan 8.250 nan 0.000 0.477 662 K N 0.965 121.355 120.400 -0.016 0.000 2.152 662 K HA -0.185 4.135 4.320 -0.001 0.000 0.206 662 K C 0.900 177.489 176.600 -0.018 0.000 1.048 662 K CA 1.984 58.274 56.287 0.005 0.000 0.933 662 K CB -0.075 32.444 32.500 0.032 0.000 0.721 662 K HN 0.571 nan 8.250 nan 0.000 0.447 663 D N -1.270 119.105 120.400 -0.042 0.000 2.325 663 D HA 0.063 4.702 4.640 -0.001 0.000 0.234 663 D C 0.939 177.210 176.300 -0.048 0.000 1.122 663 D CA 0.544 54.519 54.000 -0.043 0.000 0.850 663 D CB 0.197 40.966 40.800 -0.052 0.000 0.921 663 D HN 0.238 nan 8.370 nan 0.000 0.513 664 G N 0.172 108.941 108.800 -0.051 0.000 2.234 664 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.260 664 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.260 664 G C 0.465 175.324 174.900 -0.068 0.000 0.987 664 G CA 0.442 45.511 45.100 -0.052 0.000 0.625 664 G HN 0.860 nan 8.290 nan 0.000 0.532 665 S N 1.212 116.861 115.700 -0.085 0.000 2.549 665 S HA 0.533 5.003 4.470 -0.001 0.000 0.279 665 S C 0.767 175.293 174.600 -0.123 0.000 1.321 665 S CA 0.558 58.700 58.200 -0.098 0.000 1.054 665 S CB 1.133 64.267 63.200 -0.111 0.000 0.899 665 S HN 1.600 nan 8.310 nan 0.000 0.497 666 T N 1.004 115.493 114.554 -0.108 0.000 2.908 666 T HA 0.211 4.560 4.350 -0.001 0.000 0.325 666 T C 0.279 174.879 174.700 -0.165 0.000 1.092 666 T CA -0.484 61.543 62.100 -0.121 0.000 1.125 666 T CB -0.336 68.492 68.868 -0.066 0.000 1.016 666 T HN 0.603 nan 8.240 nan 0.000 0.550 667 I N 2.458 122.914 120.570 -0.191 0.000 2.337 667 I HA 0.112 4.281 4.170 -0.001 0.000 0.291 667 I C 0.694 176.714 176.117 -0.163 0.000 1.046 667 I CA -0.409 60.739 61.300 -0.254 0.000 1.324 667 I CB 0.795 38.586 38.000 -0.348 0.000 1.409 667 I HN 0.712 nan 8.210 nan 0.000 0.494 668 S N 5.115 120.715 115.700 -0.167 0.000 2.544 668 S HA 0.201 4.671 4.470 -0.001 0.000 0.290 668 S C 1.205 175.784 174.600 -0.036 0.000 1.276 668 S CA 0.399 58.552 58.200 -0.079 0.000 1.075 668 S CB 0.696 63.851 63.200 -0.075 0.000 0.849 668 S HN 1.102 nan 8.310 nan 0.000 0.494 669 G N 1.790 110.606 108.800 0.027 0.000 2.179 669 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.260 669 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.260 669 G C -0.039 174.903 174.900 0.070 0.000 0.977 669 G CA 0.153 45.291 45.100 0.064 0.000 0.641 669 G HN 0.813 nan 8.290 nan 0.000 0.533 670 Y N 1.847 122.115 120.300 -0.053 0.000 2.620 670 Y HA 0.375 4.925 4.550 -0.001 0.000 0.330 670 Y C 0.941 176.854 175.900 0.021 0.000 1.186 670 Y CA 0.520 58.618 58.100 -0.003 0.000 1.467 670 Y CB 0.576 39.032 38.460 -0.008 0.000 1.262 670 Y HN 0.371 nan 8.280 nan 0.000 0.550 671 Q N 6.075 125.542 119.800 -0.554 0.000 2.276 671 Q HA 0.201 4.541 4.340 -0.001 0.000 0.267 671 Q C 0.890 176.686 176.000 -0.341 0.000 1.135 671 Q CA 0.241 55.845 55.803 -0.332 0.000 0.910 671 Q CB 0.748 29.371 28.738 -0.191 0.000 1.271 671 Q HN 1.002 nan 8.270 nan 0.000 0.417 672 A N 4.248 127.062 122.820 -0.011 0.000 1.948 672 A HA -0.185 4.135 4.320 -0.001 0.000 0.220 672 A C 0.608 178.277 177.584 0.142 0.000 1.177 672 A CA 1.643 53.772 52.037 0.153 0.000 0.636 672 A CB -0.473 18.603 19.000 0.126 0.000 0.815 672 A HN 0.937 nan 8.150 nan 0.000 0.449 673 D N -0.908 119.537 120.400 0.076 0.000 2.384 673 D HA 0.037 4.677 4.640 -0.001 0.000 0.244 673 D C -0.083 176.276 176.300 0.098 0.000 1.251 673 D CA -0.472 53.584 54.000 0.093 0.000 0.961 673 D CB 0.102 40.945 40.800 0.070 0.000 1.116 673 D HN 0.137 nan 8.370 nan 0.000 0.484 674 N N -0.014 118.772 118.700 0.144 0.000 2.327 674 N HA -0.009 4.730 4.740 -0.001 0.000 0.231 674 N C 0.013 175.596 175.510 0.123 0.000 1.130 674 N CA -0.048 53.104 53.050 0.170 0.000 0.845 674 N CB 0.441 39.101 38.487 0.288 0.000 1.073 674 N HN 0.366 nan 8.380 nan 0.000 0.496 675 Q N 0.032 119.871 119.800 0.065 0.000 2.201 675 Q HA 0.042 4.381 4.340 -0.001 0.000 0.217 675 Q C -0.165 175.852 176.000 0.028 0.000 0.860 675 Q CA -0.366 55.465 55.803 0.046 0.000 0.984 675 Q CB -0.561 28.187 28.738 0.016 0.000 1.095 675 Q HN 0.383 nan 8.270 nan 0.000 0.477 676 H N 2.136 121.177 119.070 -0.049 0.000 3.094 676 H HA -0.073 4.483 4.556 -0.001 0.000 0.320 676 H C 1.551 176.881 175.328 0.003 0.000 1.000 676 H CA 0.844 56.879 56.048 -0.023 0.000 1.413 676 H CB 0.718 30.457 29.762 -0.037 0.000 1.405 676 H HN 0.194 nan 8.280 nan 0.000 0.586 677 R N 3.741 123.882 120.500 -0.599 0.000 2.081 677 R HA -0.064 4.276 4.340 -0.001 0.000 0.235 677 R C 0.187 176.209 176.300 -0.463 0.000 1.131 677 R CA 0.907 56.655 56.100 -0.587 0.000 0.960 677 R CB -0.383 29.522 30.300 -0.657 0.000 0.856 677 R HN 0.563 nan 8.270 nan 0.000 0.436 678 H N 0.898 119.781 119.070 -0.311 0.000 2.629 678 H HA 0.185 4.741 4.556 -0.001 0.000 0.357 678 H C 0.108 175.555 175.328 0.198 0.000 1.121 678 H CA 0.298 56.470 56.048 0.206 0.000 1.406 678 H CB 1.103 31.022 29.762 0.262 0.000 1.456 678 H HN 0.148 nan 8.280 nan 0.000 0.579 679 M N 2.212 122.031 119.600 0.365 0.000 2.952 679 M HA 0.110 4.589 4.480 -0.001 0.000 0.259 679 M C 0.714 177.177 176.300 0.271 0.000 1.306 679 M CA -0.163 55.320 55.300 0.305 0.000 0.626 679 M CB 0.887 33.576 32.600 0.148 0.000 1.423 679 M HN 0.383 nan 8.290 nan 0.000 0.459 680 S N 0.073 115.942 115.700 0.282 0.000 2.481 680 S HA -0.088 4.381 4.470 -0.001 0.000 0.231 680 S C 1.657 176.345 174.600 0.146 0.000 0.996 680 S CA 0.998 59.281 58.200 0.137 0.000 0.942 680 S CB -0.306 62.768 63.200 -0.209 0.000 0.768 680 S HN 0.665 nan 8.310 nan 0.000 0.520 681 H N 0.044 119.048 119.070 -0.110 0.000 2.539 681 H HA 0.287 4.842 4.556 -0.001 0.000 0.269 681 H C 0.980 176.218 175.328 -0.150 0.000 0.980 681 H CA 0.070 56.011 56.048 -0.179 0.000 1.152 681 H CB -0.412 29.176 29.762 -0.290 0.000 1.407 681 H HN 0.349 nan 8.280 nan 0.000 0.564 682 L N 1.067 122.054 121.223 -0.394 0.000 2.769 682 L HA 0.212 4.552 4.340 -0.001 0.000 0.240 682 L C 1.682 178.435 176.870 -0.196 0.000 1.163 682 L CA -0.097 54.529 54.840 -0.356 0.000 0.962 682 L CB 0.253 42.072 42.059 -0.401 0.000 1.258 682 L HN 0.096 nan 8.230 nan 0.000 0.513 683 L N 0.065 121.174 121.223 -0.191 0.000 2.275 683 L HA -0.070 4.270 4.340 -0.001 0.000 0.215 683 L C 2.511 179.238 176.870 -0.239 0.000 1.119 683 L CA 1.266 55.964 54.840 -0.237 0.000 0.790 683 L CB -0.759 41.026 42.059 -0.455 0.000 0.919 683 L HN 0.416 nan 8.230 nan 0.000 0.443 684 G N 0.411 109.071 108.800 -0.234 0.000 2.448 684 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.219 684 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.219 684 G C 1.581 176.374 174.900 -0.178 0.000 1.127 684 G CA 0.586 45.547 45.100 -0.232 0.000 0.766 684 G HN 0.272 nan 8.290 nan 0.000 0.552 685 L N -1.704 119.429 121.223 -0.150 0.000 2.102 685 L HA 0.516 4.855 4.340 -0.001 0.000 0.202 685 L C 0.143 177.008 176.870 -0.008 0.000 1.076 685 L CA 0.840 55.629 54.840 -0.086 0.000 0.761 685 L CB 0.122 42.117 42.059 -0.105 0.000 0.921 685 L HN 0.087 nan 8.230 nan 0.000 0.444 686 F N 0.174 120.026 119.950 -0.164 0.000 2.588 686 F HA 0.474 5.001 4.527 -0.001 0.000 0.318 686 F C -2.222 173.472 175.800 -0.177 0.000 1.155 686 F CA -1.743 56.147 58.000 -0.183 0.000 0.967 686 F CB 1.598 40.467 39.000 -0.217 0.000 1.236 686 F HN -0.168 nan 8.300 nan 0.000 0.455 687 P HA 0.182 nan 4.420 nan 0.000 0.249 687 P C 0.601 177.568 177.300 -0.555 0.000 1.229 687 P CA 0.404 62.637 63.100 -1.444 0.000 0.788 687 P CB 0.381 31.427 31.700 -1.091 0.000 1.072 688 G N 0.601 109.217 108.800 -0.306 0.000 2.553 688 G HA2 0.151 4.110 3.960 -0.001 0.000 0.278 688 G HA3 0.151 4.110 3.960 -0.001 0.000 0.278 688 G C -0.053 174.809 174.900 -0.063 0.000 1.349 688 G CA -0.185 44.842 45.100 -0.122 0.000 1.037 688 G HN -0.068 nan 8.290 nan 0.000 0.508 689 D N -0.812 119.613 120.400 0.041 0.000 2.513 689 D HA 0.070 4.709 4.640 -0.001 0.000 0.222 689 D C 1.812 178.151 176.300 0.065 0.000 1.210 689 D CA -0.423 53.627 54.000 0.083 0.000 0.825 689 D CB 0.897 41.792 40.800 0.159 0.000 1.037 689 D HN 0.134 nan 8.370 nan 0.000 0.506 690 L N 0.247 121.400 121.223 -0.117 0.000 2.095 690 L HA 0.219 4.558 4.340 -0.001 0.000 0.204 690 L C 0.290 177.023 176.870 -0.228 0.000 1.080 690 L CA 