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_B 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 VKNGDTAVNA 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 0.000 176.319 176.300 0.032 0.000 2.045 10 D CA 0.000 54.020 54.000 0.034 0.000 0.868 10 D CB 0.000 40.830 40.800 0.050 0.000 0.688 11 G N 1.527 110.343 108.800 0.027 0.000 2.550 11 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.277 11 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.277 11 G C -0.368 174.546 174.900 0.023 0.000 1.190 11 G CA 0.285 45.397 45.100 0.020 0.000 0.971 11 G HN 0.237 nan 8.290 nan 0.000 0.559 12 D N 1.340 121.750 120.400 0.016 0.000 2.295 12 D HA 0.520 5.159 4.640 -0.000 0.000 0.248 12 D C 1.580 177.895 176.300 0.025 0.000 1.154 12 D CA 0.683 54.687 54.000 0.006 0.000 0.857 12 D CB 0.873 41.666 40.800 -0.011 0.000 1.117 12 D HN 0.753 nan 8.370 nan 0.000 0.468 13 T N -0.910 113.664 114.554 0.034 0.000 3.040 13 T HA 0.011 4.361 4.350 -0.000 0.000 0.266 13 T C 1.628 176.311 174.700 -0.029 0.000 1.005 13 T CA 0.274 62.420 62.100 0.077 0.000 0.906 13 T CB -0.126 68.889 68.868 0.244 0.000 1.082 13 T HN 0.225 nan 8.240 nan 0.000 0.531 14 S N 1.848 117.476 115.700 -0.121 0.000 2.419 14 S HA -0.075 4.395 4.470 -0.000 0.000 0.235 14 S C 1.714 176.122 174.600 -0.319 0.000 1.019 14 S CA 0.711 58.727 58.200 -0.307 0.000 0.982 14 S CB -0.401 62.649 63.200 -0.251 0.000 0.789 14 S HN 0.339 nan 8.310 nan 0.000 0.490 15 K N 1.427 121.744 120.400 -0.138 0.000 2.393 15 K HA 0.296 4.616 4.320 -0.000 0.000 0.193 15 K C -0.373 176.230 176.600 0.005 0.000 1.026 15 K CA 0.005 56.243 56.287 -0.081 0.000 1.064 15 K CB -0.135 32.344 32.500 -0.035 0.000 0.833 15 K HN 0.416 nan 8.250 nan 0.000 0.521 16 D N 1.443 121.877 120.400 0.057 0.000 2.362 16 D HA 0.019 4.659 4.640 -0.000 0.000 0.242 16 D C -0.431 175.971 176.300 0.169 0.000 1.132 16 D CA 0.178 54.267 54.000 0.148 0.000 0.907 16 D CB 0.589 41.532 40.800 0.238 0.000 1.195 16 D HN 0.001 nan 8.370 nan 0.000 0.429 17 D N 1.204 121.751 120.400 0.245 0.000 2.295 17 D HA 0.153 4.793 4.640 -0.000 0.000 0.248 17 D C -0.286 176.238 176.300 0.374 0.000 1.154 17 D CA -0.103 54.059 54.000 0.270 0.000 0.857 17 D CB 0.534 41.515 40.800 0.302 0.000 1.117 17 D HN 0.181 nan 8.370 nan 0.000 0.468 18 W N 2.086 123.386 121.300 -0.001 0.000 2.632 18 W HA 0.362 5.022 4.660 -0.000 0.000 0.328 18 W C -0.564 175.949 176.519 -0.010 0.000 1.044 18 W CA -0.868 56.419 57.345 -0.098 0.000 1.225 18 W CB 0.700 29.983 29.460 -0.294 0.000 1.396 18 W HN 0.098 nan 8.180 nan 0.000 0.499 19 L N 4.973 126.244 121.223 0.080 0.000 2.292 19 L HA 0.469 4.809 4.340 -0.000 0.000 0.284 19 L C -0.087 176.800 176.870 0.029 0.000 1.065 19 L CA -0.465 54.339 54.840 -0.060 0.000 0.806 19 L CB 0.180 42.130 42.059 -0.183 0.000 1.175 19 L HN 0.411 nan 8.230 nan 0.000 0.431 20 W N 3.651 124.692 121.300 -0.431 0.000 3.127 20 W HA 0.614 5.274 4.660 -0.000 0.000 0.330 20 W C -2.254 173.855 176.519 -0.684 0.000 1.187 20 W CA -1.157 55.991 57.345 -0.327 0.000 1.198 20 W CB 0.685 30.151 29.460 0.010 0.000 1.408 20 W HN 0.366 nan 8.180 nan 0.000 0.529 21 Y N 1.290 121.636 120.300 0.075 0.000 2.492 21 Y HA 0.313 4.863 4.550 -0.000 0.000 0.346 21 Y C 0.957 176.965 175.900 0.181 0.000 0.997 21 Y CA -1.181 56.897 58.100 -0.036 0.000 1.025 21 Y CB 2.900 41.332 38.460 -0.046 0.000 1.263 21 Y HN 0.369 nan 8.280 nan 0.000 0.454 22 K N 1.371 121.911 120.400 0.232 0.000 2.417 22 K HA 0.077 4.397 4.320 -0.000 0.000 0.196 22 K C -0.114 176.669 176.600 0.305 0.000 1.023 22 K CA 0.124 56.602 56.287 0.318 0.000 1.122 22 K CB 0.335 32.950 32.500 0.192 0.000 0.850 22 K HN 0.556 nan 8.250 nan 0.000 0.521 23 Q N -0.550 119.380 119.800 0.216 0.000 2.462 23 Q HA 0.405 4.745 4.340 -0.000 0.000 0.285 23 Q C -3.305 172.618 176.000 -0.128 0.000 1.035 23 Q CA -2.885 52.824 55.803 -0.156 0.000 0.799 23 Q CB 1.112 29.768 28.738 -0.137 0.000 1.452 23 Q HN -0.271 nan 8.270 nan 0.000 0.404 24 P HA 0.098 nan 4.420 nan 0.000 0.271 24 P C 0.256 177.506 177.300 -0.083 0.000 1.233 24 P CA 0.803 63.827 63.100 -0.127 0.000 0.789 24 P CB 0.387 31.966 31.700 -0.201 0.000 0.951 25 A N 1.450 124.249 122.820 -0.035 0.000 1.908 25 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 25 A C 2.119 179.686 177.584 -0.028 0.000 1.181 25 A CA 2.435 54.390 52.037 -0.137 0.000 0.627 25 A CB -1.973 16.839 19.000 -0.313 0.000 0.818 25 A HN 0.627 nan 8.150 nan 0.000 0.445 26 S N -0.761 115.007 115.700 0.115 0.000 2.465 26 S HA -0.203 4.267 4.470 -0.000 0.000 0.241 26 S C 1.510 176.100 174.600 -0.017 0.000 1.000 26 S CA 1.507 59.752 58.200 0.075 0.000 0.964 26 S CB -0.346 62.891 63.200 0.062 0.000 0.763 26 S HN 0.728 nan 8.310 nan 0.000 0.512 27 Q N 0.493 120.255 119.800 -0.064 0.000 2.217 27 Q HA 0.212 4.552 4.340 -0.000 0.000 0.217 27 Q C -0.387 175.563 176.000 -0.083 0.000 0.844 27 Q CA 0.011 55.765 55.803 -0.081 0.000 0.957 27 Q CB 0.823 29.492 28.738 -0.115 0.000 1.127 27 Q HN 0.434 nan 8.270 nan 0.000 0.503 28 T N 1.363 115.853 114.554 -0.107 0.000 2.889 28 T HA 0.038 4.388 4.350 -0.000 0.000 0.291 28 T C -0.236 174.391 174.700 -0.121 0.000 0.995 28 T CA -0.562 61.461 62.100 -0.127 0.000 1.092 28 T CB 1.153 69.882 68.868 -0.232 0.000 0.954 28 T HN 0.043 nan 8.240 nan 0.000 0.506 29 D N 1.637 121.979 120.400 -0.096 0.000 2.487 29 D HA 0.161 4.801 4.640 -0.000 0.000 0.243 29 D C -0.121 176.100 176.300 -0.132 0.000 1.154 29 D CA -0.106 53.842 54.000 -0.087 0.000 0.876 29 D CB 0.525 41.294 40.800 -0.052 0.000 1.161 29 D HN 0.638 nan 8.370 nan 0.000 0.478 30 A N 2.918 125.657 122.820 -0.136 0.000 2.795 30 A HA 0.168 4.488 4.320 -0.000 0.000 0.282 30 A C 1.037 178.520 177.584 -0.168 0.000 0.964 30 A CA -0.156 51.759 52.037 -0.202 0.000 1.045 30 A CB -0.145 18.734 19.000 -0.202 0.000 1.174 30 A HN 0.545 nan 8.150 nan 0.000 0.493 31 T N -2.901 111.585 114.554 -0.113 0.000 3.081 31 T HA 0.493 4.843 4.350 -0.000 0.000 0.250 31 T C 0.957 175.619 174.700 -0.064 0.000 1.100 31 T CA 0.625 62.681 62.100 -0.072 0.000 1.038 31 T CB -0.104 68.742 68.868 -0.037 0.000 0.962 31 T HN 0.752 nan 8.240 nan 0.000 0.516 32 A N 2.036 124.804 122.820 -0.086 0.000 2.386 32 A HA 0.484 4.804 4.320 -0.000 0.000 0.246 32 A C 0.728 178.244 177.584 -0.113 0.000 1.089 32 A CA -0.425 51.576 52.037 -0.060 0.000 0.790 32 A CB -0.408 18.593 19.000 0.001 0.000 1.042 32 A HN 0.420 nan 8.150 nan 0.000 0.497 33 T N 1.583 116.084 114.554 -0.089 0.000 2.819 33 T HA 0.215 4.564 4.350 -0.000 0.000 0.282 33 T C 1.509 176.162 174.700 -0.078 0.000 1.013 33 T CA 0.540 62.611 62.100 -0.048 0.000 1.159 33 T CB 0.504 69.400 68.868 0.045 0.000 1.007 33 T HN 0.934 nan 8.240 nan 0.000 0.514 34 A N 3.501 126.301 122.820 -0.033 0.000 1.898 34 A HA 0.509 4.829 4.320 -0.000 0.000 0.214 34 A C 1.517 179.128 177.584 0.044 0.000 1.183 34 A CA 0.863 52.881 52.037 -0.032 0.000 0.622 34 A CB -1.022 17.993 19.000 0.024 0.000 0.824 34 A HN 1.784 nan 8.150 nan 0.000 0.444 35 G N -2.325 106.535 108.800 0.099 0.000 2.781 35 G HA2 0.331 4.291 3.960 -0.000 0.000 0.683 35 G HA3 0.331 4.291 3.960 -0.000 0.000 0.683 35 G C 0.447 175.432 174.900 0.143 0.000 1.390 35 G CA -0.330 44.854 45.100 0.140 0.000 0.850 35 G HN 1.558 nan 8.290 nan 0.000 0.557 36 G N -0.739 108.104 108.800 0.071 0.000 2.368 36 G HA2 0.431 4.391 3.960 -0.000 0.000 0.233 36 G HA3 0.431 4.391 3.960 -0.000 0.000 0.233 36 G C 0.824 175.759 174.900 0.057 0.000 1.267 36 G CA 1.189 46.284 45.100 -0.007 0.000 0.873 36 G HN 2.033 nan 8.290 nan 0.000 0.539 37 N N -0.857 117.833 118.700 -0.017 0.000 2.909 37 N HA -0.218 4.522 4.740 -0.000 0.000 0.242 37 N C -0.119 175.285 175.510 -0.177 0.000 0.975 37 N CA 1.506 54.487 53.050 -0.115 0.000 0.921 37 N CB -1.170 37.192 38.487 -0.208 0.000 1.112 37 N HN 0.636 nan 8.380 nan 0.000 0.581 38 Y N -0.990 119.305 120.300 -0.008 0.000 2.672 38 Y HA 0.439 4.989 4.550 -0.000 0.000 0.272 38 Y C 1.732 177.639 175.900 0.011 0.000 1.055 38 Y CA -0.233 57.881 58.100 0.023 0.000 1.151 38 Y CB 0.645 39.142 38.460 0.062 0.000 1.190 38 Y HN 0.176 nan 8.280 nan 0.000 0.574 39 G N 0.196 109.046 108.800 0.082 0.000 2.422 39 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 39 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 39 G C 0.809 175.733 174.900 0.041 0.000 1.140 39 G CA 0.196 45.326 45.100 0.049 0.000 0.775 39 G HN 0.248 nan 8.290 nan 0.000 0.545 40 N N 1.214 119.930 118.700 0.027 0.000 2.416 40 N HA 0.151 4.891 4.740 -0.000 0.000 0.265 40 N C -1.457 174.097 175.510 0.073 0.000 1.195 40 N CA -1.943 51.123 53.050 0.027 0.000 0.943 40 N CB 1.620 40.102 38.487 -0.008 0.000 1.115 40 N HN -0.098 nan 8.380 nan 0.000 0.481 41 P HA -0.141 nan 4.420 nan 0.000 0.216 41 P C 0.696 178.064 177.300 0.112 0.000 1.150 41 P CA 1.130 64.272 63.100 0.069 0.000 0.843 41 P CB 0.306 32.031 31.700 0.042 0.000 0.787 42 D N -1.406 119.066 120.400 0.120 0.000 2.097 42 D HA -0.152 4.488 4.640 -0.000 0.000 0.195 42 D C 1.741 178.224 176.300 0.305 0.000 0.989 42 D CA 1.166 55.282 54.000 0.194 0.000 0.827 42 D CB -0.499 40.381 40.800 0.133 0.000 0.966 42 D HN -0.048 nan 8.370 nan 0.000 0.456 43 N N 0.236 119.081 118.700 0.241 0.000 2.084 43 N HA -0.170 4.570 4.740 -0.000 0.000 0.190 43 N C 1.553 177.404 175.510 0.568 0.000 1.030 43 N CA 0.923 54.168 53.050 0.324 0.000 0.849 43 N CB -0.774 37.742 38.487 0.048 0.000 1.012 43 N HN 0.264 nan 8.380 nan 0.000 0.423 44 N N 1.165 120.121 118.700 0.426 0.000 2.104 44 N HA -0.186 4.554 4.740 -0.000 0.000 0.190 44 N C 1.728 177.268 175.510 0.051 0.000 1.024 44 N CA 1.227 54.420 53.050 0.240 0.000 0.853 44 N CB -0.054 38.489 38.487 0.093 0.000 1.008 44 N HN 0.175 nan 8.380 nan 0.000 0.424 45 R N -0.903 119.657 120.500 0.101 0.000 2.081 45 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 45 R C 2.087 178.337 176.300 -0.083 0.000 1.131 45 R CA 1.617 57.721 56.100 0.007 0.000 0.960 45 R CB -0.914 29.462 30.300 0.128 0.000 0.856 45 R HN 0.518 nan 8.270 nan 0.000 0.436 46 W N 2.116 123.388 121.300 -0.047 0.000 2.302 46 W HA -0.327 4.333 4.660 -0.000 0.000 0.320 46 W C 2.088 178.430 176.519 -0.296 0.000 1.241 46 W CA 2.508 59.675 57.345 -0.298 0.000 1.264 46 W CB -0.453 29.052 29.460 0.074 0.000 1.154 46 W HN 0.425 nan 8.180 nan 0.000 0.483 47 Q N -0.744 118.976 119.800 -0.132 0.000 2.297 47 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 47 Q C 1.861 177.529 176.000 -0.552 0.000 0.962 47 Q CA 1.673 57.211 55.803 -0.442 0.000 0.879 47 Q CB -0.575 28.160 28.738 -0.006 0.000 0.947 47 Q HN 0.495 nan 8.270 nan 0.000 0.462 48 Q N 0.274 119.692 119.800 -0.637 0.000 2.396 48 Q HA 0.037 4.377 4.340 -0.000 0.000 0.209 48 Q C 1.125 176.802 176.000 -0.538 0.000 0.906 48 Q CA 1.421 56.813 55.803 -0.684 0.000 0.927 48 Q CB 1.077 29.330 28.738 -0.807 0.000 1.069 48 Q HN 0.645 nan 8.270 nan 0.000 0.523 49 T N -3.371 110.792 114.554 -0.652 0.000 2.993 49 T HA 0.044 4.394 4.350 -0.000 0.000 0.260 49 T C 0.935 175.131 174.700 -0.840 0.000 0.939 49 T CA 0.173 61.865 62.100 -0.680 0.000 0.886 49 T CB 0.220 68.765 68.868 -0.538 0.000 1.209 49 T HN 0.146 nan 8.240 nan 0.000 0.518 50 T N 1.513 115.462 114.554 -1.009 0.000 2.913 50 T HA 0.677 5.027 4.350 -0.000 0.000 0.287 50 T C -0.200 173.979 174.700 -0.868 0.000 1.008 50 T CA -0.830 60.680 62.100 -0.982 0.000 1.067 50 T CB 0.883 69.030 68.868 -1.201 0.000 0.996 50 T HN 0.288 nan 8.240 nan 0.000 0.513 51 L N 3.706 124.575 121.223 -0.590 0.000 2.280 51 L HA 0.457 4.797 4.340 -0.000 0.000 0.287 51 L C -2.169 174.511 176.870 -0.316 0.000 1.023 51 L CA -2.358 52.208 54.840 -0.457 0.000 0.819 51 L CB 1.844 43.743 42.059 -0.268 0.000 1.212 51 L HN 0.540 nan 8.230 nan 0.000 0.420 52 P HA 0.403 nan 4.420 nan 0.000 0.286 52 P C -1.259 176.064 177.300 0.038 0.000 1.261 52 P CA -0.301 62.485 63.100 -0.524 0.000 0.821 52 P CB 1.297 32.185 31.700 -1.353 0.000 1.013 53 F N -0.746 119.305 119.950 0.167 0.000 2.643 53 F HA 0.922 5.449 4.527 -0.000 0.000 0.314 53 F C -0.606 175.557 175.800 0.605 0.000 1.096 53 F CA -0.862 57.378 58.000 0.400 0.000 0.953 53 F CB 1.517 40.703 39.000 0.309 0.000 1.345 53 F HN 0.631 nan 8.300 nan 0.000 0.468 54 G N 0.710 109.815 108.800 0.508 0.000 2.523 54 G HA2 0.351 4.311 3.960 -0.000 0.000 0.291 54 G HA3 0.351 4.311 3.960 -0.000 0.000 0.291 54 G C -1.840 173.224 174.900 0.273 0.000 1.450 54 G CA -0.666 44.596 45.100 0.271 0.000 0.790 54 G HN 1.120 nan 8.290 nan 0.000 0.496 55 N N -1.038 117.757 118.700 0.158 0.000 2.235 55 N HA 0.374 5.114 4.740 -0.000 0.000 0.231 55 N C 1.332 176.899 175.510 0.095 0.000 1.177 55 N CA 0.731 53.888 53.050 0.178 0.000 0.874 55 N CB 0.934 39.536 38.487 0.192 0.000 1.097 55 N HN 2.051 nan 8.380 nan 0.000 0.518 56 G N 0.370 109.185 108.800 0.026 0.000 2.241 56 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.244 56 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.244 56 G C 0.849 175.714 174.900 -0.058 0.000 0.998 56 G CA 0.690 45.777 45.100 -0.022 0.000 0.621 56 G HN 0.477 nan 8.290 nan 0.000 0.519 57 K N -0.512 119.859 120.400 -0.048 0.000 2.509 57 K HA 0.399 4.719 4.320 -0.000 0.000 0.205 57 K C 1.236 177.768 176.600 -0.114 0.000 1.336 57 K CA 0.610 56.870 56.287 -0.044 0.000 0.912 57 K CB 0.534 33.049 32.500 0.024 0.000 1.568 57 K HN 0.581 nan 8.250 nan 0.000 0.475 58 I N -0.764 119.725 120.570 -0.135 0.000 2.577 58 I HA 0.662 4.831 4.170 -0.000 0.000 0.305 58 I C -0.206 175.703 176.117 -0.347 0.000 0.986 58 I CA -0.842 60.273 61.300 -0.308 0.000 1.189 58 I CB 1.875 39.734 38.000 -0.235 0.000 1.355 58 I HN 0.015 nan 8.210 nan 0.000 0.476 59 G N 2.141 110.605 108.800 -0.559 0.000 2.690 59 G HA2 0.705 4.665 3.960 -0.000 0.000 0.293 59 G HA3 0.705 4.665 3.960 -0.000 0.000 0.293 59 G C -1.283 173.309 174.900 -0.513 0.000 1.399 59 G CA -0.809 44.027 45.100 -0.440 0.000 0.890 59 G HN 1.027 nan 8.290 nan 0.000 0.485 60 G N -0.631 107.761 108.800 -0.681 0.000 2.563 60 G HA2 0.711 4.671 3.960 -0.000 0.000 0.302 60 G HA3 0.711 4.671 3.960 -0.000 0.000 0.302 60 G C -0.702 174.091 174.900 -0.178 0.000 1.301 60 G CA -0.508 44.296 45.100 -0.494 0.000 0.965 60 G HN 0.977 nan 8.290 nan 0.000 0.480 61 T N -0.955 113.672 114.554 0.121 0.000 2.847 61 T HA 0.536 4.886 4.350 -0.000 0.000 0.291 61 T C -0.404 174.339 174.700 0.072 0.000 0.998 61 T CA -0.608 61.532 62.100 0.067 0.000 0.967 61 T CB 1.638 70.604 68.868 0.164 0.000 0.954 61 T HN 0.398 nan 8.240 nan 0.000 0.441 62 V N 3.941 123.841 119.914 -0.022 0.000 2.432 62 V HA 0.176 4.296 4.120 -0.000 0.000 0.275 62 V C 0.594 176.665 176.094 -0.037 0.000 1.043 62 V CA -0.604 61.675 62.300 -0.036 0.000 0.925 62 V CB 0.971 32.730 31.823 -0.107 0.000 0.985 62 V HN 0.940 nan 8.190 nan 0.000 0.466 63 W N 3.023 124.270 121.300 -0.089 0.000 2.523 63 W HA 0.130 4.790 4.660 -0.000 0.000 0.278 63 W C 1.685 178.191 176.519 -0.022 0.000 1.236 63 W CA 1.026 58.330 57.345 -0.068 0.000 1.306 63 W CB 0.205 29.644 29.460 -0.035 0.000 1.101 63 W HN 0.944 nan 8.180 nan 0.000 0.577 64 G N 1.790 110.741 108.800 0.251 0.000 2.198 64 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.260 64 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.260 64 G C 0.038 175.093 174.900 0.259 0.000 1.025 64 G CA 0.087 45.350 45.100 0.272 0.000 0.769 64 G HN 0.116 nan 8.290 nan 0.000 0.507 65 E N -0.423 119.882 120.200 0.176 0.000 2.415 65 E HA 0.267 4.617 4.350 -0.000 0.000 0.262 65 E C 1.778 178.342 176.600 -0.060 0.000 1.038 65 E CA 0.017 56.444 56.400 0.045 0.000 0.921 65 E CB 1.119 30.831 29.700 0.021 0.000 0.950 65 E HN 0.094 nan 8.360 nan 0.000 0.438 66 V N 1.989 121.765 119.914 -0.230 0.000 2.244 66 V HA -0.227 3.893 4.120 -0.000 0.000 0.244 66 V C 2.144 178.083 176.094 -0.258 0.000 1.042 66 V CA 2.357 64.329 62.300 -0.547 0.000 1.006 66 V CB -0.308 31.146 31.823 -0.615 0.000 0.641 66 V HN 0.674 nan 8.190 nan 0.000 0.446 67 S N -0.946 114.713 115.700 -0.069 0.000 2.433 67 S HA 0.075 4.545 4.470 -0.000 0.000 0.216 67 S C 1.443 176.052 174.600 0.014 0.000 1.031 67 S CA -0.034 58.163 58.200 -0.005 0.000 0.931 67 S CB -0.029 63.213 63.200 0.070 0.000 0.875 67 S HN 0.427 nan 8.310 nan 0.000 0.553 68 R N 2.086 122.599 120.500 0.022 0.000 2.870 68 R HA 0.252 4.592 4.340 -0.000 0.000 0.254 68 R C -0.569 175.794 176.300 0.105 0.000 1.392 68 R CA -0.209 55.935 56.100 0.074 0.000 1.322 68 R CB 0.102 30.419 30.300 0.029 0.000 1.205 68 R HN 0.282 nan 8.270 nan 0.000 0.597 69 E N 2.371 122.660 120.200 0.147 0.000 2.383 69 E HA 0.073 4.423 4.350 -0.000 0.000 0.264 69 E C -0.916 175.722 176.600 0.063 0.000 1.050 69 E CA -0.093 56.382 56.400 0.124 0.000 0.896 69 E CB 0.719 30.533 29.700 0.189 0.000 0.982 69 E HN 0.455 nan 8.360 nan 0.000 0.424 70 R N 2.812 123.301 120.500 -0.020 0.000 2.533 70 R HA 0.474 4.814 4.340 -0.000 0.000 0.288 70 R C -1.907 174.382 176.300 -0.017 0.000 1.039 70 R CA -0.725 55.221 56.100 -0.256 0.000 0.909 70 R CB 1.434 31.379 30.300 -0.591 0.000 1.195 70 R HN 0.406 nan 8.270 nan 0.000 0.438 71 V N 3.709 123.574 119.914 -0.082 0.000 2.349 71 V HA 0.260 4.380 4.120 -0.000 0.000 0.284 71 V C -0.025 176.157 176.094 0.147 0.000 1.014 71 V CA -0.693 61.644 62.300 0.062 0.000 0.826 71 V CB 1.679 33.476 31.823 -0.044 0.000 1.009 71 V HN 0.802 nan 8.190 nan 0.000 0.431 72 T N 5.807 120.571 114.554 0.351 0.000 2.888 72 T HA 0.336 4.686 4.350 -0.000 0.000 0.301 72 T C -0.565 174.299 174.700 0.273 0.000 1.001 72 T CA 0.559 62.859 62.100 0.333 0.000 1.147 72 T CB 0.170 69.353 68.868 0.524 0.000 0.931 72 T HN 0.429 nan 8.240 nan 0.000 0.541 73 F N 3.703 123.689 119.950 0.059 0.000 2.495 73 F HA 0.538 5.065 4.527 -0.000 0.000 0.327 73 F C -0.117 175.690 175.800 0.012 0.000 1.103 73 F CA -0.875 57.120 58.000 -0.009 0.000 0.949 73 F CB 1.300 40.249 39.000 -0.085 0.000 1.142 73 F HN 0.413 nan 8.300 nan 0.000 0.457 74 N N 3.755 121.965 118.700 -0.818 0.000 2.242 74 N HA 0.225 4.965 4.740 -0.000 0.000 0.292 74 N C -1.884 173.208 175.510 -0.697 0.000 1.125 74 N CA -0.608 52.159 53.050 -0.472 0.000 0.783 74 N CB 2.527 40.869 38.487 -0.242 0.000 1.558 74 N HN 0.593 nan 8.380 nan 0.000 0.472 75 E N 1.212 121.312 120.200 -0.167 0.000 2.248 75 E HA 0.094 4.444 4.350 -0.000 0.000 0.267 75 E C 0.249 176.968 176.600 0.197 0.000 0.877 75 E CA -0.235 56.151 56.400 -0.024 0.000 0.759 75 E CB 1.765 31.544 29.700 0.131 0.000 1.182 75 E HN 0.702 nan 8.360 nan 0.000 0.418 76 E N 1.255 121.535 120.200 0.134 0.000 2.265 76 E HA -0.157 4.193 4.350 -0.000 0.000 0.196 76 E C 0.967 177.735 176.600 0.281 0.000 0.996 76 E CA 1.631 58.130 56.400 0.165 0.000 0.832 76 E CB -0.119 29.583 29.700 0.003 0.000 0.756 76 E HN 0.399 nan 8.360 nan 0.000 0.491 77 T N -1.275 113.419 114.554 0.232 0.000 3.105 77 T HA 0.179 4.529 4.350 -0.000 0.000 0.253 77 T C 0.489 175.330 174.700 0.234 0.000 1.047 77 T CA -0.554 61.603 62.100 0.095 0.000 0.944 77 T CB 0.032 68.900 68.868 -0.000 0.000 1.016 77 T HN 0.062 nan 8.240 nan 0.000 0.544 78 L N 2.401 123.771 121.223 0.246 0.000 2.415 78 L HA 0.471 4.811 4.340 -0.000 0.000 0.269 78 L C -1.301 175.512 176.870 -0.095 0.000 1.244 78 L CA -0.454 54.386 54.840 0.000 0.000 1.113 78 L CB -0.786 41.162 42.059 -0.184 0.000 1.352 78 L HN 0.376 nan 8.230 nan 0.000 0.433 79 W N 3.106 124.369 121.300 -0.062 0.000 2.683 79 W HA 0.489 5.149 4.660 -0.000 0.000 0.329 79 W C 0.441 177.002 176.519 0.069 0.000 1.037 79 W CA -0.463 56.881 57.345 -0.002 0.000 1.232 79 W CB 1.791 31.216 29.460 -0.057 0.000 1.390 79 W HN 0.484 nan 8.180 nan 0.000 0.465 80 T N 0.815 115.455 114.554 0.143 0.000 2.788 80 T HA 0.814 5.164 4.350 -0.000 0.000 0.280 80 T C 0.645 175.461 174.700 0.193 0.000 0.984 80 T CA 0.472 62.619 62.100 0.077 0.000 0.972 80 T CB 1.133 69.956 68.868 -0.075 0.000 1.039 80 T HN 1.282 nan 8.240 nan 0.000 0.530 81 G N -1.130 107.640 108.800 -0.051 0.000 2.631 81 G HA2 0.429 4.389 3.960 -0.000 0.000 0.504 81 G HA3 0.429 4.389 3.960 -0.000 0.000 0.504 81 G C 0.254 174.755 174.900 -0.664 0.000 1.306 81 G CA -0.028 44.964 45.100 -0.180 0.000 0.897 81 G HN 2.645 nan 8.290 nan 0.000 0.520 82 G N -0.852 107.403 108.800 -0.908 0.000 2.693 82 G HA2 0.257 4.217 3.960 -0.000 0.000 0.226 82 G HA3 0.257 4.217 3.960 -0.000 0.000 0.226 82 G C -2.108 171.910 174.900 -1.471 0.000 1.354 82 G CA 0.605 44.669 45.100 -1.727 0.000 0.873 82 G HN 1.576 nan 8.290 nan 0.000 0.562 83 P HA 0.344 nan 4.420 nan 0.000 0.265 83 P C 1.091 178.230 177.300 -0.268 0.000 1.193 83 P CA 1.982 64.867 63.100 -0.359 0.000 0.765 83 P CB 0.668 32.317 31.700 -0.085 0.000 0.823 84 G N 2.484 111.210 108.800 -0.124 0.000 2.234 84 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.235 84 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.235 84 G C 1.140 175.991 174.900 -0.082 0.000 0.997 84 G CA 0.482 45.529 45.100 -0.088 0.000 0.623 84 G HN 0.642 nan 8.290 nan 0.000 0.514 85 S N -0.281 115.344 115.700 -0.125 0.000 2.489 85 S HA 0.489 4.959 4.470 -0.000 0.000 0.228 85 S C 1.051 175.660 174.600 0.015 0.000 0.995 85 S CA 1.559 59.716 58.200 -0.072 0.000 0.934 85 S CB -0.044 63.084 63.200 -0.121 0.000 0.771 85 S HN 2.228 nan 8.310 nan 0.000 0.522 86 S N -0.066 115.665 115.700 0.053 0.000 2.672 86 S HA 0.474 4.944 4.470 -0.000 0.000 0.271 86 S C 0.310 174.959 174.600 0.082 0.000 1.171 86 S CA -0.033 58.218 58.200 0.085 0.000 0.817 86 S CB 0.762 64.045 63.200 0.138 0.000 1.150 86 S HN 0.345 nan 8.310 nan 0.000 0.478 87 T N -1.453 113.146 114.554 0.075 0.000 3.107 87 T HA 0.266 4.616 4.350 -0.000 0.000 0.249 87 T C 0.939 175.686 174.700 0.078 0.000 1.096 87 T CA 0.601 62.739 62.100 0.063 0.000 1.012 87 T CB -0.519 68.376 68.868 0.044 0.000 0.977 87 T HN 1.240 nan 8.240 nan 0.000 0.527 88 S N -0.393 115.371 115.700 0.108 0.000 3.021 88 S HA 0.279 4.749 4.470 -0.000 0.000 0.252 88 S C -0.298 174.382 174.600 0.134 0.000 0.996 88 S CA -0.910 57.350 58.200 0.099 0.000 1.084 88 S CB -0.851 62.392 63.200 0.071 0.000 1.021 88 S HN 0.416 nan 8.310 nan 0.000 0.566 89 Y N 3.079 123.423 120.300 0.073 0.000 2.729 89 Y HA 0.352 4.902 4.550 -0.000 0.000 0.331 89 Y C 0.544 176.513 175.900 0.114 0.000 1.208 89 Y CA 0.437 58.604 58.100 0.112 0.000 1.521 89 Y CB 0.364 38.880 38.460 0.093 0.000 1.233 89 Y HN 0.441 nan 8.280 nan 0.000 0.539 90 N N 3.826 122.236 118.700 -0.484 0.000 2.598 90 N HA 0.166 4.906 4.740 -0.000 0.000 0.295 90 N C 0.421 175.663 175.510 -0.447 0.000 1.729 90 N CA 0.509 53.369 53.050 -0.316 0.000 0.877 90 N CB 0.075 38.491 38.487 -0.119 0.000 1.405 90 N HN 0.930 nan 8.380 nan 0.000 0.491 91 G N -0.008 108.243 108.800 -0.915 0.000 2.187 91 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.261 91 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.261 91 G C 1.010 175.515 174.900 -0.659 0.000 1.000 91 G CA 0.682 45.515 45.100 -0.445 0.000 0.718 91 G HN 1.366 nan 8.290 nan 0.000 0.519 92 G N -1.618 106.726 108.800 -0.760 0.000 2.176 92 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.253 92 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.253 92 G C 0.148 174.806 174.900 -0.403 0.000 0.979 92 G CA 0.505 45.048 45.100 -0.928 0.000 0.641 92 G HN 1.246 nan 8.290 nan 0.000 0.530 93 N N 1.259 119.820 118.700 -0.231 0.000 2.468 93 N HA 0.351 5.091 4.740 -0.000 0.000 0.265 93 N C -0.229 175.277 175.510 -0.006 0.000 1.199 93 N CA -0.019 53.030 53.050 -0.001 0.000 0.928 93 N CB 0.451 38.944 38.487 0.010 0.000 1.059 93 N HN 0.207 nan 8.380 nan 0.000 0.467 94 N N 2.075 120.816 118.700 0.068 0.000 2.546 94 N HA 0.068 4.808 4.740 -0.000 0.000 0.238 94 N C 0.238 175.656 175.510 -0.153 0.000 0.984 94 N CA -0.189 52.857 53.050 -0.008 0.000 0.935 94 N CB 0.616 39.144 38.487 0.068 0.000 1.122 94 N HN 0.536 nan 8.380 nan 0.000 0.510 95 E N 0.644 120.763 120.200 -0.135 0.000 2.110 95 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 95 E C 1.320 177.836 176.600 -0.140 0.000 0.988 95 E CA 1.646 57.947 56.400 -0.164 0.000 0.804 95 E CB 0.107 29.745 29.700 -0.102 0.000 0.745 95 E HN 0.734 nan 8.360 nan 0.000 0.458 96 T N -0.383 114.120 114.554 -0.086 0.000 2.915 96 T HA -0.056 4.294 4.350 -0.000 0.000 0.269 96 T C 1.746 176.407 174.700 -0.065 0.000 1.071 96 T CA 0.591 62.655 62.100 -0.060 0.000 1.132 96 T CB 0.109 68.959 68.868 -0.030 0.000 0.878 96 T HN -0.095 nan 8.240 nan 0.000 0.479 97 K N 1.188 121.545 120.400 -0.071 0.000 2.021 97 K HA 0.190 4.510 4.320 -0.000 0.000 0.205 97 K C 2.697 179.237 176.600 -0.099 0.000 1.047 97 K CA 1.412 57.679 56.287 -0.033 0.000 0.943 97 K CB -1.128 31.424 32.500 0.086 0.000 0.725 97 K HN 0.497 nan 8.250 nan 0.000 0.439 98 G N 0.904 109.502 108.800 -0.337 0.000 2.403 98 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.216 98 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.216 98 G C 0.237 175.013 174.900 -0.206 0.000 1.154 98 G CA 0.097 44.926 45.100 -0.451 0.000 0.784 98 G HN 0.280 nan 8.290 nan 0.000 0.538 99 Q N -0.237 119.455 119.800 -0.181 0.000 2.453 99 Q HA -0.216 4.124 4.340 -0.000 0.000 0.294 99 Q C 0.202 176.154 176.000 -0.080 0.000 1.295 99 Q CA 1.071 56.813 55.803 -0.103 0.000 0.853 99 Q CB -2.574 26.124 28.738 -0.066 0.000 1.193 99 Q HN 0.874 nan 8.270 nan 0.000 0.461 100 N N -1.288 117.350 118.700 -0.104 0.000 2.727 100 N HA -0.285 4.455 4.740 -0.000 0.000 0.249 100 N C 0.774 176.277 175.510 -0.011 0.000 1.048 100 N CA 1.010 54.024 53.050 -0.059 0.000 0.714 100 N CB -1.018 37.446 38.487 -0.037 0.000 0.959 100 N HN 0.850 nan 8.380 nan 0.000 0.544 101 G N -1.844 106.956 108.800 0.001 0.000 2.217 101 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.246 101 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.246 101 G C 1.025 175.946 174.900 0.036 0.000 0.990 101 G CA 0.594 45.729 45.100 0.059 0.000 0.627 101 G HN 0.810 nan 8.290 nan 0.000 0.522 102 A N -0.068 122.754 122.820 0.003 0.000 1.930 102 A HA 0.212 4.532 4.320 -0.000 0.000 0.217 102 A C 2.423 179.999 177.584 -0.013 0.000 1.175 102 A CA 2.794 54.828 52.037 -0.005 0.000 0.627 102 A CB -0.809 18.182 19.000 -0.016 0.000 0.815 102 A HN 0.769 nan 8.150 nan 0.000 0.443 103 T N 0.271 114.813 114.554 -0.020 0.000 2.674 103 T HA -0.149 4.201 4.350 -0.000 0.000 0.265 103 T C 1.862 176.535 174.700 -0.045 0.000 1.039 103 T CA 1.559 63.637 62.100 -0.036 0.000 1.150 103 T CB -0.442 68.404 68.868 -0.037 0.000 0.864 103 T HN 0.332 nan 8.240 nan 0.000 0.427 104 L N 1.565 122.778 121.223 -0.018 0.000 2.042 104 L HA -0.034 4.306 4.340 -0.000 0.000 0.210 104 L C 2.516 179.372 176.870 -0.023 0.000 1.076 104 L CA 1.832 56.656 54.840 -0.027 0.000 0.749 104 L CB -0.616 41.490 42.059 0.079 0.000 0.893 104 L HN 0.102 nan 8.230 nan 0.000 0.432 105 R N -0.498 120.002 120.500 0.000 0.000 2.083 105 R HA -0.181 4.159 4.340 -0.000 0.000 0.237 105 R C 2.150 178.447 176.300 -0.005 0.000 1.137 105 R CA 1.628 57.728 56.100 0.001 0.000 0.951 105 R CB -0.488 29.816 30.300 0.008 0.000 0.851 105 R HN 0.509 nan 8.270 nan 0.000 0.434 106 A N 0.945 123.757 122.820 -0.015 0.000 1.933 106 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 106 A C 2.214 179.785 177.584 -0.023 0.000 1.175 106 A CA 1.190 53.218 52.037 -0.016 0.000 0.628 106 A CB -0.469 18.517 19.000 -0.025 0.000 0.814 106 A HN 0.358 nan 8.150 nan 0.000 0.444 107 L N -0.307 120.888 121.223 -0.047 0.000 2.017 107 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 107 L C 2.332 179.185 176.870 -0.028 0.000 1.073 107 L CA 1.286 56.088 54.840 -0.063 0.000 0.745 107 L CB -0.651 41.333 42.059 -0.125 0.000 0.894 107 L HN 0.334 nan 8.230 nan 0.000 0.432 108 N N 0.249 118.929 118.700 -0.033 0.000 2.149 108 N HA -0.224 4.516 4.740 -0.000 0.000 0.188 108 N C 1.738 177.329 175.510 0.136 0.000 1.019 108 N CA 1.201 54.244 53.050 -0.012 0.000 0.857 108 N CB -0.234 38.154 38.487 -0.164 0.000 0.997 108 N HN 0.310 nan 8.380 nan 0.000 0.426 109 K N 1.130 121.581 120.400 0.087 0.000 2.097 109 K HA -0.119 4.201 4.320 -0.000 0.000 0.206 109 K C 1.811 178.453 176.600 0.069 0.000 1.049 109 K CA 1.131 57.470 56.287 0.086 0.000 0.933 109 K CB 0.061 32.589 32.500 0.047 0.000 0.717 109 K HN 0.249 nan 8.250 nan 0.000 0.442 110 Q N 0.322 120.149 119.800 0.046 0.000 2.084 110 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 110 Q C 2.215 178.249 176.000 0.057 0.000 0.978 110 Q CA 1.498 57.321 55.803 0.033 0.000 0.844 110 Q CB -0.051 28.690 28.738 0.006 0.000 0.898 110 Q HN 0.327 nan 8.270 nan 0.000 0.426 111 L N 0.002 121.282 121.223 0.095 0.000 2.027 111 L HA -0.151 4.189 4.340 -0.000 0.000 0.206 111 L C 2.544 179.490 176.870 0.127 0.000 1.074 111 L CA 0.992 55.912 54.840 0.134 0.000 0.745 111 L CB -0.658 41.517 42.059 0.194 0.000 0.898 111 L HN 0.182 nan 8.230 nan 0.000 0.433 112 A N 0.208 123.119 122.820 0.151 0.000 1.948 112 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 112 A C 1.900 179.491 177.584 0.012 0.000 1.177 112 A CA 2.002 54.049 52.037 0.016 0.000 0.636 112 A CB -0.617 18.392 19.000 0.015 0.000 0.815 112 A HN 0.464 nan 8.150 nan 0.000 0.449 113 N N -1.027 117.694 118.700 0.034 0.000 2.521 113 N HA 0.148 4.888 4.740 -0.000 0.000 0.188 113 N C 1.132 176.655 175.510 0.022 0.000 1.146 113 N CA 1.174 54.237 53.050 0.022 0.000 0.893 113 N CB 0.452 38.952 38.487 0.022 0.000 0.975 113 N HN 0.706 nan 8.380 nan 0.000 0.451 114 G N -0.839 107.981 108.800 0.033 0.000 2.284 114 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.201 114 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.201 114 G C 0.272 175.198 174.900 0.043 0.000 0.998 114 G CA -0.081 45.040 45.100 0.035 0.000 0.651 114 G HN 0.543 nan 8.290 nan 0.000 0.489 115 A N 0.634 123.480 122.820 0.043 0.000 2.565 115 A HA 0.485 4.805 4.320 -0.000 0.000 0.237 115 A C 1.177 178.809 177.584 0.080 0.000 1.053 115 A CA 1.395 53.457 52.037 0.043 0.000 0.755 115 A CB 0.141 19.160 19.000 0.032 0.000 0.980 115 A HN 0.509 nan 8.150 nan 0.000 0.506 116 E N 0.336 120.581 120.200 0.075 0.000 2.170 116 E HA 0.001 4.351 4.350 -0.000 0.000 0.191 116 E C 0.608 177.325 176.600 0.196 0.000 0.981 116 E CA 1.293 57.787 56.400 0.157 0.000 0.830 116 E CB 0.081 29.801 29.700 0.033 0.000 0.775 116 E HN 0.893 nan 8.360 nan 0.000 0.470 117 T N -1.518 113.089 114.554 0.089 0.000 2.896 117 T HA 0.574 4.924 4.350 -0.000 0.000 0.297 117 T C -0.370 174.333 174.700 0.005 0.000 1.108 117 T CA -0.952 61.188 62.100 0.066 0.000 1.004 117 T CB 2.049 70.938 68.868 0.034 0.000 1.159 117 T HN -0.041 nan 8.240 nan 0.000 0.499 118 V N -0.856 119.036 119.914 -0.037 0.000 3.160 118 V HA 0.769 4.888 4.120 -0.000 0.000 0.310 118 V C -0.942 175.058 176.094 -0.156 0.000 1.181 118 V CA -1.237 61.012 62.300 -0.084 0.000 1.047 118 V CB 1.946 33.720 31.823 -0.082 0.000 1.068 118 V HN 1.010 nan 8.190 nan 0.000 0.441 119 N N 2.968 121.564 118.700 -0.172 0.000 2.462 119 N HA 0.507 5.247 4.740 -0.000 0.000 0.242 119 N C -1.943 173.372 175.510 -0.326 0.000 1.010 119 N CA -2.116 50.800 53.050 -0.224 0.000 0.939 119 N CB 1.447 39.841 38.487 -0.154 0.000 1.127 119 N HN 0.681 nan 8.380 nan 0.000 0.509 120 P HA 0.222 nan 4.420 nan 0.000 0.258 120 P C 1.066 178.021 177.300 -0.574 0.000 1.416 120 P CA -0.139 62.497 63.100 -0.773 0.000 0.927 120 P CB 0.086 30.774 31.700 -1.687 0.000 1.444 121 G N 1.672 110.258 108.800 -0.356 0.000 2.485 121 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.221 121 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.221 121 G C 1.334 176.166 174.900 -0.114 0.000 1.115 121 G CA 0.510 45.495 45.100 -0.191 0.000 0.751 121 G HN 0.258 nan 8.290 nan 0.000 0.567 122 N N 0.122 118.749 118.700 -0.121 0.000 2.515 122 N HA 0.044 4.784 4.740 -0.000 0.000 0.185 122 N C 0.786 176.287 175.510 -0.016 0.000 1.109 122 N CA 0.170 53.184 53.050 -0.060 0.000 0.903 122 N CB 0.078 38.528 38.487 -0.062 0.000 0.969 122 N HN 0.274 nan 8.380 nan 0.000 0.450 123 L N 1.707 122.894 121.223 -0.059 0.000 2.536 123 L HA 0.182 4.522 4.340 -0.000 0.000 0.242 123 L C 0.304 177.230 176.870 0.093 0.000 1.280 123 L CA -0.204 54.622 54.840 -0.024 0.000 1.221 123 L CB -0.515 41.274 42.059 -0.451 0.000 1.449 123 L HN 0.037 nan 8.230 nan 0.000 0.405 124 T N -2.636 111.996 114.554 0.130 0.000 2.865 124 T HA 0.932 5.282 4.350 -0.000 0.000 0.294 124 T C -0.109 174.642 174.700 0.084 0.000 1.119 124 T CA -0.370 61.747 62.100 0.029 0.000 1.007 124 T CB 2.818 71.688 68.868 0.005 0.000 1.225 124 T HN 0.313 nan 8.240 nan 0.000 0.515 125 G N -1.609 107.184 108.800 -0.010 0.000 2.494 125 G HA2 0.569 4.529 3.960 -0.000 0.000 0.308 125 G HA3 0.569 4.529 3.960 -0.000 0.000 0.308 125 G C 0.382 175.284 174.900 0.002 0.000 1.263 125 G CA 0.004 45.115 45.100 0.018 0.000 0.840 125 G HN 2.031 nan 8.290 nan 0.000 0.479 126 G N -0.664 108.095 108.800 -0.067 0.000 2.273 126 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.280 126 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.280 126 G C 0.636 175.840 174.900 0.506 0.000 1.047 126 G CA 1.301 46.518 45.100 0.196 0.000 0.869 126 G HN 0.802 nan 8.290 nan 0.000 0.502 127 E N -0.242 120.155 120.200 0.328 0.000 2.208 127 E HA -0.005 4.345 4.350 -0.000 0.000 0.193 127 E C 1.328 178.114 176.600 0.309 0.000 0.988 127 E CA 0.616 57.190 56.400 0.291 0.000 0.828 127 E CB 0.132 29.945 29.700 0.188 0.000 0.763 127 E HN 0.457 nan 8.360 nan 0.000 0.478 128 N N 0.435 119.350 118.700 0.359 0.000 2.437 128 N HA 0.170 4.910 4.740 -0.000 0.000 0.243 128 N C 0.204 175.857 175.510 0.239 0.000 1.041 128 N CA 0.048 53.262 53.050 0.273 0.000 0.940 128 N CB 1.179 39.823 38.487 0.262 0.000 1.133 128 N HN 0.051 nan 8.380 nan 0.000 0.506 129 A N 3.609 126.531 122.820 0.170 0.000 2.067 129 A HA -0.021 4.299 4.320 -0.000 0.000 0.219 129 A C 1.965 179.542 177.584 -0.011 0.000 1.158 129 A CA 1.570 53.659 52.037 0.087 0.000 0.661 129 A CB -0.419 18.650 19.000 0.114 0.000 0.801 129 A HN 0.704 nan 8.150 nan 0.000 0.452 130 A N -0.227 122.608 122.820 0.025 0.000 1.969 130 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 130 A C 1.913 179.485 177.584 -0.020 0.000 1.169 130 A CA 1.446 53.482 52.037 -0.001 0.000 0.635 130 A CB -0.328 18.688 19.000 0.027 0.000 0.810 130 A HN 0.620 nan 8.150 nan 0.000 0.445 131 E N -0.860 119.366 120.200 0.044 0.000 2.112 131 E HA -0.185 4.165 4.350 -0.000 0.000 0.190 131 E C 2.218 178.685 176.600 -0.222 0.000 0.979 131 E CA 1.014 57.488 56.400 0.124 0.000 0.814 131 E CB -0.123 29.889 29.700 0.520 0.000 0.762 131 E HN 0.796 nan 8.360 nan 0.000 0.460 132 Q N 0.459 119.849 119.800 -0.684 0.000 2.020 132 Q HA -0.097 4.242 4.340 -0.000 0.000 0.202 132 Q C 0.936 176.644 176.000 -0.486 0.000 0.982 132 Q CA 1.412 56.418 55.803 -1.328 0.000 0.838 132 Q CB -0.088 28.008 28.738 -1.071 0.000 0.899 132 Q HN 0.232 nan 8.270 nan 0.000 0.423 133 G N 1.015 109.670 108.800 -0.243 0.000 2.697 133 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.240 133 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.240 133 G C -0.745 174.139 174.900 -0.027 0.000 1.346 133 G CA -0.066 44.997 45.100 -0.061 0.000 0.887 133 G HN 0.839 nan 8.290 nan 0.000 0.569 134 N N -2.683 115.979 118.700 -0.063 0.000 3.185 134 N HA 0.463 5.203 4.740 -0.000 0.000 0.238 134 N C -1.177 173.708 175.510 -1.041 0.000 1.451 134 N CA -0.760 52.018 53.050 -0.454 0.000 0.888 134 N CB 0.616 38.893 38.487 -0.349 0.000 1.413 134 N HN 1.108 nan 8.380 nan 0.000 0.511 135 Y N 0.750 120.025 120.300 -1.709 0.000 2.425 135 Y HA 0.507 5.057 4.550 -0.000 0.000 0.331 135 Y C -0.421 175.000 175.900 -0.799 0.000 1.157 135 Y CA -0.413 56.732 58.100 -1.592 0.000 1.372 135 Y CB 0.414 38.114 38.460 -1.268 0.000 1.253 135 Y HN 0.488 nan 8.280 nan 0.000 0.536 136 L N 5.837 126.410 121.223 -1.083 0.000 2.317 136 L HA 0.286 4.626 4.340 -0.000 0.000 0.281 136 L C -0.129 176.215 176.870 -0.876 0.000 1.024 136 L CA -1.139 53.202 54.840 -0.832 0.000 0.810 136 L CB 1.355 42.930 42.059 -0.807 0.000 1.240 136 L HN 0.677 nan 8.230 nan 0.000 0.427 137 N N 1.761 120.142 118.700 -0.531 0.000 2.454 137 N HA -0.130 4.610 4.740 -0.000 0.000 0.260 137 N C 0.560 176.003 175.510 -0.112 0.000 1.218 137 N CA 0.146 53.002 53.050 -0.324 0.000 0.904 137 N CB 0.760 39.104 38.487 -0.239 0.000 1.065 137 N HN 0.636 nan 8.380 nan 0.000 0.462 138 W N 4.326 125.515 121.300 -0.186 0.000 2.408 138 W HA 0.146 4.806 4.660 -0.000 0.000 0.311 138 W C 0.524 177.101 176.519 0.096 0.000 1.190 138 W CA 1.949 59.281 57.345 -0.021 0.000 1.321 138 W CB -0.634 28.911 29.460 0.142 0.000 1.143 138 W HN 0.644 nan 8.180 nan 0.000 0.501 139 G N -0.359 108.724 108.800 0.472 0.000 2.498 139 G HA2 0.199 4.159 3.960 -0.000 0.000 0.181 139 G HA3 0.199 4.159 3.960 -0.000 0.000 0.181 139 G C -2.052 172.982 174.900 0.223 0.000 1.169 139 G CA -0.554 44.719 45.100 0.288 0.000 0.992 139 G HN 0.038 nan 8.290 nan 0.000 0.490 140 D N -0.766 119.723 120.400 0.147 0.000 2.661 140 D HA 0.595 5.235 4.640 -0.000 0.000 0.228 140 D C -0.741 175.526 176.300 -0.055 0.000 1.183 140 D CA -0.410 53.587 54.000 -0.005 0.000 0.844 140 D CB 2.638 43.279 40.800 -0.266 0.000 1.555 140 D HN 0.434 nan 8.370 nan 0.000 0.453 141 I N 1.966 122.469 120.570 -0.111 0.000 2.315 141 I HA 0.277 4.447 4.170 -0.000 0.000 0.291 141 I C -0.878 175.126 176.117 -0.188 0.000 1.006 141 I CA -0.509 60.741 61.300 -0.083 0.000 1.265 141 I CB 0.482 38.466 38.000 -0.027 0.000 1.387 141 I HN 0.230 nan 8.210 nan 0.000 0.475 142 Y N 6.463 126.775 120.300 0.020 0.000 2.341 142 Y HA 0.547 5.097 4.550 -0.000 0.000 0.337 142 Y C -0.218 175.712 175.900 0.050 0.000 1.014 142 Y CA -0.621 57.488 58.100 0.015 0.000 1.111 142 Y CB 1.483 39.933 38.460 -0.018 0.000 1.194 142 Y HN 0.329 nan 8.280 nan 0.000 0.462 143 L N 4.244 125.598 121.223 0.218 0.000 2.384 143 L HA 0.313 4.653 4.340 -0.000 0.000 0.261 143 L C -0.876 176.118 176.870 0.208 0.000 1.024 143 L CA -0.516 54.423 54.840 0.165 0.000 0.899 143 L CB 0.861 42.948 42.059 0.046 0.000 1.243 143 L HN 0.544 nan 8.230 nan 0.000 0.449 144 D N 1.222 121.716 120.400 0.156 0.000 2.347 144 D HA 0.119 4.759 4.640 -0.000 0.000 0.235 144 D C 0.385 176.680 176.300 -0.007 0.000 1.149 144 D CA -0.055 54.001 54.000 0.094 0.000 0.850 144 D CB 0.986 41.800 40.800 0.024 0.000 1.061 144 D HN 0.316 nan 8.370 nan 0.000 0.487 145 Y N 1.703 121.849 120.300 -0.257 0.000 2.523 145 Y HA 0.124 4.674 4.550 -0.000 0.000 0.279 145 Y C 2.054 177.572 175.900 -0.637 0.000 1.139 145 Y CA 0.321 58.077 58.100 -0.572 0.000 1.296 145 Y CB 0.474 38.232 38.460 -1.169 0.000 1.045 145 Y HN 0.676 nan 8.280 nan 0.000 0.538 146 G N 0.803 109.455 108.800 -0.248 0.000 2.323 146 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.292 146 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.292 146 G C -0.317 174.535 174.900 -0.079 0.000 1.040 146 G CA -0.231 44.787 45.100 -0.136 0.000 0.942 146 G HN 0.143 nan 8.290 nan 0.000 0.506 147 F N 0.258 120.199 119.950 -0.014 0.000 2.484 147 F HA 0.267 4.794 4.527 -0.000 0.000 0.360 147 F C 1.668 177.474 175.800 0.009 0.000 1.101 147 F CA -1.065 56.900 58.000 -0.058 0.000 1.251 147 F CB 0.510 39.344 39.000 -0.278 0.000 1.132 147 F HN 0.017 nan 8.300 nan 0.000 0.570 148 N N 1.236 120.101 118.700 0.275 0.000 2.166 148 N HA -0.138 4.602 4.740 -0.000 0.000 0.186 148 N C -0.098 175.499 175.510 0.144 0.000 1.019 148 N CA 1.376 54.527 53.050 0.169 0.000 0.856 148 N CB -0.362 38.214 38.487 0.147 0.000 0.993 148 N HN 0.751 nan 8.380 nan 0.000 0.426 149 D N -2.798 117.717 120.400 0.190 0.000 2.857 149 D HA 0.185 4.825 4.640 -0.000 0.000 0.227 149 D C 0.177 176.572 176.300 0.157 0.000 1.192 149 D CA -0.751 53.328 54.000 0.133 0.000 0.857 149 D CB 1.027 41.878 40.800 0.085 0.000 1.645 149 D HN -0.077 nan 8.370 nan 0.000 0.482 150 T N -1.534 113.057 114.554 0.062 0.000 3.144 150 T HA 0.118 4.468 4.350 -0.000 0.000 0.249 150 T C 0.561 175.245 174.700 -0.026 0.000 1.089 150 T CA -0.257 61.836 62.100 -0.012 0.000 0.989 150 T CB -0.614 68.219 68.868 -0.057 0.000 0.992 150 T HN 0.411 nan 8.240 nan 0.000 0.540 151 T N 3.672 118.237 114.554 0.018 0.000 2.871 151 T HA 0.403 4.753 4.350 -0.000 0.000 0.296 151 T C 0.243 174.957 174.700 0.023 0.000 0.998 151 T CA -0.134 61.965 62.100 -0.002 0.000 1.162 151 T CB 0.338 69.199 68.868 -0.011 0.000 0.947 151 T HN 0.542 nan 8.240 nan 0.000 0.536 152 V N 0.934 120.862 119.914 0.024 0.000 3.159 152 V HA 0.970 5.090 4.120 -0.000 0.000 0.308 152 V C -0.163 175.999 176.094 0.112 0.000 1.190 152 V CA -1.155 61.207 62.300 0.103 0.000 1.037 152 V CB 2.139 34.060 31.823 0.162 0.000 1.060 152 V HN 0.897 nan 8.190 nan 0.000 0.437 153 T N -1.977 112.671 114.554 0.157 0.000 2.907 153 T HA 0.694 5.044 4.350 -0.000 0.000 0.290 153 T C -0.088 174.733 174.700 0.202 0.000 1.066 153 T CA 0.161 62.349 62.100 0.147 0.000 1.012 153 T CB 1.670 70.592 68.868 0.090 0.000 1.184 153 T HN 1.309 nan 8.240 nan 0.000 0.522 154 E N -1.143 119.160 120.200 0.172 0.000 2.586 154 E HA -0.242 4.108 4.350 -0.000 0.000 0.259 154 E C -1.065 175.654 176.600 0.200 0.000 1.107 154 E CA 0.268 56.760 56.400 0.154 0.000 0.754 154 E CB -1.929 27.828 29.700 0.094 0.000 1.335 154 E HN 0.683 nan 8.360 nan 0.000 0.411 155 Y N 1.356 121.758 120.300 0.169 0.000 2.377 155 Y HA 0.286 4.836 4.550 -0.000 0.000 0.330 155 Y C 0.380 176.395 175.900 0.192 0.000 1.108 155 Y CA 0.119 58.344 58.100 0.208 0.000 1.308 155 Y CB 0.658 39.214 38.460 0.160 0.000 1.216 155 Y HN 0.080 nan 8.280 nan 0.000 0.518 156 R N 6.252 126.511 120.500 -0.402 0.000 2.626 156 R HA 0.479 4.819 4.340 -0.000 0.000 0.274 156 R C -1.527 174.538 176.300 -0.391 0.000 1.031 156 R CA -1.018 54.993 56.100 -0.149 0.000 0.898 156 R CB 1.394 31.719 30.300 0.042 0.000 1.222 156 R HN 0.918 nan 8.270 nan 0.000 0.455 157 R N 1.190 121.662 120.500 -0.047 0.000 2.740 157 R HA 0.587 4.927 4.340 -0.000 0.000 0.282 157 R C -1.533 174.802 176.300 0.059 0.000 0.969 157 R CA -0.841 55.253 56.100 -0.010 0.000 0.918 157 R CB 1.931 32.310 30.300 0.132 0.000 1.175 157 R HN 0.697 nan 8.270 nan 0.000 0.464 158 D N 0.863 121.193 120.400 -0.116 0.000 2.599 158 D HA 0.345 4.985 4.640 -0.000 0.000 0.252 158 D C -1.552 174.576 176.300 -0.286 0.000 1.232 158 D CA -0.906 52.966 54.000 -0.213 0.000 0.819 158 D CB 1.460 41.889 40.800 -0.619 0.000 1.401 158 D HN 0.376 nan 8.370 nan 0.000 0.429 159 L N 1.445 122.498 121.223 -0.283 0.000 2.316 159 L HA 0.473 4.813 4.340 -0.000 0.000 0.280 159 L C -1.017 175.617 176.870 -0.394 0.000 1.006 159 L CA -0.552 54.104 54.840 -0.306 0.000 0.836 159 L CB 1.180 43.079 42.059 -0.265 0.000 1.221 159 L HN 0.570 nan 8.230 nan 0.000 0.418 160 N N 5.179 123.623 118.700 -0.425 0.000 2.482 160 N HA 0.141 4.881 4.740 -0.000 0.000 0.242 160 N C 0.949 176.341 175.510 -0.197 0.000 1.100 160 N CA -0.004 52.878 53.050 -0.280 0.000 0.946 160 N CB 0.606 38.949 38.487 -0.240 0.000 1.227 160 N HN 0.764 nan 8.380 nan 0.000 0.508 161 L N 1.602 122.701 121.223 -0.208 0.000 2.131 161 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 161 L C 1.981 178.522 176.870 -0.548 0.000 1.092 161 L CA 0.834 55.484 54.840 -0.317 0.000 0.759 161 L CB -0.295 41.664 42.059 -0.165 0.000 0.903 161 L HN 0.411 nan 8.230 nan 0.000 0.435 162 S N -0.322 115.158 115.700 -0.366 0.000 2.406 162 S HA -0.101 4.369 4.470 -0.000 0.000 0.228 162 S C 1.810 176.397 174.600 -0.022 0.000 1.020 162 S CA 1.142 59.187 58.200 -0.258 0.000 0.965 162 S CB 0.001 63.245 63.200 0.073 0.000 0.798 162 S HN 0.405 nan 8.310 nan 0.000 0.488 163 K N 0.061 120.427 120.400 -0.057 0.000 2.355 163 K HA 0.252 4.572 4.320 -0.000 0.000 0.198 163 K C 0.777 177.212 176.600 -0.275 0.000 1.039 163 K CA 0.344 56.581 56.287 -0.084 0.000 1.075 163 K CB 0.660 33.132 32.500 -0.048 0.000 0.870 163 K HN 0.336 nan 8.250 nan 0.000 0.540 164 G N 3.435 111.957 108.800 -0.464 0.000 2.298 164 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.287 164 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.287 164 G C -0.420 174.489 174.900 0.015 0.000 1.075 164 G CA 0.874 45.598 45.100 -0.627 0.000 0.960 164 G HN 0.378 nan 8.290 nan 0.000 0.502 165 K N -1.492 118.899 120.400 -0.014 0.000 2.508 165 K HA 0.855 5.175 4.320 -0.000 0.000 0.260 165 K C -0.420 176.118 176.600 -0.105 0.000 0.949 165 K CA -0.583 55.697 56.287 -0.011 0.000 0.834 165 K CB 1.945 34.458 32.500 0.022 0.000 1.365 165 K HN 1.051 nan 8.250 nan 0.000 0.437 166 A N 2.149 124.890 122.820 -0.132 0.000 2.305 166 A HA 0.491 4.811 4.320 -0.000 0.000 0.322 166 A C -1.081 176.462 177.584 -0.068 0.000 1.187 166 A CA -0.665 51.314 52.037 -0.097 0.000 0.825 166 A CB 0.548 19.540 19.000 -0.014 0.000 1.164 166 A HN 0.781 nan 8.150 nan 0.000 0.498 167 D N 0.917 121.226 120.400 -0.150 0.000 2.457 167 D HA 0.558 5.198 4.640 -0.000 0.000 0.240 167 D C -1.042 175.186 176.300 -0.121 0.000 1.041 167 D CA -0.134 53.758 54.000 -0.180 0.000 0.861 167 D CB 2.220 42.826 40.800 -0.322 0.000 1.394 167 D HN 0.217 nan 8.370 nan 0.000 0.473 168 V N 0.613 120.466 119.914 -0.103 0.000 2.709 168 V HA 0.615 4.735 4.120 -0.000 0.000 0.308 168 V C -0.087 175.916 176.094 -0.151 0.000 1.062 168 V CA -0.511 61.737 62.300 -0.087 0.000 0.901 168 V CB 2.176 34.057 31.823 0.098 0.000 1.003 168 V HN 0.602 nan 8.190 nan 0.000 0.425 169 T N 4.426 118.845 114.554 -0.225 0.000 2.916 169 T HA 0.880 5.230 4.350 -0.000 0.000 0.305 169 T C -1.478 173.147 174.700 -0.124 0.000 1.119 169 T CA -0.341 61.627 62.100 -0.220 0.000 1.008 169 T CB 1.207 69.969 68.868 -0.177 0.000 1.129 169 T HN 0.805 nan 8.240 nan 0.000 0.480 170 F N 0.476 120.399 119.950 -0.045 0.000 2.773 170 F HA 0.712 5.239 4.527 -0.000 0.000 0.314 170 F C -1.318 174.560 175.800 0.129 0.000 1.160 170 F CA -1.316 56.731 58.000 0.078 0.000 0.920 170 F CB 1.442 40.593 39.000 0.251 0.000 1.323 170 F HN 0.486 nan 8.300 nan 0.000 0.457 171 K N 1.061 121.662 120.400 0.336 0.000 2.307 171 K HA 0.405 4.725 4.320 -0.000 0.000 0.263 171 K C -2.008 174.792 176.600 0.333 0.000 0.973 171 K CA -0.698 55.715 56.287 0.210 0.000 0.846 171 K CB 0.920 33.480 32.500 0.100 0.000 1.100 171 K HN 0.929 nan 8.250 nan 0.000 0.438 172 H N 3.256 122.477 119.070 0.251 0.000 2.646 172 H HA 0.139 4.695 4.556 -0.000 0.000 0.328 172 H C -0.888 174.490 175.328 0.084 0.000 0.998 172 H CA -0.096 56.031 56.048 0.132 0.000 1.225 172 H CB 0.974 30.709 29.762 -0.045 0.000 1.457 172 H HN 0.805 nan 8.280 nan 0.000 0.505 173 D N 4.064 124.241 120.400 -0.372 0.000 2.686 173 D HA -0.194 4.446 4.640 -0.000 0.000 0.235 173 D C 1.193 177.456 176.300 -0.062 0.000 1.160 173 D CA 2.265 56.111 54.000 -0.256 0.000 0.645 173 D CB -1.263 39.319 40.800 -0.363 0.000 1.039 173 D HN 1.198 nan 8.370 nan 0.000 0.423 174 G N -2.067 106.712 108.800 -0.035 0.000 2.234 174 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.260 174 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.260 174 G C 0.381 175.264 174.900 -0.028 0.000 0.987 174 G CA 0.363 45.453 45.100 -0.018 0.000 0.625 174 G HN 1.077 nan 8.290 nan 0.000 0.532 175 V N 1.668 121.572 119.914 -0.017 0.000 2.427 175 V HA 0.601 4.721 4.120 -0.000 0.000 0.286 175 V C 0.617 176.544 176.094 -0.279 0.000 1.034 175 V CA -0.177 62.019 62.300 -0.174 0.000 0.893 175 V CB 1.598 33.270 31.823 -0.252 0.000 0.982 175 V HN 0.237 nan 8.190 nan 0.000 0.452 176 T N 5.143 119.496 114.554 -0.335 0.000 2.749 176 T HA 0.469 4.818 4.350 -0.000 0.000 0.295 176 T C -0.701 173.654 174.700 -0.575 0.000 0.936 176 T CA 0.240 62.143 62.100 -0.328 0.000 1.060 176 T CB -0.092 68.656 68.868 -0.201 0.000 0.904 176 T HN 0.450 nan 8.240 nan 0.000 0.500 177 Y N 2.057 122.081 120.300 -0.460 0.000 2.341 177 Y HA 0.518 5.068 4.550 -0.000 0.000 0.337 177 Y C 1.038 176.594 175.900 -0.573 0.000 1.014 177 Y CA -0.907 56.873 58.100 -0.532 0.000 1.111 177 Y CB 1.635 39.592 38.460 -0.838 0.000 1.194 177 Y HN 0.640 nan 8.280 nan 0.000 0.462 178 T N 1.652 116.089 114.554 -0.195 0.000 2.893 178 T HA 0.806 5.156 4.350 -0.000 0.000 0.291 178 T C -0.747 173.856 174.700 -0.162 0.000 1.028 178 T CA -1.170 60.814 62.100 -0.194 0.000 0.995 178 T CB 1.634 70.403 68.868 -0.165 0.000 1.051 178 T HN 0.663 nan 8.240 nan 0.000 0.470 179 R N 1.354 121.736 120.500 -0.197 0.000 2.686 179 R HA 0.670 5.010 4.340 -0.000 0.000 0.286 179 R C -1.002 175.043 176.300 -0.424 0.000 0.969 179 R CA -0.943 54.953 56.100 -0.341 0.000 0.898 179 R CB 2.450 32.567 30.300 -0.305 0.000 1.183 179 R HN 0.856 nan 8.270 nan 0.000 0.456 180 E N 2.445 122.290 120.200 -0.591 0.000 2.292 180 E HA 0.355 4.705 4.350 -0.000 0.000 0.272 180 E C -1.645 174.572 176.600 -0.639 0.000 0.881 180 E CA -0.659 55.488 56.400 -0.421 0.000 0.754 180 E CB 1.487 31.108 29.700 -0.132 0.000 1.201 180 E HN 0.506 nan 8.360 nan 0.000 0.425 181 Y N 3.481 123.635 120.300 -0.242 0.000 2.406 181 Y HA 0.543 5.093 4.550 -0.000 0.000 0.340 181 Y C -0.516 174.988 175.900 -0.660 0.000 0.975 181 Y CA -0.905 56.883 58.100 -0.519 0.000 1.056 181 Y CB 1.393 39.444 38.460 -0.683 0.000 1.210 181 Y HN 0.458 nan 8.280 nan 0.000 0.448 182 F N -0.236 119.426 119.950 -0.480 0.000 2.686 182 F HA 0.978 5.505 4.527 -0.000 0.000 0.311 182 F C -1.505 174.260 175.800 -0.059 0.000 1.128 182 F CA -1.905 55.836 58.000 -0.431 0.000 0.946 182 F CB 1.295 40.020 39.000 -0.457 0.000 1.336 182 F HN 0.514 nan 8.300 nan 0.000 0.457 183 A N 1.614 124.648 122.820 0.356 0.000 2.332 183 A HA 0.642 4.962 4.320 -0.000 0.000 0.300 183 A C -0.796 176.939 177.584 0.251 0.000 1.153 183 A CA -0.577 51.658 52.037 0.329 0.000 0.764 183 A CB 0.906 20.149 19.000 0.405 0.000 1.174 183 A HN 0.981 nan 8.150 nan 0.000 0.467 184 S N 1.767 117.623 115.700 0.261 0.000 2.489 184 S HA 0.134 4.604 4.470 -0.000 0.000 0.277 184 S C 1.103 175.886 174.600 0.305 0.000 1.230 184 S CA -0.546 57.871 58.200 0.362 0.000 1.053 184 S CB 0.404 63.833 63.200 0.382 0.000 0.955 184 S HN 0.785 nan 8.310 nan 0.000 0.488 185 N N 5.017 123.912 118.700 0.324 0.000 2.109 185 N HA 0.017 4.757 4.740 -0.000 0.000 0.188 185 N C -1.129 174.487 175.510 0.177 0.000 1.034 185 N CA 1.159 54.339 53.050 0.217 0.000 0.846 185 N CB -1.023 37.579 38.487 0.192 0.000 1.010 185 N HN 0.467 nan 8.380 nan 0.000 0.425 186 P HA -0.089 nan 4.420 nan 0.000 0.216 186 P C 0.318 177.697 177.300 0.132 0.000 1.154 186 P CA 1.481 64.663 63.100 0.137 0.000 0.865 186 P CB -0.046 31.733 31.700 0.132 0.000 0.789 187 D N -2.962 117.535 120.400 0.161 0.000 2.369 187 D HA 0.030 4.670 4.640 -0.000 0.000 0.211 187 D C 0.151 176.537 176.300 0.143 0.000 1.077 187 D CA 0.037 54.122 54.000 0.143 0.000 0.842 187 D CB -0.567 40.326 40.800 0.155 0.000 0.947 187 D HN 0.007 nan 8.370 nan 0.000 0.509 188 N N 0.800 119.593 118.700 0.155 0.000 2.738 188 N HA -0.194 4.546 4.740 -0.000 0.000 0.249 188 N C -1.407 174.189 175.510 0.143 0.000 1.047 188 N CA 0.267 53.401 53.050 0.139 0.000 0.707 188 N CB -1.169 37.385 38.487 0.113 0.000 0.937 188 N HN 0.108 nan 8.380 nan 0.000 0.545 189 V N 0.898 120.914 119.914 0.171 0.000 2.932 189 V HA 0.566 4.686 4.120 -0.000 0.000 0.307 189 V C -0.351 175.841 176.094 0.162 0.000 1.147 189 V CA -0.885 61.521 62.300 0.176 0.000 0.951 189 V CB 1.949 33.898 31.823 0.211 0.000 1.031 189 V HN 0.329 nan 8.190 nan 0.000 0.426 190 M N 6.434 126.126 119.600 0.152 0.000 2.233 190 M HA 0.739 5.219 4.480 -0.000 0.000 0.355 190 M C -1.751 174.515 176.300 -0.056 0.000 1.191 190 M CA -0.145 55.227 55.300 0.121 0.000 1.101 190 M CB 1.485 34.255 32.600 0.284 0.000 1.592 190 M HN 0.501 nan 8.290 nan 0.000 0.461 191 V N 4.050 123.740 119.914 -0.373 0.000 2.604 191 V HA 0.842 4.962 4.120 -0.000 0.000 0.305 191 V C -0.594 175.203 176.094 -0.496 0.000 1.043 191 V CA -0.799 61.144 62.300 -0.595 0.000 0.888 191 V CB 1.654 32.846 31.823 -1.051 0.000 0.995 191 V HN 0.949 nan 8.190 nan 0.000 0.429 192 A N 3.946 126.547 122.820 -0.365 0.000 2.332 192 A HA 0.842 5.162 4.320 -0.000 0.000 0.300 192 A C -0.617 176.734 177.584 -0.388 0.000 1.153 192 A CA -0.706 51.134 52.037 -0.329 0.000 0.764 192 A CB 1.087 20.030 19.000 -0.095 0.000 1.174 192 A HN 0.735 nan 8.150 nan 0.000 0.467 193 R N 2.762 123.007 120.500 -0.425 0.000 2.246 193 R HA 0.680 5.020 4.340 -0.000 0.000 0.332 193 R C -1.568 174.520 176.300 -0.353 0.000 0.974 193 R CA -0.208 55.647 56.100 -0.409 0.000 0.837 193 R CB 0.041 30.099 30.300 -0.404 0.000 1.145 193 R HN 0.628 nan 8.270 nan 0.000 0.467 194 L N 3.021 124.083 121.223 -0.269 0.000 2.365 194 L HA 0.644 4.984 4.340 -0.000 0.000 0.273 194 L C -0.250 176.575 176.870 -0.075 0.000 1.000 194 L CA -0.786 53.948 54.840 -0.177 0.000 0.819 194 L CB 2.511 44.434 42.059 -0.225 0.000 1.284 194 L HN 0.577 nan 8.230 nan 0.000 0.418 195 T N 1.451 115.995 114.554 -0.017 0.000 2.933 195 T HA 0.771 5.121 4.350 -0.000 0.000 0.305 195 T C -1.251 173.473 174.700 0.041 0.000 1.092 195 T CA -0.446 61.645 62.100 -0.015 0.000 1.008 195 T CB 2.122 70.938 68.868 -0.086 0.000 1.102 195 T HN 0.699 nan 8.240 nan 0.000 0.469 196 A N 1.113 123.931 122.820 -0.002 0.000 2.401 196 A HA 0.673 4.993 4.320 -0.000 0.000 0.310 196 A C 1.016 178.494 177.584 -0.177 0.000 1.075 196 A CA -0.325 51.611 52.037 -0.168 0.000 0.746 196 A CB 1.254 20.218 19.000 -0.060 0.000 1.277 196 A HN 0.932 nan 8.150 nan 0.000 0.425 197 S N 0.596 116.138 115.700 -0.263 0.000 2.515 197 S HA 0.037 4.507 4.470 -0.000 0.000 0.231 197 S C 0.602 175.137 174.600 -0.110 0.000 0.987 197 S CA 1.028 59.128 58.200 -0.166 0.000 0.936 197 S CB -0.198 62.897 63.200 -0.175 0.000 0.766 197 S HN 0.679 nan 8.310 nan 0.000 0.528 198 K N 1.207 121.545 120.400 -0.103 0.000 2.426 198 K HA 0.626 4.946 4.320 -0.000 0.000 0.254 198 K C -0.540 176.050 176.600 -0.015 0.000 0.936 198 K CA -0.702 55.557 56.287 -0.047 0.000 0.801 198 K CB 1.772 34.252 32.500 -0.034 0.000 1.139 198 K HN 0.164 nan 8.250 nan 0.000 0.424 199 A N 2.192 125.009 122.820 -0.005 0.000 2.587 199 A HA 0.326 4.646 4.320 -0.000 0.000 0.233 199 A C 1.230 178.829 177.584 0.026 0.000 1.049 199 A CA 1.358 53.400 52.037 0.009 0.000 0.754 199 A CB -0.616 18.387 19.000 0.005 0.000 0.977 199 A HN 1.275 nan 8.150 nan 0.000 0.509 200 G N 1.291 110.112 108.800 0.035 0.000 2.205 200 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.261 200 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.261 200 G C 0.846 175.795 174.900 0.082 0.000 0.980 200 G CA 0.743 45.870 45.100 0.046 0.000 0.632 200 G HN 0.698 nan 8.290 nan 0.000 0.533 201 K N -0.683 119.784 120.400 0.110 0.000 2.393 201 K HA 0.320 4.640 4.320 -0.000 0.000 0.193 201 K C 0.849 177.648 176.600 0.331 0.000 1.026 201 K CA -0.109 56.302 56.287 0.207 0.000 1.064 201 K CB 0.153 32.760 32.500 0.179 0.000 0.833 201 K HN 0.471 nan 8.250 nan 0.000 0.521 202 L N 2.971 124.342 121.223 0.246 0.000 2.295 202 L HA 0.221 4.560 4.340 -0.000 0.000 0.288 202 L C -1.041 175.905 176.870 0.126 0.000 1.079 202 L CA 0.147 55.162 54.840 0.291 0.000 0.830 202 L CB 0.016 42.234 42.059 0.264 0.000 1.200 202 L HN 0.049 nan 8.230 nan 0.000 0.438 203 N N 6.669 125.413 118.700 0.074 0.000 2.430 203 N HA 0.586 5.326 4.740 -0.000 0.000 0.290 203 N C -1.343 174.041 175.510 -0.210 0.000 1.063 203 N CA -0.212 52.770 53.050 -0.113 0.000 0.883 203 N CB 2.032 40.483 38.487 -0.060 0.000 1.465 203 N HN 0.467 nan 8.380 nan 0.000 0.493 204 F N -0.832 118.892 119.950 -0.376 0.000 2.693 204 F HA 0.456 4.983 4.527 -0.000 0.000 0.309 204 F C -1.257 174.386 175.800 -0.262 0.000 1.129 204 F CA -1.173 56.545 58.000 -0.471 0.000 0.948 204 F CB 1.401 39.887 39.000 -0.857 0.000 1.315 204 F HN 0.132 nan 8.300 nan 0.000 0.447 205 N N 1.840 120.513 118.700 -0.046 0.000 2.419 205 N HA 0.402 5.142 4.740 -0.000 0.000 0.277 205 N C -1.761 173.834 175.510 0.143 0.000 1.006 205 N CA -0.240 52.788 53.050 -0.037 0.000 0.923 205 N CB 2.067 40.527 38.487 -0.044 0.000 1.140 205 N HN 0.802 nan 8.380 nan 0.000 0.488 206 V N 3.585 123.573 119.914 0.124 0.000 2.394 206 V HA 0.596 4.716 4.120 -0.000 0.000 0.282 206 V C -0.284 175.869 176.094 0.099 0.000 1.031 206 V CA -0.110 62.300 62.300 0.183 0.000 0.881 206 V CB 0.882 32.852 31.823 0.245 0.000 0.982 206 V HN 0.848 nan 8.190 nan 0.000 0.451 207 S N 5.853 121.625 115.700 0.121 0.000 2.661 207 S HA 0.722 5.192 4.470 -0.000 0.000 0.285 207 S C -0.590 174.076 174.600 0.111 0.000 1.138 207 S CA -0.842 57.416 58.200 0.097 0.000 0.855 207 S CB 1.965 65.213 63.200 0.080 0.000 1.136 207 S HN 0.926 nan 8.310 nan 0.000 0.484 208 M N 2.007 121.659 119.600 0.086 0.000 2.850 208 M HA 0.332 4.812 4.480 -0.000 0.000 0.288 208 M C -2.831 173.536 176.300 0.113 0.000 1.450 208 M CA -1.598 53.742 55.300 0.066 0.000 0.555 208 M CB 1.289 33.874 32.600 -0.025 0.000 1.507 208 M HN 0.517 nan 8.290 nan 0.000 0.415 209 P HA 0.149 nan 4.420 nan 0.000 0.271 209 P C -0.379 176.992 177.300 0.119 0.000 1.220 209 P CA 0.199 63.364 63.100 0.108 0.000 0.768 209 P CB 0.563 32.321 31.700 0.096 0.000 0.848 210 T N 0.389 114.987 114.554 0.075 0.000 2.898 210 T HA 0.069 4.419 4.350 -0.000 0.000 0.301 210 T C 0.685 175.293 174.700 -0.153 0.000 1.049 210 T CA -0.813 61.287 62.100 0.001 0.000 1.095 210 T CB 0.174 68.968 68.868 -0.123 0.000 0.976 210 T HN 0.390 nan 8.240 nan 0.000 0.539 211 N N 1.282 119.869 118.700 -0.189 0.000 2.356 211 N HA -0.067 4.673 4.740 -0.000 0.000 0.252 211 N C 1.413 176.617 175.510 -0.509 0.000 1.241 211 N CA 0.607 53.505 53.050 -0.253 0.000 0.861 211 N CB 0.997 39.425 38.487 -0.099 0.000 1.075 211 N HN 0.889 nan 8.380 nan 0.000 0.461 212 T N 0.328 114.694 114.554 -0.313 0.000 3.148 212 T HA 0.055 4.405 4.350 -0.000 0.000 0.253 212 T C 0.878 175.406 174.700 -0.287 0.000 1.134 212 T CA 0.624 62.549 62.100 -0.293 0.000 1.051 212 T CB -0.201 68.563 68.868 -0.174 0.000 0.959 212 T HN 0.532 nan 8.240 nan 0.000 0.525 213 N N 0.316 118.846 118.700 -0.284 0.000 2.325 213 N HA 0.189 4.929 4.740 -0.000 0.000 0.182 213 N C -0.266 175.183 175.510 -0.102 0.000 1.088 213 N CA -0.331 52.620 53.050 -0.165 0.000 0.879 213 N CB 0.109 38.523 38.487 -0.122 0.000 0.983 213 N HN 0.708 nan 8.380 nan 0.000 0.471 214 Y N 0.398 120.610 120.300 -0.147 0.000 2.352 214 Y HA 0.584 5.134 4.550 -0.000 0.000 0.326 214 Y C 0.453 176.286 175.900 -0.111 0.000 1.166 214 Y CA -2.247 55.765 58.100 -0.147 0.000 1.182 214 Y CB 0.429 38.768 38.460 -0.201 0.000 1.216 214 Y HN -0.155 nan 8.280 nan 0.000 0.474 215 S N 2.384 118.148 115.700 0.107 0.000 2.576 215 S HA 0.492 4.962 4.470 -0.000 0.000 0.276 215 S C -0.773 173.904 174.600 0.128 0.000 1.339 215 S CA -0.805 57.430 58.200 0.059 0.000 1.039 215 S CB 0.578 63.796 63.200 0.031 0.000 0.902 215 S HN 0.758 nan 8.310 nan 0.000 0.516 216 K N 0.928 121.375 120.400 0.078 0.000 2.477 216 K HA 0.585 4.905 4.320 -0.000 0.000 0.255 216 K C -1.234 175.404 176.600 0.063 0.000 0.952 216 K CA -0.762 55.598 56.287 0.122 0.000 0.826 216 K CB 2.385 34.952 32.500 0.112 0.000 1.331 216 K HN 0.624 nan 8.250 nan 0.000 0.437 217 T N 0.475 115.065 114.554 0.059 0.000 2.809 217 T HA 0.409 4.759 4.350 -0.000 0.000 0.284 217 T C 0.456 175.150 174.700 -0.009 0.000 0.992 217 T CA -0.143 61.967 62.100 0.017 0.000 0.957 217 T CB 1.444 70.317 68.868 0.009 0.000 0.942 217 T HN 0.870 nan 8.240 nan 0.000 0.439 218 G N 2.819 111.610 108.800 -0.015 0.000 2.283 218 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.280 218 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.280 218 G C -0.014 174.858 174.900 -0.046 0.000 1.029 218 G CA 0.403 45.485 45.100 -0.031 0.000 0.840 218 G HN 0.830 nan 8.290 nan 0.000 0.505 219 E N 0.764 120.949 120.200 -0.024 0.000 2.316 219 E HA 0.493 4.843 4.350 -0.000 0.000 0.275 219 E C 0.749 177.343 176.600 -0.009 0.000 1.029 219 E CA 0.362 56.750 56.400 -0.020 0.000 0.871 219 E CB 0.431 30.170 29.700 0.065 0.000 1.022 219 E HN 0.443 nan 8.360 nan 0.000 0.418 220 T N 0.714 115.261 114.554 -0.012 0.000 2.916 220 T HA 0.498 4.848 4.350 -0.000 0.000 0.292 220 T C -0.471 174.244 174.700 0.024 0.000 1.055 220 T CA -0.909 61.193 62.100 0.003 0.000 1.009 220 T CB 1.851 70.715 68.868 -0.007 0.000 1.118 220 T HN 0.253 nan 8.240 nan 0.000 0.497 221 T N 2.492 117.060 114.554 0.024 0.000 2.812 221 T HA 0.764 5.114 4.350 -0.000 0.000 0.282 221 T C -0.332 174.379 174.700 0.019 0.000 0.990 221 T CA -0.693 61.427 62.100 0.034 0.000 0.960 221 T CB 1.364 70.253 68.868 0.035 0.000 0.948 221 T HN 1.085 nan 8.240 nan 0.000 0.438 222 T N -0.594 113.973 114.554 0.021 0.000 2.883 222 T HA 0.753 5.103 4.350 -0.000 0.000 0.301 222 T C -0.915 173.792 174.700 0.013 0.000 1.158 222 T CA -0.774 61.334 62.100 0.012 0.000 1.007 222 T CB 1.331 70.204 68.868 0.009 0.000 1.186 222 T HN 0.301 nan 8.240 nan 0.000 0.499 223 V N 1.417 121.334 119.914 0.006 0.000 2.495 223 V HA 0.732 4.852 4.120 -0.000 0.000 0.298 223 V C -0.268 175.828 176.094 0.003 0.000 1.031 223 V CA -0.753 61.549 62.300 0.004 0.000 0.871 223 V CB 1.672 33.492 31.823 -0.004 0.000 0.988 223 V HN 1.032 nan 8.190 nan 0.000 0.432 224 K N 3.044 123.447 120.400 0.006 0.000 2.613 224 K HA 0.604 4.924 4.320 -0.000 0.000 0.248 224 K C 0.520 177.123 176.600 0.006 0.000 0.959 224 K CA 0.431 56.721 56.287 0.005 0.000 0.855 224 K CB 1.350 33.854 32.500 0.008 0.000 1.143 224 K HN 1.028 nan 8.250 nan 0.000 0.437 225 G N 3.625 112.425 108.800 0.001 0.000 2.583 225 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.292 225 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.292 225 G C 0.269 175.170 174.900 0.001 0.000 1.203 225 G CA 0.628 45.728 45.100 0.001 0.000 0.987 225 G HN 0.855 nan 8.290 nan 0.000 0.554 226 D N 0.697 121.102 120.400 0.009 0.000 2.336 226 D HA 0.243 4.883 4.640 -0.000 0.000 0.229 226 D C 0.869 177.183 176.300 0.024 0.000 1.061 226 D CA 1.269 55.278 54.000 0.014 0.000 0.875 226 D CB -0.258 40.558 40.800 0.026 0.000 0.904 226 D HN 0.479 nan 8.370 nan 0.000 0.525 227 T N 0.804 115.371 114.554 0.022 0.000 2.824 227 T HA 0.435 4.785 4.350 -0.000 0.000 0.282 227 T C -0.686 174.028 174.700 0.023 0.000 0.993 227 T CA -0.807 61.311 62.100 0.030 0.000 0.967 227 T CB 1.947 70.836 68.868 0.035 0.000 0.960 227 T HN 0.075 nan 8.240 nan 0.000 0.441 228 L N 3.427 124.666 121.223 0.026 0.000 2.289 228 L HA 0.700 5.040 4.340 -0.000 0.000 0.285 228 L C -0.440 176.450 176.870 0.033 0.000 1.049 228 L CA 0.303 55.158 54.840 0.025 0.000 0.804 228 L CB 1.233 43.306 42.059 0.022 0.000 1.195 228 L HN 0.605 nan 8.230 nan 0.000 0.428 229 T N 4.552 119.130 114.554 0.040 0.000 2.841 229 T HA 0.598 4.948 4.350 -0.000 0.000 0.285 229 T C -0.878 173.868 174.700 0.077 0.000 0.991 229 T CA -0.422 61.713 62.100 0.059 0.000 0.966 229 T CB 1.552 70.451 68.868 0.051 0.000 0.962 229 T HN 0.353 nan 8.240 nan 0.000 0.438 230 V N 4.950 124.940 119.914 0.126 0.000 2.417 230 V HA 0.685 4.805 4.120 -0.000 0.000 0.291 230 V C -0.155 176.058 176.094 0.199 0.000 1.024 230 V CA -0.817 61.585 62.300 0.170 0.000 0.861 230 V CB 1.335 33.303 31.823 0.241 0.000 0.985 230 V HN 0.917 nan 8.190 nan 0.000 0.436 231 K N 3.171 123.618 120.400 0.077 0.000 2.532 231 K HA 0.940 5.260 4.320 -0.000 0.000 0.265 231 K C -0.384 176.015 176.600 -0.335 0.000 0.948 231 K CA -0.618 55.607 56.287 -0.103 0.000 0.842 231 K CB 2.830 35.296 32.500 -0.056 0.000 1.392 231 K HN 0.892 nan 8.250 nan 0.000 0.436 232 G N -0.018 108.276 108.800 -0.842 0.000 2.435 232 G HA2 0.595 4.554 3.960 -0.000 0.000 0.296 232 G HA3 0.595 4.554 3.960 -0.000 0.000 0.296 232 G C -1.916 172.486 174.900 -0.829 0.000 1.240 232 G CA -0.400 44.276 45.100 -0.708 0.000 0.872 232 G HN 0.827 nan 8.290 nan 0.000 0.480 233 A N -0.607 122.005 122.820 -0.347 0.000 2.414 233 A HA 0.772 5.092 4.320 -0.000 0.000 0.306 233 A C -0.351 177.340 177.584 0.179 0.000 1.054 233 A CA -0.599 51.392 52.037 -0.077 0.000 0.724 233 A CB 1.152 20.125 19.000 -0.044 0.000 1.267 233 A HN 0.907 nan 8.150 nan 0.000 0.418 234 L N 2.244 123.604 121.223 0.228 0.000 2.499 234 L HA 0.152 4.492 4.340 -0.000 0.000 0.273 234 L C 1.789 178.707 176.870 0.080 0.000 1.195 234 L CA 0.302 55.229 54.840 0.144 0.000 0.882 234 L CB 0.588 42.646 42.059 -0.001 0.000 1.133 234 L HN 1.045 nan 8.230 nan 0.000 0.483 235 G N 2.439 111.290 108.800 0.085 0.000 2.422 235 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.218 235 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.218 235 G C 1.356 176.265 174.900 0.014 0.000 1.146 235 G CA 0.625 45.752 45.100 0.044 0.000 0.769 235 G HN 0.849 nan 8.290 nan 0.000 0.547 236 N N 1.891 120.591 118.700 0.000 0.000 2.188 236 N HA -0.126 4.614 4.740 -0.000 0.000 0.184 236 N C 1.319 176.802 175.510 -0.044 0.000 1.018 236 N CA 1.828 54.863 53.050 -0.025 0.000 0.858 236 N CB -0.104 38.356 38.487 -0.044 0.000 0.989 236 N HN 0.460 nan 8.380 nan 0.000 0.426 237 N N -2.282 116.389 118.700 -0.048 0.000 2.081 237 N HA 0.134 4.874 4.740 -0.000 0.000 0.230 237 N C 0.813 176.294 175.510 -0.047 0.000 1.351 237 N CA 0.618 53.620 53.050 -0.081 0.000 0.840 237 N CB -0.112 38.275 38.487 -0.167 0.000 1.189 237 N HN 0.160 nan 8.380 nan 0.000 0.503 238 G N 0.732 109.527 108.800 -0.010 0.000 2.162 238 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.260 238 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.260 238 G C -0.220 174.697 174.900 0.028 0.000 0.976 238 G CA 0.398 45.501 45.100 0.005 0.000 0.655 238 G HN 0.518 nan 8.290 nan 0.000 0.533 239 L N 1.199 122.454 121.223 0.053 0.000 2.455 239 L HA 0.562 4.902 4.340 -0.000 0.000 0.272 239 L C 0.756 177.699 176.870 0.121 0.000 1.174 239 L CA -0.149 54.757 54.840 0.110 0.000 0.869 239 L CB 0.412 42.566 42.059 0.158 0.000 1.130 239 L HN 0.188 nan 8.230 nan 0.000 0.474 240 L N 6.684 127.969 121.223 0.103 0.000 2.371 240 L HA 0.376 4.716 4.340 -0.000 0.000 0.272 240 L C -0.706 176.246 176.870 0.137 0.000 1.124 240 L CA -0.503 54.360 54.840 0.040 0.000 0.816 240 L CB 0.521 42.598 42.059 0.029 0.000 1.129 240 L HN 0.682 nan 8.230 nan 0.000 0.448 241 Y N 0.855 121.173 120.300 0.030 0.000 2.562 241 Y HA 0.678 5.228 4.550 -0.000 0.000 0.345 241 Y C -0.927 175.088 175.900 0.191 0.000 1.045 241 Y CA -1.282 56.855 58.100 0.061 0.000 1.028 241 Y CB 1.615 39.851 38.460 -0.373 0.000 1.297 241 Y HN 0.510 nan 8.280 nan 0.000 0.463 242 N N 1.473 120.541 118.700 0.613 0.000 2.600 242 N HA 0.360 5.100 4.740 -0.000 0.000 0.272 242 N C -2.031 173.800 175.510 0.535 0.000 1.095 242 N CA -0.151 53.165 53.050 0.444 0.000 0.993 242 N CB 2.271 40.896 38.487 0.229 0.000 1.603 242 N HN 1.007 nan 8.380 nan 0.000 0.526 243 S N 2.228 118.191 115.700 0.437 0.000 2.542 243 S HA 0.695 5.165 4.470 -0.000 0.000 0.293 243 S C -0.817 173.821 174.600 0.063 0.000 1.089 243 S CA -0.656 57.619 58.200 0.124 0.000 0.961 243 S CB 2.620 65.751 63.200 -0.116 0.000 1.062 243 S HN 0.548 nan 8.310 nan 0.000 0.483 244 Q N 0.998 120.795 119.800 -0.005 0.000 2.359 244 Q HA 0.573 4.913 4.340 -0.000 0.000 0.274 244 Q C -1.348 174.646 176.000 -0.010 0.000 1.074 244 Q CA -0.600 55.212 55.803 0.014 0.000 0.810 244 Q CB 2.538 31.304 28.738 0.046 0.000 1.342 244 Q HN 0.739 nan 8.270 nan 0.000 0.427 245 I N 1.964 122.538 120.570 0.006 0.000 2.382 245 I HA 0.356 4.526 4.170 -0.000 0.000 0.286 245 I C -0.513 175.640 176.117 0.059 0.000 1.002 245 I CA -0.669 60.645 61.300 0.023 0.000 1.135 245 I CB 1.497 39.502 38.000 0.008 0.000 1.288 245 I HN 0.343 nan 8.210 nan 0.000 0.448 246 K N 6.452 126.915 120.400 0.104 0.000 2.234 246 K HA 0.513 4.833 4.320 -0.000 0.000 0.277 246 K C -1.190 175.496 176.600 0.143 0.000 1.038 246 K CA -0.443 55.921 56.287 0.128 0.000 0.888 246 K CB 1.354 33.952 32.500 0.164 0.000 1.091 246 K HN 0.419 nan 8.250 nan 0.000 0.467 247 V N 5.545 125.517 119.914 0.096 0.000 2.318 247 V HA 0.218 4.338 4.120 -0.000 0.000 0.271 247 V C -0.537 175.604 176.094 0.078 0.000 1.030 247 V CA -0.862 61.483 62.300 0.075 0.000 0.844 247 V CB 1.274 33.119 31.823 0.036 0.000 1.015 247 V HN 0.506 nan 8.190 nan 0.000 0.460 248 V N 6.912 126.886 119.914 0.100 0.000 2.334 248 V HA 0.407 4.527 4.120 -0.000 0.000 0.281 248 V C 0.077 176.206 176.094 0.057 0.000 1.016 248 V CA -0.498 61.867 62.300 0.107 0.000 0.832 248 V CB 1.328 33.280 31.823 0.215 0.000 0.999 248 V HN 0.648 nan 8.190 nan 0.000 0.439 249 L N 3.435 124.678 121.223 0.033 0.000 2.397 249 L HA 0.361 4.701 4.340 -0.000 0.000 0.271 249 L C 0.352 177.234 176.870 0.021 0.000 1.148 249 L CA -0.389 54.460 54.840 0.015 0.000 0.825 249 L CB 0.384 42.442 42.059 -0.002 0.000 1.117 249 L HN 0.496 nan 8.230 nan 0.000 0.456 250 D N 2.849 123.255 120.400 0.010 0.000 2.425 250 D HA 0.045 4.685 4.640 -0.000 0.000 0.247 250 D C 0.462 176.772 176.300 0.016 0.000 1.147 250 D CA 0.285 54.293 54.000 0.014 0.000 0.879 250 D CB 0.230 41.030 40.800 0.000 0.000 1.179 250 D HN 0.491 nan 8.370 nan 0.000 0.456 255 T N 0.574 115.097 114.554 -0.053 0.000 2.921 255 T HA 0.586 4.936 4.350 -0.000 0.000 0.297 255 T C -1.609 173.037 174.700 -0.089 0.000 1.013 255 T CA -0.206 61.859 62.100 -0.058 0.000 0.990 255 T CB 1.803 70.641 68.868 -0.050 0.000 1.023 255 T HN 0.575 nan 8.240 nan 0.000 0.447 256 L N 4.101 125.278 121.223 -0.077 0.000 2.322 256 L HA 0.849 5.189 4.340 -0.000 0.000 0.281 256 L C -0.233 176.592 176.870 -0.075 0.000 1.014 256 L CA 0.048 54.833 54.840 -0.093 0.000 0.815 256 L CB 1.391 43.407 42.059 -0.071 0.000 1.247 256 L HN 0.766 nan 8.230 nan 0.000 0.421 257 S N 2.465 118.112 115.700 -0.088 0.000 2.579 257 S HA 0.541 5.011 4.470 -0.000 0.000 0.272 257 S C -0.785 173.775 174.600 -0.067 0.000 1.141 257 S CA -0.887 57.273 58.200 -0.067 0.000 0.843 257 S CB 1.282 64.443 63.200 -0.064 0.000 1.122 257 S HN 0.703 nan 8.310 nan 0.000 0.468 258 E N 0.724 120.895 120.200 -0.049 0.000 2.360 258 E HA 0.440 4.790 4.350 -0.000 0.000 0.269 258 E C 0.710 177.281 176.600 -0.048 0.000 1.022 258 E CA -0.315 56.060 56.400 -0.042 0.000 0.887 258 E CB 0.339 30.021 29.700 -0.030 0.000 0.990 258 E HN 0.850 nan 8.360 nan 0.000 0.426 259 G N 1.862 110.633 108.800 -0.048 0.000 2.594 259 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.243 259 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.243 259 G C 0.953 175.828 174.900 -0.042 0.000 1.229 259 G CA 0.156 45.226 45.100 -0.051 0.000 0.843 259 G HN 0.645 nan 8.290 nan 0.000 0.578 260 S N 0.193 115.867 115.700 -0.043 0.000 2.387 260 S HA -0.227 4.243 4.470 -0.000 0.000 0.230 260 S C 1.752 176.332 174.600 -0.034 0.000 1.035 260 S CA 2.164 60.341 58.200 -0.037 0.000 1.014 260 S CB -0.385 62.792 63.200 -0.039 0.000 0.836 260 S HN 0.697 nan 8.310 nan 0.000 0.466 261 D N 0.109 120.488 120.400 -0.036 0.000 2.363 261 D HA 0.201 4.841 4.640 -0.000 0.000 0.226 261 D C 1.553 177.837 176.300 -0.026 0.000 1.020 261 D CA 0.818 54.798 54.000 -0.033 0.000 0.892 261 D CB -1.096 39.681 40.800 -0.038 0.000 0.900 261 D HN 0.708 nan 8.370 nan 0.000 0.531 262 G N -0.321 108.465 108.800 -0.024 0.000 2.189 262 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.267 262 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.267 262 G C 0.727 175.619 174.900 -0.013 0.000 0.975 262 G CA 0.390 45.479 45.100 -0.019 0.000 0.644 262 G HN 1.069 nan 8.290 nan 0.000 0.537 263 A N -0.600 122.212 122.820 -0.013 0.000 2.610 263 A HA 0.785 5.105 4.320 -0.000 0.000 0.290 263 A C 0.525 178.109 177.584 0.000 0.000 1.001 263 A CA 1.260 53.295 52.037 -0.004 0.000 1.004 263 A CB 0.146 19.142 19.000 -0.005 0.000 1.220 263 A HN 2.072 nan 8.150 nan 0.000 0.507 264 S N -1.129 114.567 115.700 -0.007 0.000 2.615 264 S HA 0.709 5.179 4.470 -0.000 0.000 0.268 264 S C -1.435 173.151 174.600 -0.023 0.000 1.146 264 S CA -0.685 57.511 58.200 -0.006 0.000 0.818 264 S CB 0.759 63.953 63.200 -0.011 0.000 1.111 264 S HN 0.316 nan 8.310 nan 0.000 0.465 265 L N 1.190 122.395 121.223 -0.029 0.000 2.346 265 L HA 0.637 4.977 4.340 -0.000 0.000 0.276 265 L C -0.367 176.427 176.870 -0.127 0.000 1.006 265 L CA -0.631 54.170 54.840 -0.065 0.000 0.817 265 L CB 2.018 44.046 42.059 -0.051 0.000 1.272 265 L HN 0.804 nan 8.230 nan 0.000 0.421 266 K N 2.897 123.201 120.400 -0.159 0.000 2.293 266 K HA 0.520 4.840 4.320 -0.000 0.000 0.267 266 K C -1.425 174.992 176.600 -0.306 0.000 1.010 266 K CA -0.519 55.631 56.287 -0.228 0.000 0.875 266 K CB 1.661 34.068 32.500 -0.156 0.000 1.106 266 K HN 0.329 nan 8.250 nan 0.000 0.450 267 V N 3.711 123.306 119.914 -0.532 0.000 2.427 267 V HA 0.344 4.464 4.120 -0.000 0.000 0.286 267 V C -0.399 175.450 176.094 -0.409 0.000 1.034 267 V CA -0.368 61.595 62.300 -0.562 0.000 0.893 267 V CB 1.361 32.539 31.823 -1.074 0.000 0.982 267 V HN 0.958 nan 8.190 nan 0.000 0.452 268 S N 2.195 117.754 115.700 -0.236 0.000 2.546 268 S HA 0.559 5.029 4.470 -0.000 0.000 0.274 268 S C -0.656 173.896 174.600 -0.080 0.000 1.121 268 S CA -0.721 57.392 58.200 -0.145 0.000 0.887 268 S CB 1.967 65.100 63.200 -0.111 0.000 1.094 268 S HN 0.768 nan 8.310 nan 0.000 0.474 269 D N -0.306 120.073 120.400 -0.034 0.000 2.772 269 D HA -0.134 4.506 4.640 -0.000 0.000 0.233 269 D C 0.299 176.598 176.300 -0.001 0.000 1.143 269 D CA 1.435 55.433 54.000 -0.003 0.000 0.700 269 D CB -1.665 39.130 40.800 -0.009 0.000 1.076 269 D HN 0.965 nan 8.370 nan 0.000 0.430 270 A N -0.442 122.382 122.820 0.006 0.000 2.263 270 A HA 0.632 4.952 4.320 -0.000 0.000 0.318 270 A C 1.183 178.793 177.584 