1.435 56.011 54.840 -0.440 0.000 0.759 690 L CB 0.155 41.757 42.059 -0.762 0.000 0.914 690 L HN -0.138 nan 8.230 nan 0.000 0.439 691 I N 0.383 120.869 120.570 -0.139 0.000 2.382 691 I HA 0.344 4.514 4.170 -0.001 0.000 0.286 691 I C -0.309 175.791 176.117 -0.028 0.000 1.002 691 I CA -0.278 60.985 61.300 -0.061 0.000 1.135 691 I CB 1.349 39.312 38.000 -0.061 0.000 1.288 691 I HN 0.161 nan 8.210 nan 0.000 0.448 692 T N 1.814 116.368 114.554 0.000 0.000 2.865 692 T HA 0.393 4.743 4.350 -0.001 0.000 0.294 692 T C 0.610 175.331 174.700 0.035 0.000 1.119 692 T CA -0.653 61.462 62.100 0.025 0.000 1.007 692 T CB 1.722 70.620 68.868 0.050 0.000 1.225 692 T HN 0.346 nan 8.240 nan 0.000 0.515 693 I N 0.815 121.421 120.570 0.060 0.000 2.530 693 I HA -0.092 4.078 4.170 -0.001 0.000 0.257 693 I C 1.543 177.693 176.117 0.056 0.000 1.179 693 I CA 1.729 63.068 61.300 0.065 0.000 1.440 693 I CB -0.319 37.738 38.000 0.096 0.000 1.087 693 I HN 0.678 nan 8.210 nan 0.000 0.440 694 D N -0.393 120.053 120.400 0.078 0.000 2.269 694 D HA -0.004 4.636 4.640 -0.001 0.000 0.220 694 D C 0.643 176.934 176.300 -0.015 0.000 0.962 694 D CA 0.602 54.616 54.000 0.024 0.000 0.884 694 D CB -0.133 40.721 40.800 0.090 0.000 1.023 694 D HN 0.416 nan 8.370 nan 0.000 0.484 695 N N 1.424 120.132 118.700 0.012 0.000 3.083 695 N HA 0.066 4.806 4.740 -0.001 0.000 0.260 695 N C 0.221 175.712 175.510 -0.030 0.000 1.163 695 N CA -0.101 52.943 53.050 -0.011 0.000 1.060 695 N CB 0.663 39.163 38.487 0.021 0.000 1.345 695 N HN -0.012 nan 8.380 nan 0.000 0.515 696 S N -0.523 115.143 115.700 -0.057 0.000 2.574 696 S HA 0.042 4.512 4.470 -0.001 0.000 0.242 696 S C 1.208 175.738 174.600 -0.117 0.000 0.982 696 S CA -0.495 57.670 58.200 -0.058 0.000 0.977 696 S CB 0.392 63.568 63.200 -0.040 0.000 0.814 696 S HN 0.468 nan 8.310 nan 0.000 0.464 697 E N 0.907 120.977 120.200 -0.217 0.000 2.097 697 E HA -0.218 4.131 4.350 -0.001 0.000 0.196 697 E C 0.231 176.559 176.600 -0.453 0.000 1.000 697 E CA 1.471 57.619 56.400 -0.420 0.000 0.804 697 E CB -0.104 29.187 29.700 -0.681 0.000 0.740 697 E HN 0.821 nan 8.360 nan 0.000 0.454 698 Y N -1.087 119.181 120.300 -0.054 0.000 2.555 698 Y HA 0.163 4.712 4.550 -0.001 0.000 0.259 698 Y C 1.409 177.272 175.900 -0.062 0.000 1.179 698 Y CA -0.173 57.892 58.100 -0.058 0.000 1.230 698 Y CB 0.167 38.580 38.460 -0.079 0.000 1.146 698 Y HN 0.123 nan 8.280 nan 0.000 0.526 699 M N 0.686 120.309 119.600 0.039 0.000 2.117 699 M HA -0.161 4.318 4.480 -0.001 0.000 0.262 699 M C 1.289 177.593 176.300 0.008 0.000 1.065 699 M CA 1.873 57.179 55.300 0.009 0.000 1.114 699 M CB -0.281 32.318 32.600 -0.002 0.000 1.361 699 M HN 0.054 nan 8.290 nan 0.000 0.408 700 D N 0.041 120.451 120.400 0.017 0.000 2.149 700 D HA -0.086 4.553 4.640 -0.001 0.000 0.198 700 D C 1.952 178.273 176.300 0.035 0.000 0.990 700 D CA 1.753 55.767 54.000 0.023 0.000 0.839 700 D CB -0.350 40.462 40.800 0.020 0.000 0.948 700 D HN 0.497 nan 8.370 nan 0.000 0.460 701 A N 0.709 123.566 122.820 0.062 0.000 1.897 701 A HA 0.057 4.376 4.320 -0.001 0.000 0.215 701 A C 2.281 179.878 177.584 0.023 0.000 1.181 701 A CA 1.884 53.965 52.037 0.074 0.000 0.620 701 A CB -0.721 18.354 19.000 0.125 0.000 0.821 701 A HN 0.215 nan 8.150 nan 0.000 0.443 702 A N 0.237 123.045 122.820 -0.019 0.000 1.865 702 A HA -0.226 4.093 4.320 -0.001 0.000 0.217 702 A C 2.104 179.583 177.584 -0.174 0.000 1.191 702 A CA 2.056 54.024 52.037 -0.114 0.000 0.623 702 A CB -0.541 18.381 19.000 -0.131 0.000 0.826 702 A HN 0.536 nan 8.150 nan 0.000 0.444 703 K N -0.983 119.331 120.400 -0.142 0.000 2.063 703 K HA -0.109 4.210 4.320 -0.001 0.000 0.208 703 K C 2.138 178.707 176.600 -0.051 0.000 1.048 703 K CA 1.795 57.984 56.287 -0.164 0.000 0.928 703 K CB -0.457 32.054 32.500 0.018 0.000 0.713 703 K HN 0.506 nan 8.250 nan 0.000 0.442 704 T N 0.572 115.128 114.554 0.003 0.000 2.684 704 T HA -0.143 4.206 4.350 -0.001 0.000 0.267 704 T C 2.078 176.846 174.700 0.113 0.000 1.036 704 T CA 1.663 63.782 62.100 0.032 0.000 1.148 704 T CB -0.246 68.675 68.868 0.088 0.000 0.863 704 T HN 0.148 nan 8.240 nan 0.000 0.436 705 S N 1.156 116.931 115.700 0.125 0.000 2.359 705 S HA 0.002 4.472 4.470 -0.001 0.000 0.224 705 S C 2.048 176.733 174.600 0.142 0.000 1.035 705 S CA 0.922 59.242 58.200 0.200 0.000 1.018 705 S CB -0.509 62.745 63.200 0.089 0.000 0.876 705 S HN 0.340 nan 8.310 nan 0.000 0.448 706 L N 0.774 121.955 121.223 -0.070 0.000 2.046 706 L HA -0.142 4.197 4.340 -0.001 0.000 0.208 706 L C 2.754 179.787 176.870 0.271 0.000 1.077 706 L CA 1.324 56.075 54.840 -0.148 0.000 0.747 706 L CB -0.422 41.071 42.059 -0.944 0.000 0.896 706 L HN 0.238 nan 8.230 nan 0.000 0.432 707 R N -1.179 119.525 120.500 0.340 0.000 2.083 707 R HA -0.202 4.137 4.340 -0.001 0.000 0.237 707 R C 2.335 178.843 176.300 0.348 0.000 1.137 707 R CA 1.733 58.100 56.100 0.444 0.000 0.951 707 R CB -0.490 29.859 30.300 0.082 0.000 0.851 707 R HN 0.224 nan 8.270 nan 0.000 0.434 708 Y N 0.503 120.968 120.300 0.275 0.000 2.165 708 Y HA -0.167 4.382 4.550 -0.001 0.000 0.286 708 Y C 2.377 178.414 175.900 0.228 0.000 1.155 708 Y CA 1.168 59.411 58.100 0.238 0.000 1.164 708 Y CB -0.124 38.461 38.460 0.208 0.000 0.978 708 Y HN -0.103 nan 8.280 nan 0.000 0.513 709 R N -1.314 119.408 120.500 0.369 0.000 2.285 709 R HA -0.053 4.286 4.340 -0.001 0.000 0.213 709 R C 1.364 177.762 176.300 0.164 0.000 1.068 709 R CA 1.026 57.271 56.100 0.241 0.000 1.004 709 R CB -0.803 29.612 30.300 0.193 0.000 0.873 709 R HN 0.382 nan 8.270 nan 0.000 0.467 710 C N -2.064 117.360 119.300 0.206 0.000 3.545 710 C HA 0.397 4.857 4.460 -0.001 0.000 0.368 710 C C 0.128 174.957 174.990 -0.268 0.000 1.400 710 C CA -0.580 58.422 59.018 -0.027 0.000 1.848 710 C CB -0.033 27.706 27.740 -0.002 0.000 2.576 710 C HN 0.030 nan 8.230 nan 0.000 0.683 711 F N 1.217 121.232 119.950 0.110 0.000 2.551 711 F HA 0.449 4.975 4.527 -0.001 0.000 0.316 711 F C 0.142 175.995 175.800 0.089 0.000 1.089 711 F CA -0.599 57.440 58.000 0.065 0.000 0.915 711 F CB 1.139 40.159 39.000 0.033 0.000 1.186 711 F HN -0.287 nan 8.300 nan 0.000 0.456 712 K N 2.404 122.956 120.400 0.254 0.000 2.404 712 K HA 0.518 4.837 4.320 -0.001 0.000 0.257 712 K C 0.524 177.227 176.600 0.173 0.000 1.026 712 K CA -0.111 56.294 56.287 0.196 0.000 0.951 712 K CB 1.258 33.839 32.500 0.135 0.000 1.203 712 K HN 0.880 nan 8.250 nan 0.000 0.446 713 G N 3.327 112.218 108.800 0.151 0.000 2.565 713 G HA2 -0.360 3.599 3.960 -0.001 0.000 0.295 713 G HA3 -0.360 3.599 3.960 -0.001 0.000 0.295 713 G C 0.419 175.360 174.900 0.069 0.000 1.165 713 G CA 0.117 45.268 45.100 0.085 0.000 0.977 713 G HN 0.627 nan 8.290 nan 0.000 0.546 714 N N 0.483 119.220 118.700 0.062 0.000 2.230 714 N HA 0.240 4.980 4.740 -0.001 0.000 0.202 714 N C 0.168 175.800 175.510 0.203 0.000 1.119 714 N CA 0.623 53.697 53.050 0.040 0.000 0.851 714 N CB 1.103 39.583 38.487 -0.011 0.000 0.990 714 N HN 0.380 nan 8.380 nan 0.000 0.497 715 V N 2.440 122.493 119.914 0.232 0.000 2.333 715 V HA 0.201 4.320 4.120 -0.001 0.000 0.274 715 V C 0.188 176.379 176.094 0.162 0.000 1.028 715 V CA -0.948 61.456 62.300 0.173 0.000 0.851 715 V CB 1.359 33.234 31.823 0.087 0.000 1.000 715 V HN 0.077 nan 8.190 nan 0.000 0.456 716 L N 6.030 127.262 121.223 0.015 0.000 2.453 716 L HA 0.275 4.615 4.340 -0.001 0.000 0.272 716 L C 0.259 176.972 176.870 -0.262 0.000 1.182 716 L CA 0.828 55.399 54.840 -0.448 0.000 0.858 716 L CB 0.534 42.300 42.059 -0.490 0.000 1.120 716 L HN 0.592 nan 8.230 nan 0.000 0.474 717 Q N 3.151 122.778 119.800 -0.288 0.000 2.226 717 Q HA 0.354 4.693 4.340 -0.001 0.000 0.256 717 Q C -0.293 175.599 176.000 -0.179 0.000 0.962 717 Q CA -0.409 55.299 55.803 -0.159 0.000 0.887 717 Q CB 1.715 30.394 28.738 -0.097 0.000 1.282 717 Q HN 0.798 nan 8.270 nan 0.000 0.449 718 S N 1.078 116.696 115.700 -0.136 0.000 2.655 718 S HA 0.461 4.930 4.470 -0.001 0.000 0.265 718 S C -0.219 174.275 174.600 -0.176 0.000 1.240 718 S CA -0.204 57.904 58.200 -0.154 0.000 0.986 718 S CB 0.609 63.738 63.200 -0.119 0.000 0.985 718 S HN 0.644 nan 8.310 nan 0.000 0.562 719 N N -1.129 117.435 118.700 -0.227 0.000 3.339 719 N