0.043 0.000 1.111 270 A CA -0.113 51.932 52.037 0.013 0.000 0.901 270 A CB 1.879 20.878 19.000 -0.001 0.000 1.280 270 A HN 0.045 nan 8.150 nan 0.000 0.503 271 K N -1.710 118.710 120.400 0.033 0.000 2.424 271 K HA 0.509 4.829 4.320 -0.000 0.000 0.200 271 K C 0.087 176.702 176.600 0.026 0.000 1.279 271 K CA 0.905 57.210 56.287 0.030 0.000 0.918 271 K CB 0.745 33.249 32.500 0.007 0.000 1.287 271 K HN 0.859 nan 8.250 nan 0.000 0.502 272 A N 1.332 124.159 122.820 0.011 0.000 2.455 272 A HA 0.562 4.882 4.320 -0.000 0.000 0.300 272 A C -1.198 176.378 177.584 -0.014 0.000 1.040 272 A CA -0.651 51.375 52.037 -0.017 0.000 0.697 272 A CB 1.678 20.642 19.000 -0.060 0.000 1.265 272 A HN 0.069 nan 8.150 nan 0.000 0.407 273 V N -0.684 119.217 119.914 -0.022 0.000 2.925 273 V HA 0.910 5.030 4.120 -0.000 0.000 0.311 273 V C -0.477 175.541 176.094 -0.128 0.000 1.104 273 V CA -0.505 61.784 62.300 -0.019 0.000 0.954 273 V CB 1.566 33.451 31.823 0.102 0.000 1.022 273 V HN 0.834 nan 8.190 nan 0.000 0.427 274 T N 5.488 119.954 114.554 -0.148 0.000 2.794 274 T HA 0.733 5.083 4.350 -0.000 0.000 0.280 274 T C -0.650 173.890 174.700 -0.267 0.000 0.987 274 T CA -0.261 61.665 62.100 -0.291 0.000 0.993 274 T CB 1.204 69.871 68.868 -0.335 0.000 0.939 274 T HN 0.556 nan 8.240 nan 0.000 0.449 275 L N 3.470 124.502 121.223 -0.319 0.000 2.295 275 L HA 0.454 4.794 4.340 -0.000 0.000 0.285 275 L C -0.813 175.811 176.870 -0.411 0.000 1.035 275 L CA -0.620 54.092 54.840 -0.214 0.000 0.806 275 L CB 0.403 42.417 42.059 -0.074 0.000 1.214 275 L HN 0.610 nan 8.230 nan 0.000 0.426 276 Y N 4.240 124.550 120.300 0.016 0.000 2.331 276 Y HA 0.595 5.144 4.550 -0.000 0.000 0.338 276 Y C -0.117 175.791 175.900 0.014 0.000 0.976 276 Y CA -0.473 57.637 58.100 0.016 0.000 1.137 276 Y CB 1.078 39.558 38.460 0.033 0.000 1.172 276 Y HN 0.358 nan 8.280 nan 0.000 0.478 277 I N 3.447 124.091 120.570 0.123 0.000 2.406 277 I HA 0.754 4.924 4.170 -0.000 0.000 0.290 277 I C -0.250 175.923 176.117 0.092 0.000 0.999 277 I CA -0.548 60.789 61.300 0.061 0.000 1.124 277 I CB 1.527 39.536 38.000 0.014 0.000 1.289 277 I HN 0.670 nan 8.210 nan 0.000 0.441 278 A N 4.759 127.609 122.820 0.050 0.000 2.469 278 A HA 1.025 5.345 4.320 -0.000 0.000 0.299 278 A C -1.068 176.524 177.584 0.013 0.000 1.098 278 A CA -0.566 51.514 52.037 0.071 0.000 0.737 278 A CB 1.874 20.926 19.000 0.087 0.000 1.312 278 A HN 0.865 nan 8.150 nan 0.000 0.414 279 A N -0.492 122.351 122.820 0.040 0.000 2.606 279 A HA 1.018 5.338 4.320 -0.000 0.000 0.293 279 A C -0.574 177.077 177.584 0.112 0.000 1.082 279 A CA 0.045 52.063 52.037 -0.033 0.000 0.685 279 A CB 1.185 19.924 19.000 -0.434 0.000 1.284 279 A HN 2.725 nan 8.150 nan 0.000 0.408 280 A N -0.067 122.933 122.820 0.301 0.000 2.597 280 A HA 0.925 5.245 4.320 -0.000 0.000 0.292 280 A C -0.295 177.584 177.584 0.491 0.000 1.057 280 A CA 0.234 52.478 52.037 0.345 0.000 0.674 280 A CB 0.746 19.886 19.000 0.233 0.000 1.278 280 A HN 2.392 nan 8.150 nan 0.000 0.416 281 T N -2.041 112.758 114.554 0.408 0.000 2.883 281 T HA 0.622 4.972 4.350 -0.000 0.000 0.284 281 T C -0.216 174.650 174.700 0.277 0.000 1.041 281 T CA 0.302 62.617 62.100 0.358 0.000 1.007 281 T CB 1.595 70.683 68.868 0.366 0.000 1.220 281 T HN 0.789 nan 8.240 nan 0.000 0.552 282 D N -0.653 119.890 120.400 0.237 0.000 2.358 282 D HA 0.042 4.682 4.640 -0.000 0.000 0.224 282 D C 0.216 176.640 176.300 0.207 0.000 1.123 282 D CA -0.549 53.560 54.000 0.182 0.000 0.833 282 D CB -0.880 39.992 40.800 0.120 0.000 0.946 282 D HN 0.578 nan 8.370 nan 0.000 0.505 283 Y N 2.130 122.539 120.300 0.181 0.000 2.805 283 Y HA 0.115 4.665 4.550 -0.000 0.000 0.337 283 Y C 0.109 176.105 175.900 0.160 0.000 1.252 283 Y CA 0.376 58.599 58.100 0.205 0.000 1.515 283 Y CB 0.522 39.108 38.460 0.210 0.000 1.305 283 Y HN -0.117 nan 8.280 nan 0.000 0.600 284 K N 5.174 125.103 120.400 -0.784 0.000 2.525 284 K HA 0.154 4.474 4.320 -0.000 0.000 0.254 284 K C -1.412 174.662 176.600 -0.877 0.000 0.934 284 K CA -0.798 55.116 56.287 -0.623 0.000 0.802 284 K CB 1.575 33.926 32.500 -0.248 0.000 1.295 284 K HN 0.778 nan 8.250 nan 0.000 0.433 285 Q N 4.066 123.577 119.800 -0.482 0.000 2.641 285 Q HA 0.056 4.396 4.340 -0.000 0.000 0.225 285 Q C -1.256 174.610 176.000 -0.223 0.000 1.309 285 Q CA 0.327 56.044 55.803 -0.144 0.000 0.935 285 Q CB 0.180 28.991 28.738 0.122 0.000 1.557 285 Q HN 0.360 nan 8.270 nan 0.000 0.563 286 K N 3.429 123.539 120.400 -0.483 0.000 2.716 286 K HA 0.116 4.436 4.320 -0.000 0.000 0.249 286 K C -1.847 174.290 176.600 -0.771 0.000 1.004 286 K CA -0.666 55.348 56.287 -0.455 0.000 0.968 286 K CB 0.798 33.114 32.500 -0.306 0.000 1.214 286 K HN 0.399 nan 8.250 nan 0.000 0.476 287 Y N 5.685 125.557 120.300 -0.714 0.000 2.411 287 Y HA 0.218 4.768 4.550 -0.000 0.000 0.333 287 Y C -1.591 174.127 175.900 -0.305 0.000 1.186 287 Y CA -0.969 56.775 58.100 -0.593 0.000 1.381 287 Y CB 1.075 39.400 38.460 -0.226 0.000 1.273 287 Y HN 0.548 nan 8.280 nan 0.000 0.546 288 P HA 0.019 nan 4.420 nan 0.000 0.264 288 P C 0.713 177.830 177.300 -0.305 0.000 1.259 288 P CA 0.872 63.398 63.100 -0.958 0.000 0.841 288 P CB 0.388 31.483 31.700 -1.008 0.000 1.232 289 S N -1.170 114.368 115.700 -0.269 0.000 2.446 289 S HA -0.092 4.378 4.470 -0.000 0.000 0.225 289 S C 0.763 175.391 174.600 0.046 0.000 1.016 289 S CA -0.118 58.032 58.200 -0.085 0.000 0.943 289 S CB -1.296 61.845 63.200 -0.098 0.000 0.786 289 S HN 0.031 nan 8.310 nan 0.000 0.508 290 Y N 1.582 121.840 120.300 -0.070 0.000 3.491 290 Y HA -0.178 4.372 4.550 -0.000 0.000 0.215 290 Y C 0.446 176.272 175.900 -0.125 0.000 1.219 290 Y CA 0.515 58.563 58.100 -0.087 0.000 1.485 290 Y CB -1.710 36.862 38.460 0.187 0.000 1.450 290 Y HN 0.300 nan 8.280 nan 0.000 0.603 291 R N -1.004 119.467 120.500 -0.048 0.000 2.771 291 R HA 0.452 4.792 4.340 -0.000 0.000 0.274 291 R C 1.224 177.493 176.300 -0.051 0.000 0.987 291 R CA 0.019 56.108 56.100 -0.017 0.000 0.908 291 R CB 1.058 31.369 30.300 0.018 0.000 1.213 291 R HN 0.121 nan 8.270 nan 0.000 0.468 292 T N -2.388 112.158 114.554 -0.013 0.000 2.995 292 T HA 0.035 4.385 4.350 -0.000 0.000 0.269 292 T C 1.280 175.975 174.700 -0.008 0.000 1.091 292 T CA 1.166 63.260 62.100 -0.010 0.000 1.128 292 T CB 0.041 68.924 68.868 0.025 0.000 0.891 292 T HN 0.882 nan 8.240 nan 0.000 0.492 293 G N 0.877 109.676 108.800 -0.001 0.000 2.175 293 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.244 293 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.244 293 G C -0.164 174.742 174.900 0.010 0.000 0.982 293 G CA 0.036 45.136 45.100 -0.001 0.000 0.641 293 G HN 0.656 nan 8.290 nan 0.000 0.527 294 E N 1.505 121.718 120.200 0.022 0.000 2.390 294 E HA 0.451 4.801 4.350 -0.000 0.000 0.261 294 E C 1.195 177.810 176.600 0.025 0.000 1.076 294 E CA 0.458 56.875 56.400 0.027 0.000 0.905 294 E CB 0.607 30.332 29.700 0.043 0.000 0.984 294 E HN 0.443 nan 8.360 nan 0.000 0.427 295 T N -1.242 113.324 114.554 0.020 0.000 2.847 295 T HA 0.363 4.713 4.350 -0.000 0.000 0.279 295 T C 1.174 175.885 174.700 0.018 0.000 0.984 295 T CA -0.279 61.829 62.100 0.014 0.000 0.988 295 T CB 1.425 70.298 68.868 0.009 0.000 1.040 295 T HN 0.468 nan 8.240 nan 0.000 0.528 296 A N 0.992 123.816 122.820 0.006 0.000 1.917 296 A HA 0.089 4.409 4.320 -0.000 0.000 0.219 296 A C 2.646 180.237 177.584 0.011 0.000 1.182 296 A CA 2.104 54.142 52.037 0.000 0.000 0.633 296 A CB -1.608 17.377 19.000 -0.025 0.000 0.819 296 A HN 1.277 nan 8.150 nan 0.000 0.448 297 A N -0.368 122.458 122.820 0.009 0.000 1.933 297 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 297 A C 1.915 179.513 177.584 0.024 0.000 1.175 297 A CA 1.653 53.698 52.037 0.014 0.000 0.628 297 A CB -0.501 18.505 19.000 0.010 0.000 0.814 297 A HN 0.653 nan 8.150 nan 0.000 0.444 298 E N -0.376 119.839 120.200 0.026 0.000 2.072 298 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 298 E C 1.958 178.586 176.600 0.047 0.000 0.985 298 E CA 1.264 57.683 56.400 0.033 0.000 0.801 298 E CB -0.241 29.477 29.700 0.030 0.000 0.750 298 E HN 0.414 nan 8.360 nan 0.000 0.452 299 V N 2.140 122.087 119.914 0.055 0.000 2.343 299 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 299 V C 2.251 178.393 176.094 0.080 0.000 1.051 299 V CA 1.748 64.096 62.300 0.080 0.000 1.036 299 V CB -0.709 31.172 31.823 0.098 0.000 0.654 299 V HN 0.391 nan 8.190 nan 0.000 0.451 300 N N 0.298 119.034 118.700 0.061 0.000 2.069 300 N HA -0.204 4.536 4.740 -0.000 0.000 0.191 300 N C 1.780 177.322 175.510 0.053 0.000 1.031 300 N CA 2.204 55.289 53.050 0.057 0.000 0.852 300 N CB -0.048 38.461 38.487 0.038 0.000 1.018 300 N HN 0.489 nan 8.380 nan 0.000 0.423 301 T N 0.845 115.426 114.554 0.044 0.000 2.788 301 T HA -0.120 4.230 4.350 -0.000 0.000 0.268 301 T C 1.923 176.651 174.700 0.045 0.000 1.044 301 T CA 1.013 63.136 62.100 0.039 0.000 1.139 301 T CB -0.160 68.727 68.868 0.031 0.000 0.867 301 T HN 0.364 nan 8.240 nan 0.000 0.454 302 R N 0.698 121.230 120.500 0.055 0.000 2.066 302 R HA -0.061 4.279 4.340 -0.000 0.000 0.232 302 R C 2.254 178.594 176.300 0.067 0.000 1.131 302 R CA 1.254 57.391 56.100 0.061 0.000 0.955 302 R CB -0.522 29.820 30.300 0.071 0.000 0.851 302 R HN 0.214 nan 8.270 nan 0.000 0.432 303 V N 1.242 121.204 119.914 0.079 0.000 2.358 303 V HA -0.174 3.946 4.120 -0.000 0.000 0.246 303 V C 2.522 178.656 176.094 0.066 0.000 1.047 303 V CA 1.777 64.127 62.300 0.085 0.000 1.035 303 V CB -0.757 31.129 31.823 0.106 0.000 0.658 303 V HN 0.574 nan 8.190 nan 0.000 0.452 304 A N 0.112 122.966 122.820 0.056 0.000 1.917 304 A HA -0.328 3.992 4.320 -0.000 0.000 0.219 304 A C 2.308 179.912 177.584 0.033 0.000 1.182 304 A CA 2.480 54.543 52.037 0.043 0.000 0.633 304 A CB -0.548 18.473 19.000 0.036 0.000 0.819 304 A HN 0.534 nan 8.150 nan 0.000 0.448 305 K N -0.476 119.944 120.400 0.034 0.000 2.147 305 K HA -0.075 4.244 4.320 -0.000 0.000 0.205 305 K C 1.713 178.327 176.600 0.023 0.000 1.049 305 K CA 1.393 57.695 56.287 0.025 0.000 0.936 305 K CB -0.247 32.270 32.500 0.029 0.000 0.722 305 K HN 0.249 nan 8.250 nan 0.000 0.446 306 V N 0.801 120.739 119.914 0.039 0.000 2.261 306 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 306 V C 2.292 178.402 176.094 0.026 0.000 1.047 306 V CA 1.871 64.198 62.300 0.046 0.000 1.015 306 V CB -0.393 31.473 31.823 0.072 0.000 0.642 306 V HN 0.414 nan 8.190 nan 0.000 0.446 307 V N -1.486 118.448 119.914 0.033 0.000 2.427 307 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 307 V C 2.329 178.368 176.094 -0.091 0.000 1.051 307 V CA 2.189 64.501 62.300 0.019 0.000 1.048 307 V CB -0.846 31.031 31.823 0.090 0.000 0.666 307 V HN 0.502 nan 8.190 nan 0.000 0.456 308 Q N 1.185 120.955 119.800 -0.051 0.000 2.046 308 Q HA -0.183 4.157 4.340 -0.000 0.000 0.200 308 Q C 1.892 177.831 176.000 -0.101 0.000 0.975 308 Q CA 2.432 58.193 55.803 -0.069 0.000 0.836 308 Q CB -0.652 28.071 28.738 -0.025 0.000 0.896 308 Q HN 0.699 nan 8.270 nan 0.000 0.428 309 D N -0.208 120.152 120.400 -0.067 0.000 2.123 309 D HA -0.164 4.476 4.640 -0.000 0.000 0.196 309 D C 1.596 177.832 176.300 -0.106 0.000 0.992 309 D CA 1.603 55.569 54.000 -0.057 0.000 0.833 309 D CB -0.422 40.369 40.800 -0.015 0.000 0.954 309 D HN 0.408 nan 8.370 nan 0.000 0.455 310 A N 0.986 123.703 122.820 -0.172 0.000 1.873 310 A HA 0.002 4.321 4.320 -0.000 0.000 0.215 310 A C 2.337 179.561 177.584 -0.600 0.000 1.186 310 A CA 2.201 54.074 52.037 -0.273 0.000 0.616 310 A CB -0.857 18.013 19.000 -0.215 0.000 0.823 310 A HN 0.224 nan 8.150 nan 0.000 0.442 311 A N 0.484 122.791 122.820 -0.855 0.000 1.917 311 A HA -0.265 4.055 4.320 -0.000 0.000 0.219 311 A C 1.907 179.356 177.584 -0.225 0.000 1.182 311 A CA 2.116 53.758 52.037 -0.659 0.000 0.633 311 A CB -0.747 18.040 19.000 -0.354 0.000 0.819 311 A HN 0.550 nan 8.150 nan 0.000 0.448 312 N N -0.289 118.320 118.700 -0.153 0.000 2.166 312 N HA -0.110 4.630 4.740 -0.000 0.000 0.186 312 N C 1.615 177.110 175.510 -0.025 0.000 1.019 312 N CA 1.456 54.471 53.050 -0.059 0.000 0.856 312 N CB -0.319 38.144 38.487 -0.041 0.000 0.993 312 N HN 0.582 nan 8.380 nan 0.000 0.426 313 K N -0.018 120.363 120.400 -0.032 0.000 2.097 313 K HA 0.036 4.356 4.320 -0.000 0.000 0.205 313 K C 0.669 177.302 176.600 0.056 0.000 1.050 313 K CA 0.744 57.041 56.287 0.016 0.000 0.938 313 K CB -0.126 32.390 32.500 0.027 0.000 0.718 313 K HN 0.297 nan 8.250 nan 0.000 0.442 314 G N -0.332 108.512 108.800 0.073 0.000 2.730 314 G HA2 -0.313 3.646 3.960 -0.000 0.000 0.686 314 G HA3 -0.313 3.646 3.960 -0.000 0.000 0.686 314 G C -0.036 175.046 174.900 0.303 0.000 1.343 314 G CA -0.029 45.184 45.100 0.190 0.000 0.826 314 G HN 0.237 nan 8.290 nan 0.000 0.582 315 Y N 0.598 121.054 120.300 0.261 0.000 2.145 315 Y HA -0.095 4.455 4.550 -0.000 0.000 0.286 315 Y C 3.099 179.119 175.900 0.200 0.000 1.145 315 Y CA 3.220 61.474 58.100 0.256 0.000 1.148 315 Y CB -0.438 38.120 38.460 0.163 0.000 0.981 315 Y HN 0.685 nan 8.280 nan 0.000 0.507 316 T N 0.711 115.280 114.554 0.025 0.000 2.708 316 T HA -0.192 4.158 4.350 -0.000 0.000 0.266 316 T C 2.097 176.742 174.700 -0.091 0.000 1.037 316 T CA 1.726 63.758 62.100 -0.112 0.000 1.146 316 T CB -0.787 68.106 68.868 0.042 0.000 0.865 316 T HN 0.504 nan 8.240 nan 0.000 0.435 317 A N 0.669 123.492 122.820 0.005 0.000 1.930 317 A HA 0.009 4.329 4.320 -0.000 0.000 0.217 317 A C 2.564 180.170 177.584 0.035 0.000 1.175 317 A CA 1.088 53.137 52.037 0.020 0.000 0.627 317 A CB -0.861 18.165 19.000 0.044 0.000 0.815 317 A HN 0.350 nan 8.150 nan 0.000 0.443 318 V N 0.350 120.315 119.914 0.085 0.000 2.295 318 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 318 V C 2.545 178.721 176.094 0.137 0.000 1.049 318 V CA 2.405 64.811 62.300 0.177 0.000 1.024 318 V CB -0.655 31.369 31.823 0.335 0.000 0.648 318 V HN 0.716 nan 8.190 nan 0.000 0.447 319 K N 0.346 120.735 120.400 -0.018 0.000 2.063 319 K HA -0.263 4.057 4.320 -0.000 0.000 0.208 319 K C 2.309 178.774 176.600 -0.225 0.000 1.048 319 K CA 1.956 58.073 56.287 -0.284 0.000 0.928 319 K CB -0.203 31.988 32.500 -0.514 0.000 0.713 319 K HN 0.371 nan 8.250 nan 0.000 0.442 320 K N 0.080 120.399 120.400 -0.135 0.000 2.025 320 K HA -0.125 4.195 4.320 -0.000 0.000 0.207 320 K C 2.040 178.611 176.600 -0.048 0.000 1.049 320 K CA 1.268 57.503 56.287 -0.086 0.000 0.933 320 K CB -0.247 32.222 32.500 -0.052 0.000 0.714 320 K HN 0.234 nan 8.250 nan 0.000 0.438 321 A N 1.438 124.258 122.820 0.000 0.000 1.940 321 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 321 A C 2.178 179.791 177.584 0.047 0.000 1.176 321 A CA 1.817 53.876 52.037 0.036 0.000 0.631 321 A CB -1.014 18.030 19.000 0.074 0.000 0.814 321 A HN 0.614 nan 8.150 nan 0.000 0.446 322 H N -0.232 118.812 119.070 -0.042 0.000 2.299 322 H HA -0.058 4.498 4.556 -0.000 0.000 0.302 322 H C 2.020 177.304 175.328 -0.074 0.000 1.078 322 H CA 1.924 57.936 56.048 -0.060 0.000 1.323 322 H CB -0.147 29.489 29.762 -0.210 0.000 1.381 322 H HN 0.459 nan 8.280 nan 0.000 0.498 323 I N 1.060 121.417 120.570 -0.355 0.000 2.226 323 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 323 I C 2.185 178.211 176.117 -0.151 0.000 1.100 323 I CA 1.328 62.440 61.300 -0.312 0.000 1.374 323 I CB -0.314 37.571 38.000 -0.192 0.000 1.057 323 I HN 0.231 nan 8.210 nan 0.000 0.413 324 D N 0.718 121.064 120.400 -0.090 0.000 2.116 324 D HA -0.257 4.383 4.640 -0.000 0.000 0.193 324 D C 1.737 178.026 176.300 -0.019 0.000 0.998 324 D CA 1.818 55.799 54.000 -0.033 0.000 0.836 324 D CB -0.443 40.348 40.800 -0.015 0.000 0.951 324 D HN 0.421 nan 8.370 nan 0.000 0.449 325 D N -0.833 119.550 120.400 -0.029 0.000 2.097 325 D HA -0.198 4.442 4.640 -0.000 0.000 0.197 325 D C 2.024 178.326 176.300 0.004 0.000 0.984 325 D CA 1.123 55.126 54.000 0.006 0.000 0.826 325 D CB -0.018 40.810 40.800 0.047 0.000 0.973 325 D HN 0.210 nan 8.370 nan 0.000 0.460 326 H N -0.032 118.942 119.070 -0.160 0.000 2.293 326 H HA -0.108 4.448 4.556 -0.000 0.000 0.300 326 H C 2.113 177.452 175.328 0.020 0.000 1.082 326 H CA 2.126 58.113 56.048 -0.102 0.000 1.308 326 H CB -0.310 29.294 29.762 -0.263 0.000 1.375 326 H HN 0.301 nan 8.280 nan 0.000 0.495 327 S N 0.512 116.266 115.700 0.089 0.000 2.423 327 S HA -0.024 4.446 4.470 -0.000 0.000 0.231 327 S C 2.431 177.080 174.600 0.082 0.000 1.014 327 S CA 0.839 59.116 58.200 0.128 0.000 0.965 327 S CB -0.486 62.790 63.200 0.126 0.000 0.785 327 S HN 0.543 nan 8.310 nan 0.000 0.495 328 A N 1.862 124.705 122.820 0.038 0.000 1.940 328 A HA 0.028 4.348 4.320 -0.000 0.000 0.219 328 A C 2.169 179.767 177.584 0.024 0.000 1.176 328 A CA 1.646 53.702 52.037 0.031 0.000 0.631 328 A CB -0.697 18.317 19.000 0.023 0.000 0.814 328 A HN 0.635 nan 8.150 nan 0.000 0.446 329 I N -3.127 117.443 120.570 -0.001 0.000 2.429 329 I HA -0.091 4.079 4.170 -0.000 0.000 0.247 329 I C 2.378 178.491 176.117 -0.007 0.000 1.099 329 I CA 1.004 62.296 61.300 -0.014 0.000 1.422 329 I CB -0.405 37.570 38.000 -0.042 0.000 1.112 329 I HN 0.431 nan 8.210 nan 0.000 0.430 330 Y N 2.062 122.276 120.300 -0.144 0.000 2.165 330 Y HA -0.293 4.257 4.550 -0.000 0.000 0.286 330 Y C 1.894 177.811 175.900 0.028 0.000 1.155 330 Y CA 1.780 59.835 58.100 -0.075 0.000 1.164 330 Y CB -0.165 38.232 38.460 -0.105 0.000 0.978 330 Y HN 0.168 nan 8.280 nan 0.000 0.513 331 D N -0.346 120.128 120.400 0.123 0.000 2.363 331 D HA -0.046 4.594 4.640 -0.000 0.000 0.226 331 D C 1.894 178.203 176.300 0.015 0.000 1.020 331 D CA 0.408 54.458 54.000 0.084 0.000 0.892 331 D CB -0.125 40.760 40.800 0.142 0.000 0.900 331 D HN 0.460 nan 8.370 nan 0.000 0.531 332 R N -0.067 120.428 120.500 -0.007 0.000 2.127 332 R HA -0.041 4.299 4.340 -0.000 0.000 0.238 332 R C 0.443 176.751 176.300 0.014 0.000 1.134 332 R CA 0.675 56.781 56.100 0.009 0.000 0.975 332 R CB 0.088 30.396 30.300 0.013 0.000 0.865 332 R HN 0.032 nan 8.270 nan 0.000 0.447 333 V N 2.041 121.945 119.914 -0.018 0.000 2.540 333 V HA 0.263 4.383 4.120 -0.000 0.000 0.302 333 V C -0.294 175.805 176.094 0.008 0.000 1.035 333 V CA -0.810 61.505 62.300 0.025 0.000 0.873 333 V CB 2.134 34.003 31.823 0.077 0.000 0.992 333 V HN 0.031 nan 8.190 nan 0.000 0.428 334 K N 4.811 125.230 120.400 0.031 0.000 2.316 334 K HA 0.680 5.000 4.320 -0.000 0.000 0.251 334 K C -1.189 175.414 176.600 0.005 0.000 0.934 334 K CA -0.620 55.680 56.287 0.020 0.000 0.802 334 K CB 3.268 35.778 32.500 0.016 0.000 1.171 334 K HN 0.636 nan 8.250 nan 0.000 0.426 335 I N 1.246 121.804 120.570 -0.020 0.000 2.569 335 I HA 0.228 4.398 4.170 -0.000 0.000 0.290 335 I C -1.677 174.371 176.117 -0.115 0.000 1.088 335 I CA -0.453 60.794 61.300 -0.089 0.000 1.047 335 I CB 1.933 39.818 38.000 -0.193 0.000 1.237 335 I HN 0.478 nan 8.210 nan 0.000 0.421 336 D N 7.616 127.916 120.400 -0.167 0.000 2.473 336 D HA 0.346 4.986 4.640 -0.000 0.000 0.253 336 D C -0.217 175.904 176.300 -0.299 0.000 1.233 336 D CA -0.225 53.656 54.000 -0.198 0.000 0.908 336 D CB 1.438 42.135 40.800 -0.171 0.000 1.170 336 D HN 0.532 nan 8.370 nan 0.000 0.558 337 L N 2.349 123.392 121.223 -0.300 0.000 2.728 337 L HA 0.386 4.726 4.340 -0.000 0.000 0.238 337 L C 1.349 178.075 176.870 -0.240 0.000 1.143 337 L CA 0.127 54.748 54.840 -0.365 0.000 0.937 337 L CB 0.473 42.176 42.059 -0.594 0.000 1.225 337 L HN 0.673 nan 8.230 nan 0.000 0.507 338 G N 0.634 109.325 108.800 -0.182 0.000 2.131 338 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.201 338 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.201 338 G C 0.171 175.025 174.900 -0.077 0.000 1.000 338 G CA -0.188 44.841 45.100 -0.119 0.000 0.680 338 G HN 0.411 nan 8.290 nan 0.000 0.514 339 Q N 1.034 120.787 119.800 -0.077 0.000 2.392 339 Q HA 0.532 4.872 4.340 -0.000 0.000 0.262 339 Q C 0.777 176.760 176.000 -0.029 0.000 1.003 339 Q CA 0.431 56.212 55.803 -0.036 0.000 0.888 339 Q CB 0.998 29.719 28.738 -0.030 0.000 1.260 339 Q HN 0.890 nan 8.270 nan 0.000 0.435 340 S N 1.060 116.757 115.700 -0.006 0.000 2.626 340 S HA 0.753 5.223 4.470 -0.000 0.000 0.257 340 S C 0.436 175.033 174.600 -0.004 0.000 1.288 340 S CA -0.151 58.044 58.200 -0.009 0.000 0.980 340 S CB 0.937 64.147 63.200 0.016 0.000 0.975 340 S HN 0.985 nan 8.310 nan 0.000 0.577 341 G N -1.113 107.674 108.800 -0.022 0.000 2.682 341 G HA2 0.473 4.433 3.960 -0.000 0.000 0.303 341 G HA3 0.473 4.433 3.960 -0.000 0.000 0.303 341 G C -0.023 174.857 174.900 -0.034 0.000 1.341 341 G CA -0.150 44.941 45.100 -0.014 0.000 0.784 341 G HN 0.953 nan 8.290 nan 0.000 0.497 342 H N -1.486 117.517 119.070 -0.112 0.000 2.457 342 H HA 0.021 4.577 4.556 -0.000 0.000 0.294 342 H C 1.991 177.060 175.328 -0.432 0.000 1.064 342 H CA 2.195 58.074 56.048 -0.281 0.000 1.330 342 H CB 0.169 29.513 29.762 -0.697 0.000 1.395 342 H HN 0.388 nan 8.280 nan 0.000 0.541 343 S N -0.372 114.777 115.700 -0.918 0.000 2.577 343 S HA 0.200 4.670 4.470 -0.000 0.000 0.219 343 S C 0.378 174.776 174.600 -0.337 0.000 0.962 343 S CA -0.510 57.303 58.200 -0.647 0.000 0.921 343 S CB -0.091 62.656 63.200 -0.755 0.000 0.789 343 S HN 0.288 nan 8.310 nan 0.000 0.497 344 S N 3.024 118.583 115.700 -0.236 0.000 2.572 344 S HA 0.155 4.625 4.470 -0.000 0.000 0.279 344 S C -0.207 174.343 174.600 -0.084 0.000 1.341 344 S CA -0.302 57.821 58.200 -0.128 0.000 1.043 344 S CB 0.179 63.337 63.200 -0.070 0.000 0.887 344 S HN 0.445 nan 8.310 nan 0.000 0.516 345 D N 1.561 121.921 120.400 -0.065 0.000 2.487 345 D HA 0.282 4.922 4.640 -0.000 0.000 0.243 345 D C 1.232 177.527 176.300 -0.008 0.000 1.154 345 D CA 1.298 55.276 54.000 -0.038 0.000 0.876 345 D CB 0.172 40.952 40.800 -0.034 0.000 1.161 345 D HN 0.868 nan 8.370 nan 0.000 0.478 346 G N 1.719 110.527 108.800 0.013 0.000 2.176 346 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.252 346 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.252 346 G C 0.529 175.477 174.900 0.080 0.000 1.024 346 G CA 0.131 45.257 45.100 0.043 0.000 0.755 346 G HN 0.863 nan 8.290 nan 0.000 0.507 347 A N -0.672 122.212 122.820 0.108 0.000 2.540 347 A HA 0.559 4.879 4.320 -0.000 0.000 0.239 347 A C 1.010 178.800 177.584 0.343 0.000 1.061 347 A CA 0.704 52.871 52.037 0.218 0.000 0.758 347 A CB 0.355 19.491 19.000 0.225 0.000 0.991 347 A HN 1.944 nan 8.150 nan 0.000 0.502 348 V N 0.276 120.330 119.914 0.234 0.000 2.630 348 V HA 0.828 4.948 4.120 -0.000 0.000 0.305 348 V C 0.641 176.517 176.094 -0.363 0.000 1.046 348 V CA -0.663 61.649 62.300 0.020 0.000 0.934 348 V CB 0.819 32.618 31.823 -0.041 0.000 1.003 348 V HN 1.577 nan 8.190 nan 0.000 0.451 349 A N 2.844 125.118 122.820 -0.910 0.000 2.448 349 A HA 0.396 4.716 4.320 -0.000 0.000 0.239 349 A C 1.359 178.384 177.584 -0.931 0.000 1.080 349 A CA 0.586 51.680 52.037 -1.572 0.000 0.779 349 A CB -0.158 18.183 19.000 -1.098 0.000 1.026 349 A HN 1.111 nan 8.150 nan 0.000 0.499 350 T N 0.822 114.723 114.554 -1.088 0.000 2.867 350 T HA -0.135 4.215 4.350 -0.000 0.000 0.268 350 T C 1.355 175.831 174.700 -0.373 0.000 1.057 350 T CA 1.749 63.452 62.100 -0.661 0.000 1.136 350 T CB -0.384 68.046 68.868 -0.730 0.000 0.874 350 T HN 0.888 nan 8.240 nan 0.000 0.466 351 D N 2.165 122.381 120.400 -0.307 0.000 2.144 351 D HA 0.020 4.660 4.640 -0.000 0.000 0.200 351 D C 2.214 178.458 176.300 -0.093 0.000 0.978 351 D CA 1.132 55.105 54.000 -0.046 0.000 0.833 351 D CB -0.803 40.055 40.800 0.097 0.000 0.961 351 D HN 0.423 nan 8.370 nan 0.000 0.470 352 A N 0.706 123.428 122.820 -0.165 0.000 1.877 352 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 352 A C 2.215 179.748 177.584 -0.084 0.000 1.186 352 A CA 1.465 53.432 52.037 -0.117 0.000 0.620 352 A CB -0.995 17.917 19.000 -0.147 0.000 0.822 352 A HN 0.258 nan 8.150 nan 0.000 0.443 353 L N -0.607 120.539 121.223 -0.128 0.000 2.021 353 L HA -0.205 4.134 4.340 -0.000 0.000 0.215 353 L C 2.307 179.186 176.870 0.015 0.000 1.074 353 L CA 2.409 57.218 54.840 -0.053 0.000 0.760 353 L CB -0.630 41.373 42.059 -0.093 0.000 0.889 353 L HN 0.400 nan 8.230 nan 0.000 0.433 354 L N -0.452 120.758 121.223 -0.021 0.000 2.056 354 L HA -0.204 4.136 4.340 -0.000 0.000 0.207 354 L C 2.570 179.487 176.870 0.078 0.000 1.078 354 L CA 2.075 56.927 54.840 0.020 0.000 0.749 354 L CB -0.781 41.271 42.059 -0.012 0.000 0.901 354 L HN 0.367 nan 8.230 nan 0.000 0.433 355 K N -0.647 119.778 120.400 0.042 