HA 0.220 4.960 4.740 -0.001 0.000 0.275 719 N C -1.471 173.800 175.510 -0.398 0.000 1.514 719 N CA -0.178 52.690 53.050 -0.303 0.000 0.879 719 N CB 1.197 39.478 38.487 -0.344 0.000 1.557 719 N HN 0.774 nan 8.380 nan 0.000 0.524 720 T N -1.555 112.655 114.554 -0.573 0.000 2.903 720 T HA 0.222 4.571 4.350 -0.001 0.000 0.314 720 T C 1.571 175.909 174.700 -0.604 0.000 1.078 720 T CA 0.501 62.188 62.100 -0.687 0.000 1.114 720 T CB 0.372 68.564 68.868 -1.126 0.000 0.987 720 T HN 0.550 nan 8.240 nan 0.000 0.548 721 G N 1.459 109.992 108.800 -0.445 0.000 2.469 721 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.219 721 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.219 721 G C 1.362 176.147 174.900 -0.191 0.000 1.150 721 G CA 0.961 45.873 45.100 -0.314 0.000 0.763 721 G HN 1.009 nan 8.290 nan 0.000 0.561 722 W N 0.922 122.123 121.300 -0.166 0.000 2.418 722 W HA 0.265 4.925 4.660 -0.001 0.000 0.292 722 W C 2.196 178.659 176.519 -0.093 0.000 1.213 722 W CA 0.947 58.218 57.345 -0.123 0.000 1.283 722 W CB -0.861 28.505 29.460 -0.155 0.000 1.119 722 W HN 0.301 nan 8.180 nan 0.000 0.542 723 A N 1.943 124.142 122.820 -1.036 0.000 1.930 723 A HA -0.098 4.221 4.320 -0.001 0.000 0.217 723 A C 2.136 179.502 177.584 -0.362 0.000 1.175 723 A CA 1.966 53.414 52.037 -0.982 0.000 0.627 723 A CB -0.954 17.271 19.000 -1.291 0.000 0.815 723 A HN 0.350 nan 8.150 nan 0.000 0.443 724 I N -0.364 120.015 120.570 -0.318 0.000 2.315 724 I HA -0.150 4.019 4.170 -0.001 0.000 0.248 724 I C 2.667 178.758 176.117 -0.043 0.000 1.117 724 I CA 0.978 62.178 61.300 -0.168 0.000 1.404 724 I CB -0.611 37.272 38.000 -0.194 0.000 1.071 724 I HN 0.377 nan 8.210 nan 0.000 0.419 725 G N 0.027 108.835 108.800 0.014 0.000 2.418 725 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.217 725 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.217 725 G C 1.582 176.612 174.900 0.218 0.000 1.158 725 G CA 0.607 45.788 45.100 0.135 0.000 0.771 725 G HN 0.391 nan 8.290 nan 0.000 0.545 726 Q N -0.079 119.908 119.800 0.312 0.000 2.124 726 Q HA -0.079 4.261 4.340 -0.001 0.000 0.202 726 Q C 2.719 178.767 176.000 0.080 0.000 0.977 726 Q CA 1.068 57.078 55.803 0.345 0.000 0.850 726 Q CB -0.060 28.996 28.738 0.529 0.000 0.901 726 Q HN 0.441 nan 8.270 nan 0.000 0.429 727 R N -0.170 120.368 120.500 0.064 0.000 2.115 727 R HA -0.077 4.263 4.340 -0.001 0.000 0.230 727 R C 2.250 178.627 176.300 0.129 0.000 1.111 727 R CA 1.357 57.502 56.100 0.075 0.000 0.976 727 R CB -0.188 30.178 30.300 0.110 0.000 0.870 727 R HN 0.340 nan 8.270 nan 0.000 0.445 728 I N 0.969 121.579 120.570 0.066 0.000 2.142 728 I HA -0.298 3.871 4.170 -0.001 0.000 0.240 728 I C 1.927 178.019 176.117 -0.041 0.000 1.078 728 I CA 1.228 62.562 61.300 0.057 0.000 1.343 728 I CB -0.405 37.620 38.000 0.043 0.000 1.046 728 I HN 0.218 nan 8.210 nan 0.000 0.405 729 N N 0.551 119.099 118.700 -0.254 0.000 2.104 729 N HA -0.143 4.597 4.740 -0.001 0.000 0.190 729 N C 2.021 177.161 175.510 -0.617 0.000 1.024 729 N CA 1.748 54.378 53.050 -0.701 0.000 0.853 729 N CB -0.144 37.347 38.487 -1.660 0.000 1.008 729 N HN 0.291 nan 8.380 nan 0.000 0.424 730 S N 0.155 115.613 115.700 -0.403 0.000 2.355 730 S HA -0.093 4.377 4.470 -0.001 0.000 0.222 730 S C 1.649 176.147 174.600 -0.170 0.000 1.031 730 S CA 0.747 58.815 58.200 -0.220 0.000 0.993 730 S CB -0.443 62.625 63.200 -0.221 0.000 0.859 730 S HN 0.465 nan 8.310 nan 0.000 0.453 731 W N 1.839 123.094 121.300 -0.076 0.000 2.363 731 W HA -0.051 4.609 4.660 -0.001 0.000 0.296 731 W C 2.726 179.218 176.519 -0.045 0.000 1.212 731 W CA 0.681 58.002 57.345 -0.040 0.000 1.260 731 W CB -0.399 29.044 29.460 -0.027 0.000 1.131 731 W HN 0.296 nan 8.180 nan 0.000 0.530 732 A N 0.315 123.217 122.820 0.136 0.000 1.902 732 A HA -0.185 4.134 4.320 -0.001 0.000 0.217 732 A C 2.019 179.644 177.584 0.069 0.000 1.181 732 A CA 1.293 53.375 52.037 0.075 0.000 0.623 732 A CB -0.558 18.454 19.000 0.021 0.000 0.818 732 A HN 0.105 nan 8.150 nan 0.000 0.443 733 R N -0.095 120.437 120.500 0.052 0.000 2.193 733 R HA -0.094 4.245 4.340 -0.001 0.000 0.229 733 R C 2.255 178.587 176.300 0.053 0.000 1.110 733 R CA 1.742 57.883 56.100 0.067 0.000 0.988 733 R CB -1.359 29.000 30.300 0.099 0.000 0.871 733 R HN 0.792 nan 8.270 nan 0.000 0.458 734 T N -3.321 111.268 114.554 0.058 0.000 3.035 734 T HA 0.056 4.406 4.350 -0.001 0.000 0.268 734 T C 1.507 176.264 174.700 0.095 0.000 1.109 734 T CA 1.187 63.330 62.100 0.071 0.000 1.119 734 T CB 0.156 69.091 68.868 0.113 0.000 0.900 734 T HN 0.392 nan 8.240 nan 0.000 0.503 735 G N 1.222 110.079 108.800 0.095 0.000 2.195 735 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.246 735 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.246 735 G C -0.061 174.879 174.900 0.066 0.000 0.984 735 G CA 0.119 45.261 45.100 0.069 0.000 0.633 735 G HN 0.717 nan 8.290 nan 0.000 0.525 736 D N 1.251 121.724 120.400 0.123 0.000 2.483 736 D HA 0.489 5.128 4.640 -0.001 0.000 0.220 736 D C 1.666 177.978 176.300 0.020 0.000 1.173 736 D CA 0.520 54.569 54.000 0.081 0.000 0.964 736 D CB 0.130 41.020 40.800 0.151 0.000 1.046 736 D HN 0.223 nan 8.370 nan 0.000 0.517 737 G N 3.520 112.300 108.800 -0.033 0.000 2.422 737 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.218 737 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.218 737 G C 1.527 176.352 174.900 -0.125 0.000 1.140 737 G CA 0.067 45.113 45.100 -0.090 0.000 0.775 737 G HN 0.387 nan 8.290 nan 0.000 0.545 738 N N 0.639 119.269 118.700 -0.116 0.000 2.120 738 N HA -0.086 4.654 4.740 -0.001 0.000 0.188 738 N C 2.355 177.789 175.510 -0.126 0.000 1.024 738 N CA 1.694 54.680 53.050 -0.108 0.000 0.852 738 N CB -0.694 37.734 38.487 -0.099 0.000 1.003 738 N HN 0.228 nan 8.380 nan 0.000 0.424 739 T N 0.297 114.709 114.554 -0.236 0.000 2.812 739 T HA -0.051 4.299 4.350 -0.001 0.000 0.264 739 T C 1.898 176.360 174.700 -0.397 0.000 1.042 739 T CA 1.446 63.286 62.100 -0.433 0.000 1.140 739 T CB -0.564 67.739 68.868 -0.941 0.000 0.870 739 T HN 0.277 nan 8.240 nan 0.000 0.445 740 T N 1.335 115.758 114.554 -0.219 0.000 2.665 740 T HA -0.186 4.164 4.350 -0.001 0.000 0.268 740 T C 1.636 176.275 174.700 -0.103 0.000 1.035 740 T CA 1.556 63.615 62.100 -0.069 0.000 1.151 740 T CB -0.581 68.299 68.868 0.021 0.000 0.862 740 T HN 0.484 nan 8.240 nan 0.000 0.438 741 Y N 1.835 121.988 120.300 -0.244 0.000 2.293 741 Y HA -0.109 4.441 4.550 -0.001 0.000 0.291 741 Y C 2.490 178.294 175.900 -0.161 0.000 1.137 741 Y CA 1.064 59.005 58.100 -0.265 0.000 1.202 741 Y CB -0.444 37.766 38.460 -0.417 0.000 0.990 741 Y HN 0.266 nan 8.280 nan 0.000 0.537 742 Q N -0.285 119.331 119.800 -0.307 0.000 2.135 742 Q HA -0.198 4.141 4.340 -0.001 0.000 0.204 742 Q C 2.167 177.974 176.000 -0.321 0.000 0.981 742 Q CA 1.894 57.504 55.803 -0.322 0.000 0.856 742 Q CB -0.233 28.390 28.738 -0.192 0.000 0.902 742 Q HN 0.485 nan 8.270 nan 0.000 0.425 743 L N -0.563 120.500 121.223 -0.266 0.000 2.072 743 L HA -0.163 4.177 4.340 -0.001 0.000 0.205 743 L C 2.297 179.070 176.870 -0.162 0.000 1.079 743 L CA 0.721 55.449 54.840 -0.187 0.000 0.752 743 L CB -0.434 41.571 42.059 -0.089 0.000 0.906 743 L HN 0.033 nan 8.230 nan 0.000 0.436 744 V N -0.039 119.776 119.914 -0.164 0.000 2.231 744 V HA -0.401 3.719 4.120 -0.001 0.000 0.250 744 V C 2.523 178.533 176.094 -0.140 0.000 1.058 744 V CA 2.350 64.590 62.300 -0.101 0.000 1.022 744 V CB -0.569 31.244 31.823 -0.016 0.000 0.640 744 V HN 0.553 nan 8.190 nan 0.000 0.445 745 E N -0.322 119.693 120.200 -0.309 0.000 2.058 745 E HA -0.287 4.062 4.350 -0.001 0.000 0.194 745 E C 2.172 178.744 176.600 -0.047 0.000 0.997 745 E CA 1.771 58.089 56.400 -0.136 0.000 0.801 745 E CB -0.208 29.264 29.700 -0.380 0.000 0.746 745 E HN 0.444 nan 8.360 nan 0.000 0.450 746 L N 1.302 122.442 121.223 -0.138 0.000 2.042 746 L HA -0.244 4.096 4.340 -0.001 0.000 0.210 746 L C 2.498 179.293 176.870 -0.124 0.000 1.076 746 L CA 2.033 56.798 54.840 -0.124 0.000 0.749 746 L CB -0.539 41.417 42.059 -0.172 0.000 0.893 746 L HN 0.238 nan 8.230 nan 0.000 0.432 747 Q N -1.191 118.529 119.800 -0.134 0.000 2.096 747 Q HA -0.228 4.112 4.340 -0.001 0.000 0.204 747 Q C 2.152 178.058 176.000 -0.156 0.000 0.982 747 Q CA 1.859 57.570 55.803 -0.153 0.000 0.850 747 Q CB -0.093 28.578 28.738 -0.111 0.000 0.901 747 Q HN 0.464 nan 8.270 nan 0.000 0.422 748 L N 0.729 121.874 121.223 -0.132 0.000 2.093 748 L HA -0.137 4.203 4.340 -0.001 0.000 0.208 748 L C 2.097 178.889 176.870 -0.130 0.000 1.085 748 L CA 1.688 56.406 54.840 -0.202 0.000 0.755 748 L CB -0.336 41.456 42.059 -0.446 0.000 0.904 748 L HN 0.083 nan 8.230 nan 0.000 0.435 749 K N -0.778 119.617 120.400 -0.007 0.000 2.155 749 K HA 0.015 4.335 4.320 -0.001 0.000 0.203 749 K C 1.135 177.736 176.600 0.001 0.000 1.052 749 K CA 0.982 57.308 56.287 0.065 0.000 0.948 749 K CB 0.039 32.601 32.500 0.103 0.000 0.728 749 K HN 0.336 nan 8.250 nan 0.000 0.448 750 N N -1.018 117.628 118.700 -0.090 0.000 2.171 750 N HA 0.111 4.850 4.740 -0.001 0.000 0.212 750 N C 0.022 175.282 175.510 -0.417 0.000 1.184 750 N CA 0.220 53.191 53.050 -0.130 0.000 0.888 750 N CB 1.854 40.263 38.487 -0.130 0.000 1.038 750 N HN 0.021 nan 8.380 nan 0.000 0.517 751 A N 0.174 122.658 122.820 -0.561 0.000 2.622 751 A HA 0.390 4.709 4.320 -0.001 0.000 0.283 751 A C -0.251 176.834 177.584 -0.831 0.000 0.998 751 A CA -0.143 51.233 52.037 -1.103 0.000 0.985 751 A CB 0.453 19.064 19.000 -0.649 0.000 1.236 751 A HN -0.049 nan 8.150 nan 0.000 0.559 752 M N 0.797 120.181 119.600 -0.360 0.000 2.259 752 M HA 0.464 4.944 4.480 -0.001 0.000 0.304 752 M C -1.169 175.243 176.300 0.185 0.000 1.019 752 M CA -0.602 54.662 55.300 -0.060 0.000 0.922 752 M CB 1.020 33.587 32.600 -0.055 0.000 1.600 752 M HN 0.238 nan 8.290 nan 0.000 0.433 753 Y N 0.734 121.194 120.300 0.267 0.000 2.240 753 Y HA 0.325 4.874 4.550 -0.001 0.000 0.341 753 Y C 1.664 177.549 175.900 -0.025 0.000 1.326 753 Y CA 0.065 58.216 58.100 0.085 0.000 1.569 753 Y CB 0.218 38.664 38.460 -0.024 0.000 1.426 753 Y HN 0.813 nan 8.280 nan 0.000 0.587 754 A N 0.845 123.725 122.820 0.100 0.000 2.019 754 A HA -0.225 4.094 4.320 -0.001 0.000 0.219 754 A C 1.574 179.134 177.584 -0.040 0.000 1.164 754 A CA 1.785 53.825 52.037 0.005 0.000 0.644 754 A CB -0.965 18.002 19.000 -0.055 0.000 0.805 754 A HN 0.791 nan 8.150 nan 0.000 0.449 755 N N -1.050 117.526 118.700 -0.206 0.000 2.383 755 N HA 0.137 4.877 4.740 -0.001 0.000 0.192 755 N C 0.220 175.544 175.510 -0.311 0.000 1.141 755 N CA 0.370 53.195 53.050 -0.375 0.000 0.851 755 N CB -0.004 38.049 38.487 -0.723 0.000 0.976 755 N HN 0.128 nan 8.380 nan 0.000 0.465 756 L N -1.311 119.850 121.223 -0.103 0.000 4.560 756 L HA -0.176 4.164 4.340 -0.001 0.000 0.415 756 L C -0.660 176.395 176.870 0.309 0.000 1.123 756 L CA 0.068 54.913 54.840 0.008 0.000 0.991 756 L CB -2.485 39.420 42.059 -0.256 0.000 2.127 756 L HN 0.104 nan 8.230 nan 0.000 0.765 757 F N 1.061 121.051 119.950 0.067 0.000 2.538 757 F HA 0.248 4.774 4.527 -0.001 0.000 0.371 757 F C 1.486 177.305 175.800 0.030 0.000 1.087 757 F CA -0.785 57.203 58.000 -0.020 0.000 1.250 757 F CB 0.301 39.101 39.000 -0.335 0.000 1.110 757 F HN 0.155 nan 8.300 nan 0.000 0.570 758 D N 3.099 123.644 120.400 0.243 0.000 2.399 758 D HA 0.193 4.832 4.640 -0.001 0.000 0.241 758 D C -1.000 175.350 176.300 0.085 0.000 1.133 758 D CA 0.216 54.248 54.000 0.053 0.000 0.890 758 D CB 0.362 41.165 40.800 0.006 0.000 1.201 758 D HN 0.364 nan 8.370 nan 0.000 0.432 759 Y N 0.914 121.090 120.300 -0.207 0.000 2.545 759 Y HA 0.350 4.899 4.550 -0.001 0.000 0.348 759 Y C 0.239 176.115 175.900 -0.040 0.000 1.002 759 Y CA -0.960 57.020 58.100 -0.200 0.000 1.039 759 Y CB 1.094 39.136 38.460 -0.696 0.000 1.271 759 Y HN 0.523 nan 8.280 nan 0.000 0.467 760 H N 2.349 121.557 119.070 0.230 0.000 2.399 760 H HA 0.381 4.936 4.556 -0.001 0.000 0.300 760 H C 0.275 175.747 175.328 0.241 0.000 1.048 760 H CA 1.128 57.291 56.048 0.191 0.000 1.370 760 H CB 0.076 30.018 29.762 0.301 0.000 1.428 760 H HN 0.878 nan 8.280 nan 0.000 0.534 761 A N 2.656 125.806 122.820 0.551 0.000 2.313 761 A HA 0.367 4.687 4.320 -0.001 0.000 0.261 761 A C -1.908 175.977 177.584 0.500 0.000 1.090 761 A CA -1.054 51.300 52.037 0.528 0.000 0.807 761 A CB 0.209 19.390 19.000 0.301 0.000 1.055 761 A HN 0.314 nan 8.150 nan 0.000 0.492 762 P HA 0.191 nan 4.420 nan 0.000 0.307 762 P C -0.016 177.505 177.300 0.368 0.000 1.306 762 P CA -0.568 62.700 63.100 0.279 0.000 0.742 762 P CB 0.151 31.951 31.700 0.167 0.000 1.349 763 F N 1.027 121.092 119.950 0.191 0.000 2.580 763 F HA -0.001 4.525 4.527 -0.001 0.000 0.398 763 F C -0.212 175.649 175.800 0.101 0.000 1.023 763 F CA 0.734 58.816 58.000 0.137 0.000 1.188 763 F CB -0.472 38.576 39.000 0.079 0.000 1.005 763 F HN 0.076 nan 8.300 nan 0.000 0.546 764 Q N 7.470 127.140 119.800 -0.218 0.000 2.285 764 Q HA 0.255 4.595 4.340 -0.001 0.000 0.269 764 Q C 0.757 176.515 176.000 -0.403 0.000 1.030 764 Q CA -0.430 55.106 55.803 -0.446 0.000 0.788 764 Q CB 2.020 30.712 28.738 -0.077 0.000 1.266 764 Q HN 0.974 nan 8.270 nan 0.000 0.438 765 I N 1.982 122.205 120.570 -0.578 0.000 2.761 765 I HA -0.223 3.947 4.170 -0.001 0.000 0.261 765 I C 1.078 177.030 176.117 -0.275 0.000 1.198 765 I CA 1.093 62.194 61.300 -0.333 0.000 1.482 765 I CB 0.404 38.232 38.000 -0.286 0.000 1.100 765 I HN 0.647 nan 8.210 nan 0.000 0.445 766 D N 0.718 121.025 120.400 -0.156 0.000 2.154 766 D HA -0.265 4.374 4.640 -0.001 0.000 0.190 766 D C 2.065 178.362 176.300 -0.006 0.000 1.003 766 D CA 1.690 55.655 54.000 -0.058 0.000 0.849 766 D CB -1.350 39.365 40.800 -0.141 0.000 0.942 766 D HN 0.352 nan 8.370 nan 0.000 0.446 767 G N -0.465 108.338 108.800 0.005 0.000 2.471 767 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.219 767 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.219 767 G C 1.536 176.437 174.900 0.002 0.000 1.125 767 G CA 0.665 45.788 45.100 0.038 0.000 0.775 767 G HN 0.345 nan 8.290 nan 0.000 0.548 768 N N -0.192 118.446 118.700 -0.103 0.000 2.120 768 N HA -0.052 4.688 4.740 -0.001 0.000 0.188 768 N C 1.664 177.115 175.510 -0.097 0.000 1.024 768 N CA 1.103 54.062 53.050 -0.153 0.000 0.852 768 N CB -0.194 38.074 38.487 -0.366 0.000 1.003 768 N HN 0.286 nan 8.380 nan 0.000 0.424 769 F N 0.192 120.143 119.950 0.002 0.000 2.293 769 F HA 0.200 4.726 4.527 -0.001 0.000 0.297 769 F C 2.456 178.310 175.800 0.091 0.000 1.089 769 F CA 0.493 58.484 58.000 -0.014 0.000 1.377 769 F CB -1.044 37.885 39.000 -0.118 0.000 1.051 769 F HN 0.025 nan 8.300 nan 0.000 0.511 770 G N -0.143 108.829 108.800 0.287 0.000 2.432 770 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.219 770 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.219 770 G C 1.755 176.824 174.900 0.282 0.000 1.135 770 G CA 0.909 46.225 45.100 0.360 0.000 0.767 770 G HN 0.335 nan 8.290 nan 0.000 0.550 771 N N 0.530 119.354 118.700 0.206 0.000 2.080 771 N HA -0.127 4.612 4.740 -0.001 0.000 0.189 771 N C 2.192 177.867 175.510 0.276 0.000 1.036 771 N CA 1.931 55.101 53.050 0.201 0.000 0.846 771 N CB -0.493 38.087 38.487 0.156 0.000 1.015 771 N HN 0.210 nan 8.380 nan 0.000 0.423 772 T N 0.105 114.801 114.554 0.238 0.000 2.635 772 T HA -0.163 4.187 4.350 -0.001 0.000 0.267 772 T C 2.032 176.940 174.700 0.346 0.000 1.040 772 T CA 1.795 64.020 62.100 0.209 0.000 1.156 772 T CB -0.652 68.193 68.868 -0.038 0.000 0.863 772 T HN 0.316 nan 8.240 nan 0.000 0.430 773 S N 0.540 116.429 115.700 0.315 0.000 2.359 773 S HA -0.093 4.377 4.470 -0.001 0.000 0.224 773 S C 2.394 177.151 174.600 0.262 0.000 1.035 773 S CA 1.818 60.219 58.200 0.335 0.000 1.018 773 S CB -0.958 62.523 63.200 0.468 0.000 0.876 773 S HN 0.614 nan 8.310 nan 0.000 0.448 774 G N 0.533 109.460 108.800 0.213 0.000 2.422 774 G HA2 -0.128 3.831 3.960 -0.001 0.000 0.218 774 G HA3 -0.128 3.831 3.960 -0.001 0.000 0.218 774 G C 1.483 176.493 174.900 0.184 0.000 1.146 774 G CA 1.087 46.257 45.100 0.117 0.000 0.769 774 G HN 0.484 nan 8.290 nan 0.000 0.547 775 V N 1.235 121.326 119.914 0.295 0.000 2.358 775 V HA -0.131 3.989 4.120 -0.001 0.000 0.246 775 V C 2.571 178.816 176.094 0.251 0.000 1.047 775 V CA 2.072 64.566 62.300 0.323 0.000 1.035 775 V CB -0.420 31.620 31.823 0.361 0.000 0.658 775 V HN 0.239 nan 8.190 nan 0.000 0.452 776 D N -0.000 120.584 