0.000 2.026 355 K HA -0.185 4.135 4.320 -0.000 0.000 0.208 355 K C 2.031 178.666 176.600 0.058 0.000 1.048 355 K CA 1.415 57.729 56.287 0.045 0.000 0.929 355 K CB -0.299 32.210 32.500 0.015 0.000 0.713 355 K HN 0.457 nan 8.250 nan 0.000 0.439 356 A N 0.365 123.217 122.820 0.053 0.000 1.883 356 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 356 A C 2.075 179.707 177.584 0.080 0.000 1.186 356 A CA 1.623 53.692 52.037 0.053 0.000 0.624 356 A CB -1.037 17.989 19.000 0.043 0.000 0.822 356 A HN 0.564 nan 8.150 nan 0.000 0.444 357 Y N 0.429 120.731 120.300 0.004 0.000 2.097 357 Y HA -0.314 4.236 4.550 -0.000 0.000 0.282 357 Y C 2.741 178.646 175.900 0.008 0.000 1.152 357 Y CA 2.522 60.630 58.100 0.014 0.000 1.136 357 Y CB -0.317 38.154 38.460 0.017 0.000 0.975 357 Y HN 0.447 nan 8.280 nan 0.000 0.498 358 Q N -0.507 119.425 119.800 0.219 0.000 2.124 358 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 358 Q C 2.150 178.178 176.000 0.048 0.000 0.977 358 Q CA 1.712 57.593 55.803 0.130 0.000 0.850 358 Q CB -0.169 28.635 28.738 0.110 0.000 0.901 358 Q HN 0.473 nan 8.270 nan 0.000 0.429 359 R N -1.010 119.510 120.500 0.032 0.000 2.246 359 R HA 0.060 4.400 4.340 -0.000 0.000 0.199 359 R C 0.988 177.277 176.300 -0.018 0.000 0.984 359 R CA 0.611 56.716 56.100 0.008 0.000 1.015 359 R CB 0.431 30.738 30.300 0.012 0.000 0.930 359 R HN 0.373 nan 8.270 nan 0.000 0.475 360 G N 0.703 109.476 108.800 -0.046 0.000 2.132 360 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.234 360 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.234 360 G C 0.631 175.495 174.900 -0.060 0.000 0.989 360 G CA 0.497 45.548 45.100 -0.082 0.000 0.676 360 G HN 0.436 nan 8.290 nan 0.000 0.522 361 S N -1.257 114.421 115.700 -0.037 0.000 2.539 361 S HA 0.699 5.169 4.470 -0.000 0.000 0.221 361 S C 1.210 175.802 174.600 -0.014 0.000 0.987 361 S CA 1.087 59.275 58.200 -0.020 0.000 0.929 361 S CB 0.771 63.967 63.200 -0.006 0.000 0.832 361 S HN 1.848 nan 8.310 nan 0.000 0.492 362 A N 2.946 125.752 122.820 -0.023 0.000 2.440 362 A HA 0.524 4.844 4.320 -0.000 0.000 0.251 362 A C 0.913 178.498 177.584 0.002 0.000 1.089 362 A CA -0.066 51.976 52.037 0.009 0.000 0.779 362 A CB -0.176 18.850 19.000 0.043 0.000 1.022 362 A HN 0.589 nan 8.150 nan 0.000 0.492 363 T N 0.173 114.741 114.554 0.023 0.000 2.766 363 T HA 0.232 4.582 4.350 -0.000 0.000 0.295 363 T C 1.346 176.070 174.700 0.041 0.000 1.024 363 T CA 0.422 62.536 62.100 0.023 0.000 1.018 363 T CB 0.216 69.097 68.868 0.022 0.000 1.002 363 T HN 0.550 nan 8.240 nan 0.000 0.532 364 T N 1.332 115.909 114.554 0.039 0.000 2.684 364 T HA -0.101 4.248 4.350 -0.000 0.000 0.267 364 T C 2.391 177.132 174.700 0.068 0.000 1.036 364 T CA 1.614 63.750 62.100 0.060 0.000 1.148 364 T CB -0.964 67.931 68.868 0.046 0.000 0.863 364 T HN 0.810 nan 8.240 nan 0.000 0.436 365 A N 1.112 123.957 122.820 0.043 0.000 1.972 365 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 365 A C 2.268 179.887 177.584 0.058 0.000 1.169 365 A CA 1.483 53.540 52.037 0.033 0.000 0.635 365 A CB -0.555 18.452 19.000 0.012 0.000 0.810 365 A HN 0.577 nan 8.150 nan 0.000 0.446 366 Q N -0.514 119.332 119.800 0.076 0.000 2.137 366 Q HA -0.083 4.257 4.340 -0.000 0.000 0.198 366 Q C 1.997 178.109 176.000 0.186 0.000 0.960 366 Q CA 1.262 57.128 55.803 0.104 0.000 0.847 366 Q CB -0.118 28.674 28.738 0.088 0.000 0.915 366 Q HN 0.628 nan 8.270 nan 0.000 0.448 367 K N 0.308 120.845 120.400 0.228 0.000 2.026 367 K HA -0.107 4.213 4.320 -0.000 0.000 0.208 367 K C 2.066 178.877 176.600 0.352 0.000 1.048 367 K CA 0.874 57.410 56.287 0.415 0.000 0.929 367 K CB 0.002 32.680 32.500 0.298 0.000 0.713 367 K HN 0.018 nan 8.250 nan 0.000 0.439 368 R N 1.182 121.805 120.500 0.205 0.000 2.120 368 R HA -0.130 4.210 4.340 -0.000 0.000 0.234 368 R C 2.051 178.386 176.300 0.057 0.000 1.123 368 R CA 1.203 57.359 56.100 0.095 0.000 0.975 368 R CB -0.499 29.799 30.300 -0.004 0.000 0.866 368 R HN 0.482 nan 8.270 nan 0.000 0.446 369 E N 0.387 120.630 120.200 0.072 0.000 2.051 369 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 369 E C 1.812 178.443 176.600 0.051 0.000 0.991 369 E CA 0.900 57.333 56.400 0.055 0.000 0.799 369 E CB -0.040 29.695 29.700 0.059 0.000 0.748 369 E HN 0.096 nan 8.360 nan 0.000 0.449 370 L N 1.367 122.623 121.223 0.054 0.000 2.072 370 L HA -0.111 4.229 4.340 -0.000 0.000 0.205 370 L C 1.890 178.743 176.870 -0.030 0.000 1.079 370 L CA 1.795 56.610 54.840 -0.042 0.000 0.752 370 L CB -0.255 41.698 42.059 -0.177 0.000 0.906 370 L HN 0.114 nan 8.230 nan 0.000 0.436 371 E N -0.998 119.238 120.200 0.059 0.000 2.077 371 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 371 E C 2.007 178.691 176.600 0.141 0.000 0.989 371 E CA 1.943 58.431 56.400 0.147 0.000 0.800 371 E CB -0.310 29.592 29.700 0.335 0.000 0.746 371 E HN 0.706 nan 8.360 nan 0.000 0.452 372 T N -0.463 114.138 114.554 0.078 0.000 2.904 372 T HA -0.043 4.307 4.350 -0.000 0.000 0.267 372 T C 2.000 176.811 174.700 0.185 0.000 1.059 372 T CA 0.481 62.639 62.100 0.097 0.000 1.137 372 T CB -0.279 68.593 68.868 0.006 0.000 0.879 372 T HN 0.031 nan 8.240 nan 0.000 0.467 373 L N 0.627 121.921 121.223 0.119 0.000 2.046 373 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 373 L C 2.943 179.885 176.870 0.119 0.000 1.077 373 L CA 1.015 55.916 54.840 0.100 0.000 0.747 373 L CB -0.539 41.524 42.059 0.007 0.000 0.896 373 L HN 0.193 nan 8.230 nan 0.000 0.432 374 V N -0.925 119.054 119.914 0.108 0.000 2.295 374 V HA -0.343 3.777 4.120 -0.000 0.000 0.246 374 V C 2.186 178.412 176.094 0.221 0.000 1.049 374 V CA 1.892 64.280 62.300 0.146 0.000 1.024 374 V CB -0.720 31.154 31.823 0.084 0.000 0.648 374 V HN 0.423 nan 8.190 nan 0.000 0.447 375 Y N 1.602 121.987 120.300 0.142 0.000 2.040 375 Y HA -0.343 4.207 4.550 -0.000 0.000 0.275 375 Y C 2.519 178.531 175.900 0.186 0.000 1.171 375 Y CA 2.260 60.454 58.100 0.156 0.000 1.123 375 Y CB -0.339 38.196 38.460 0.125 0.000 0.963 375 Y HN 0.153 nan 8.280 nan 0.000 0.493 376 K N -1.343 119.171 120.400 0.190 0.000 2.147 376 K HA -0.219 4.101 4.320 -0.000 0.000 0.205 376 K C 1.956 178.731 176.600 0.293 0.000 1.049 376 K CA 1.401 57.795 56.287 0.177 0.000 0.936 376 K CB -0.479 32.230 32.500 0.347 0.000 0.722 376 K HN 0.370 nan 8.250 nan 0.000 0.446 377 Y N 1.207 121.581 120.300 0.124 0.000 2.242 377 Y HA -0.062 4.488 4.550 -0.000 0.000 0.291 377 Y C 2.264 178.261 175.900 0.163 0.000 1.137 377 Y CA 1.110 59.305 58.100 0.158 0.000 1.181 377 Y CB -0.774 37.722 38.460 0.059 0.000 0.989 377 Y HN 0.037 nan 8.280 nan 0.000 0.527 378 G N 0.193 109.053 108.800 0.101 0.000 2.440 378 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 378 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 378 G C 1.891 176.887 174.900 0.160 0.000 1.154 378 G CA 0.786 45.894 45.100 0.014 0.000 0.767 378 G HN 0.312 nan 8.290 nan 0.000 0.552 379 R N -0.936 119.599 120.500 0.059 0.000 2.066 379 R HA -0.063 4.276 4.340 -0.000 0.000 0.232 379 R C 2.318 178.758 176.300 0.233 0.000 1.131 379 R CA 1.233 57.378 56.100 0.075 0.000 0.955 379 R CB -0.775 29.480 30.300 -0.074 0.000 0.851 379 R HN 0.516 nan 8.270 nan 0.000 0.432 380 Y N 2.016 122.485 120.300 0.281 0.000 2.128 380 Y HA -0.211 4.339 4.550 -0.000 0.000 0.284 380 Y C 2.061 178.124 175.900 0.273 0.000 1.154 380 Y CA 1.572 59.893 58.100 0.370 0.000 1.149 380 Y CB -0.393 38.316 38.460 0.415 0.000 0.976 380 Y HN -0.065 nan 8.280 nan 0.000 0.505 381 L N -0.722 120.624 121.223 0.205 0.000 2.201 381 L HA -0.207 4.133 4.340 -0.000 0.000 0.212 381 L C 2.271 179.378 176.870 0.395 0.000 1.105 381 L CA 1.569 56.517 54.840 0.180 0.000 0.775 381 L CB -0.813 41.197 42.059 -0.081 0.000 0.913 381 L HN 0.258 nan 8.230 nan 0.000 0.440 382 T N 0.266 115.049 114.554 0.381 0.000 2.708 382 T HA -0.149 4.201 4.350 -0.000 0.000 0.266 382 T C 1.901 176.630 174.700 0.049 0.000 1.037 382 T CA 1.399 63.569 62.100 0.118 0.000 1.146 382 T CB -0.213 68.625 68.868 -0.051 0.000 0.865 382 T HN 0.208 nan 8.240 nan 0.000 0.435 383 I N 1.324 121.917 120.570 0.038 0.000 2.226 383 I HA -0.087 4.083 4.170 -0.000 0.000 0.245 383 I C 2.897 179.054 176.117 0.067 0.000 1.100 383 I CA 1.305 62.618 61.300 0.022 0.000 1.374 383 I CB -0.692 37.293 38.000 -0.024 0.000 1.057 383 I HN 0.310 nan 8.210 nan 0.000 0.413 384 G N 0.060 108.900 108.800 0.066 0.000 2.443 384 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.219 384 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.219 384 G C 1.660 176.638 174.900 0.131 0.000 1.131 384 G CA 1.086 46.327 45.100 0.234 0.000 0.775 384 G HN 0.525 nan 8.290 nan 0.000 0.547 385 S N -2.240 113.502 115.700 0.071 0.000 2.526 385 S HA 0.388 4.858 4.470 -0.000 0.000 0.220 385 S C 0.705 175.247 174.600 -0.096 0.000 1.017 385 S CA 0.492 58.587 58.200 -0.175 0.000 0.930 385 S CB 0.631 63.723 63.200 -0.180 0.000 0.856 385 S HN 0.148 nan 8.310 nan 0.000 0.497 386 S N 1.699 117.382 115.700 -0.030 0.000 2.381 386 S HA 0.510 4.980 4.470 -0.000 0.000 0.193 386 S C -0.939 173.671 174.600 0.017 0.000 1.287 386 S CA -0.700 57.497 58.200 -0.006 0.000 1.199 386 S CB 0.232 63.410 63.200 -0.036 0.000 1.214 386 S HN 0.243 nan 8.310 nan 0.000 0.444 387 R N 1.974 122.490 120.500 0.027 0.000 2.758 387 R HA 0.378 4.718 4.340 -0.000 0.000 0.265 387 R C 1.548 177.872 176.300 0.040 0.000 1.016 387 R CA -0.712 55.412 56.100 0.039 0.000 1.040 387 R CB 0.491 30.825 30.300 0.056 0.000 1.152 387 R HN 0.697 nan 8.270 nan 0.000 0.503 388 E N 1.263 121.488 120.200 0.042 0.000 2.171 388 E HA -0.221 4.129 4.350 -0.000 0.000 0.197 388 E C 0.498 177.122 176.600 0.040 0.000 0.997 388 E CA 1.706 58.129 56.400 0.039 0.000 0.810 388 E CB -0.274 29.451 29.700 0.041 0.000 0.738 388 E HN 0.596 nan 8.360 nan 0.000 0.467 389 N N 0.628 119.356 118.700 0.047 0.000 2.235 389 N HA 0.030 4.770 4.740 -0.000 0.000 0.209 389 N C -0.425 175.117 175.510 0.054 0.000 1.122 389 N CA -0.282 52.798 53.050 0.051 0.000 0.845 389 N CB 0.115 38.637 38.487 0.058 0.000 1.004 389 N HN -0.140 nan 8.380 nan 0.000 0.499 390 S N 0.691 116.418 115.700 0.045 0.000 2.568 390 S HA 0.050 4.520 4.470 -0.000 0.000 0.282 390 S C 1.084 175.715 174.600 0.052 0.000 1.338 390 S CA -0.358 57.867 58.200 0.041 0.000 1.045 390 S CB 1.151 64.362 63.200 0.019 0.000 0.873 390 S HN 0.333 nan 8.310 nan 0.000 0.516 391 Q N 0.379 120.223 119.800 0.074 0.000 2.389 391 Q HA 0.211 4.551 4.340 -0.000 0.000 0.204 391 Q C -0.282 175.772 176.000 0.089 0.000 0.944 391 Q CA 0.698 56.571 55.803 0.117 0.000 0.908 391 Q CB 0.036 28.902 28.738 0.213 0.000 1.002 391 Q HN 0.512 nan 8.270 nan 0.000 0.493 392 L N 0.673 121.910 121.223 0.023 0.000 2.393 392 L HA 0.471 4.811 4.340 -0.000 0.000 0.260 392 L C -2.438 174.394 176.870 -0.063 0.000 1.002 392 L CA -2.447 52.361 54.840 -0.055 0.000 0.818 392 L CB 2.247 44.279 42.059 -0.044 0.000 1.369 392 L HN -0.147 nan 8.230 nan 0.000 0.412 393 P HA 0.102 nan 4.420 nan 0.000 0.275 393 P C -0.707 176.658 177.300 0.109 0.000 1.266 393 P CA -0.497 62.583 63.100 -0.033 0.000 0.793 393 P CB 0.554 32.122 31.700 -0.221 0.000 1.074 394 S N 0.331 116.104 115.700 0.123 0.000 2.552 394 S HA 0.071 4.541 4.470 -0.000 0.000 0.289 394 S C 0.485 175.104 174.600 0.032 0.000 1.304 394 S CA -0.400 57.800 58.200 0.000 0.000 1.063 394 S CB -0.843 62.284 63.200 -0.121 0.000 0.848 394 S HN 0.564 nan 8.310 nan 0.000 0.499 395 N N 3.021 121.619 118.700 -0.170 0.000 2.620 395 N HA 0.285 5.025 4.740 -0.000 0.000 0.307 395 N C 0.932 176.280 175.510 -0.271 0.000 1.316 395 N CA -0.919 51.889 53.050 -0.403 0.000 0.931 395 N CB -0.403 37.575 38.487 -0.849 0.000 1.116 395 N HN 0.490 nan 8.380 nan 0.000 0.573 396 L N -1.502 119.538 121.223 -0.304 0.000 2.261 396 L HA -0.135 4.205 4.340 -0.000 0.000 0.216 396 L C 1.245 177.915 176.870 -0.333 0.000 1.114 396 L CA 1.452 56.134 54.840 -0.264 0.000 0.777 396 L CB -0.403 41.527 42.059 -0.215 0.000 0.910 396 L HN 0.577 nan 8.230 nan 0.000 0.440 397 Q N -1.410 118.214 119.800 -0.292 0.000 2.155 397 Q HA 0.220 4.560 4.340 -0.000 0.000 0.220 397 Q C 1.176 177.229 176.000 0.089 0.000 0.819 397 Q CA 0.349 55.976 55.803 -0.294 0.000 1.032 397 Q CB 1.294 29.988 28.738 -0.073 0.000 1.151 397 Q HN 0.467 nan 8.270 nan 0.000 0.487 398 G N 2.586 111.394 108.800 0.013 0.000 2.950 398 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.299 398 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.299 398 G C 0.636 175.364 174.900 -0.286 0.000 1.310 398 G CA 0.570 45.699 45.100 0.048 0.000 0.994 398 G HN 0.517 nan 8.290 nan 0.000 0.575 399 I N -4.220 115.997 120.570 -0.588 0.000 4.442 399 I HA 0.450 4.620 4.170 -0.000 0.000 0.331 399 I C 0.023 175.978 176.117 -0.270 0.000 1.364 399 I CA -0.675 60.273 61.300 -0.586 0.000 1.207 399 I CB 0.338 37.880 38.000 -0.762 0.000 1.298 399 I HN 0.287 nan 8.210 nan 0.000 0.463 400 W N 3.578 125.069 121.300 0.320 0.000 2.361 400 W HA 0.640 5.300 4.660 -0.000 0.000 0.309 400 W C 0.175 177.064 176.519 0.616 0.000 1.122 400 W CA -0.551 57.078 57.345 0.473 0.000 1.208 400 W CB 1.485 31.285 29.460 0.567 0.000 1.246 400 W HN 0.233 nan 8.180 nan 0.000 0.490 401 S N 0.817 116.796 115.700 0.465 0.000 2.537 401 S HA 0.363 4.833 4.470 -0.000 0.000 0.271 401 S C -1.100 173.097 174.600 -0.673 0.000 1.148 401 S CA -0.698 57.455 58.200 -0.078 0.000 0.868 401 S CB 2.318 65.505 63.200 -0.022 0.000 1.115 401 S HN 0.236 nan 8.310 nan 0.000 0.461 402 V N 1.720 120.946 119.914 -1.146 0.000 3.635 402 V HA 0.296 4.416 4.120 -0.000 0.000 0.266 402 V C 0.710 176.527 176.094 -0.462 0.000 1.316 402 V CA 1.457 63.209 62.300 -0.913 0.000 1.060 402 V CB 0.049 31.162 31.823 -1.183 0.000 0.820 402 V HN 1.145 nan 8.190 nan 0.000 0.447 403 T N -0.117 114.189 114.554 -0.413 0.000 2.928 403 T HA 0.825 5.175 4.350 -0.000 0.000 0.284 403 T C -0.307 174.233 174.700 -0.267 0.000 1.008 403 T CA 0.062 61.971 62.100 -0.319 0.000 1.057 403 T CB 1.919 70.572 68.868 -0.358 0.000 1.018 403 T HN 0.727 nan 8.240 nan 0.000 0.493 404 A N 0.382 123.079 122.820 -0.204 0.000 2.589 404 A HA 0.925 5.245 4.320 -0.000 0.000 0.296 404 A C -0.254 177.265 177.584 -0.108 0.000 1.062 404 A CA -0.393 51.554 52.037 -0.150 0.000 0.686 404 A CB 1.497 20.499 19.000 0.003 0.000 1.282 404 A HN 1.632 nan 8.150 nan 0.000 0.404 405 G N -0.131 108.604 108.800 -0.109 0.000 2.601 405 G HA2 0.492 4.452 3.960 -0.000 0.000 0.291 405 G HA3 0.492 4.452 3.960 -0.000 0.000 0.291 405 G C -0.744 174.100 174.900 -0.094 0.000 1.456 405 G CA -0.235 44.816 45.100 -0.082 0.000 0.804 405 G HN 0.369 nan 8.290 nan 0.000 0.499 406 D N -0.394 119.969 120.400 -0.062 0.000 2.162 406 D HA 0.048 4.688 4.640 -0.000 0.000 0.203 406 D C 0.689 176.935 176.300 -0.090 0.000 0.967 406 D CA 0.976 54.936 54.000 -0.068 0.000 0.840 406 D CB 0.229 41.010 40.800 -0.033 0.000 0.972 406 D HN 0.248 nan 8.370 nan 0.000 0.482 407 N N -0.096 118.555 118.700 -0.082 0.000 2.443 407 N HA 0.521 5.261 4.740 -0.000 0.000 0.293 407 N C -0.457 174.981 175.510 -0.119 0.000 1.159 407 N CA -0.537 52.466 53.050 -0.079 0.000 0.904 407 N CB 1.409 39.877 38.487 -0.032 0.000 1.214 407 N HN -0.064 nan 8.380 nan 0.000 0.513 408 A N -0.142 122.586 122.820 -0.153 0.000 2.466 408 A HA 0.156 4.476 4.320 -0.000 0.000 0.238 408 A C -0.244 177.214 177.584 -0.211 0.000 1.074 408 A CA 0.210 52.074 52.037 -0.287 0.000 0.774 408 A CB -0.701 18.052 19.000 -0.412 0.000 1.015 408 A HN 0.967 nan 8.150 nan 0.000 0.498 409 H N -0.689 118.344 119.070 -0.062 0.000 2.770 409 H HA -0.205 4.351 4.556 -0.000 0.000 0.309 409 H C 0.993 176.257 175.328 -0.106 0.000 1.206 409 H CA 0.806 56.795 56.048 -0.097 0.000 1.147 409 H CB -1.544 28.177 29.762 -0.067 0.000 1.422 409 H HN 1.016 nan 8.280 nan 0.000 0.420 410 G N -0.186 108.573 108.800 -0.068 0.000 3.157 410 G HA2 0.032 3.992 3.960 -0.000 0.000 0.206 410 G HA3 0.032 3.992 3.960 -0.000 0.000 0.206 410 G C 1.115 175.943 174.900 -0.120 0.000 1.903 410 G CA 0.028 45.081 45.100 -0.079 0.000 0.771 410 G HN 0.229 nan 8.290 nan 0.000 0.750 411 N N 0.453 119.069 118.700 -0.140 0.000 2.463 411 N HA 0.094 4.834 4.740 -0.000 0.000 0.181 411 N C -0.038 175.342 175.510 -0.217 0.000 1.078 411 N CA 0.526 53.474 53.050 -0.169 0.000 0.902 411 N CB 0.380 38.772 38.487 -0.159 0.000 0.970 411 N HN 0.184 nan 8.380 nan 0.000 0.451 412 T N 2.874 117.304 114.554 -0.207 0.000 2.792 412 T HA 0.313 4.663 4.350 -0.000 0.000 0.280 412 T C -2.728 171.860 174.700 -0.186 0.000 0.990 412 T CA -1.432 60.546 62.100 -0.203 0.000 0.960 412 T CB 2.726 71.470 68.868 -0.207 0.000 0.939 412 T HN -0.039 nan 8.240 nan 0.000 0.439 413 P HA -0.009 nan 4.420 nan 0.000 0.271 413 P C 0.294 177.508 177.300 -0.143 0.000 1.226 413 P CA -0.045 62.838 63.100 -0.361 0.000 0.765 413 P CB 0.297 31.768 31.700 -0.382 0.000 0.835 414 W N 2.593 123.851 121.300 -0.070 0.000 4.973 414 W HA -0.199 4.461 4.660 -0.000 0.000 0.350 414 W C 1.183 177.654 176.519 -0.081 0.000 1.280 414 W CA 1.172 58.489 57.345 -0.048 0.000 0.854 414 W CB -2.751 26.626 29.460 -0.140 0.000 2.367 414 W HN 0.843 nan 8.180 nan 0.000 1.511 415 G N -0.530 108.256 108.800 -0.023 0.000 2.186 415 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.266 415 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.266 415 G C 0.675 175.471 174.900 -0.173 0.000 0.982 415 G CA 1.477 46.495 45.100 -0.137 0.000 0.670 415 G HN 1.458 nan 8.290 nan 0.000 0.533 416 S N -0.110 115.548 115.700 -0.069 0.000 3.559 416 S HA -0.206 4.264 4.470 -0.000 0.000 0.369 416 S C 0.799 175.252 174.600 -0.247 0.000 0.987 416 S CA 2.058 60.187 58.200 -0.119 0.000 1.187 416 S CB -1.512 61.648 63.200 -0.066 0.000 0.914 416 S HN 1.713 nan 8.310 nan 0.000 0.480 417 D N 0.035 120.372 120.400 -0.103 0.000 2.530 417 D HA 0.480 5.120 4.640 -0.000 0.000 0.282 417 D C -0.077 176.022 176.300 -0.335 0.000 1.204 417 D CA -0.631 53.345 54.000 -0.041 0.000 1.093 417 D CB -0.097 40.853 40.800 0.250 0.000 1.154 417 D HN 0.251 nan 8.370 nan 0.000 0.593 418 F N -0.321 119.712 119.950 0.139 0.000 2.332 418 F HA 0.250 4.777 4.527 -0.000 0.000 0.368 418 F C 0.391 176.207 175.800 0.027 0.000 1.110 418 F CA -0.663 57.321 58.000 -0.027 0.000 1.087 418 F CB 0.713 39.587 39.000 -0.211 0.000 1.235 418 F HN 0.164 nan 8.300 nan 0.000 0.470 419 H N 5.343 124.415 119.070 0.003 0.000 2.581 419 H HA 0.360 4.916 4.556 -0.000 0.000 0.308 419 H C 0.199 175.463 175.328 -0.107 0.000 1.040 419 H CA -0.179 55.844 56.048 -0.042 0.000 1.231 419 H CB 1.437 31.092 29.762 -0.179 0.000 1.396 419 H HN 0.654 nan 8.280 nan 0.000 0.467 420 M N 3.319 122.900 119.600 -0.030 0.000 2.560 420 M HA 0.006 4.486 4.480 -0.000 0.000 0.297 420 M C 0.664 176.925 176.300 -0.064 0.000 1.201 420 M CA 0.018 55.273 55.300 -0.074 0.000 0.973 420 M CB -0.029 32.571 32.600 -0.001 0.000 1.401 420 M HN 0.400 nan 8.290 nan 0.000 0.497 421 N N 0.219 118.916 118.700 -0.005 0.000 2.328 421 N HA 0.122 4.862 4.740 -0.000 0.000 0.247 421 N C 0.443 176.009 175.510 0.093 0.000 1.165 421 N CA -0.081 53.078 53.050 0.182 0.000 0.873 421 N CB 0.975 39.608 38.487 0.244 0.000 1.125 421 N HN 0.153 nan 8.380 nan 0.000 0.513 422 V N -0.879 118.763 119.914 -0.453 0.000 3.274 422 V HA -0.136 3.984 4.120 -0.000 0.000 0.323 422 V C 0.290 175.950 176.094 -0.724 0.000 2.208 422 V CA 0.924 62.810 62.300 -0.690 0.000 2.270 422 V CB -1.214 30.466 31.823 -0.239 0.000 0.961 422 V HN 0.220 nan 8.190 nan 0.000 0.699 423 N N 0.871 119.216 118.700 -0.591 0.000 2.109 423 N HA -0.030 4.709 4.740 -0.000 0.000 0.188 423 N C 1.402 176.652 175.510 -0.434 0.000 1.034 423 N CA 1.836 54.558 53.050 -0.547 0.000 0.846 423 N CB -0.154 38.029 38.487 -0.508 0.000 1.010 423 N HN 0.528 nan 8.380 nan 0.000 0.425 424 L N 1.046 122.073 121.223 -0.328 0.000 2.093 424 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 424 L C 1.823 178.512 176.870 -0.301 0.000 1.085 424 L CA 1.628 56.338 54.840 -0.217 0.000 0.755 424 L CB -0.527 41.467 42.059 -0.109 0.000 0.904 424 L HN 0.087 nan 8.230 nan 0.000 0.435 425 Q N -1.029 118.451 119.800 -0.533 0.000 2.061 425 Q HA -0.269 4.071 4.340 -0.000 0.000 0.204 425 Q C 2.313 177.673 176.000 -1.068 0.000 0.984 425 Q CA 2.546 57.961 55.803 -0.647 0.000 0.846 425 Q CB -0.482 27.680 28.738 -0.960 0.000 0.902 425 Q HN 0.565 nan 8.270 nan 0.000 0.421 426 M N 0.386 119.166 119.600 -1.367 0.000 2.108 426 M HA -0.245 4.235 4.480 -0.000 0.000 0.261 426 M C 1.008 176.951 176.300 -0.595 0.000 1.066 426 M CA 1.516 55.962 55.300 -1.423 0.000 1.107 426 M CB -0.060 32.024 32.600 -0.860 0.000 1.356 426 M HN 0.175 nan 8.290 nan 0.000 0.406 427 N N -0.296 118.141 118.700 -0.439 0.000 2.192 427 N HA -0.185 4.555 4.740 -0.000 0.000 0.188 427 N C 0.447 175.369 175.510 -0.981 0.000 1.013 427 N CA 1.465 54.164 53.050 -0.585 0.000 0.863 427 N CB -0.393 37.772 38.487 -0.535 0.000 0.990 427 N HN 0.545 nan 8.380 nan 0.000 0.430 428 Y N -1.761 118.294 120.300 -0.408 0.000 2.681 428 Y HA 0.169 4.719 4.550 -0.000 0.000 0.267 428 Y C 0.723 176.612 175.900 -0.017 0.000 1.166 428 Y CA -0.860 57.065 58.100 -0.292 0.000 1.209 428 Y CB -0.042 38.273 38.460 -0.241 0.000 1.161 428 Y HN 0.029 nan 8.280 nan 0.000 0.534 429 W N 1.327 122.643 121.300 0.028 0.000 2.418 429 W HA 0.017 4.676 4.660 -0.000 0.000 0.292 429 W C -0.680 175.900 176.519 0.102 0.000 1.213 429 W CA 0.516 57.957 57.345 0.160 0.000 1.283 429 W CB -1.801 27.848 29.460 0.316 0.000 1.119 429 W HN 0.113 nan 8.180 nan 0.000 0.542 430 P HA 0.082 nan 4.420 nan 0.000 0.261 430 P C 1.131 178.389 177.300 -0.069 0.000 1.268 430 P CA 0.997 64.168 63.100 0.119 0.000 0.833 430 P CB 0.095 31.870 31.700 0.124 0.000 1.231 431 T N -0.817 113.588 114.554 -0.249 0.000 2.788 431 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 431 T C 1.352 175.756 174.700 -0.492 0.000 1.044 431 T CA 1.671 63.507 62.100 -0.439 0.000 1.139 431 T CB -0.729 67.789 68.868 -0.583 0.000 0.867 431 T HN 0.138 nan 8.240 nan 0.000 0.454 432 Y N 1.588 121.740 120.300 -0.248 0.000 2.266 432 Y HA 0.075 4.625 4.550 -0.000 0.000 0.294 432 Y C 3.032 178.666 175.900 -0.443 0.000 1.127 432 Y CA 0.530 58.325 58.100 -0.508 0.000 1.140 432 Y CB -0.978 36.767 38.460 -1.191 0.000 1.071 432 Y HN 0.226 nan 8.280 nan 0.000 0.525 433 S N 0.545 116.095 115.700 -0.250 0.000 2.400 433 S HA -0.151 4.319 4.470 -0.000 0.000 0.232 433 S C 1.805 176.477 174.600 0.119 0.000 1.025 433 S CA 0.947 59.188 58.200 0.070 0.000 0.993 433 S CB -0.714 62.612 63.200 0.211 0.000 0.808 433 S HN 0.317 nan 8.310 nan 0.000 0.478 434 A N 1.003 123.865 122.820 0.070 0.000 2.411 434 A HA 0.399 4.719 4.320 -0.000 0.000 0.251 434 A C 0.759 178.368 177.584 0.041 0.000 1.317 434 A CA -0.048 52.044 52.037 0.091 0.000 0.904 434 A CB -0.782 18.254 19.000 0.060 0.000 0.993 434 A HN 0.481 nan 8.150 nan 0.000 0.504 435 N N -0.984 117.738 118.700 0.037 0.000 2.758 435 N HA -0.147 4.593 4.740 -0.000 0.000 0.248 435 N C -0.003 175.510 175.510 0.005 0.000 1.076 435 N CA 1.220 54.293 53.050 0.039 0.000 0.696 435 N CB -1.470 37.052 38.487 0.057 0.000 0.979 435 N HN 0.626 nan 8.380 nan 0.000 0.550 436 M N -1.453 118.129 119.600 -0.031 0.000 3.002 436 M HA 0.265 4.745 4.480 -0.000 0.000 0.398 436 M C 1.705 177.972 176.300 -0.056 0.000 1.366 436 M CA 0.079 55.351 55.300 -0.047 0.000 0.824 436 M CB 0.591 33.143 32.600 -0.079 0.000 1.414 436 M HN 0.169 nan 8.290 nan 0.000 0.501 437 G N 1.600 110.409 108.800 0.013 0.000 2.469 437 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.219 437 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.219 437 G C 1.397 176.358 174.900 0.102 0.000 1.150 437 G CA 1.259 46.429 45.100 0.117 0.000 0.763 437 G HN 0.634 nan 8.290 nan 0.000 0.561 438 E N 1.036 121.277 120.200 0.067 0.000 2.265 438 E HA -0.097 4.253 4.350 -0.000 0.000 0.196 438 E C 2.235 178.860 176.600 0.041 0.000 0.996 438 E CA 0.541 56.976 56.400 0.059 0.000 0.832 438 E CB -0.574 29.155 29.700 0.048 0.000 0.756 438 E HN 0.504 nan 8.360 nan 0.000 0.491 439 L N 0.381 121.612 121.223 0.015 0.000 2.610 439 L HA 0.125 4.465 4.340 -0.000 0.000 0.232 439 L C 2.286 179.194 176.870 0.064 0.000 1.149 439 L CA 0.574 55.424 54.840 0.017 0.000 0.872 439 L CB -0.397 41.647 42.059 -0.024 0.000 0.992 439 L HN 0.119 nan 8.230 nan 0.000 0.447 440 A N -0.044 122.794 122.820 0.030 0.000 2.169 440 A HA -0.124 4.196 4.320 -0.000 0.000 0.212 440 A C 2.109 179.661 177.584 -0.053 0.000 1.153 440 A CA 0.739 52.772 52.037 -0.006 0.000 0.756 440 A CB -0.104 18.907 19.000 0.018 0.000 0.813 440 A HN 0.315 nan 8.150 nan 0.000 0.471 441 E N 1.320 121.525 120.200 0.008 0.000 2.086 441 E HA -0.177 4.173 4.350 -0.000 0.000 0.200 441 E C -0.691 175.883 176.600 -0.043 0.000 1.012 441 E CA 2.468 58.867 56.400 -0.001 0.000 0.812 441 E CB -0.971 28.742 29.700 0.022 0.000 0.743 441 E HN 0.464 nan 8.360 nan 0.000 0.453 442 P HA -0.130 nan 4.420 nan 0.000 0.220 442 P C 1.589 178.799 177.300 -0.150 0.000 1.148 442 P CA 0.881 63.943 63.100 -0.064 0.000 0.803 442 P CB -0.085 31.597 31.700 -0.029 0.000 0.782 443 L N -0.396 120.627 121.223 -0.334 0.000 2.056 443 L HA -0.086 4.254 4.340 -0.000 0.000 0.207 443 L C 2.407 179.165 176.870 -0.187 0.000 1.078 443 L CA 1.591 56.165 54.840 -0.444 0.000 0.749 443 L CB -1.120 40.350 42.059 -0.981 0.000 0.901 443 L HN -0.195 nan 8.230 nan 0.000 0.433 444 I N -0.645 119.847 120.570 -0.130 0.000 2.179 444 I HA -0.290 3.880 4.170 -0.000 0.000 0.242 444 I C 2.506 178.593 176.117 -0.050 0.000 1.088 444 I CA 1.705 62.974 61.300 -0.053 0.000 1.357 444 I CB -0.534 37.460 38.000 -0.010 0.000 1.051 444 I HN 0.396 nan 8.210 nan 0.000 0.409 445 E N 0.525 120.698 120.200 -0.045 0.000 2.110 445 E HA -0.284 4.066 4.350 -0.000 0.000 0.193 445 E C 2.270 178.837 176.600 -0.055 0.000 0.988 445 E CA 1.284 57.657 56.400 -0.044 0.000 0.804 445 E CB -0.162 29.525 29.700 -0.022 0.000 0.745 445 E HN 0.478 nan 8.360 nan 0.000 0.458 446 Y N 0.625 120.817 120.300 -0.181 0.000 2.128 446 Y HA -0.249 4.301 4.550 -0.000 0.000 0.284 446 Y C 2.066 177.849 175.900 -0.195 0.000 1.154 446 Y CA 1.679 59.639 58.100 -0.232 0.000 1.149 446 Y CB -0.317 37.931 38.460 -0.354 0.000 0.976 446 Y HN -0.090 nan 8.280 nan 0.000 0.505 447 V N 0.444 120.307 119.914 -0.086 0.000 2.358 447 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 447 V C 2.127 178.096 176.094 -0.209 0.000 1.047 447 V CA 2.222 64.451 62.300 -0.118 0.000 1.035 447 V CB -0.660 31.155 31.823 -0.013 0.000 0.658 447 V HN 0.401 nan 8.190 nan 0.000 0.452 448 E N 0.489 120.576 120.200 -0.188 0.000 2.130 448 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 448 E C 2.285 178.719 176.600 -0.277 0.000 0.998 448 E CA 1.321 57.581 56.400 -0.235 0.000 0.806 448 E CB -0.505 29.100 29.700 -0.157 0.000 0.738 448 E HN 0.659 nan 8.360 nan 0.000 0.459 449 G N 0.818 109.458 108.800 -0.268 0.000 2.470 449 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.220 449 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.220 449 G C 1.445 176.164 174.900 -0.302 0.000 1.121 449 G CA 0.322 45.264 45.100 -0.263 0.000 0.766 449 G HN 0.120 nan 8.290 nan 0.000 0.553 450 L N 0.391 121.390 121.223 -0.374 0.000 2.395 450 L HA 0.030 4.370 4.340 -0.000 0.000 0.218 450 L C 2.705 179.408 176.870 -0.278 0.000 1.130 450 L CA -0.208 54.457 54.840 -0.293 0.000 0.826 450 L CB -0.161 41.761 42.059 -0.228 0.000 0.941 450 L HN 0.049 nan 8.230 nan 0.000 0.451 451 V N 0.305 119.954 119.914 -0.442 0.000 2.237 451 V HA -0.305 3.815 4.120 -0.000 0.000 0.245 451 V C 2.484 178.348 176.094 -0.383 0.000 1.046 451 V CA 1.877 63.832 62.300 -0.574 0.000 1.007 451 V CB -0.518 30.874 31.823 -0.719 0.000 0.638 451 V HN 0.430 nan 8.190 nan 0.000 0.445 452 K N 0.315 120.470 120.400 -0.408 0.000 2.002 452 K HA -0.121 4.199 4.320 -0.000 0.000 0.209 452 K C 0.040 176.216 176.600 -0.706 0.000 1.048 452 K CA 1.909 57.866 56.287 -0.550 0.000 0.930 452 K CB -1.458 30.649 32.500 -0.656 0.000 0.714 452 K HN 0.472 nan 8.250 nan 0.000 0.438 453 P HA -0.125 nan 4.420 nan 0.000 0.219 453 P C 1.414 178.594 177.300 -0.199 0.000 1.150 453 P CA 1.645 64.523 63.100 -0.371 0.000 0.814 453 P CB -0.164 31.515 31.700 -0.034 0.000 0.787 454 G N 0.485 109.177 108.800 -0.181 0.000 2.448 454 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.219 454 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.219 454 G C 1.789 176.596 174.900 -0.155 0.000 1.127 454 G CA 0.256 45.285 45.100 -0.119 0.000 0.766 454 G HN 0.248 nan 8.290 nan 0.000 0.552 455 R N -0.305 120.089 120.500 -0.178 0.000 2.115 455 R HA 0.026 4.366 4.340 -0.000 0.000 0.230 455 R C 2.591 178.804 176.300 -0.145 0.000 1.111 455 R CA 0.829 56.821 56.100 -0.181 0.000 0.976 455 R CB -0.299 29.898 30.300 -0.171 0.000 0.870 455 R HN 0.309 nan 8.270 nan 0.000 0.445 456 V N 0.420 120.259 119.914 -0.124 0.000 2.270 456 V HA -0.246 3.874 4.120 -0.000 0.000 0.245 456 V C 2.117 178.197 176.094 -0.023 0.000 1.043 456 V CA 2.250 64.513 62.300 -0.061 0.000 1.014 456 V CB -0.641 31.168 31.823 -0.024 0.000 0.645 456 V HN 0.370 nan 8.190 nan 0.000 0.447 457 T N 0.675 115.228 114.554 -0.003 0.000 2.684 457 T HA -0.228 4.122 4.350 -0.000 0.000 0.267 457 T C 2.090 176.867 174.700 0.129 0.000 1.036 457 T CA 1.819 63.992 62.100 0.123 0.000 1.148 457 T CB -0.560 68.337 68.868 0.049 0.000 0.863 457 T HN 0.575 nan 8.240 nan 0.000 0.436 458 A N 1.661 124.437 122.820 -0.072 0.000 1.908 458 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 458 A C 2.243 179.798 177.584 -0.050 0.000 1.181 458 A CA 2.127 54.073 52.037 -0.152 0.000 0.627 458 A CB -0.617 18.068 19.000 -0.525 0.000 0.818 458 A HN 0.498 nan 8.150 nan 0.000 0.445 459 K N -0.391 119.962 120.400 -0.078 0.000 2.026 459 K HA -0.102 4.218 4.320 -0.000 0.000 0.208 459 K C 1.874 178.449 176.600 -0.041 0.000 1.048 459 K CA 1.753 58.001 56.287 -0.066 0.000 0.929 459 K CB -0.284 32.177 32.500 -0.065 0.000 0.713 459 K HN 0.254 nan 8.250 nan 0.000 0.439 460 V N 0.328 120.212 119.914 -0.050 0.000 2.307 460 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 460 V C 1.779 177.716 176.094 -0.262 0.000 1.045 460 V CA 1.650 63.829 62.300 -0.202 0.000 1.024 460 V CB -0.470 31.154 31.823 -0.331 0.000 0.651 460 V HN 0.316 nan 8.190 nan 0.000 0.449 461 Y N -0.763 119.595 120.300 0.096 0.000 2.509 461 Y HA 0.427 4.977 4.550 -0.000 0.000 0.270 461 Y C 2.023 178.047 175.900 0.208 0.000 1.103 461 Y CA 0.779 58.995 58.100 0.193 0.000 1.278 461 Y CB 0.080 38.752 38.460 0.353 0.000 1.087 461 Y HN 0.190 nan 8.280 nan 0.000 0.542 462 A N -1.016 121.973 122.820 0.281 0.000 2.508 462 A HA 0.510 4.830 4.320 -0.000 0.000 0.250 462 A C 1.698 179.362 177.584 0.133 0.000 1.208 462 A CA 0.428 52.605 52.037 0.232 0.000 0.960 462 A CB -0.433 18.753 19.000 0.310 0.000 1.099 462 A HN 0.408 nan 8.150 nan 0.000 0.542 463 G N -0.656 108.180 108.800 0.060 0.000 2.198 463 G HA2 0.059 4.019 3.960 -0.000 0.000 0.260 463 G HA3 0.059 4.019 3.960 -0.000 0.000 0.260 463 G C 0.386 175.248 174.900 -0.064 0.000 1.025 463 G CA 0.400 45.520 45.100 0.034 0.000 0.769 463 G HN 1.707 nan 8.290 nan 0.000 0.507 464 A N 0.250 122.879 122.820 -0.318 0.000 2.621 464 A HA 0.658 4.978 4.320 -0.000 0.000 0.329 464 A C 0.278 177.712 177.584 -0.251 0.000 1.458 464 A CA 0.225 51.852 52.037 -0.683 0.000 1.052 464 A CB 0.325 18.702 19.000 -1.038 0.000 1.142 464 A HN 0.611 nan 8.150 nan 0.000 0.523 465 E N 2.404 122.551 120.200 -0.088 0.000 2.146 465 E HA 0.347 4.696 4.350 -0.000 0.000 0.282 465 E C -0.699 175.894 176.600 -0.012 0.000 0.989 465 E CA -0.293 56.082 56.400 -0.040 0.000 0.799 465 E CB 0.718 30.414 29.700 -0.006 0.000 1.088 465 E HN 0.442 nan 8.360 nan 0.000 0.397 466 T N 4.076 118.608 114.554 -0.036 0.000 2.743 466 T HA 0.198 4.548 4.350 -0.000 0.000 0.293 466 T C -0.026 174.664 174.700 -0.018 0.000 0.945 466 T CA -0.558 61.527 62.100 -0.024 0.000 1.030 466 T CB 0.953 69.790 68.868 -0.052 0.000 0.912 466 T HN 0.588 nan 8.240 nan 0.000 0.483 467 T N 1.045 115.597 114.554 -0.004 0.000 2.899 467 T HA 0.336 4.686 4.350 -0.000 0.000 0.284 467 T C 0.391 175.085 174.700 -0.009 0.000 1.004 467 T CA -0.953 61.146 62.100 -0.002 0.000 1.043 467 T CB 0.063 68.936 68.868 0.008 0.000 1.013 467 T HN 0.704 nan 8.240 nan 0.000 0.518 468 N N 1.006 119.702 118.700 -0.006 0.000 2.725 468 N HA -0.116 4.624 4.740 -0.000 0.000 0.251 468 N C -1.999 173.501 175.510 -0.018 0.000 1.031 468 N CA 0.407 53.452 53.050 -0.009 0.000 0.720 468 N CB -0.770 37.712 38.487 -0.009 0.000 0.930 468 N HN 0.613 nan 8.380 nan 0.000 0.543 469 P HA -0.171 nan 4.420 nan 0.000 0.231 469 P C 0.954 178.232 177.300 -0.036 0.000 1.158 469 P CA 1.292 64.369 63.100 -0.039 0.000 0.763 469 P CB 0.327 32.002 31.700 -0.042 0.000 0.805 470 E N 0.827 121.020 120.200 -0.011 0.000 2.190 470 E HA -0.071 4.279 4.350 -0.000 0.000 0.191 470 E C 1.627 178.214 176.600 -0.022 0.000 0.978 470 E CA 1.434 57.832 56.400 -0.003 0.000 0.839 470 E CB -0.625 29.082 29.700 0.012 0.000 0.787 470 E HN 0.183 nan 8.360 nan 0.000 0.473 471 T N -2.820 111.720 114.554 -0.023 0.000 3.023 471 T HA 0.180 4.530 4.350 -0.000 0.000 0.253 471 T C 0.503 175.183 174.700 -0.033 0.000 1.038 471 T CA -0.160 61.924 62.100 -0.026 0.000 0.962 471 T CB 0.053 68.910 68.868 -0.018 0.000 1.018 471 T HN -0.118 nan 8.240 nan 0.000 0.521 472 T N 5.044 119.573 114.554 -0.041 0.000 2.727 472 T HA 0.368 4.717 4.350 -0.000 0.000 0.295 472 T C -2.464 172.199 174.700 -0.061 0.000 0.915 472 T CA -0.874 61.198 62.100 -0.045 0.000 1.066 472 T CB 0.750 69.591 68.868 -0.046 0.000 0.891 472 T HN 0.201 nan 8.240 nan 0.000 0.516 473 P HA 0.120 nan 4.420 nan 0.000 0.268 473 P C 0.221 177.472 177.300 -0.081 0.000 1.208 473 P CA -0.398 62.666 63.100 -0.060 0.000 0.777 473 P CB 0.343 32.021 31.700 -0.037 0.000 0.875 474 I N 1.538 122.043 120.570 -0.108 0.000 2.821 474 I HA 0.014 4.184 4.170 -0.000 0.000 0.294 474 I C 1.697 177.761 176.117 -0.088 0.000 1.210 474 I CA 1.566 62.781 61.300 -0.143 0.000 1.430 474 I CB -0.642 37.247 38.000 -0.185 0.000 1.356 474 I HN 0.771 nan 8.210 nan 0.000 0.563 475 G N 4.497 113.256 108.800 -0.068 0.000 2.284 475 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 475 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 475 G C 0.598 175.476 174.900 -0.037 0.000 1.009 475 G CA -0.026 45.044 45.100 -0.049 0.000 0.625 475 G HN 0.655 nan 8.290 nan 0.000 0.501 476 E N 0.606 120.778 120.200 -0.046 0.000 2.498 476 E HA 0.392 4.742 4.350 -0.000 0.000 0.203 476 E C 1.461 178.016 176.600 -0.075 0.000 1.013 476 E CA 0.147 56.514 56.400 -0.055 0.000 0.927 476 E CB 0.987 30.666 29.700 -0.036 0.000 1.012 476 E HN 0.519 nan 8.360 nan 0.000 0.482 477 G N 0.734 109.495 108.800 -0.065 0.000 2.557 477 G HA2 0.053 4.013 3.960 -0.000 0.000 0.292 477 G HA3 0.053 4.013 3.960 -0.000 0.000 0.292 477 G C 0.553 175.421 174.900 -0.054 0.000 1.237 477 G CA -0.365 44.702 45.100 -0.054 0.000 0.978 477 G HN -0.078 nan 8.290 nan 0.000 0.498 478 E N -0.540 119.668 120.200 0.014 0.000 2.442 478 E HA 0.218 4.568 4.350 -0.000 0.000 0.195 478 E C 1.049 177.803 176.600 0.257 0.000 1.030 478 E CA 0.879 57.388 56.400 0.181 0.000 0.869 478 E CB 0.539 30.343 29.700 0.173 0.000 0.857 478 E HN 0.833 nan 8.360 nan 0.000 0.505 479 G N 0.833 109.658 108.800 0.041 0.000 2.307 479 G HA2 0.101 4.061 3.960 -0.000 0.000 0.348 479 G HA3 0.101 4.061 3.960 -0.000 0.000 0.348 479 G C -1.489 173.129 174.900 -0.470 0.000 1.603 479 G CA -0.783 44.195 45.100 -0.204 0.000 0.961 479 G HN 0.117 nan 8.290 nan 0.000 0.686 480 Y N -0.537 119.366 120.300 -0.662 0.000 2.376 480 Y HA 0.858 5.408 4.550 -0.000 0.000 0.340 480 Y C -0.041 175.486 175.900 -0.622 0.000 0.965 480 Y CA -1.722 56.047 58.100 -0.551 0.000 1.078 480 Y CB 2.078 40.341 38.460 -0.328 0.000 1.193 480 Y HN 0.719 nan 8.280 nan 0.000 0.452 481 M N 4.379 123.691 119.600 -0.481 0.000 2.321 481 M HA 0.898 5.378 4.480 -0.000 0.000 0.315 481 M C -1.674 174.453 176.300 -0.289 0.000 1.052 481 M CA -0.518 54.529 55.300 -0.421 0.000 0.936 481 M CB 1.721 34.126 32.600 -0.325 0.000 1.639 481 M HN 1.031 nan 8.290 nan 0.000 0.433 482 A N 2.849 125.455 122.820 -0.358 0.000 2.569 482 A HA 0.846 5.166 4.320 -0.000 0.000 0.290 482 A C -1.753 175.516 177.584 -0.524 0.000 1.136 482 A CA -0.588 51.286 52.037 -0.272 0.000 0.710 482 A CB 1.335 20.277 19.000 -0.097 0.000 1.303 482 A HN 1.006 nan 8.150 nan 0.000 0.413 483 H N -1.269 117.712 119.070 -0.150 0.000 3.889 483 H HA 0.547 5.103 4.556 -0.000 0.000 0.351 483 H C 1.218 176.521 175.328 -0.041 0.000 1.657 483 H CA 0.471 56.423 56.048 -0.159 0.000 1.319 483 H CB 0.207 29.808 29.762 -0.267 0.000 1.314 483 H HN 0.515 nan 8.280 nan 0.000 0.771 484 T N 0.182 114.817 114.554 0.135 0.000 2.698 484 T HA -0.036 4.314 4.350 -0.000 0.000 0.260 484 T C 0.021 174.695 174.700 -0.045 0.000 1.044 484 T CA 1.131 63.262 62.100 0.052 0.000 1.149 484 T CB -0.169 68.757 68.868 0.097 0.000 0.864 484 T HN 0.334 nan 8.240 nan 0.000 0.419 485 E N 2.344 122.582 120.200 0.063 0.000 2.152 485 E HA 0.264 4.614 4.350 -0.000 0.000 0.285 485 E C -0.439 176.359 176.600 0.329 0.000 1.043 485 E CA -0.204 56.254 56.400 0.097 0.000 0.839 485 E CB 0.531 30.424 29.700 0.322 0.000 1.069 485 E HN 0.312 nan 8.360 nan 0.000 0.399 486 N N 1.359 120.239 118.700 0.300 0.000 2.453 486 N HA 0.411 5.151 4.740 -0.000 0.000 0.290 486 N C -0.334 175.427 175.510 0.418 0.000 1.250 486 N CA -0.324 52.969 53.050 0.404 0.000 0.815 486 N CB 2.231 40.947 38.487 0.381 0.000 1.381 486 N HN 0.485 nan 8.380 nan 0.000 0.510 487 T N -3.912 110.827 114.554 0.309 0.000 2.654 487 T HA 0.549 4.899 4.350 -0.000 0.000 0.289 487 T C 0.541 174.975 174.700 -0.443 0.000 1.062 487 T CA -0.497 61.496 62.100 -0.179 0.000 1.041 487 T CB 0.855 69.640 68.868 -0.138 0.000 1.417 487 T HN 0.330 nan 8.240 nan 0.000 0.510 488 A N -0.695 121.355 122.820 -1.284 0.000 2.206 488 A HA 0.277 4.597 4.320 -0.000 0.000 0.211 488 A C 0.474 177.513 177.584 -0.907 0.000 1.158 488 A CA 0.480 51.812 52.037 -1.175 0.000 0.761 488 A CB -0.874 16.975 19.000 -1.919 0.000 0.801 488 A HN 0.733 nan 8.150 nan 0.000 0.473 489 Y N -1.001 119.052 120.300 -0.411 0.000 2.715 489 Y HA 0.423 4.973 4.550 -0.000 0.000 0.255 489 Y C 1.346 177.072 175.900 -0.290 0.000 1.139 489 Y CA -0.763 56.890 58.100 -0.746 0.000 1.151 489 Y CB -0.049 38.100 38.460 -0.519 0.000 1.201 489 Y HN 0.314 nan 8.280 nan 0.000 0.556 490 G N 0.255 109.083 108.800 0.047 0.000 2.272 490 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.280 490 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.280 490 G C 0.042 175.133 174.900 0.319 0.000 1.067 490 G CA -0.049 45.185 45.100 0.224 0.000 0.902 490 G HN 0.618 nan 8.290 nan 0.000 0.500 491 W N 2.139 123.521 121.300 0.137 0.000 1.836 491 W HA 0.397 5.057 4.660 -0.000 0.000 0.449 491 W C 1.067 177.647 176.519 0.102 0.000 0.787 491 W CA 0.241 57.682 57.345 0.160 0.000 1.729 491 W CB -0.134 29.454 29.460 0.214 0.000 1.802 491 W HN 0.397 nan 8.180 nan 0.000 0.257 492 T N 0.250 114.787 114.554 -0.029 0.000 3.069 492 T HA 0.303 4.653 4.350 -0.000 0.000 0.252 492 T C 0.950 175.597 174.700 -0.088 0.000 1.053 492 T CA -0.064 62.016 62.100 -0.035 0.000 0.964 492 T CB 0.263 69.107 68.868 -0.040 0.000 1.005 492 T HN 0.236 nan 8.240 nan 0.000 0.532 493 A N 3.457 126.092 122.820 -0.308 0.000 2.425 493 A HA 0.543 4.863 4.320 -0.000 0.000 0.242 493 A C -2.053 175.261 177.584 -0.450 0.000 1.077 493 A CA -1.379 50.423 52.037 -0.390 0.000 0.781 493 A CB -0.105 18.581 19.000 -0.523 0.000 1.020 493 A HN 0.314 nan 8.150 nan 0.000 0.494 494 P HA 0.201 nan 4.420 nan 0.000 0.272 494 P C 0.502 177.573 177.300 -0.382 0.000 1.230 494 P CA 0.250 62.823 63.100 -0.878 0.000 0.788 494 P CB 0.435 31.546 31.700 -0.982 0.000 0.949 495 G N 0.924 109.575 108.800 -0.248 0.000 2.653 495 G HA2 0.089 4.049 3.960 -0.000 0.000 0.265 495 G HA3 0.089 4.049 3.960 -0.000 0.000 0.265 495 G C 0.857 175.605 174.900 -0.252 0.000 1.237 495 G CA -0.349 44.676 45.100 -0.124 0.000 0.946 495 G HN 0.634 nan 8.290 nan 0.000 0.522 496 Q N -1.720 118.013 119.800 -0.112 0.000 2.472 496 Q HA 0.178 4.518 4.340 -0.000 0.000 0.208 496 Q C 0.695 176.596 176.000 -0.166 0.000 0.958 496 Q CA 0.676 56.467 55.803 -0.021 0.000 0.932 496 Q CB 0.257 29.113 28.738 0.198 0.000 1.007 496 Q HN 0.200 nan 8.270 nan 0.000 0.508 497 S N -0.592 114.757 115.700 -0.585 0.000 2.594 497 S HA 0.295 4.765 4.470 -0.000 0.000 0.296 497 S C -0.396 173.767 174.600 -0.728 0.000 1.124 497 S CA -0.889 56.974 58.200 -0.563 0.000 1.011 497 S CB 0.706 63.666 63.200 -0.400 0.000 1.016 497 S HN 0.421 nan 8.310 nan 0.000 0.485 498 F N 4.432 124.108 119.950 -0.456 0.000 2.161 498 F HA -0.148 4.379 4.527 -0.000 0.000 0.300 498 F C 2.441 178.018 175.800 -0.372 0.000 1.089 498 F CA 2.374 60.178 58.000 -0.327 0.000 1.282 498 F CB -0.216 38.630 39.000 -0.257 0.000 1.010 498 F HN 0.715 nan 8.300 nan 0.000 0.485 499 S N 1.261 116.788 115.700 -0.288 0.000 2.359 499 S HA -0.276 4.194 4.470 -0.000 0.000 0.223 499 S C 1.980 176.495 174.600 -0.141 0.000 1.039 499 S CA 1.597 59.457 58.200 -0.566 0.000 1.042 499 S CB -1.559 61.435 63.200 -0.342 0.000 0.915 499 S HN 0.761 nan 8.310 nan 0.000 0.439 500 W N 1.442 122.768 121.300 0.043 0.000 2.630 500 W HA 0.474 5.134 4.660 -0.000 0.000 0.271 500 W C 2.085 178.663 176.519 0.098 0.000 1.244 500 W CA 0.242 57.676 57.345 0.147 0.000 1.353 500 W CB -1.089 28.493 29.460 0.203 0.000 1.080 500 W HN 0.403 nan 8.180 nan 0.000 0.594 501 G N 0.825 109.390 108.800 -0.393 0.000 2.408 501 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.215 501 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.215 501 G C 0.273 175.044 174.900 -0.215 0.000 1.156 501 G CA 0.039 44.934 45.100 -0.341 0.000 0.793 501 G HN 0.215 nan 8.290 nan 0.000 0.535 502 W N 1.652 122.614 121.300 -0.564 0.000 2.342 502 W HA 0.648 5.307 4.660 -0.000 0.000 0.310 502 W C -0.831 175.562 176.519 -0.210 0.000 1.128 502 W CA -0.595 56.414 57.345 -0.560 0.000 1.322 502 W CB 1.135 29.907 29.460 -1.147 0.000 1.251 502 W HN -0.002 nan 8.180 nan 0.000 0.439 503 S N 8.433 124.057 115.700 -0.127 0.000 2.777 503 S HA 0.151 4.621 4.470 -0.000 0.000 0.140 503 S C -1.469 173.007 174.600 -0.206 0.000 1.233 503 S CA -0.633 57.551 58.200 -0.027 0.000 1.157 503 S CB 0.575 63.867 63.200 0.153 0.000 1.600 503 S HN 0.412 nan 8.310 nan 0.000 0.432 504 P HA 0.084 nan 4.420 nan 0.000 0.230 504 P C 1.128 178.361 177.300 -0.113 0.000 1.158 504 P CA 0.521 63.278 63.100 -0.572 0.000 0.769 504 P CB 0.045 31.400 31.700 -0.575 0.000 0.807 505 A N 0.350 123.173 122.820 0.005 0.000 2.209 505 A HA 0.171 4.490 4.320 -0.000 0.000 0.212 505 A C 2.331 179.926 177.584 0.019 0.000 1.158 505 A CA 1.053 53.059 52.037 -0.051 0.000 0.742 505 A CB -1.151 17.687 19.000 -0.270 0.000 0.790 505 A HN 0.195 nan 8.150 nan 0.000 0.472 506 A N -0.240 122.638 122.820 0.097 0.000 1.958 506 A HA -0.120 4.200 4.320 -0.000 0.000 0.221 506 A C 2.181 179.817 177.584 0.086 0.000 1.178 506 A CA 2.135 54.261 52.037 0.149 0.000 0.642 506 A CB -0.788 18.253 19.000 0.068 0.000 0.816 506 A HN 0.393 nan 8.150 nan 0.000 0.453 507 V N -0.020 119.896 119.914 0.003 0.000 2.255 507 V HA -0.120 4.000 4.120 -0.000 0.000 0.243 507 V C -0.000 176.094 176.094 0.001 0.000 1.038 507 V CA 2.161 64.455 62.300 -0.009 0.000 1.008 507 V CB -1.556 30.211 31.823 -0.093 0.000 0.645 507 V HN 0.320 nan 8.190 nan 0.000 0.449 508 P HA -0.241 nan 4.420 nan 0.000 0.217 508 P C 1.411 178.745 177.300 0.057 0.000 1.158 508 P CA 1.991 65.026 63.100 -0.108 0.000 0.887 508 P CB -0.178 31.338 31.700 -0.307 0.000 0.792 509 W N 0.118 121.359 121.300 -0.099 0.000 2.354 509 W HA -0.126 4.534 4.660 -0.000 0.000 0.315 509 W C 2.054 178.605 176.519 0.053 0.000 1.206 509 W CA 0.723 58.060 57.345 -0.013 0.000 1.290 509 W CB -1.349 28.127 29.460 0.027 0.000 1.152 509 W HN -0.153 nan 8.180 nan 0.000 0.489 510 I N 0.596 121.271 120.570 0.173 0.000 2.567 510 I HA -0.243 3.927 4.170 -0.000 0.000 0.257 510 I C 2.245 178.433 176.117 0.119 0.000 1.184 510 I CA 1.335 62.671 61.300 0.061 0.000 1.451 510 I CB -0.546 37.458 38.000 0.006 0.000 1.089 510 I HN -0.103 nan 8.210 nan 0.000 0.441 511 L N -0.643 120.658 121.223 0.130 0.000 2.376 511 L HA -0.168 4.172 4.340 -0.000 0.000 0.219 511 L C 2.362 179.341 176.870 0.182 0.000 1.133 511 L CA 0.752 55.667 54.840 0.125 0.000 0.816 511 L CB -0.537 41.561 42.059 0.064 0.000 0.933 511 L HN 0.323 nan 8.230 nan 0.000 0.449 512 Q N -0.096 119.841 119.800 0.227 0.000 2.050 512 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 512 Q C 1.927 178.120 176.000 0.321 0.000 0.980 512 Q CA 1.361 57.333 55.803 0.282 0.000 0.840 512 Q CB -0.143 28.785 28.738 0.317 0.000 0.898 512 Q HN 0.593 nan 8.270 nan 0.000 0.424 513 N N 0.146 119.037 118.700 0.317 0.000 2.104 513 N HA -0.153 4.587 4.740 -0.000 0.000 0.190 513 N C 1.944 177.641 175.510 0.312 0.000 1.024 513 N CA 1.415 54.675 53.050 0.351 0.000 0.853 513 N CB -0.107 38.526 38.487 0.244 0.000 1.008 513 N HN 0.067 nan 8.380 nan 0.000 0.424 514 V N 0.944 120.984 119.914 0.209 0.000 2.270 514 V HA -0.235 3.885 4.120 -0.000 0.000 0.245 514 V C 2.118 178.317 176.094 0.175 0.000 1.043 514 V CA 1.442 63.841 62.300 0.165 0.000 1.014 514 V CB -0.817 31.077 31.823 0.118 0.000 0.645 514 V HN 0.258 nan 8.190 nan 0.000 0.447 515 Y N 1.436 121.790 120.300 0.090 0.000 2.207 515 Y HA -0.256 4.294 4.550 -0.000 0.000 0.287 515 Y C 2.473 178.416 175.900 0.071 0.000 1.156 515 Y CA 1.991 60.147 58.100 0.094 0.000 1.182 515 Y CB -0.290 38.218 38.460 0.079 0.000 0.979 515 Y HN 0.403 nan 8.280 nan 0.000 0.521 516 E N -0.197 119.971 120.200 -0.053 0.000 2.204 516 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 516 E C 2.350 178.546 176.600 -0.674 0.000 0.990 516 E CA 0.673 56.922 56.400 -0.253 0.000 0.821 516 E CB -0.282 29.440 29.700 0.036 0.000 0.750 516 E HN 0.604 nan 8.360 nan 0.000 0.477 517 A N 1.066 123.498 122.820 -0.646 0.000 1.917 517 A HA -0.247 4.072 4.320 -0.000 0.000 0.219 517 A C 2.036 179.480 177.584 -0.233 0.000 1.182 517 A CA 1.621 53.375 52.037 -0.471 0.000 0.633 517 A CB -0.719 18.284 19.000 0.005 0.000 0.819 517 A HN 0.439 nan 8.150 nan 0.000 0.448 518 Y N 0.347 120.464 120.300 -0.305 0.000 2.184 518 Y HA -0.109 4.441 4.550 -0.000 0.000 0.290 518 Y C 2.225 177.921 175.900 -0.340 0.000 1.129 518 Y CA 1.944 59.876 58.100 -0.280 0.000 1.144 518 Y CB -0.504 37.787 38.460 -0.281 0.000 0.995 518 Y HN 0.448 nan 8.280 nan 0.000 0.513 519 E N -0.874 118.869 120.200 -0.762 0.000 2.097 519 E HA -0.282 4.068 4.350 -0.000 0.000 0.196 519 E C 1.816 178.078 176.600 -0.563 0.000 1.000 519 E CA 1.925 57.890 56.400 -0.725 0.000 0.804 519 E CB -0.377 28.989 29.700 -0.555 0.000 0.740 519 E HN 0.617 nan 8.360 nan 0.000 0.454 520 Y N -0.564 119.468 120.300 -0.447 0.000 2.519 520 Y HA -0.072 4.478 4.550 -0.000 0.000 0.287 520 Y C 2.562 178.321 175.900 -0.235 0.000 1.128 520 Y CA 1.068 59.006 58.100 -0.270 0.000 1.282 520 Y CB 0.407 38.746 38.460 -0.201 0.000 1.027 520 Y HN 0.087 nan 8.280 nan 0.000 0.551 521 S N -2.388 113.216 115.700 -0.161 0.000 2.527 521 S HA 0.280 4.750 4.470 -0.000 0.000 0.227 521 S C 1.859 176.344 174.600 -0.192 0.000 1.059 521 S CA 0.385 58.516 58.200 -0.115 0.000 0.919 521 S CB 0.081 63.255 63.200 -0.043 0.000 0.805 521 S HN 0.421 nan 8.310 nan 0.000 0.500 522 G N 2.098 110.677 108.800 -0.368 0.000 2.179 522 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.257 522 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.257 522 G C -0.299 174.600 174.900 -0.001 0.000 1.010 522 G CA 0.345 45.268 45.100 -0.295 0.000 0.736 522 G HN 0.714 nan 8.290 nan 0.000 0.513 523 D N 0.412 120.854 120.400 0.069 0.000 2.317 523 D HA 0.342 4.982 4.640 -0.000 0.000 0.252 523 D C -0.060 176.343 176.300 0.173 0.000 1.174 523 D CA -1.949 52.113 54.000 0.104 0.000 0.866 523 D CB 1.321 42.165 40.800 0.073 0.000 1.127 523 D HN 0.174 nan 8.370 nan 0.000 0.467 524 P HA -0.090 nan 4.420 nan 0.000 0.221 524 P C 0.964 178.290 177.300 0.043 0.000 1.150 524 P CA 0.774 63.920 63.100 0.076 0.000 0.800 524 P CB 0.192 31.919 31.700 0.045 0.000 0.787 525 A N 0.108 122.957 122.820 0.048 0.000 1.930 525 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 525 A C 2.384 179.994 177.584 0.043 0.000 1.175 525 A CA 1.081 53.140 52.037 0.037 0.000 0.627 525 A CB -1.510 17.511 19.000 0.034 0.000 0.815 525 A HN 0.115 nan 8.150 nan 0.000 0.443 526 L N -0.983 120.283 121.223 0.071 0.000 2.056 526 L HA -0.161 4.178 4.340 -0.000 0.000 0.207 526 L C 2.538 179.436 176.870 0.046 0.000 1.078 526 L CA 1.110 56.001 54.840 0.085 0.000 0.749 526 L CB -0.533 41.605 42.059 0.130 0.000 0.901 526 L HN 