120.400 0.306 0.000 2.104 776 D HA -0.158 4.481 4.640 -0.001 0.000 0.194 776 D C 2.251 178.662 176.300 0.185 0.000 0.994 776 D CA 1.174 55.326 54.000 0.252 0.000 0.830 776 D CB -0.217 40.763 40.800 0.300 0.000 0.959 776 D HN 0.406 nan 8.370 nan 0.000 0.452 777 E N -0.174 120.132 120.200 0.177 0.000 2.268 777 E HA -0.076 4.273 4.350 -0.001 0.000 0.195 777 E C 2.172 178.823 176.600 0.086 0.000 0.995 777 E CA 0.330 56.809 56.400 0.132 0.000 0.836 777 E CB -0.195 29.570 29.700 0.108 0.000 0.763 777 E HN 0.445 nan 8.360 nan 0.000 0.491 778 M N -0.108 119.547 119.600 0.091 0.000 2.132 778 M HA -0.102 4.378 4.480 -0.001 0.000 0.263 778 M C 2.125 178.430 176.300 0.008 0.000 1.065 778 M CA 1.305 56.635 55.300 0.050 0.000 1.122 778 M CB -0.087 32.562 32.600 0.082 0.000 1.365 778 M HN 0.038 nan 8.290 nan 0.000 0.411 779 L N -1.091 120.152 121.223 0.034 0.000 2.463 779 L HA 0.237 4.577 4.340 -0.001 0.000 0.219 779 L C -0.058 176.804 176.870 -0.012 0.000 1.088 779 L CA -0.126 54.690 54.840 -0.039 0.000 0.849 779 L CB 0.316 42.374 42.059 -0.002 0.000 1.012 779 L HN 0.216 nan 8.230 nan 0.000 0.468 780 L N -0.180 121.068 121.223 0.043 0.000 2.526 780 L HA 0.424 4.764 4.340 -0.001 0.000 0.263 780 L C -1.390 175.519 176.870 0.066 0.000 0.943 780 L CA -0.107 54.764 54.840 0.052 0.000 0.859 780 L CB 2.021 44.135 42.059 0.090 0.000 1.313 780 L HN -0.040 nan 8.230 nan 0.000 0.406 781 Q N 1.663 121.476 119.800 0.022 0.000 2.387 781 Q HA 0.770 5.110 4.340 -0.001 0.000 0.273 781 Q C -0.438 175.506 176.000 -0.092 0.000 1.089 781 Q CA -0.113 55.691 55.803 0.001 0.000 0.824 781 Q CB 2.304 31.037 28.738 -0.009 0.000 1.367 781 Q HN 0.712 nan 8.270 nan 0.000 0.443 782 S N -1.088 114.539 115.700 -0.122 0.000 3.051 782 S HA 0.041 4.511 4.470 -0.001 0.000 0.250 782 S C 0.191 174.640 174.600 -0.252 0.000 0.906 782 S CA -0.444 57.622 58.200 -0.224 0.000 1.234 782 S CB -0.124 62.981 63.200 -0.160 0.000 1.175 782 S HN 0.761 nan 8.310 nan 0.000 0.635 783 N N 1.010 119.589 118.700 -0.202 0.000 2.325 783 N HA 0.118 4.858 4.740 -0.001 0.000 0.182 783 N C 0.397 175.841 175.510 -0.110 0.000 1.088 783 N CA -0.011 52.960 53.050 -0.131 0.000 0.879 783 N CB 0.370 38.821 38.487 -0.060 0.000 0.983 783 N HN 0.305 nan 8.380 nan 0.000 0.471 784 S N -0.187 115.384 115.700 -0.214 0.000 2.693 784 S HA 0.442 4.912 4.470 -0.001 0.000 0.276 784 S C -0.536 174.114 174.600 0.084 0.000 1.192 784 S CA -0.178 57.981 58.200 -0.069 0.000 0.994 784 S CB 0.982 64.168 63.200 -0.024 0.000 1.012 784 S HN 0.240 nan 8.310 nan 0.000 0.550 785 T N 2.652 117.373 114.554 0.279 0.000 2.792 785 T HA 0.408 4.757 4.350 -0.001 0.000 0.280 785 T C -1.020 173.959 174.700 0.465 0.000 0.990 785 T CA -0.202 62.124 62.100 0.377 0.000 0.960 785 T CB 0.394 69.393 68.868 0.219 0.000 0.939 785 T HN 0.462 nan 8.240 nan 0.000 0.439 786 F N 2.747 122.900 119.950 0.338 0.000 2.385 786 F HA 0.515 5.042 4.527 -0.001 0.000 0.336 786 F C 0.237 176.138 175.800 0.168 0.000 1.100 786 F CA -0.177 57.862 58.000 0.065 0.000 1.116 786 F CB 1.079 39.851 39.000 -0.379 0.000 1.166 786 F HN 0.375 nan 8.300 nan 0.000 0.511 787 T N 5.109 119.579 114.554 -0.140 0.000 2.847 787 T HA 0.227 4.577 4.350 -0.001 0.000 0.291 787 T C -0.895 173.754 174.700 -0.086 0.000 0.998 787 T CA -0.836 61.265 62.100 0.002 0.000 0.967 787 T CB 0.787 69.622 68.868 -0.055 0.000 0.954 787 T HN 0.603 nan 8.240 nan 0.000 0.441 788 D N 1.394 121.937 120.400 0.237 0.000 2.414 788 D HA 0.113 4.753 4.640 -0.001 0.000 0.251 788 D C 1.576 177.920 176.300 0.074 0.000 1.252 788 D CA -0.447 53.682 54.000 0.216 0.000 0.999 788 D CB 0.229 41.271 40.800 0.403 0.000 1.093 788 D HN 0.424 nan 8.370 nan 0.000 0.515 789 T N -3.728 110.863 114.554 0.062 0.000 3.007 789 T HA 0.033 4.382 4.350 -0.001 0.000 0.270 789 T C 1.681 176.401 174.700 0.032 0.000 1.107 789 T CA 0.670 62.785 62.100 0.024 0.000 1.118 789 T CB -0.505 68.376 68.868 0.020 0.000 0.889 789 T HN 0.518 nan 8.240 nan 0.000 0.506 790 A N 0.801 123.656 122.820 0.058 0.000 2.208 790 A HA 0.575 4.895 4.320 -0.001 0.000 0.209 790 A C 2.118 179.722 177.584 0.034 0.000 1.161 790 A CA 0.632 52.697 52.037 0.046 0.000 0.782 790 A CB -0.997 18.039 19.000 0.061 0.000 0.816 790 A HN 1.268 nan 8.150 nan 0.000 0.477 791 G N -0.798 108.023 108.800 0.035 0.000 2.175 791 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.244 791 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.244 791 G C 0.257 175.162 174.900 0.009 0.000 0.982 791 G CA 0.454 45.563 45.100 0.016 0.000 0.641 791 G HN 0.740 nan 8.290 nan 0.000 0.527 792 K N 0.910 121.325 120.400 0.025 0.000 2.270 792 K HA 0.486 4.806 4.320 -0.001 0.000 0.276 792 K C 0.080 176.594 176.600 -0.143 0.000 1.023 792 K CA -0.428 55.810 56.287 -0.081 0.000 0.955 792 K CB 0.360 32.808 32.500 -0.086 0.000 0.975 792 K HN -0.053 nan 8.250 nan 0.000 0.471 793 K N 3.550 123.782 120.400 -0.281 0.000 2.159 793 K HA 0.218 4.537 4.320 -0.001 0.000 0.266 793 K C -1.159 175.183 176.600 -0.430 0.000 0.975 793 K CA -0.446 55.733 56.287 -0.179 0.000 0.865 793 K CB 1.162 33.624 32.500 -0.063 0.000 1.087 793 K HN 0.517 nan 8.250 nan 0.000 0.446 794 Y N 0.727 121.117 120.300 0.151 0.000 2.526 794 Y HA 0.222 4.771 4.550 -0.001 0.000 0.328 794 Y C 0.032 176.060 175.900 0.213 0.000 0.995 794 Y CA -1.019 57.161 58.100 0.134 0.000 1.304 794 Y CB 1.251 39.749 38.460 0.063 0.000 1.096 794 Y HN 0.079 nan 8.280 nan 0.000 0.499 795 V N 3.803 123.848 119.914 0.218 0.000 2.498 795 V HA 0.123 4.243 4.120 -0.001 0.000 0.279 795 V C 0.125 176.305 176.094 0.144 0.000 1.048 795 V CA -0.595 61.812 62.300 0.178 0.000 0.967 795 V CB 0.803 32.687 31.823 0.101 0.000 0.988 795 V HN 0.931 nan 8.190 nan 0.000 0.473 796 N N 2.466 121.217 118.700 0.084 0.000 2.758 796 N HA -0.195 4.544 4.740 -0.001 0.000 0.248 796 N C -0.422 175.057 175.510 -0.052 0.000 1.076 796 N CA 0.933 53.953 53.050 -0.050 0.000 0.696 796 N CB -1.451 36.998 38.487 -0.064 0.000 0.979 796 N HN 0.881 nan 8.380 nan 0.000 0.550 797 Y N -1.550 118.753 120.300 0.005 0.000 2.457 797 Y HA 0.447 4.996 4.550 -0.001 0.000 0.341 797 Y C 0.796 176.633 175.900 -0.104 0.000 1.240 797 Y CA -0.601 57.455 58.100 -0.072 0.000 1.437 797 Y CB 0.454 38.869 38.460 -0.075 0.000 1.328 797 Y HN 0.042 nan 8.280 nan 0.000 0.588 798 T N 4.110 118.628 114.554 -0.060 0.000 2.749 798 T HA 0.116 4.465 4.350 -0.001 0.000 0.295 798 T C -0.451 174.249 174.700 0.000 0.000 0.936 798 T CA -0.539 61.488 62.100 -0.121 0.000 1.060 798 T CB -0.207 68.520 68.868 -0.236 0.000 0.904 798 T HN 0.599 nan 8.240 nan 0.000 0.500 799 N N 4.093 122.768 118.700 -0.041 0.000 2.511 799 N HA 0.221 4.961 4.740 -0.001 0.000 0.249 799 N C -0.740 174.770 175.510 0.001 0.000 0.971 799 N CA -0.748 52.327 53.050 0.042 0.000 0.938 799 N CB 0.350 38.854 38.487 0.027 0.000 1.131 799 N HN 0.387 nan 8.380 nan 0.000 0.505 800 I N 4.642 125.202 120.570 -0.016 0.000 2.416 800 I HA 0.188 4.357 4.170 -0.001 0.000 0.288 800 I C 0.992 177.069 176.117 -0.067 0.000 1.051 800 I CA -0.360 60.913 61.300 -0.045 0.000 1.375 800 I CB 0.126 38.081 38.000 -0.075 0.000 1.407 800 I HN 0.584 nan 8.210 nan 0.000 0.516 801 L N 7.406 128.571 121.223 -0.097 0.000 3.713 801 L HA -0.183 4.157 4.340 -0.001 0.000 0.499 801 L C -1.467 175.340 176.870 -0.105 0.000 1.281 801 L CA -0.308 54.429 54.840 -0.171 0.000 0.796 801 L CB -1.071 40.825 42.059 -0.273 0.000 1.535 801 L HN 0.522 nan 8.230 nan 0.000 0.851 802 P HA -0.028 nan 4.420 nan 0.000 0.227 802 P C 0.690 177.981 177.300 -0.016 0.000 1.161 802 P CA 1.621 64.714 63.100 -0.011 0.000 0.788 802 P CB 0.429 32.139 31.700 0.018 0.000 0.822 803 A N -0.005 122.791 122.820 -0.040 0.000 3.365 803 A HA 0.394 4.714 4.320 -0.001 0.000 0.258 803 A C -0.579 176.943 177.584 -0.103 0.000 0.964 803 A CA -0.421 51.591 52.037 -0.041 0.000 0.988 803 A CB -0.637 18.365 19.000 0.003 0.000 1.193 803 A HN 0.099 nan 8.150 nan 0.000 0.508 804 L N 2.434 123.570 121.223 -0.145 0.000 2.313 804 L HA 0.527 4.867 4.340 -0.001 0.000 0.282 804 L C -2.254 174.493 176.870 -0.205 0.000 1.092 804 L CA -1.456 53.258 54.840 -0.211 0.000 0.831 804 L CB 0.454 42.328 42.059 -0.308 0.000 1.159 804 L HN 0.233 nan 8.230 nan 0.000 0.442 805 P HA 0.183 nan 4.420 nan 0.000 0.278 805 P C -0.452 176.694 177.300 -0.257 0.000 1.238 805 P CA -0.285 62.593 63.100 -0.370 0.000 0.794 805 P CB 0.837 32.084 31.700 -0.754 0.000 0.955 806 D N 1.842 122.132 120.400 -0.184 0.000 2.221 806 D HA -0.136 4.503 4.640 -0.001 0.000 0.204 806 D C 1.928 178.163 176.300 -0.109 0.000 0.982 806 D CA 1.527 55.469 54.000 -0.097 0.000 0.857 806 D CB -0.614 40.143 40.800 -0.072 0.000 0.934 806 D HN 0.431 nan 8.370 nan 0.000 0.475 807 A N 0.186 122.830 122.820 -0.292 0.000 2.076 807 A HA -0.153 4.167 4.320 -0.001 0.000 0.220 807 A C 0.438 178.041 177.584 0.031 0.000 1.160 807 A CA 0.706 52.562 52.037 -0.301 0.000 0.653 807 A CB -0.407 18.065 19.000 -0.881 0.000 0.801 807 A HN 0.181 nan 8.150 nan 0.000 0.455 808 W N -0.754 120.478 121.300 -0.113 0.000 2.101 808 W HA 0.675 5.335 4.660 -0.001 0.000 0.301 808 W C 1.036 177.719 176.519 0.274 0.000 0.846 808 W CA -1.253 56.144 57.345 0.085 0.000 1.823 808 W CB -0.806 28.761 29.460 0.178 0.000 2.007 808 W HN 0.329 nan 8.180 nan 0.000 0.373 809 A N 1.100 124.126 122.820 0.344 0.000 1.968 809 A HA 0.348 4.667 4.320 -0.001 0.000 0.217 809 A C 1.222 178.996 177.584 0.317 0.000 1.169 809 A CA 1.403 53.609 52.037 0.282 0.000 0.638 809 A CB -0.142 18.939 19.000 0.136 0.000 0.812 809 A HN 0.360 nan 8.150 nan 0.000 0.446 810 G N -3.136 105.722 108.800 0.097 0.000 2.619 810 G HA2 0.628 4.588 3.960 -0.001 0.000 0.296 810 G HA3 0.628 4.588 3.960 -0.001 0.000 0.296 810 G C -0.376 174.037 174.900 -0.810 0.000 1.334 810 G CA -0.079 44.791 45.100 -0.383 0.000 0.934 810 G HN 1.181 nan 8.290 nan 0.000 0.476 811 G N -0.911 106.927 108.800 -1.604 0.000 2.325 811 G HA2 0.733 4.693 3.960 -0.001 0.000 0.295 811 G HA3 0.733 4.693 3.960 -0.001 0.000 0.295 811 G C -0.801 173.201 174.900 -1.496 0.000 1.274 811 G CA 0.611 44.859 45.100 -1.419 0.000 0.857 811 G HN 1.998 nan 8.290 nan 0.000 0.499 812 S N -2.240 112.940 115.700 -0.867 0.000 2.547 812 S HA 0.826 5.296 4.470 -0.001 0.000 0.270 812 S C -1.602 172.963 174.600 -0.058 0.000 1.150 812 S CA -0.258 57.747 58.200 -0.325 0.000 0.850 812 S CB 1.764 64.850 63.200 -0.190 0.000 1.118 812 S HN 2.146 nan 8.310 nan 0.000 0.461 813 V N 1.428 121.417 119.914 0.125 0.000 3.012 813 V HA 0.917 5.037 4.120 -0.001 0.000 0.307 813 V C -1.121 175.032 176.094 0.098 0.000 1.166 813 V CA 0.261 62.622 62.300 0.101 0.000 0.974 813 V CB 2.162 34.071 31.823 0.144 0.000 1.040 813 V HN 1.709 nan 8.190 nan 0.000 0.428 814 S N 3.265 119.009 115.700 0.073 0.000 2.549 814 S HA 0.841 5.311 4.470 -0.001 0.000 0.280 814 S C 0.429 175.080 174.600 0.084 0.000 1.109 814 S CA 0.166 58.413 58.200 0.079 0.000 0.905 814 S CB 1.687 64.921 63.200 0.057 0.000 1.081 814 S HN 2.632 nan 8.310 nan 0.000 0.477 815 G N 0.889 109.746 108.800 0.095 0.000 2.157 815 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.239 815 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.239 815 G C -0.072 174.897 174.900 0.115 0.000 0.982 815 G CA -0.004 45.153 45.100 0.094 0.000 0.650 815 G HN 0.854 nan 8.290 nan 0.000 0.527 816 L N 0.274 121.579 121.223 0.136 0.000 2.473 816 L HA 0.490 4.829 4.340 -0.001 0.000 0.268 816 L C 0.745 177.723 176.870 0.180 0.000 1.215 816 L CA -0.386 54.551 54.840 0.163 0.000 0.823 816 L CB 0.940 43.100 42.059 0.168 0.000 1.099 816 L HN -0.033 nan 8.230 nan 0.000 0.483 817 V N 1.138 121.182 119.914 0.218 0.000 2.495 817 V HA 0.622 4.741 4.120 -0.001 0.000 0.298 817 V C 0.186 176.521 176.094 0.401 0.000 1.031 817 V CA -0.658 61.810 62.300 0.280 0.000 0.871 817 V CB 1.585 33.564 31.823 0.260 0.000 0.988 817 V HN 0.886 nan 8.190 nan 0.000 0.432 818 A N 4.555 127.567 122.820 0.321 0.000 2.312 818 A HA 0.739 5.059 4.320 -0.001 0.000 0.328 818 A C 0.222 177.833 177.584 0.045 0.000 1.158 818 A CA -0.736 51.420 52.037 0.199 0.000 0.821 818 A CB 0.574 19.671 19.000 0.161 0.000 1.170 818 A HN 0.865 nan 8.150 nan 0.000 0.490 819 R N 0.157 120.440 120.500 -0.362 0.000 2.697 819 R HA 0.311 4.651 4.340 -0.001 0.000 0.265 819 R C 1.318 177.559 176.300 -0.098 0.000 1.009 819 R CA 1.559 57.372 56.100 -0.479 0.000 1.099 819 R CB 0.118 30.078 30.300 -0.567 0.000 0.965 819 R HN 1.616 nan 8.270 nan 0.000 0.428 820 G N 1.464 110.155 108.800 -0.181 0.000 2.195 820 G HA2 -0.383 3.577 3.960 -0.001 0.000 0.246 820 G HA3 -0.383 3.577 3.960 -0.001 0.000 0.246 820 G C 0.199 174.853 174.900 -0.410 0.000 0.984 820 G CA 0.161 45.167 45.100 -0.158 0.000 0.633 820 G HN 0.915 nan 8.290 nan 0.000 0.525 821 N N -1.415 117.130 118.700 -0.258 0.000 2.729 821 N HA -0.135 4.604 4.740 -0.001 0.000 0.259 821 N C -0.657 174.605 175.510 -0.413 0.000 1.119 821 N CA 0.507 53.411 53.050 -0.243 0.000 0.679 821 N CB -1.125 37.219 38.487 -0.239 0.000 0.892 821 N HN 0.505 nan 8.380 nan 0.000 0.558 822 F N 0.419 120.390 119.950 0.034 0.000 2.507 822 F HA 0.384 4.911 4.527 -0.001 0.000 0.325 822 F C 0.755 176.607 175.800 0.086 0.000 1.116 822 F CA -0.533 57.501 58.000 0.057 0.000 0.930 822 F CB 1.917 40.939 39.000 0.037 0.000 1.146 822 F HN -0.143 nan 8.300 nan 0.000 0.447 823 T N 3.213 117.920 114.554 0.254 0.000 2.845 823 T HA 0.599 4.948 4.350 -0.001 0.000 0.288 823 T C -0.461 174.359 174.700 0.200 0.000 0.980 823 T CA -0.521 61.697 62.100 0.196 0.000 1.071 823 T CB 1.301 70.254 68.868 0.141 0.000 0.941 823 T HN 0.285 nan 8.240 nan 0.000 0.487 824 V N 2.091 122.107 119.914 0.170 0.000 2.531 824 V HA 0.786 4.905 4.120 -0.001 0.000 0.301 824 V C 0.425 176.596 176.094 0.128 0.000 1.034 824 V CA -0.850 61.538 62.300 0.147 0.000 0.865 824 V CB 1.940 33.841 31.823 0.131 0.000 0.995 824 V HN 1.053 nan 8.190 nan 0.000 0.424 825 G N 1.300 110.172 108.800 0.119 0.000 2.495 825 G HA2 0.686 4.645 3.960 -0.001 0.000 0.318 825 G HA3 0.686 4.645 3.960 -0.001 0.000 0.318 825 G C -0.920 174.055 174.900 0.126 0.000 1.257 825 G CA -0.591 44.578 45.100 0.115 0.000 0.962 825 G HN 0.687 nan 8.290 nan 0.000 0.483 826 T N -0.195 114.457 114.554 0.164 0.000 2.956 826 T HA 0.681 5.031 4.350 -0.001 0.000 0.312 826 T C -0.783 174.093 174.700 0.293 0.000 1.151 826 T CA -0.323 61.902 62.100 0.207 0.000 1.024 826 T CB 1.719 70.703 68.868 0.192 0.000 1.140 826 T HN 0.475 nan 8.240 nan 0.000 0.473 827 T N 4.459 119.163 114.554 0.250 0.000 2.829 827 T HA 0.741 5.091 4.350 -0.001 0.000 0.280 827 T C -1.173 173.714 174.700 0.312 0.000 0.999 827 T CA -0.616 61.580 62.100 0.160 0.000 0.983 827 T CB 0.617 69.502 68.868 0.029 0.000 0.968 827 T HN 0.707 nan 8.240 nan 0.000 0.446 828 W N 1.312 122.633 121.300 0.035 0.000 3.031 828 W HA 0.853 5.513 4.660 -0.001 0.000 0.337 828 W C -1.454 175.088 176.519 0.039 0.000 1.187 828 W CA -1.015 56.360 57.345 0.050 0.000 1.166 828 W CB 1.324 30.819 29.460 0.058 0.000 1.437 828 W HN 0.198 nan 8.180 nan 0.000 0.551 829 K N 1.753 122.267 120.400 0.190 0.000 2.523 829 K HA 0.241 4.561 4.320 -0.001 0.000 0.257 829 K C -0.712 175.980 176.600 0.154 0.000 0.932 829 K CA -1.231 55.100 56.287 0.074 0.000 0.812 829 K CB 1.647 34.158 32.500 0.019 0.000 1.326 829 K HN 0.845 nan 8.250 nan 0.000 0.433 830 N N 0.759 119.533 118.700 0.123 0.000 2.721 830 N HA -0.250 4.489 4.740 -0.001 0.000 0.249 830 N C 0.571 176.171 175.510 0.150 0.000 1.072 830 N CA 1.028 54.145 53.050 0.112 0.000 0.710 830 N CB -0.964 37.565 38.487 0.070 0.000 0.993 830 N HN 1.063 nan 8.380 nan 0.000 0.547 831 G N -1.380 107.568 108.800 0.246 0.000 2.155 831 G HA2 -0.371 3.588 3.960 -0.001 0.000 0.257 831 G HA3 -0.371 3.588 3.960 -0.001 0.000 0.257 831 G C -0.142 174.855 174.900 0.162 0.000 0.983 831 G CA 0.925 46.147 45.100 0.202 0.000 0.676 831 G HN 0.527 nan 8.290 nan 0.000 0.528 832 K N -0.290 120.247 120.400 0.228 0.000 2.464 832 K HA 0.700 5.019 4.320 -0.001 0.000 0.253 832 K C 0.173 176.947 176.600 0.290 0.000 0.933 832 K CA -0.382 56.026 56.287 0.202 0.000 0.801 832 K CB 2.195 34.795 32.500 0.167 0.000 1.271 832 K HN 0.618 nan 8.250 nan 0.000 0.430 833 A N 1.169 124.153 122.820 0.273 0.000 2.520 833 A HA 0.086 4.405 4.320 -0.001 0.000 0.245 833 A C 1.080 178.877 177.584 0.355 0.000 1.072 833 A CA 0.413 52.630 52.037 0.300 0.000 0.761 833 A CB -0.188 18.889 19.000 0.129 0.000 1.004 