0.476 nan 8.230 nan 0.000 0.433 527 L N 0.167 121.379 121.223 -0.019 0.000 2.013 527 L HA -0.282 4.058 4.340 -0.000 0.000 0.212 527 L C 1.996 178.802 176.870 -0.106 0.000 1.073 527 L CA 2.005 56.647 54.840 -0.329 0.000 0.753 527 L CB -0.763 41.005 42.059 -0.483 0.000 0.890 527 L HN 0.212 nan 8.230 nan 0.000 0.432 528 D N -0.683 119.704 120.400 -0.022 0.000 2.117 528 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 528 D C 2.373 178.725 176.300 0.088 0.000 0.987 528 D CA 1.226 55.259 54.000 0.055 0.000 0.829 528 D CB -0.061 40.761 40.800 0.037 0.000 0.961 528 D HN 0.379 nan 8.370 nan 0.000 0.460 529 R N 0.185 120.714 120.500 0.049 0.000 2.075 529 R HA -0.076 4.264 4.340 -0.000 0.000 0.232 529 R C 2.457 178.784 176.300 0.046 0.000 1.126 529 R CA 1.248 57.370 56.100 0.036 0.000 0.963 529 R CB -0.308 30.008 30.300 0.026 0.000 0.858 529 R HN 0.231 nan 8.270 nan 0.000 0.435 530 V N -1.512 118.446 119.914 0.073 0.000 2.453 530 V HA -0.191 3.929 4.120 -0.000 0.000 0.247 530 V C 1.987 178.146 176.094 0.110 0.000 1.048 530 V CA 1.320 63.687 62.300 0.112 0.000 1.049 530 V CB -0.914 31.026 31.823 0.194 0.000 0.672 530 V HN 0.254 nan 8.190 nan 0.000 0.457 531 Y N 2.348 122.654 120.300 0.011 0.000 2.128 531 Y HA -0.125 4.425 4.550 -0.000 0.000 0.284 531 Y C 2.619 178.550 175.900 0.051 0.000 1.154 531 Y CA 2.191 60.304 58.100 0.021 0.000 1.149 531 Y CB -0.919 37.540 38.460 -0.001 0.000 0.976 531 Y HN 0.308 nan 8.280 nan 0.000 0.505 532 A N 0.399 123.170 122.820 -0.082 0.000 1.908 532 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 532 A C 2.355 179.865 177.584 -0.123 0.000 1.181 532 A CA 2.036 53.987 52.037 -0.142 0.000 0.627 532 A CB -1.231 17.749 19.000 -0.034 0.000 0.818 532 A HN 0.580 nan 8.150 nan 0.000 0.445 533 L N -0.980 120.208 121.223 -0.058 0.000 2.046 533 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 533 L C 2.582 179.486 176.870 0.056 0.000 1.077 533 L CA 1.114 55.971 54.840 0.028 0.000 0.747 533 L CB -0.436 41.649 42.059 0.043 0.000 0.896 533 L HN 0.372 nan 8.230 nan 0.000 0.432 534 L N -0.363 120.814 121.223 -0.077 0.000 2.109 534 L HA -0.204 4.135 4.340 -0.000 0.000 0.207 534 L C 2.680 179.389 176.870 -0.269 0.000 1.086 534 L CA 1.108 55.838 54.840 -0.184 0.000 0.760 534 L CB -0.454 41.460 42.059 -0.242 0.000 0.910 534 L HN 0.240 nan 8.230 nan 0.000 0.437 535 K N 0.663 120.893 120.400 -0.284 0.000 2.032 535 K HA -0.290 4.030 4.320 -0.000 0.000 0.209 535 K C 2.064 178.737 176.600 0.122 0.000 1.048 535 K CA 2.175 58.412 56.287 -0.084 0.000 0.927 535 K CB -0.051 32.252 32.500 -0.328 0.000 0.712 535 K HN 0.305 nan 8.250 nan 0.000 0.441 536 E N -0.082 120.179 120.200 0.101 0.000 2.158 536 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 536 E C 1.829 178.579 176.600 0.249 0.000 0.982 536 E CA 0.956 57.484 56.400 0.214 0.000 0.823 536 E CB 0.094 29.921 29.700 0.210 0.000 0.766 536 E HN 0.306 nan 8.360 nan 0.000 0.468 537 E N 0.190 120.461 120.200 0.118 0.000 2.107 537 E HA -0.084 4.266 4.350 -0.000 0.000 0.191 537 E C 1.892 178.580 176.600 0.146 0.000 0.982 537 E CA 1.482 57.873 56.400 -0.015 0.000 0.809 537 E CB -0.079 29.482 29.700 -0.231 0.000 0.756 537 E HN 0.138 nan 8.360 nan 0.000 0.459 538 S N -0.061 115.629 115.700 -0.016 0.000 2.355 538 S HA -0.191 4.279 4.470 -0.000 0.000 0.222 538 S C 1.764 176.502 174.600 0.231 0.000 1.031 538 S CA 1.087 59.223 58.200 -0.106 0.000 0.993 538 S CB -0.626 62.112 63.200 -0.771 0.000 0.859 538 S HN 0.461 nan 8.310 nan 0.000 0.453 539 H N 0.458 119.719 119.070 0.320 0.000 2.289 539 H HA -0.195 4.361 4.556 -0.000 0.000 0.294 539 H C 2.091 177.675 175.328 0.425 0.000 1.095 539 H CA 2.116 58.404 56.048 0.399 0.000 1.256 539 H CB -0.510 29.464 29.762 0.354 0.000 1.359 539 H HN 0.410 nan 8.280 nan 0.000 0.487 540 F N 0.855 121.020 119.950 0.358 0.000 2.069 540 F HA -0.257 4.270 4.527 -0.000 0.000 0.298 540 F C 2.221 178.150 175.800 0.214 0.000 1.113 540 F CA 1.670 59.860 58.000 0.316 0.000 1.214 540 F CB -1.224 37.835 39.000 0.098 0.000 0.978 540 F HN 0.101 nan 8.300 nan 0.000 0.474 541 Y N -0.223 120.038 120.300 -0.064 0.000 2.145 541 Y HA -0.213 4.337 4.550 -0.000 0.000 0.286 541 Y C 2.612 178.501 175.900 -0.018 0.000 1.145 541 Y CA 1.996 59.989 58.100 -0.178 0.000 1.148 541 Y CB -1.057 37.328 38.460 -0.125 0.000 0.981 541 Y HN -0.102 nan 8.280 nan 0.000 0.507 542 V N 0.371 120.428 119.914 0.239 0.000 2.255 542 V HA -0.363 3.757 4.120 -0.000 0.000 0.247 542 V C 1.561 177.887 176.094 0.386 0.000 1.051 542 V CA 2.555 65.073 62.300 0.364 0.000 1.018 542 V CB -0.697 31.343 31.823 0.362 0.000 0.641 542 V HN 0.459 nan 8.190 nan 0.000 0.445 543 N N -1.948 116.808 118.700 0.092 0.000 2.376 543 N HA -0.020 4.720 4.740 -0.000 0.000 0.177 543 N C 1.457 176.692 175.510 -0.459 0.000 1.024 543 N CA 0.955 53.950 53.050 -0.091 0.000 0.893 543 N CB -0.008 38.180 38.487 -0.500 0.000 0.980 543 N HN 0.600 nan 8.380 nan 0.000 0.439 544 Y N -1.337 118.907 120.300 -0.094 0.000 2.467 544 Y HA 0.314 4.863 4.550 -0.000 0.000 0.259 544 Y C 1.624 177.341 175.900 -0.304 0.000 1.084 544 Y CA -0.002 57.969 58.100 -0.215 0.000 1.275 544 Y CB 0.405 38.721 38.460 -0.240 0.000 1.208 544 Y HN -0.024 nan 8.280 nan 0.000 0.511 545 M N -0.386 119.040 119.600 -0.290 0.000 2.800 545 M HA 0.233 4.713 4.480 -0.000 0.000 0.257 545 M C 0.416 176.644 176.300 -0.120 0.000 1.309 545 M CA 0.582 55.670 55.300 -0.352 0.000 1.202 545 M CB -0.415 31.648 32.600 -0.896 0.000 1.273 545 M HN -0.025 nan 8.290 nan 0.000 0.528 546 L N 1.726 122.936 121.223 -0.021 0.000 2.426 546 L HA 0.123 4.463 4.340 -0.000 0.000 0.271 546 L C 0.208 177.110 176.870 0.054 0.000 1.169 546 L CA 0.036 54.855 54.840 -0.035 0.000 0.836 546 L CB 0.073 42.004 42.059 -0.214 0.000 1.112 546 L HN 0.423 nan 8.230 nan 0.000 0.465 547 H N 0.204 119.206 119.070 -0.114 0.000 3.016 547 H HA 0.391 4.947 4.556 -0.000 0.000 0.362 547 H C -1.024 174.248 175.328 -0.094 0.000 1.233 547 H CA -1.333 54.693 56.048 -0.037 0.000 1.124 547 H CB 1.554 31.337 29.762 0.034 0.000 1.850 547 H HN 0.423 nan 8.280 nan 0.000 0.549 548 K N 1.883 122.199 120.400 -0.139 0.000 2.472 548 K HA 0.283 4.602 4.320 -0.000 0.000 0.280 548 K C -0.088 176.206 176.600 -0.511 0.000 1.028 548 K CA 0.129 56.274 56.287 -0.238 0.000 1.045 548 K CB 0.343 32.788 32.500 -0.093 0.000 0.902 548 K HN 0.632 nan 8.250 nan 0.000 0.478 549 A N 3.750 126.373 122.820 -0.328 0.000 2.386 549 A HA 0.370 4.690 4.320 -0.000 0.000 0.248 549 A C 0.571 178.039 177.584 -0.194 0.000 1.082 549 A CA 0.088 51.962 52.037 -0.272 0.000 0.789 549 A CB 0.477 19.414 19.000 -0.105 0.000 1.025 549 A HN 0.921 nan 8.150 nan 0.000 0.490 550 G N -0.442 108.294 108.800 -0.108 0.000 2.621 550 G HA2 0.366 4.326 3.960 -0.000 0.000 0.271 550 G HA3 0.366 4.326 3.960 -0.000 0.000 0.271 550 G C 1.254 176.156 174.900 0.003 0.000 1.236 550 G CA 0.392 45.472 45.100 -0.034 0.000 0.958 550 G HN 1.535 nan 8.290 nan 0.000 0.512 551 S N -0.963 114.747 115.700 0.018 0.000 2.420 551 S HA -0.234 4.236 4.470 -0.000 0.000 0.237 551 S C 2.325 176.965 174.600 0.067 0.000 1.023 551 S CA 2.012 60.230 58.200 0.031 0.000 0.991 551 S CB -0.608 62.608 63.200 0.028 0.000 0.792 551 S HN 1.069 nan 8.310 nan 0.000 0.488 552 S N 0.419 116.181 115.700 0.103 0.000 2.481 552 S HA 0.129 4.599 4.470 -0.000 0.000 0.231 552 S C 1.514 176.238 174.600 0.207 0.000 0.996 552 S CA 0.763 59.072 58.200 0.182 0.000 0.942 552 S CB -0.420 62.929 63.200 0.248 0.000 0.768 552 S HN 0.452 nan 8.310 nan 0.000 0.520 553 S N 0.344 116.124 115.700 0.133 0.000 2.629 553 S HA 0.603 5.073 4.470 -0.000 0.000 0.236 553 S C 0.849 175.437 174.600 -0.021 0.000 1.010 553 S CA -0.006 58.258 58.200 0.108 0.000 0.981 553 S CB 0.424 63.688 63.200 0.107 0.000 0.919 553 S HN 1.078 nan 8.310 nan 0.000 0.514 554 G N 2.229 111.028 108.800 -0.003 0.000 2.527 554 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.227 554 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.227 554 G C -1.018 173.841 174.900 -0.069 0.000 1.291 554 G CA -0.214 44.866 45.100 -0.033 0.000 0.904 554 G HN 0.343 nan 8.290 nan 0.000 0.577 555 D N 1.568 121.922 120.400 -0.077 0.000 2.467 555 D HA 0.599 5.239 4.640 -0.000 0.000 0.220 555 D C 0.587 176.820 176.300 -0.111 0.000 1.103 555 D CA -0.071 53.884 54.000 -0.075 0.000 0.886 555 D CB -0.252 40.522 40.800 -0.044 0.000 1.025 555 D HN 0.831 nan 8.370 nan 0.000 0.514 556 R N 1.743 122.162 120.500 -0.136 0.000 2.825 556 R HA 0.296 4.636 4.340 -0.000 0.000 0.274 556 R C -1.272 174.915 176.300 -0.188 0.000 1.026 556 R CA -0.926 55.069 56.100 -0.174 0.000 0.867 556 R CB 0.257 30.402 30.300 -0.258 0.000 1.268 556 R HN 0.089 nan 8.270 nan 0.000 0.491 557 L N 1.928 123.017 121.223 -0.224 0.000 2.380 557 L HA 0.420 4.760 4.340 -0.000 0.000 0.273 557 L C 0.438 177.213 176.870 -0.159 0.000 1.138 557 L CA 0.086 54.768 54.840 -0.265 0.000 0.832 557 L CB 1.226 43.005 42.059 -0.468 0.000 1.124 557 L HN 0.965 nan 8.230 nan 0.000 0.454 558 T N -2.743 111.794 114.554 -0.027 0.000 2.858 558 T HA 0.325 4.675 4.350 -0.000 0.000 0.285 558 T C 0.618 175.390 174.700 0.119 0.000 1.052 558 T CA -0.122 62.018 62.100 0.066 0.000 1.009 558 T CB 1.687 70.640 68.868 0.141 0.000 1.241 558 T HN 0.588 nan 8.240 nan 0.000 0.542 559 T N -2.156 112.475 114.554 0.128 0.000 3.144 559 T HA 0.537 4.887 4.350 -0.000 0.000 0.249 559 T C 1.382 176.117 174.700 0.057 0.000 1.089 559 T CA 0.336 62.512 62.100 0.126 0.000 0.989 559 T CB -0.966 68.035 68.868 0.222 0.000 0.992 559 T HN 1.786 nan 8.240 nan 0.000 0.540 560 G N 1.268 110.071 108.800 0.004 0.000 2.553 560 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.242 560 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.242 560 G C -0.081 174.865 174.900 0.077 0.000 1.277 560 G CA -0.449 44.556 45.100 -0.158 0.000 0.910 560 G HN 0.983 nan 8.290 nan 0.000 0.576 561 V N 1.303 121.249 119.914 0.055 0.000 2.539 561 V HA 0.411 4.531 4.120 -0.000 0.000 0.300 561 V C 0.907 177.209 176.094 0.345 0.000 1.019 561 V CA 1.828 64.202 62.300 0.123 0.000 1.160 561 V CB 0.038 31.833 31.823 -0.046 0.000 0.901 561 V HN 2.455 nan 8.190 nan 0.000 0.481 562 A N 6.119 129.187 122.820 0.414 0.000 2.587 562 A HA 0.769 5.089 4.320 -0.000 0.000 0.293 562 A C -1.705 176.275 177.584 0.660 0.000 1.087 562 A CA -0.602 51.770 52.037 0.559 0.000 0.692 562 A CB 1.685 20.930 19.000 0.409 0.000 1.291 562 A HN 1.138 nan 8.150 nan 0.000 0.407 563 Y N 0.874 121.470 120.300 0.493 0.000 2.442 563 Y HA 0.644 5.194 4.550 -0.000 0.000 0.344 563 Y C 0.014 176.067 175.900 0.255 0.000 0.976 563 Y CA -0.779 57.570 58.100 0.415 0.000 1.040 563 Y CB 2.286 40.994 38.460 0.413 0.000 1.228 563 Y HN 0.677 nan 8.280 nan 0.000 0.451 564 S N 8.193 123.687 115.700 -0.342 0.000 2.411 564 S HA 0.466 4.936 4.470 -0.000 0.000 0.294 564 S C -2.763 171.385 174.600 -0.753 0.000 1.115 564 S CA -1.662 56.264 58.200 -0.457 0.000 1.071 564 S CB 0.071 63.041 63.200 -0.384 0.000 0.967 564 S HN 0.429 nan 8.310 nan 0.000 0.488 565 P HA 0.104 nan 4.420 nan 0.000 0.264 565 P C -0.694 176.362 177.300 -0.406 0.000 1.193 565 P CA 0.256 63.014 63.100 -0.569 0.000 0.763 565 P CB 0.237 31.562 31.700 -0.625 0.000 0.810 566 E N 2.808 122.997 120.200 -0.018 0.000 3.568 566 E HA 0.135 4.485 4.350 -0.000 0.000 0.213 566 E C -0.106 176.555 176.600 0.103 0.000 1.197 566 E CA -0.286 56.156 56.400 0.070 0.000 1.126 566 E CB 0.552 30.424 29.700 0.287 0.000 1.285 566 E HN 0.502 nan 8.360 nan 0.000 0.418 567 Q N -0.794 118.862 119.800 -0.240 0.000 2.648 567 Q HA 0.725 5.065 4.340 -0.000 0.000 0.300 567 Q C 0.139 176.188 176.000 0.081 0.000 0.954 567 Q CA -0.744 54.974 55.803 -0.141 0.000 0.757 567 Q CB 1.561 29.943 28.738 -0.594 0.000 1.482 567 Q HN 0.208 nan 8.270 nan 0.000 0.437 568 G N 0.034 108.921 108.800 0.146 0.000 2.681 568 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.220 568 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.220 568 G C -2.799 172.174 174.900 0.122 0.000 1.353 568 G CA -0.473 44.643 45.100 0.027 0.000 0.872 568 G HN 0.654 nan 8.290 nan 0.000 0.557 569 P HA 0.487 nan 4.420 nan 0.000 0.274 569 P C 0.053 177.551 177.300 0.331 0.000 1.231 569 P CA -0.372 62.782 63.100 0.090 0.000 0.790 569 P CB 0.482 32.177 31.700 -0.009 0.000 0.951 570 L N 1.692 123.049 121.223 0.223 0.000 2.276 570 L HA 0.512 4.852 4.340 -0.000 0.000 0.286 570 L C 1.153 178.060 176.870 0.062 0.000 1.061 570 L CA -0.310 54.643 54.840 0.189 0.000 0.807 570 L CB 0.225 42.242 42.059 -0.071 0.000 1.177 570 L HN 0.729 nan 8.230 nan 0.000 0.429 571 G N 1.552 110.425 108.800 0.122 0.000 2.401 571 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.283 571 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.283 571 G C 0.155 175.125 174.900 0.116 0.000 1.117 571 G CA 0.186 45.288 45.100 0.003 0.000 1.051 571 G HN 0.787 nan 8.290 nan 0.000 0.510 572 T N -2.378 112.312 114.554 0.227 0.000 2.824 572 T HA 0.533 4.883 4.350 -0.000 0.000 0.277 572 T C 0.198 175.025 174.700 0.212 0.000 0.975 572 T CA -0.129 62.110 62.100 0.231 0.000 0.966 572 T CB 1.945 70.938 68.868 0.208 0.000 1.054 572 T HN 0.096 nan 8.240 nan 0.000 0.533 573 D N 0.814 121.342 120.400 0.213 0.000 2.508 573 D HA 0.401 5.041 4.640 -0.000 0.000 0.224 573 D C 1.117 177.570 176.300 0.254 0.000 1.171 573 D CA 1.178 55.319 54.000 0.234 0.000 1.006 573 D CB -0.934 40.005 40.800 0.231 0.000 1.073 573 D HN 1.077 nan 8.370 nan 0.000 0.513 574 G N 2.976 111.925 108.800 0.249 0.000 2.804 574 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.230 574 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.230 574 G C -0.342 174.705 174.900 0.245 0.000 1.386 574 G CA -0.134 45.126 45.100 0.266 0.000 0.875 574 G HN 0.833 nan 8.290 nan 0.000 0.557 575 N N -3.899 114.913 118.700 0.187 0.000 3.179 575 N HA 0.567 5.307 4.740 -0.000 0.000 0.250 575 N C 0.633 176.041 175.510 -0.171 0.000 1.507 575 N CA 0.233 53.204 53.050 -0.132 0.000 0.883 575 N CB 0.225 38.612 38.487 -0.167 0.000 1.435 575 N HN 0.524 nan 8.380 nan 0.000 0.532 576 T N -0.932 113.342 114.554 -0.468 0.000 2.821 576 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 576 T C 1.174 175.808 174.700 -0.109 0.000 1.046 576 T CA 1.568 63.501 62.100 -0.278 0.000 1.139 576 T CB -0.637 68.019 68.868 -0.353 0.000 0.871 576 T HN 0.486 nan 8.240 nan 0.000 0.454 577 Y N 2.454 122.616 120.300 -0.230 0.000 2.002 577 Y HA -0.275 4.274 4.550 -0.000 0.000 0.268 577 Y C 2.309 178.125 175.900 -0.140 0.000 1.177 577 Y CA 1.792 59.779 58.100 -0.188 0.000 1.111 577 Y CB -0.492 37.871 38.460 -0.161 0.000 0.952 577 Y HN 0.256 nan 8.280 nan 0.000 0.491 578 E N -0.692 119.407 120.200 -0.169 0.000 2.110 578 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 578 E C 2.354 178.853 176.600 -0.168 0.000 0.988 578 E CA 1.400 57.655 56.400 -0.242 0.000 0.804 578 E CB -0.233 29.484 29.700 0.028 0.000 0.745 578 E HN 0.440 nan 8.360 nan 0.000 0.458 579 S N 0.609 116.282 115.700 -0.046 0.000 2.387 579 S HA -0.076 4.394 4.470 -0.000 0.000 0.226 579 S C 2.188 176.763 174.600 -0.041 0.000 1.026 579 S CA 0.747 58.944 58.200 -0.005 0.000 0.972 579 S CB -0.004 63.263 63.200 0.112 0.000 0.814 579 S HN 0.133 nan 8.310 nan 0.000 0.477 580 S N 1.800 117.435 115.700 -0.108 0.000 2.382 580 S HA 0.055 4.525 4.470 -0.000 0.000 0.228 580 S C 1.777 176.303 174.600 -0.123 0.000 1.027 580 S CA 0.855 58.971 58.200 -0.140 0.000 0.991 580 S CB -0.359 62.712 63.200 -0.216 0.000 0.823 580 S HN 0.360 nan 8.310 nan 0.000 0.469 581 L N 0.832 121.895 121.223 -0.267 0.000 2.056 581 L HA -0.041 4.299 4.340 -0.000 0.000 0.207 581 L C 2.272 178.991 176.870 -0.251 0.000 1.078 581 L CA 0.834 55.488 54.840 -0.310 0.000 0.749 581 L CB -0.512 41.255 42.059 -0.488 0.000 0.901 581 L HN 0.206 nan 8.230 nan 0.000 0.433 582 V N -1.438 118.314 119.914 -0.270 0.000 2.453 582 V HA -0.262 3.857 4.120 -0.000 0.000 0.247 582 V C 2.022 178.018 176.094 -0.164 0.000 1.048 582 V CA 1.471 63.580 62.300 -0.317 0.000 1.049 582 V CB -0.515 31.099 31.823 -0.347 0.000 0.672 582 V HN 0.597 nan 8.190 nan 0.000 0.457 583 W N 0.947 122.111 121.300 -0.226 0.000 2.335 583 W HA -0.306 4.354 4.660 -0.000 0.000 0.311 583 W C 2.621 179.033 176.519 -0.178 0.000 1.213 583 W CA 2.291 59.533 57.345 -0.172 0.000 1.274 583 W CB -0.125 29.253 29.460 -0.137 0.000 1.148 583 W HN 0.180 nan 8.180 nan 0.000 0.498 584 Q N 0.259 120.168 119.800 0.181 0.000 2.084 584 Q HA -0.254 4.086 4.340 -0.000 0.000 0.202 584 Q C 2.393 178.249 176.000 -0.240 0.000 0.978 584 Q CA 2.537 58.352 55.803 0.021 0.000 0.844 584 Q CB -0.834 27.951 28.738 0.077 0.000 0.898 584 Q HN 0.496 nan 8.270 nan 0.000 0.426 585 M N -0.813 118.637 119.600 -0.250 0.000 2.080 585 M HA -0.199 4.281 4.480 -0.000 0.000 0.260 585 M C 1.640 177.674 176.300 -0.444 0.000 1.068 585 M CA 1.580 56.683 55.300 -0.327 0.000 1.109 585 M CB -0.096 32.304 32.600 -0.333 0.000 1.342 585 M HN 0.343 nan 8.290 nan 0.000 0.405 586 L N -0.007 120.940 121.223 -0.459 0.000 2.056 586 L HA -0.246 4.094 4.340 -0.000 0.000 0.207 586 L C 2.532 179.114 176.870 -0.480 0.000 1.078 586 L CA 1.369 55.907 54.840 -0.504 0.000 0.749 586 L CB -1.213 40.612 42.059 -0.389 0.000 0.901 586 L HN 0.547 nan 8.230 nan 0.000 0.433 587 N N 0.531 118.869 118.700 -0.603 0.000 2.036 587 N HA -0.252 4.488 4.740 -0.000 0.000 0.195 587 N C 1.322 176.579 175.510 -0.422 0.000 1.037 587 N CA 2.346 55.036 53.050 -0.600 0.000 0.855 587 N CB -0.045 37.933 38.487 -0.848 0.000 1.033 587 N HN 0.295 nan 8.380 nan 0.000 0.423 588 D N 0.561 120.664 120.400 -0.496 0.000 2.144 588 D HA -0.020 4.620 4.640 -0.000 0.000 0.200 588 D C 1.935 177.888 176.300 -0.577 0.000 0.978 588 D CA 1.082 54.641 54.000 -0.734 0.000 0.833 588 D CB -0.605 39.545 40.800 -1.083 0.000 0.961 588 D HN 0.426 nan 8.370 nan 0.000 0.470 589 A N 0.745 123.280 122.820 -0.475 0.000 1.908 589 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 589 A C 2.341 179.929 177.584 0.007 0.000 1.181 589 A CA 1.097 52.907 52.037 -0.379 0.000 0.627 589 A CB -0.784 17.653 19.000 -0.939 0.000 0.818 589 A HN 0.200 nan 8.150 nan 0.000 0.445 590 I N -0.634 119.939 120.570 0.006 0.000 2.202 590 I HA -0.235 3.935 4.170 -0.000 0.000 0.242 590 I C 2.523 178.699 176.117 0.099 0.000 1.091 590 I CA 1.503 62.911 61.300 0.180 0.000 1.368 590 I CB -0.368 37.681 38.000 0.082 0.000 1.058 590 I HN 0.418 nan 8.210 nan 0.000 0.410 591 E N 0.804 121.009 120.200 0.008 0.000 2.058 591 E HA -0.271 4.079 4.350 -0.000 0.000 0.194 591 E C 2.313 178.995 176.600 0.137 0.000 0.997 591 E CA 1.465 57.911 56.400 0.077 0.000 0.801 591 E CB -0.250 29.517 29.700 0.113 0.000 0.746 591 E HN 0.541 nan 8.360 nan 0.000 0.450 592 A N 1.378 124.278 122.820 0.134 0.000 1.898 592 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 592 A C 2.381 179.994 177.584 0.049 0.000 1.181 592 A CA 1.615 53.740 52.037 0.146 0.000 0.620 592 A CB -0.590 18.561 19.000 0.250 0.000 0.819 592 A HN 0.296 nan 8.150 nan 0.000 0.442 593 A N -0.008 122.914 122.820 0.170 0.000 1.877 593 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 593 A C 2.113 179.659 177.584 -0.062 0.000 1.186 593 A CA 1.844 53.894 52.037 0.021 0.000 0.620 593 A CB -0.477 18.701 19.000 0.296 0.000 0.822 593 A HN 0.534 nan 8.150 nan 0.000 0.443 594 K N -0.331 120.078 120.400 0.016 0.000 2.063 594 K HA -0.109 4.211 4.320 -0.000 0.000 0.208 594 K C 2.206 178.797 176.600 -0.016 0.000 1.048 594 K CA 1.203 57.491 56.287 0.001 0.000 0.928 594 K CB -0.365 32.154 32.500 0.031 0.000 0.713 594 K HN 0.444 nan 8.250 nan 0.000 0.442 595 A N 1.461 124.280 122.820 -0.001 0.000 2.070 595 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 595 A C 1.614 179.158 177.584 -0.066 0.000 1.159 595 A CA 1.424 53.462 52.037 0.002 0.000 0.656 595 A CB -0.152 18.877 19.000 0.049 0.000 0.800 595 A HN 0.206 nan 8.150 nan 0.000 0.453 596 K N -1.884 118.429 120.400 -0.144 0.000 2.358 596 K HA 0.278 4.598 4.320 -0.000 0.000 0.197 596 K C 0.890 177.401 176.600 -0.148 0.000 1.025 596 K CA 0.439 56.612 56.287 -0.189 0.000 1.104 596 K CB 0.256 32.537 32.500 -0.364 0.000 0.855 596 K HN 0.591 nan 8.250 nan 0.000 0.531 597 G N 2.440 111.176 108.800 -0.107 0.000 2.132 597 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.234 597 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.234 597 G C -0.174 174.672 174.900 -0.090 0.000 0.989 597 G CA 0.174 45.226 45.100 -0.080 0.000 0.676 597 G HN 0.432 nan 8.290 nan 0.000 0.522 598 D N -0.653 119.677 120.400 -0.118 0.000 2.735 598 D HA -0.153 4.487 4.640 -0.000 0.000 0.235 598 D C 0.190 176.428 176.300 -0.104 0.000 1.175 598 D CA 1.180 55.114 54.000 -0.110 0.000 0.683 598 D CB -0.126 40.629 40.800 -0.076 0.000 1.008 598 D HN 0.429 nan 8.370 nan 0.000 0.416 599 P HA -0.103 nan 4.420 nan 0.000 0.222 599 P C 0.737 178.009 177.300 -0.047 0.000 1.147 599 P CA 0.833 63.886 63.100 -0.079 0.000 0.790 599 P CB 0.314 31.963 31.700 -0.085 0.000 0.780 600 D N -0.890 119.490 120.400 -0.033 0.000 2.350 600 D HA 0.109 4.749 4.640 -0.000 0.000 0.213 600 D C 1.264 177.507 176.300 -0.096 0.000 1.031 600 D CA 0.673 54.657 54.000 -0.026 0.000 0.861 600 D CB -0.193 40.638 40.800 0.052 0.000 0.926 600 D HN 0.151 nan 8.370 nan 0.000 0.520 601 G N 1.708 110.437 108.800 -0.119 0.000 2.295 601 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.287 601 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.287 601 G C 0.774 175.526 174.900 -0.247 0.000 1.055 601 G CA 0.204 45.215 45.100 -0.148 0.000 0.922 601 G HN 0.384 nan 8.290 nan 0.000 0.503 602 L N -0.970 120.022 121.223 -0.385 0.000 2.609 602 L HA 0.119 4.459 4.340 -0.000 0.000 0.230 602 L C 2.632 179.046 176.870 -0.760 0.000 1.087 602 L CA 0.173 54.541 54.840 -0.786 0.000 0.874 602 L CB 0.132 41.365 42.059 -1.376 0.000 1.114 602 L HN 0.242 nan 8.230 nan 0.000 0.488 603 V N 0.373 120.081 119.914 -0.343 0.000 2.343 603 V HA -0.092 4.028 4.120 -0.000 0.000 0.247 603 V C 1.784 177.835 176.094 -0.071 0.000 1.051 603 V CA 1.567 63.816 62.300 -0.085 0.000 1.036 603 V CB -1.215 30.606 31.823 -0.004 0.000 0.654 603 V HN 0.650 nan 8.190 nan 0.000 0.451 604 G N 1.151 109.884 108.800 -0.113 0.000 2.574 604 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.282 604 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.282 604 G C -0.190 174.690 174.900 -0.033 0.000 1.257 604 G CA 0.636 45.688 45.100 -0.081 0.000 0.956 604 G HN 1.131 nan 8.290 nan 0.000 0.560 605 N N -3.791 114.899 118.700 -0.017 0.000 3.378 605 N HA 0.552 5.292 4.740 -0.000 0.000 0.294 605 N C 0.083 175.602 175.510 0.016 0.000 1.544 605 N CA 0.438 53.488 53.050 0.000 0.000 0.872 605 N CB 0.515 38.996 38.487 -0.011 0.000 1.670 605 N HN 1.192 nan 8.380 nan 0.000 0.551 606 T N -3.580 110.986 114.554 0.020 0.000 3.243 606 T HA 0.303 4.653 4.350 -0.000 0.000 0.264 606 T C -0.365 174.347 174.700 0.020 0.000 1.000 606 T CA -0.276 61.843 62.100 0.032 0.000 0.901 606 T CB -1.075 67.816 68.868 0.039 0.000 1.083 606 T HN 0.469 nan 8.240 nan 0.000 0.559 607 T N 3.494 118.051 114.554 0.004 0.000 2.794 607 T HA 0.206 4.556 4.350 -0.000 0.000 0.296 607 T C 0.005 174.700 174.700 -0.008 0.000 0.949 607 T CA -0.210 61.887 62.100 -0.004 0.000 1.101 607 T CB 0.306 69.165 68.868 -0.015 0.000 0.905 607 T HN 0.410 nan 8.240 nan 0.000 0.516 608 D N 0.641 121.039 120.400 -0.004 0.000 2.689 608 D HA -0.163 4.477 4.640 -0.000 0.000 0.237 608 D C -0.043 176.259 176.300 0.003 0.000 1.148 608 D CA 0.348 54.344 54.000 -0.006 0.000 0.656 608 D CB -1.204 39.582 40.800 -0.023 0.000 1.050 608 D HN 0.523 nan 8.370 nan 0.000 0.426 609 c N 1.305 119.922 118.600 0.029 0.000 2.273 609 c HA 0.651 5.221 4.570 -0.000 0.000 0.328 609 c C 0.321 174.467 174.090 0.094 0.000 1.275 609 c CA 0.045 56.416 56.329 0.070 0.000 1.704 609 c CB 0.707 43.264 42.510 0.078 0.000 2.326 609 c HN 0.444 nan 8.230 nan 0.000 0.517 610 S N 3.467 119.258 115.700 0.151 0.000 2.547 610 S HA 0.614 5.084 4.470 -0.000 0.000 0.270 610 S C 0.426 175.181 174.600 0.257 0.000 1.150 610 S CA 0.183 58.468 58.200 0.142 0.000 0.850 610 S CB 1.424 64.675 63.200 0.086 0.000 1.118 610 S HN 1.395 nan 8.310 nan 0.000 0.461 611 A N 2.154 125.072 122.820 0.163 0.000 2.067 611 A HA 0.017 4.337 4.320 -0.000 0.000 0.219 611 A C 1.366 179.113 177.584 0.272 0.000 1.158 611 A CA 1.782 53.920 52.037 0.169 