833 A HN 0.871 nan 8.150 nan 0.000 0.499 834 T N -0.550 114.173 114.554 0.282 0.000 3.015 834 T HA 0.285 4.635 4.350 -0.001 0.000 0.250 834 T C 0.396 175.224 174.700 0.213 0.000 1.057 834 T CA 0.734 62.964 62.100 0.215 0.000 1.066 834 T CB 0.032 68.974 68.868 0.122 0.000 0.959 834 T HN 0.754 nan 8.240 nan 0.000 0.488 835 E N 0.162 120.480 120.200 0.197 0.000 2.354 835 E HA 0.529 4.878 4.350 -0.001 0.000 0.283 835 E C -2.164 174.512 176.600 0.127 0.000 0.938 835 E CA -0.724 55.767 56.400 0.151 0.000 0.777 835 E CB 2.705 32.467 29.700 0.102 0.000 1.222 835 E HN 0.070 nan 8.360 nan 0.000 0.423 836 V N 3.813 123.785 119.914 0.096 0.000 2.604 836 V HA 0.551 4.670 4.120 -0.001 0.000 0.305 836 V C -0.473 175.678 176.094 0.094 0.000 1.043 836 V CA -0.735 61.611 62.300 0.076 0.000 0.888 836 V CB 1.848 33.682 31.823 0.019 0.000 0.995 836 V HN 0.598 nan 8.190 nan 0.000 0.429 837 R N 3.701 124.263 120.500 0.104 0.000 2.337 837 R HA 0.597 4.936 4.340 -0.001 0.000 0.319 837 R C -1.298 175.093 176.300 0.151 0.000 0.954 837 R CA -0.641 55.529 56.100 0.116 0.000 0.840 837 R CB 1.803 32.158 30.300 0.092 0.000 1.164 837 R HN 0.551 nan 8.270 nan 0.000 0.472 838 L N 2.567 123.919 121.223 0.215 0.000 2.294 838 L HA 0.371 4.711 4.340 -0.001 0.000 0.283 838 L C -0.745 176.350 176.870 0.375 0.000 1.015 838 L CA 0.064 55.071 54.840 0.278 0.000 0.831 838 L CB 1.925 44.147 42.059 0.272 0.000 1.217 838 L HN 0.479 nan 8.230 nan 0.000 0.420 839 T N 2.871 117.613 114.554 0.313 0.000 2.733 839 T HA 0.209 4.559 4.350 -0.001 0.000 0.294 839 T C 0.054 174.958 174.700 0.341 0.000 0.956 839 T CA -0.204 62.062 62.100 0.276 0.000 0.987 839 T CB 0.945 69.909 68.868 0.160 0.000 0.920 839 T HN 0.579 nan 8.240 nan 0.000 0.470 840 S N 2.914 118.846 115.700 0.387 0.000 2.422 840 S HA 0.157 4.626 4.470 -0.001 0.000 0.283 840 S C 1.004 175.618 174.600 0.024 0.000 1.163 840 S CA -0.694 57.633 58.200 0.212 0.000 1.054 840 S CB -0.238 63.169 63.200 0.346 0.000 0.967 840 S HN 0.655 nan 8.310 nan 0.000 0.499 841 N N 3.594 122.222 118.700 -0.121 0.000 2.424 841 N HA 0.125 4.864 4.740 -0.001 0.000 0.178 841 N C 1.015 176.459 175.510 -0.110 0.000 1.060 841 N CA 0.195 53.196 53.050 -0.082 0.000 0.901 841 N CB 0.244 38.691 38.487 -0.068 0.000 0.979 841 N HN 0.409 nan 8.380 nan 0.000 0.451 842 K N -0.633 119.649 120.400 -0.198 0.000 2.477 842 K HA 0.251 4.571 4.320 -0.001 0.000 0.208 842 K C 0.657 177.192 176.600 -0.108 0.000 1.117 842 K CA 0.226 56.423 56.287 -0.149 0.000 1.039 842 K CB 1.529 33.916 32.500 -0.188 0.000 0.937 842 K HN 0.155 nan 8.250 nan 0.000 0.570 843 G N 2.521 111.269 108.800 -0.087 0.000 2.159 843 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.256 843 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.256 843 G C 0.103 174.997 174.900 -0.011 0.000 0.977 843 G CA 0.493 45.589 45.100 -0.006 0.000 0.652 843 G HN 0.285 nan 8.290 nan 0.000 0.531 844 K N 0.716 121.067 120.400 -0.082 0.000 2.382 844 K HA 0.305 4.624 4.320 -0.001 0.000 0.275 844 K C 0.874 177.559 176.600 0.143 0.000 1.009 844 K CA -0.348 55.938 56.287 -0.002 0.000 0.970 844 K CB 0.308 32.760 32.500 -0.080 0.000 0.934 844 K HN 0.360 nan 8.250 nan 0.000 0.479 845 Q N 2.040 121.886 119.800 0.077 0.000 2.286 845 Q HA 0.043 4.383 4.340 -0.001 0.000 0.290 845 Q C -0.901 175.057 176.000 -0.071 0.000 1.049 845 Q CA -0.227 55.568 55.803 -0.013 0.000 0.923 845 Q CB 0.709 29.437 28.738 -0.016 0.000 1.183 845 Q HN 0.641 nan 8.270 nan 0.000 0.383 846 A N 2.995 125.544 122.820 -0.453 0.000 2.340 846 A HA 0.649 4.969 4.320 -0.001 0.000 0.268 846 A C -0.738 176.439 177.584 -0.679 0.000 1.100 846 A CA 0.177 51.703 52.037 -0.852 0.000 0.803 846 A CB 0.858 18.860 19.000 -1.663 0.000 1.043 846 A HN 0.784 nan 8.150 nan 0.000 0.488 847 A N 1.956 124.460 122.820 -0.528 0.000 2.476 847 A HA 0.584 4.903 4.320 -0.001 0.000 0.280 847 A C -1.141 176.249 177.584 -0.323 0.000 1.081 847 A CA -0.314 51.495 52.037 -0.380 0.000 0.753 847 A CB 1.058 19.946 19.000 -0.188 0.000 1.248 847 A HN 1.157 nan 8.150 nan 0.000 0.424 848 V N 3.021 122.754 119.914 -0.302 0.000 2.443 848 V HA 0.405 4.524 4.120 -0.001 0.000 0.293 848 V C 0.103 176.075 176.094 -0.203 0.000 1.021 848 V CA -0.639 61.548 62.300 -0.189 0.000 0.848 848 V CB 1.603 33.360 31.823 -0.110 0.000 0.998 848 V HN 0.875 nan 8.190 nan 0.000 0.424 849 K N 4.700 125.029 120.400 -0.117 0.000 2.172 849 K HA 0.660 4.979 4.320 -0.001 0.000 0.276 849 K C -0.973 175.575 176.600 -0.086 0.000 1.013 849 K CA -0.591 55.621 56.287 -0.124 0.000 0.913 849 K CB 1.125 33.626 32.500 0.002 0.000 1.055 849 K HN 0.650 nan 8.250 nan 0.000 0.461 850 I N 4.502 124.998 120.570 -0.124 0.000 2.428 850 I HA 0.082 4.252 4.170 -0.001 0.000 0.279 850 I C 0.855 176.933 176.117 -0.064 0.000 1.040 850 I CA -0.418 60.790 61.300 -0.153 0.000 1.171 850 I CB 1.704 39.470 38.000 -0.390 0.000 1.312 850 I HN 0.756 nan 8.210 nan 0.000 0.470 851 T N 3.551 118.087 114.554 -0.030 0.000 2.777 851 T HA -0.064 4.286 4.350 -0.001 0.000 0.266 851 T C 1.243 175.942 174.700 -0.002 0.000 1.040 851 T CA 1.104 63.205 62.100 0.002 0.000 1.141 851 T CB 0.079 68.954 68.868 0.012 0.000 0.868 851 T HN 0.629 nan 8.240 nan 0.000 0.444 852 A N 0.638 123.443 122.820 -0.025 0.000 3.004 852 A HA 0.623 4.942 4.320 -0.001 0.000 0.286 852 A C 1.307 178.932 177.584 0.069 0.000 1.632 852 A CA 0.193 52.229 52.037 -0.000 0.000 1.339 852 A CB -0.906 18.061 19.000 -0.055 0.000 1.136 852 A HN 0.563 nan 8.150 nan 0.000 0.577 853 G N -0.121 108.744 108.800 0.108 0.000 3.382 853 G HA2 0.418 4.377 3.960 -0.001 0.000 0.214 853 G HA3 0.418 4.377 3.960 -0.001 0.000 0.214 853 G C 0.910 175.972 174.900 0.270 0.000 1.025 853 G CA 0.609 45.853 45.100 0.240 0.000 0.869 853 G HN 2.413 nan 8.290 nan 0.000 0.458 854 G N 0.041 108.943 108.800 0.170 0.000 3.439 854 G HA2 0.373 4.333 3.960 -0.001 0.000 0.684 854 G HA3 0.373 4.333 3.960 -0.001 0.000 0.684 854 G C 0.944 175.963 174.900 0.198 0.000 1.005 854 G CA 0.806 45.985 45.100 0.131 0.000 0.837 854 G HN 1.793 nan 8.290 nan 0.000 0.470 855 A N 2.561 125.411 122.820 0.050 0.000 2.019 855 A HA -0.071 4.248 4.320 -0.001 0.000 0.219 855 A C 2.435 180.107 177.584 0.146 0.000 1.164 855 A CA 2.221 54.275 52.037 0.029 0.000 0.644 855 A CB -0.183 18.757 19.000 -0.100 0.000 0.805 855 A HN 1.561 nan 8.150 nan 0.000 0.449 856 Q N 0.593 120.448 119.800 0.091 0.000 2.368 856 Q HA -0.185 4.155 4.340 -0.001 0.000 0.210 856 Q C 0.598 176.647 176.000 0.082 0.000 0.982 856 Q CA 2.001 57.843 55.803 0.064 0.000 0.884 856 Q CB -0.947 27.810 28.738 0.032 0.000 0.933 856 Q HN 0.792 nan 8.270 nan 0.000 0.460 857 N N -0.822 117.963 118.700 0.140 0.000 2.383 857 N HA 0.129 4.868 4.740 -0.001 0.000 0.192 857 N C -0.716 174.697 175.510 -0.161 0.000 1.141 857 N CA -0.057 52.984 53.050 -0.014 0.000 0.851 857 N CB 0.224 38.660 38.487 -0.086 0.000 0.976 857 N HN 0.219 nan 8.380 nan 0.000 0.465 858 Y N 0.522 120.812 120.300 -0.017 0.000 2.598 858 Y HA 0.363 4.912 4.550 -0.001 0.000 0.340 858 Y C 0.029 175.909 175.900 -0.033 0.000 1.038 858 Y CA -1.351 56.738 58.100 -0.018 0.000 1.100 858 Y CB 1.364 39.818 38.460 -0.011 0.000 1.281 858 Y HN -0.047 nan 8.280 nan 0.000 0.488 859 E N 0.034 120.301 120.200 0.111 0.000 2.369 859 E HA 0.648 4.998 4.350 -0.001 0.000 0.270 859 E C -1.844 174.754 176.600 -0.004 0.000 0.909 859 E CA -1.217 55.198 56.400 0.025 0.000 0.775 859 E CB 2.721 32.418 29.700 -0.005 0.000 1.270 859 E HN 0.389 nan 8.360 nan 0.000 0.445 860 V N 0.540 120.395 119.914 -0.098 0.000 2.555 860 V HA 0.594 4.714 4.120 -0.001 0.000 0.302 860 V C -1.274 174.750 176.094 -0.117 0.000 1.038 860 V CA -0.470 61.729 62.300 -0.168 0.000 0.887 860 V CB 1.413 32.949 31.823 -0.480 0.000 0.991 860 V HN 0.705 nan 8.190 nan 0.000 0.434 861 K N 4.296 124.666 120.400 -0.051 0.000 2.385 861 K HA 0.511 4.831 4.320 -0.001 0.000 0.248 861 K C -0.975 175.630 176.600 0.009 0.000 0.955 861 K CA -0.827 55.450 56.287 -0.017 0.000 0.816 861 K CB 2.182 34.675 32.500 -0.013 0.000 1.250 861 K HN 0.826 nan 8.250 nan 0.000 0.434 868 N N 3.171 121.880 118.700 0.015 0.000 3.027 868 N HA 0.228 4.967 4.740 -0.001 0.000 0.309 868 N C 0.169 175.707 175.510 0.047 0.000 1.222 868 N CA 0.343 53.410 53.050 0.029 0.000 1.187 868 N CB 0.985 39.501 38.487 0.049 0.000 1.458 868 N HN 0.811 nan 8.380 nan 0.000 0.535 869 A N 1.883 124.708 122.820 0.010 0.000 2.289 869 A HA 0.287 4.607 4.320 -0.001 0.000 0.298 869 A C 0.537 178.146 177.584 0.043 0.000 1.208 869 A CA -0.752 51.317 52.037 0.052 0.000 0.845 869 A CB 0.619 19.586 19.000 -0.055 0.000 1.125 869 A HN 0.460 nan 8.150 nan 0.000 0.517 870 K N 1.377 121.811 120.400 0.056 0.000 2.098 870 K HA 0.684 5.004 4.320 -0.001 0.000 0.258 870 K C -1.109 175.480 176.600 -0.018 0.000 0.973 870 K CA -0.696 55.602 56.287 0.019 0.000 0.898 870 K CB 1.538 34.053 32.500 0.025 0.000 1.057 870 K HN 0.197 nan 8.250 nan 0.000 0.447 871 V N 2.694 122.592 119.914 -0.028 0.000 2.370 871 V HA 0.271 4.391 4.120 -0.001 0.000 0.279 871 V C -0.158 175.896 176.094 -0.067 0.000 1.029 871 V CA -0.764 61.499 62.300 -0.062 0.000 0.870 871 V CB 1.130 32.933 31.823 -0.033 0.000 0.984 871 V HN 0.695 nan 8.190 nan 0.000 0.451 872 V N 2.340 122.170 119.914 -0.140 0.000 2.815 872 V HA 0.886 5.006 4.120 -0.001 0.000 0.314 872 V C -0.226 175.853 176.094 -0.026 0.000 1.064 872 V CA -0.250 62.006 62.300 -0.074 0.000 0.952 872 V CB 2.185 33.959 31.823 -0.082 0.000 1.020 872 V HN 0.751 nan 8.190 nan 0.000 0.439 873 T N 3.465 118.091 114.554 0.119 0.000 2.900 873 T HA 0.541 4.891 4.350 -0.001 0.000 0.295 873 T C -0.496 174.334 174.700 0.216 0.000 1.044 873 T CA -0.550 61.664 62.100 0.191 0.000 0.995 873 T CB 1.612 70.532 68.868 0.086 0.000 1.072 873 T HN 1.158 nan 8.240 nan 0.000 0.473 874 N N 0.629 119.406 118.700 0.129 0.000 2.491 874 N HA 0.547 5.287 4.740 -0.001 0.000 0.279 874 N C 1.250 176.709 175.510 -0.085 0.000 1.236 874 N CA -0.578 52.377 53.050 -0.159 0.000 0.982 874 N CB 0.279 38.358 38.487 -0.680 0.000 1.194 874 N HN 0.537 nan 8.380 nan 0.000 0.582 875 A N -0.504 122.250 122.820 -0.110 0.000 2.019 875 A HA -0.175 4.145 4.320 -0.001 0.000 0.219 875 A C 1.560 179.107 177.584 -0.061 0.000 1.164 875 A CA 1.823 53.819 52.037 -0.068 0.000 0.644 875 A CB -1.167 17.792 19.000 -0.068 0.000 0.805 875 A HN 0.872 nan 8.150 nan 0.000 0.449 876 D N -1.437 118.913 120.400 -0.084 0.000 2.309 876 D HA 0.085 4.724 4.640 -0.001 0.000 0.212 876 D C 1.368 177.655 176.300 -0.021 0.000 0.968 876 D CA 1.686 55.653 54.000 -0.054 0.000 0.882 876 D CB -0.204 40.554 40.800 -0.070 0.000 0.918 876 D HN 0.600 nan 8.370 nan 0.000 0.503 877 G N -1.038 107.755 108.800 -0.011 0.000 2.176 877 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.253 877 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.253 877 G C 0.411 175.340 174.900 0.047 0.000 0.979 877 G CA 0.311 45.422 45.100 0.017 0.000 0.641 877 G HN 0.681 nan 8.290 nan 0.000 0.530 878 A N -0.108 122.753 122.820 0.067 0.000 2.388 878 A HA 0.752 5.072 4.320 -0.001 0.000 0.257 878 A C 0.612 178.336 177.584 0.233 0.000 1.095 878 A CA 0.949 53.070 52.037 0.141 0.000 0.791 878 A CB 0.694 19.805 19.000 0.185 0.000 1.029 878 A HN 1.003 nan 8.150 nan 0.000 0.489 879 S N 0.654 116.405 115.700 0.085 0.000 2.532 879 S HA 0.686 5.155 4.470 -0.001 0.000 0.301 879 S C -0.587 173.812 174.600 -0.337 0.000 1.083 879 S CA -0.430 57.733 58.200 -0.063 0.000 1.025 879 S CB 1.037 64.212 63.200 -0.042 0.000 1.056 879 S HN 0.559 nan 8.310 nan 0.000 0.494 880 L N 2.368 123.222 121.223 -0.616 0.000 2.342 880 L HA 0.585 4.925 4.340 -0.001 0.000 0.271 880 L C -0.898 175.733 176.870 -0.399 0.000 1.008 880 L CA -0.846 53.588 54.840 -0.676 0.000 0.818 880 L CB 1.186 42.559 42.059 -1.142 0.000 1.296 880 L HN 0.377 nan 8.230 nan 0.000 0.427 881 L N 2.871 123.939 121.223 -0.260 0.000 2.276 881 L HA 0.495 4.834 4.340 -0.001 0.000 0.286 881 L C -0.716 176.105 176.870 -0.081 0.000 1.061 881 L CA -0.559 54.234 54.840 -0.079 0.000 0.807 881 L CB 1.667 43.760 42.059 0.057 0.000 1.177 881 L HN 0.280 nan 8.230 nan 0.000 0.429 882 V N 4.841 124.739 119.914 -0.027 0.000 2.487 882 V HA 0.594 4.713 4.120 -0.001 0.000 0.298 882 V C -0.633 175.517 176.094 0.094 0.000 1.028 882 V CA -0.575 61.660 62.300 -0.109 0.000 0.860 882 V CB 1.467 33.214 31.823 -0.127 0.000 0.991 882 V HN 0.602 nan 8.190 nan 0.000 0.427 883 F N 0.844 120.724 119.950 -0.117 0.000 2.688 883 F HA 0.633 5.159 4.527 -0.001 0.000 0.308 883 F C -0.735 174.998 175.800 -0.112 0.000 1.117 883 F CA -1.221 56.711 58.000 -0.114 0.000 0.976 883 F CB 0.921 39.827 39.000 -0.158 0.000 1.291 883 F HN 0.338 nan 8.300 nan 0.000 0.439 884 D N 1.742 122.174 120.400 0.053 0.000 2.400 884 D HA 0.408 5.047 4.640 -0.001 0.000 0.238 884 D C 0.278 176.596 176.300 0.029 0.000 1.157 884 D CA 0.579 54.592 54.000 0.021 0.000 0.889 884 D CB 1.495 42.336 40.800 0.068 0.000 1.199 884 D HN 0.852 nan 8.370 nan 0.000 0.436 885 T N -2.306 112.265 114.554 0.029 0.000 2.901 885 T HA 0.680 5.030 4.350 -0.001 0.000 0.293 885 T C -0.401 174.422 174.700 0.205 0.000 1.084 885 T CA -0.827 61.350 62.100 0.128 0.000 1.008 885 T CB 1.642 70.583 68.868 0.121 0.000 1.170 885 T HN 0.123 nan 8.240 nan 0.000 0.509 886 T N 1.695 116.438 114.554 0.316 0.000 2.824 886 T HA 0.711 5.060 4.350 -0.001 0.000 0.282 886 T C 0.293 175.095 174.700 0.171 0.000 0.993 886 T CA -0.504 61.713 62.100 0.196 0.000 0.967 886 T CB 1.193 70.166 68.868 0.176 0.000 0.960 886 T HN 1.077 nan 8.240 nan 0.000 0.441 887 A N 1.721 124.595 122.820 0.090 0.000 2.566 887 A HA 0.487 4.807 4.320 -0.001 0.000 0.245 887 A C 1.584 179.202 177.584 0.056 0.000 1.056 887 A CA 0.698 52.766 52.037 0.052 0.000 0.757 887 A CB -0.925 18.085 19.000 0.017 0.000 0.979 887 A HN 1.737 nan 8.150 nan 0.000 0.508 888 G N 2.034 110.865 108.800 0.053 0.000 2.213 888 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.236 888 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.236 888 G C 0.370 175.285 174.900 0.025 0.000 0.991 888 G CA 0.375 45.497 45.100 0.036 0.000 0.629 888 G HN 1.248 nan 8.290 nan 0.000 0.517 889 T N 1.882 116.459 114.554 0.039 0.000 2.829 889 T HA 0.602 4.952 4.350 -0.001 0.000 0.282 889 T C 0.019 174.627 174.700 -0.152 0.000 0.990 889 T CA 0.272 62.313 62.100 -0.099 0.000 1.028 889 T CB 1.838 70.612 68.868 -0.157 0.000 0.951 889 T HN 0.191 nan 8.240 nan 0.000 0.460 890 T N 3.231 117.634 114.554 -0.252 0.000 2.794 890 T HA 0.470 4.820 4.350 -0.001 0.000 0.280 890 T C -0.951 173.519 174.700 -0.383 0.000 0.987 890 T CA -0.405 61.602 62.100 -0.156 0.000 0.993 890 T CB 0.270 69.120 68.868 -0.029 0.000 0.939 890 T HN 0.402 nan 8.240 nan 0.000 0.449 891 Y N 1.196 121.566 120.300 0.116 0.000 2.341 891 Y HA 0.436 4.985 4.550 -0.001 0.000 0.337 891 Y C 0.934 176.857 175.900 0.038 0.000 1.014 891 Y CA -0.900 57.238 58.100 0.063 0.000 1.111 891 Y CB 1.420 39.949 38.460 0.116 0.000 1.194 891 Y HN 0.475 nan 8.280 nan 0.000 0.462 892 T N 5.414 120.025 114.554 0.094 0.000 2.758 892 T HA 0.564 4.914 4.350 -0.001 0.000 0.285 892 T C -0.279 174.456 174.700 0.058 0.000 0.981 892 T CA -0.493 61.648 62.100 0.069 0.000 0.965 892 T CB 0.182 69.072 68.868 0.036 0.000 0.927 892 T HN 0.381 nan 8.240 nan 0.000 0.448 893 I N 4.112 124.728 120.570 0.077 0.000 2.362 893 I HA 0.481 4.651 4.170 -0.001 0.000 0.289 893 I C 0.451 176.674 176.117 0.178 0.000 0.994 893 I CA -0.667 60.686 61.300 0.088 0.000 1.158 893 I CB 1.643 39.670 38.000 0.045 0.000 1.315 893 I HN 0.667 nan 8.210 nan 0.000 0.451 894 T N 1.596 116.286 114.554 0.227 0.000 2.883 894 T HA 0.420 4.770 4.350 -0.001 0.000 0.296 894 T C -0.597 174.175 174.700 0.121 0.000 1.117 894 T CA -1.126 61.111 62.100 0.228 0.000 1.006 894 T CB 2.000 70.920 68.868 0.088 0.000 1.191 894 T HN 0.398 nan 8.240 nan 0.000 0.508 895 K N 1.467 121.780 120.400 -0.144 0.000 2.368 895 K HA 0.210 4.530 4.320 -0.001 0.000 0.282 895 K C 0.497 176.961 176.600 -0.227 0.000 1.035 895 K CA -0.354 55.635 56.287 -0.497 0.000 0.973 895 K CB 0.468 32.666 32.500 -0.504 0.000 0.957 895 K HN 0.476 nan 8.250 nan 0.000 0.474 896 K N 0.000 120.275 120.400 -0.208 0.000 2.780 896 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 896 K CA 0.000 56.219 56.287 -0.113 0.000 0.838 896 K CB 0.000 32.447 32.500 -0.089 0.000 1.064 896 K HN 0.000 nan 8.250 nan 0.000 0.543