0.000 0.661 611 A CB -0.732 18.261 19.000 -0.011 0.000 0.801 611 A HN 0.836 nan 8.150 nan 0.000 0.452 612 D N 0.602 121.110 120.400 0.180 0.000 2.263 612 D HA -0.120 4.520 4.640 -0.000 0.000 0.208 612 D C 1.111 177.501 176.300 0.150 0.000 0.971 612 D CA 0.880 54.965 54.000 0.142 0.000 0.867 612 D CB -0.365 40.480 40.800 0.075 0.000 0.929 612 D HN 0.369 nan 8.370 nan 0.000 0.492 613 N N -0.345 118.452 118.700 0.162 0.000 2.519 613 N HA -0.130 4.610 4.740 -0.000 0.000 0.186 613 N C 1.020 176.411 175.510 -0.198 0.000 1.062 613 N CA 0.402 53.407 53.050 -0.075 0.000 0.910 613 N CB -0.168 38.158 38.487 -0.268 0.000 0.958 613 N HN 0.445 nan 8.380 nan 0.000 0.445 614 W N 1.037 122.354 121.300 0.027 0.000 3.316 614 W HA 0.394 5.054 4.660 -0.000 0.000 0.327 614 W C 0.238 176.944 176.519 0.311 0.000 1.232 614 W CA -0.833 56.632 57.345 0.201 0.000 1.805 614 W CB -0.016 29.559 29.460 0.192 0.000 1.090 614 W HN -0.091 nan 8.180 nan 0.000 0.654 615 A N 1.988 125.001 122.820 0.322 0.000 2.540 615 A HA 0.199 4.519 4.320 -0.000 0.000 0.239 615 A C 0.117 177.828 177.584 0.212 0.000 1.061 615 A CA 0.728 52.894 52.037 0.215 0.000 0.758 615 A CB 0.238 19.313 19.000 0.126 0.000 0.991 615 A HN 0.226 nan 8.150 nan 0.000 0.502 616 K N 1.175 121.639 120.400 0.106 0.000 2.435 616 K HA 0.315 4.635 4.320 -0.000 0.000 0.251 616 K C -0.347 176.255 176.600 0.003 0.000 0.954 616 K CA -0.892 55.397 56.287 0.003 0.000 0.820 616 K CB 1.591 34.026 32.500 -0.108 0.000 1.292 616 K HN 0.892 nan 8.250 nan 0.000 0.436 617 N N -0.059 118.631 118.700 -0.016 0.000 2.322 617 N HA 0.002 4.742 4.740 -0.000 0.000 0.270 617 N C 0.169 175.671 175.510 -0.015 0.000 1.286 617 N CA -0.055 52.990 53.050 -0.008 0.000 0.948 617 N CB 0.262 38.745 38.487 -0.006 0.000 1.164 617 N HN 0.399 nan 8.380 nan 0.000 0.551 618 D N -1.428 118.968 120.400 -0.007 0.000 2.221 618 D HA -0.124 4.516 4.640 -0.000 0.000 0.204 618 D C 0.890 177.183 176.300 -0.011 0.000 0.982 618 D CA 1.510 55.507 54.000 -0.006 0.000 0.857 618 D CB -0.410 40.389 40.800 -0.002 0.000 0.934 618 D HN 0.665 nan 8.370 nan 0.000 0.475 619 S N -1.263 114.428 115.700 -0.015 0.000 2.634 619 S HA 0.351 4.821 4.470 -0.000 0.000 0.221 619 S C 1.513 176.094 174.600 -0.031 0.000 0.952 619 S CA 0.312 58.502 58.200 -0.016 0.000 0.930 619 S CB 0.394 63.589 63.200 -0.009 0.000 0.780 619 S HN 0.257 nan 8.310 nan 0.000 0.498 620 G N 1.603 110.370 108.800 -0.056 0.000 2.147 620 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.244 620 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.244 620 G C -0.338 174.433 174.900 -0.216 0.000 1.005 620 G CA -0.176 44.859 45.100 -0.109 0.000 0.713 620 G HN 0.556 nan 8.290 nan 0.000 0.515 621 N N -0.195 118.401 118.700 -0.174 0.000 2.443 621 N HA 0.554 5.294 4.740 -0.000 0.000 0.295 621 N C 0.044 175.431 175.510 -0.205 0.000 1.076 621 N CA -0.511 52.414 53.050 -0.207 0.000 0.919 621 N CB 0.597 39.039 38.487 -0.074 0.000 1.176 621 N HN -0.003 nan 8.380 nan 0.000 0.487 622 F N 0.584 120.490 119.950 -0.075 0.000 2.578 622 F HA -0.015 4.512 4.527 -0.000 0.000 0.381 622 F C 2.224 177.983 175.800 -0.067 0.000 1.069 622 F CA 0.263 58.209 58.000 -0.090 0.000 1.231 622 F CB 0.227 39.133 39.000 -0.157 0.000 1.086 622 F HN 0.430 nan 8.300 nan 0.000 0.564 623 T N 0.323 114.963 114.554 0.145 0.000 2.951 623 T HA -0.139 4.211 4.350 -0.000 0.000 0.268 623 T C 0.205 174.931 174.700 0.043 0.000 1.073 623 T CA 1.072 63.214 62.100 0.069 0.000 1.134 623 T CB -0.322 68.579 68.868 0.055 0.000 0.884 623 T HN 0.453 nan 8.240 nan 0.000 0.479 624 D N 0.012 120.431 120.400 0.032 0.000 2.461 624 D HA 0.529 5.169 4.640 -0.000 0.000 0.240 624 D C 0.749 177.005 176.300 -0.073 0.000 1.094 624 D CA -0.302 53.680 54.000 -0.031 0.000 0.868 624 D CB 1.220 41.984 40.800 -0.061 0.000 1.062 624 D HN 0.092 nan 8.370 nan 0.000 0.530 625 A N 3.909 126.701 122.820 -0.048 0.000 2.070 625 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 625 A C 1.385 178.896 177.584 -0.122 0.000 1.159 625 A CA 1.159 53.159 52.037 -0.062 0.000 0.656 625 A CB -0.233 18.750 19.000 -0.028 0.000 0.800 625 A HN 0.673 nan 8.150 nan 0.000 0.453 626 N N -0.856 117.770 118.700 -0.124 0.000 2.205 626 N HA 0.387 5.127 4.740 -0.000 0.000 0.201 626 N C 0.355 175.763 175.510 -0.171 0.000 1.128 626 N CA 0.235 53.207 53.050 -0.131 0.000 0.867 626 N CB 0.402 38.836 38.487 -0.089 0.000 0.996 626 N HN 0.421 nan 8.380 nan 0.000 0.503 627 A N 1.081 123.768 122.820 -0.221 0.000 2.466 627 A HA 0.040 4.360 4.320 -0.000 0.000 0.238 627 A C 0.350 177.743 177.584 -0.319 0.000 1.074 627 A CA -0.084 51.801 52.037 -0.253 0.000 0.774 627 A CB 0.102 18.928 19.000 -0.290 0.000 1.015 627 A HN 0.235 nan 8.150 nan 0.000 0.498 628 N N 0.744 119.291 118.700 -0.254 0.000 2.406 628 N HA 0.076 4.816 4.740 -0.000 0.000 0.265 628 N C 0.071 175.349 175.510 -0.386 0.000 1.203 628 N CA 0.354 53.263 53.050 -0.235 0.000 0.945 628 N CB -0.036 38.382 38.487 -0.116 0.000 1.165 628 N HN 0.549 nan 8.380 nan 0.000 0.485 629 R N 1.285 121.497 120.500 -0.481 0.000 2.748 629 R HA 0.122 4.462 4.340 -0.000 0.000 0.395 629 R C 0.167 176.385 176.300 -0.138 0.000 1.128 629 R CA -0.377 55.336 56.100 -0.645 0.000 1.042 629 R CB 0.168 29.755 30.300 -1.188 0.000 1.392 629 R HN 0.576 nan 8.270 nan 0.000 0.582 630 S N -1.061 114.606 115.700 -0.054 0.000 2.608 630 S HA 0.066 4.536 4.470 -0.000 0.000 0.261 630 S C 1.020 175.747 174.600 0.210 0.000 1.314 630 S CA -0.714 57.478 58.200 -0.014 0.000 0.992 630 S CB 0.700 63.855 63.200 -0.075 0.000 0.935 630 S HN 0.261 nan 8.310 nan 0.000 0.564 631 W N 0.944 122.262 121.300 0.030 0.000 2.338 631 W HA -0.058 4.602 4.660 -0.000 0.000 0.304 631 W C 2.822 179.335 176.519 -0.010 0.000 1.212 631 W CA 0.791 58.146 57.345 0.016 0.000 1.264 631 W CB -2.036 27.418 29.460 -0.011 0.000 1.142 631 W HN 0.702 nan 8.180 nan 0.000 0.512 632 S N -0.495 115.327 115.700 0.204 0.000 2.368 632 S HA -0.196 4.273 4.470 -0.000 0.000 0.224 632 S C 1.999 176.661 174.600 0.102 0.000 1.029 632 S CA 1.463 59.723 58.200 0.101 0.000 0.988 632 S CB -0.908 62.330 63.200 0.062 0.000 0.838 632 S HN 0.381 nan 8.310 nan 0.000 0.462 633 c N 1.972 120.654 118.600 0.138 0.000 2.473 633 c HA 0.033 4.603 4.570 -0.000 0.000 0.279 633 c C 2.972 177.192 174.090 0.217 0.000 1.250 633 c CA 0.944 57.377 56.329 0.174 0.000 1.713 633 c CB -1.497 41.127 42.510 0.191 0.000 2.066 633 c HN 0.569 nan 8.230 nan 0.000 0.474 634 A N 0.587 123.596 122.820 0.314 0.000 1.873 634 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 634 A C 2.311 179.903 177.584 0.014 0.000 1.193 634 A CA 2.363 54.489 52.037 0.147 0.000 0.629 634 A CB -0.982 18.174 19.000 0.259 0.000 0.826 634 A HN 0.800 nan 8.150 nan 0.000 0.447 635 K N 0.246 120.662 120.400 0.027 0.000 2.074 635 K HA -0.188 4.131 4.320 -0.000 0.000 0.209 635 K C 2.106 178.744 176.600 0.065 0.000 1.048 635 K CA 1.996 58.259 56.287 -0.039 0.000 0.926 635 K CB -0.245 32.143 32.500 -0.187 0.000 0.713 635 K HN 0.621 nan 8.250 nan 0.000 0.444 636 S N 0.078 115.819 115.700 0.068 0.000 2.515 636 S HA -0.035 4.435 4.470 -0.000 0.000 0.231 636 S C 1.686 176.322 174.600 0.060 0.000 0.987 636 S CA 0.534 58.790 58.200 0.093 0.000 0.936 636 S CB -0.135 63.111 63.200 0.077 0.000 0.766 636 S HN 0.342 nan 8.310 nan 0.000 0.528 637 L N 0.102 121.332 121.223 0.012 0.000 2.585 637 L HA 0.337 4.677 4.340 -0.000 0.000 0.226 637 L C 1.980 178.797 176.870 -0.088 0.000 1.113 637 L CA 0.081 54.889 54.840 -0.053 0.000 0.876 637 L CB -0.205 41.780 42.059 -0.123 0.000 1.072 637 L HN 0.282 nan 8.230 nan 0.000 0.468 638 L N -0.090 121.111 121.223 -0.037 0.000 2.072 638 L HA -0.097 4.243 4.340 -0.000 0.000 0.205 638 L C 0.652 177.465 176.870 -0.096 0.000 1.079 638 L CA 0.540 55.347 54.840 -0.055 0.000 0.752 638 L CB -0.344 41.743 42.059 0.047 0.000 0.906 638 L HN 0.156 nan 8.230 nan 0.000 0.436 639 K N -0.885 119.490 120.400 -0.042 0.000 3.730 639 K HA -0.203 4.116 4.320 -0.000 0.000 0.276 639 K C -1.969 174.552 176.600 -0.131 0.000 0.904 639 K CA 0.010 56.247 56.287 -0.083 0.000 0.741 639 K CB -1.006 31.440 32.500 -0.091 0.000 1.542 639 K HN 0.231 nan 8.250 nan 0.000 0.446 640 P HA -0.091 nan 4.420 nan 0.000 0.221 640 P C 0.205 177.483 177.300 -0.036 0.000 1.150 640 P CA 0.879 63.944 63.100 -0.059 0.000 0.800 640 P CB 0.253 31.848 31.700 -0.176 0.000 0.787 641 I N 0.585 121.009 120.570 -0.244 0.000 2.339 641 I HA 0.289 4.459 4.170 -0.000 0.000 0.290 641 I C 0.385 176.241 176.117 -0.434 0.000 0.994 641 I CA -0.676 60.359 61.300 -0.441 0.000 1.191 641 I CB 0.911 38.387 38.000 -0.874 0.000 1.343 641 I HN -0.047 nan 8.210 nan 0.000 0.458 642 E N 4.517 124.572 120.200 -0.241 0.000 2.288 642 E HA 0.553 4.903 4.350 -0.000 0.000 0.268 642 E C -1.229 175.316 176.600 -0.092 0.000 0.885 642 E CA -0.835 55.492 56.400 -0.122 0.000 0.767 642 E CB 3.361 33.091 29.700 0.050 0.000 1.220 642 E HN 0.233 nan 8.360 nan 0.000 0.427 643 V N 1.830 121.751 119.914 0.011 0.000 2.439 643 V HA 0.442 4.562 4.120 -0.000 0.000 0.282 643 V C 0.679 176.811 176.094 0.064 0.000 1.039 643 V CA -0.399 61.939 62.300 0.063 0.000 0.913 643 V CB 1.355 33.266 31.823 0.146 0.000 0.983 643 V HN 0.799 nan 8.190 nan 0.000 0.460 644 G N 1.841 110.676 108.800 0.059 0.000 2.532 644 G HA2 0.282 4.242 3.960 -0.000 0.000 0.291 644 G HA3 0.282 4.242 3.960 -0.000 0.000 0.291 644 G C 0.292 175.227 174.900 0.058 0.000 1.349 644 G CA -0.308 44.826 45.100 0.055 0.000 1.038 644 G HN 0.645 nan 8.290 nan 0.000 0.518 645 D N -0.438 119.990 120.400 0.046 0.000 2.264 645 D HA -0.037 4.603 4.640 -0.000 0.000 0.208 645 D C 2.200 178.529 176.300 0.050 0.000 0.966 645 D CA 0.954 54.979 54.000 0.042 0.000 0.864 645 D CB 0.156 40.973 40.800 0.028 0.000 0.933 645 D HN 0.189 nan 8.370 nan 0.000 0.499 646 S N -0.708 115.026 115.700 0.056 0.000 2.634 646 S HA 0.322 4.792 4.470 -0.000 0.000 0.221 646 S C 1.518 176.207 174.600 0.148 0.000 0.952 646 S CA 0.265 58.523 58.200 0.098 0.000 0.930 646 S CB 0.643 63.884 63.200 0.069 0.000 0.780 646 S HN 0.371 nan 8.310 nan 0.000 0.498 647 G N 2.538 111.405 108.800 0.111 0.000 2.168 647 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.257 647 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.257 647 G C 0.058 175.035 174.900 0.128 0.000 0.997 647 G CA 0.416 45.583 45.100 0.112 0.000 0.708 647 G HN 0.608 nan 8.290 nan 0.000 0.520 648 Q N 0.479 120.360 119.800 0.136 0.000 2.205 648 Q HA 0.597 4.936 4.340 -0.000 0.000 0.249 648 Q C 0.337 176.391 176.000 0.090 0.000 0.948 648 Q CA -1.027 54.863 55.803 0.146 0.000 0.895 648 Q CB 1.189 30.032 28.738 0.175 0.000 1.249 648 Q HN 0.283 nan 8.270 nan 0.000 0.458 649 I N 2.049 122.666 120.570 0.077 0.000 2.533 649 I HA 0.073 4.242 4.170 -0.000 0.000 0.284 649 I C 0.751 176.910 176.117 0.069 0.000 1.109 649 I CA 0.065 61.378 61.300 0.021 0.000 1.412 649 I CB -0.102 37.868 38.000 -0.049 0.000 1.396 649 I HN 0.519 nan 8.210 nan 0.000 0.543 650 K N 5.198 125.580 120.400 -0.030 0.000 2.401 650 K HA -0.018 4.302 4.320 -0.000 0.000 0.278 650 K C 0.965 177.412 176.600 -0.255 0.000 1.018 650 K CA 0.028 56.256 56.287 -0.099 0.000 0.981 650 K CB 1.111 33.553 32.500 -0.097 0.000 0.933 650 K HN 0.547 nan 8.250 nan 0.000 0.477 651 E N 3.105 123.016 120.200 -0.483 0.000 2.250 651 E HA -0.011 4.339 4.350 -0.000 0.000 0.192 651 E C -0.490 175.385 176.600 -1.210 0.000 0.986 651 E CA 0.369 56.171 56.400 -0.997 0.000 0.849 651 E CB 0.485 29.207 29.700 -1.630 0.000 0.797 651 E HN 0.427 nan 8.360 nan 0.000 0.482 652 W N -0.406 120.613 121.300 -0.469 0.000 2.844 652 W HA 0.212 4.872 4.660 -0.000 0.000 0.340 652 W C -0.255 175.871 176.519 -0.656 0.000 1.093 652 W CA -0.873 56.062 57.345 -0.682 0.000 1.212 652 W CB 0.426 29.383 29.460 -0.838 0.000 1.422 652 W HN 0.032 nan 8.180 nan 0.000 0.515 653 Y N 0.785 120.986 120.300 -0.166 0.000 2.571 653 Y HA -0.191 4.359 4.550 -0.000 0.000 0.294 653 Y C 1.954 177.871 175.900 0.028 0.000 1.141 653 Y CA 0.927 58.984 58.100 -0.072 0.000 1.308 653 Y CB -0.584 37.846 38.460 -0.051 0.000 1.002 653 Y HN 0.219 nan 8.280 nan 0.000 0.551 654 F N -0.342 119.735 119.950 0.210 0.000 2.732 654 F HA 0.286 4.813 4.527 -0.000 0.000 0.303 654 F C 0.492 176.341 175.800 0.081 0.000 1.110 654 F CA -1.561 56.512 58.000 0.122 0.000 1.355 654 F CB -1.243 37.804 39.000 0.077 0.000 1.081 654 F HN -0.080 nan 8.300 nan 0.000 0.565 655 E N 0.811 121.254 120.200 0.404 0.000 2.398 655 E HA 0.416 4.766 4.350 -0.000 0.000 0.263 655 E C 0.826 177.523 176.600 0.161 0.000 1.046 655 E CA 0.343 56.919 56.400 0.293 0.000 0.908 655 E CB 0.793 30.621 29.700 0.214 0.000 0.963 655 E HN 0.366 nan 8.360 nan 0.000 0.431 656 G N 2.974 111.831 108.800 0.096 0.000 2.727 656 G HA2 0.458 4.418 3.960 -0.000 0.000 0.212 656 G HA3 0.458 4.418 3.960 -0.000 0.000 0.212 656 G C -0.155 174.759 174.900 0.023 0.000 2.076 656 G CA 0.267 45.398 45.100 0.052 0.000 0.744 656 G HN 0.737 nan 8.290 nan 0.000 0.775 657 A N -0.447 122.368 122.820 -0.010 0.000 2.327 657 A HA 0.557 4.877 4.320 -0.000 0.000 0.255 657 A C 0.124 177.654 177.584 -0.091 0.000 1.099 657 A CA -0.402 51.612 52.037 -0.038 0.000 0.801 657 A CB 0.194 19.166 19.000 -0.047 0.000 1.062 657 A HN 0.898 nan 8.150 nan 0.000 0.496 658 L N 1.029 122.165 121.223 -0.144 0.000 2.578 658 L HA 0.372 4.712 4.340 -0.000 0.000 0.279 658 L C 1.455 178.083 176.870 -0.404 0.000 1.227 658 L CA 2.084 56.776 54.840 -0.247 0.000 0.900 658 L CB -0.223 41.622 42.059 -0.356 0.000 1.144 658 L HN 1.622 nan 8.230 nan 0.000 0.496 659 G N 2.654 111.056 108.800 -0.662 0.000 2.205 659 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.269 659 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.269 659 G C 0.498 175.109 174.900 -0.481 0.000 0.977 659 G CA 0.978 45.383 45.100 -1.159 0.000 0.652 659 G HN 0.658 nan 8.290 nan 0.000 0.539 660 K N -0.602 119.645 120.400 -0.255 0.000 2.400 660 K HA 0.635 4.955 4.320 -0.000 0.000 0.246 660 K C 0.177 176.737 176.600 -0.067 0.000 0.995 660 K CA -0.971 55.229 56.287 -0.145 0.000 0.840 660 K CB 1.720 34.152 32.500 -0.114 0.000 1.293 660 K HN 0.108 nan 8.250 nan 0.000 0.445 661 K N 0.789 121.141 120.400 -0.080 0.000 2.240 661 K HA 0.254 4.574 4.320 -0.000 0.000 0.237 661 K C 0.743 177.327 176.600 -0.027 0.000 1.027 661 K CA -0.533 55.721 56.287 -0.055 0.000 0.937 661 K CB 0.774 33.154 32.500 -0.199 0.000 1.171 661 K HN 0.327 nan 8.250 nan 0.000 0.479 662 K N 0.950 121.349 120.400 -0.002 0.000 2.097 662 K HA -0.158 4.162 4.320 -0.000 0.000 0.205 662 K C 1.277 177.871 176.600 -0.010 0.000 1.050 662 K CA 1.916 58.210 56.287 0.012 0.000 0.938 662 K CB -0.041 32.480 32.500 0.036 0.000 0.718 662 K HN 0.603 nan 8.250 nan 0.000 0.442 663 D N -1.245 119.136 120.400 -0.032 0.000 2.312 663 D HA -0.062 4.578 4.640 -0.000 0.000 0.211 663 D C 1.225 177.504 176.300 -0.036 0.000 0.964 663 D CA 1.261 55.240 54.000 -0.034 0.000 0.877 663 D CB 0.117 40.889 40.800 -0.046 0.000 0.924 663 D HN 0.330 nan 8.370 nan 0.000 0.515 664 G N -0.145 108.628 108.800 -0.044 0.000 2.253 664 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.209 664 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.209 664 G C 0.343 175.209 174.900 -0.057 0.000 0.997 664 G CA 0.193 45.267 45.100 -0.043 0.000 0.640 664 G HN 0.781 nan 8.290 nan 0.000 0.496 665 S N 1.530 117.187 115.700 -0.072 0.000 2.560 665 S HA 0.474 4.943 4.470 -0.000 0.000 0.284 665 S C 0.794 175.333 174.600 -0.102 0.000 1.327 665 S CA 0.760 58.910 58.200 -0.084 0.000 1.055 665 S CB 0.957 64.097 63.200 -0.101 0.000 0.868 665 S HN 1.679 nan 8.310 nan 0.000 0.506 666 T N 0.673 115.174 114.554 -0.088 0.000 2.900 666 T HA 0.343 4.693 4.350 -0.000 0.000 0.307 666 T C 0.283 174.904 174.700 -0.132 0.000 1.065 666 T CA -0.739 61.303 62.100 -0.096 0.000 1.105 666 T CB -0.206 68.633 68.868 -0.050 0.000 0.979 666 T HN 0.593 nan 8.240 nan 0.000 0.544 667 I N 2.596 123.075 120.570 -0.151 0.000 2.379 667 I HA 0.099 4.268 4.170 -0.000 0.000 0.290 667 I C 0.735 176.775 176.117 -0.129 0.000 1.063 667 I CA -0.403 60.774 61.300 -0.204 0.000 1.351 667 I CB 0.674 38.503 38.000 -0.285 0.000 1.410 667 I HN 0.701 nan 8.210 nan 0.000 0.505 668 S N 5.121 120.739 115.700 -0.138 0.000 2.544 668 S HA 0.180 4.650 4.470 -0.000 0.000 0.290 668 S C 1.202 175.784 174.600 -0.029 0.000 1.276 668 S CA 0.596 58.758 58.200 -0.064 0.000 1.075 668 S CB 0.630 63.790 63.200 -0.066 0.000 0.849 668 S HN 1.101 nan 8.310 nan 0.000 0.494 669 G N 2.134 110.954 108.800 0.034 0.000 2.199 669 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.254 669 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.254 669 G C -0.014 174.935 174.900 0.081 0.000 0.982 669 G CA 0.083 45.225 45.100 0.070 0.000 0.632 669 G HN 0.790 nan 8.290 nan 0.000 0.529 670 Y N 2.110 122.386 120.300 -0.039 0.000 2.620 670 Y HA 0.386 4.936 4.550 -0.000 0.000 0.330 670 Y C 0.922 176.847 175.900 0.041 0.000 1.186 670 Y CA 0.565 58.672 58.100 0.012 0.000 1.467 670 Y CB 0.558 39.022 38.460 0.007 0.000 1.262 670 Y HN 0.381 nan 8.280 nan 0.000 0.550 671 Q N 5.753 125.231 119.800 -0.537 0.000 2.263 671 Q HA 0.222 4.561 4.340 -0.000 0.000 0.270 671 Q C 0.713 176.511 176.000 -0.336 0.000 1.104 671 Q CA 0.251 55.868 55.803 -0.311 0.000 0.909 671 Q CB 0.864 29.503 28.738 -0.165 0.000 1.214 671 Q HN 0.988 nan 8.270 nan 0.000 0.400 672 A N 4.192 127.005 122.820 -0.012 0.000 1.969 672 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 672 A C 0.526 178.195 177.584 0.141 0.000 1.169 672 A CA 1.271 53.398 52.037 0.150 0.000 0.635 672 A CB -0.350 18.728 19.000 0.130 0.000 0.810 672 A HN 0.929 nan 8.150 nan 0.000 0.445 673 D N -0.641 119.804 120.400 0.076 0.000 2.363 673 D HA 0.011 4.651 4.640 -0.000 0.000 0.240 673 D C -0.143 176.213 176.300 0.094 0.000 1.236 673 D CA -0.418 53.636 54.000 0.089 0.000 0.927 673 D CB 0.137 40.976 40.800 0.065 0.000 1.150 673 D HN 0.102 nan 8.370 nan 0.000 0.458 674 N N 0.053 118.836 118.700 0.139 0.000 2.327 674 N HA -0.005 4.735 4.740 -0.000 0.000 0.231 674 N C 0.009 175.595 175.510 0.125 0.000 1.130 674 N CA -0.059 53.093 53.050 0.170 0.000 0.845 674 N CB 0.447 39.099 38.487 0.275 0.000 1.073 674 N HN 0.367 nan 8.380 nan 0.000 0.496 675 Q N -0.072 119.765 119.800 0.062 0.000 2.189 675 Q HA 0.042 4.382 4.340 -0.000 0.000 0.221 675 Q C -0.184 175.827 176.000 0.018 0.000 0.848 675 Q CA -0.371 55.456 55.803 0.041 0.000 1.007 675 Q CB -0.497 28.246 28.738 0.009 0.000 1.116 675 Q HN 0.407 nan 8.270 nan 0.000 0.481 676 H N 2.110 121.151 119.070 -0.048 0.000 3.094 676 H HA -0.072 4.484 4.556 -0.000 0.000 0.320 676 H C 1.601 176.931 175.328 0.004 0.000 1.000 676 H CA 0.802 56.837 56.048 -0.020 0.000 1.413 676 H CB 0.726 30.470 29.762 -0.030 0.000 1.405 676 H HN 0.179 nan 8.280 nan 0.000 0.586 677 R N 3.759 123.886 120.500 -0.622 0.000 2.091 677 R HA -0.092 4.248 4.340 -0.000 0.000 0.238 677 R C 0.152 176.201 176.300 -0.419 0.000 1.136 677 R CA 1.034 56.776 56.100 -0.598 0.000 0.959 677 R CB -0.485 29.368 30.300 -0.746 0.000 0.856 677 R HN 0.572 nan 8.270 nan 0.000 0.437 678 H N 0.944 119.891 119.070 -0.205 0.000 2.707 678 H HA 0.175 4.731 4.556 -0.000 0.000 0.359 678 H C 0.141 175.633 175.328 0.272 0.000 1.113 678 H CA 0.362 56.583 56.048 0.287 0.000 1.422 678 H CB 1.059 31.041 29.762 0.368 0.000 1.443 678 H HN 0.175 nan 8.280 nan 0.000 0.591 679 M N 2.213 122.047 119.600 0.390 0.000 2.952 679 M HA 0.113 4.593 4.480 -0.000 0.000 0.259 679 M C 0.831 177.281 176.300 0.251 0.000 1.306 679 M CA -0.191 55.291 55.300 0.303 0.000 0.626 679 M CB 0.859 33.543 32.600 0.140 0.000 1.423 679 M HN 0.368 nan 8.290 nan 0.000 0.459 680 S N 0.171 116.036 115.700 0.275 0.000 2.442 680 S HA -0.116 4.354 4.470 -0.000 0.000 0.236 680 S C 1.700 176.381 174.600 0.136 0.000 1.007 680 S CA 1.218 59.497 58.200 0.132 0.000 0.965 680 S CB -0.376 62.691 63.200 -0.222 0.000 0.773 680 S HN 0.673 nan 8.310 nan 0.000 0.504 681 H N 0.117 119.116 119.070 -0.120 0.000 2.539 681 H HA 0.269 4.825 4.556 -0.000 0.000 0.267 681 H C 1.059 176.293 175.328 -0.157 0.000 0.982 681 H CA 0.143 56.078 56.048 -0.189 0.000 1.146 681 H CB -0.431 29.147 29.762 -0.307 0.000 1.382 681 H HN 0.359 nan 8.280 nan 0.000 0.577 682 L N 0.956 121.939 121.223 -0.401 0.000 2.769 682 L HA 0.199 4.539 4.340 -0.000 0.000 0.240 682 L C 1.742 178.492 176.870 -0.200 0.000 1.163 682 L CA -0.094 54.531 54.840 -0.358 0.000 0.962 682 L CB 0.213 42.036 42.059 -0.394 0.000 1.258 682 L HN 0.101 nan 8.230 nan 0.000 0.513 683 L N 0.101 121.207 121.223 -0.194 0.000 2.265 683 L HA -0.096 4.244 4.340 -0.000 0.000 0.215 683 L C 2.527 179.257 176.870 -0.233 0.000 1.117 683 L CA 1.268 55.965 54.840 -0.239 0.000 0.782 683 L CB -0.807 40.980 42.059 -0.455 0.000 0.914 683 L HN 0.403 nan 8.230 nan 0.000 0.441 684 G N 0.342 109.005 108.800 -0.228 0.000 2.448 684 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.219 684 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.219 684 G C 1.569 176.366 174.900 -0.171 0.000 1.127 684 G CA 0.580 45.545 45.100 -0.225 0.000 0.766 684 G HN 0.254 nan 8.290 nan 0.000 0.552 685 L N -1.603 119.534 121.223 -0.143 0.000 2.102 685 L HA 0.501 4.841 4.340 -0.000 0.000 0.202 685 L C 0.192 177.064 176.870 0.002 0.000 1.076 685 L CA 0.889 55.681 54.840 -0.080 0.000 0.761 685 L CB 0.046 42.043 42.059 -0.104 0.000 0.921 685 L HN 0.110 nan 8.230 nan 0.000 0.444 686 F N -0.111 119.744 119.950 -0.159 0.000 2.588 686 F HA 0.460 4.986 4.527 -0.000 0.000 0.314 686 F C -2.189 173.506 175.800 -0.176 0.000 1.134 686 F CA -1.722 56.171 58.000 -0.179 0.000 0.961 686 F CB 1.537 40.411 39.000 -0.210 0.000 1.239 686 F HN -0.176 nan 8.300 nan 0.000 0.448 687 P HA 0.171 nan 4.420 nan 0.000 0.249 687 P C 0.575 177.544 177.300 -0.551 0.000 1.229 687 P CA 0.463 62.665 63.100 -1.497 0.000 0.788 687 P CB 0.308 31.350 31.700 -1.097 0.000 1.072 688 G N 0.564 109.184 108.800 -0.299 0.000 2.508 688 G HA2 0.170 4.130 3.960 -0.000 0.000 0.278 688 G HA3 0.170 4.130 3.960 -0.000 0.000 0.278 688 G C -0.076 174.796 174.900 -0.048 0.000 1.389 688 G CA -0.201 44.831 45.100 -0.114 0.000 1.050 688 G HN -0.065 nan 8.290 nan 0.000 0.522 689 D N -0.760 119.676 120.400 0.060 0.000 2.563 689 D HA 0.075 4.715 4.640 -0.000 0.000 0.237 689 D C 1.676 178.020 176.300 0.072 0.000 1.282 689 D CA -0.398 53.659 54.000 0.096 0.000 0.816 689 D CB 0.980 41.881 40.800 0.168 0.000 1.066 689 D HN 0.126 nan 8.370 nan 0.000 0.501 690 L N 0.185 121.335 121.223 -0.122 0.000 2.162 690 L HA 0.271 4.611 4.340 -0.000 0.000 0.205 690 L C 0.238 176.969 176.870 -0.233 0.000 1.086 690 L CA 1.315 55.883 54.840 -0.453 0.000 0.778 690 L CB 0.212 41.819 42.059 -0.753 0.000 0.928 690 L HN -0.132 nan 8.230 nan 0.000 0.446 691 I N 0.286 120.775 120.570 -0.136 0.000 2.410 691 I HA 0.344 4.514 4.170 -0.000 0.000 0.286 691 I C -0.315 175.786 176.117 -0.027 0.000 1.009 691 I CA -0.293 60.972 61.300 -0.058 0.000 1.111 691 I CB 1.477 39.440 38.000 -0.061 0.000 1.262 691 I HN 0.132 nan 8.210 nan 0.000 0.443 692 T N 1.606 116.161 114.554 0.002 0.000 2.838 692 T HA 0.407 4.757 4.350 -0.000 0.000 0.292 692 T C 0.631 175.354 174.700 0.038 0.000 1.113 692 T CA -0.647 61.469 62.100 0.028 0.000 1.008 692 T CB 1.684 70.585 68.868 0.055 0.000 1.259 692 T HN 0.336 nan 8.240 nan 0.000 0.520 693 I N 0.787 121.396 120.570 0.064 0.000 2.423 693 I HA -0.096 4.074 4.170 -0.000 0.000 0.254 693 I C 1.525 177.679 176.117 0.062 0.000 1.151 693 I CA 1.730 63.072 61.300 0.071 0.000 1.421 693 I CB -0.321 37.740 38.000 0.102 0.000 1.079 693 I HN 0.652 nan 8.210 nan 0.000 0.431 694 D N -0.334 120.115 120.400 0.082 0.000 2.269 694 D HA 0.004 4.644 4.640 -0.000 0.000 0.220 694 D C 0.620 176.911 176.300 -0.014 0.000 0.962 694 D CA 0.537 54.553 54.000 0.027 0.000 0.884 694 D CB -0.162 40.687 40.800 0.082 0.000 1.023 694 D HN 0.359 nan 8.370 nan 0.000 0.484 695 N N 1.696 120.403 118.700 0.012 0.000 3.188 695 N HA 0.043 4.783 4.740 -0.000 0.000 0.279 695 N C 0.284 175.775 175.510 -0.033 0.000 1.213 695 N CA 0.013 53.056 53.050 -0.012 0.000 1.138 695 N CB 0.678 39.176 38.487 0.020 0.000 1.417 695 N HN 0.015 nan 8.380 nan 0.000 0.526 696 S N -0.921 114.743 115.700 -0.059 0.000 2.574 696 S HA 0.073 4.543 4.470 -0.000 0.000 0.242 696 S C 1.191 175.721 174.600 -0.118 0.000 0.982 696 S CA -0.474 57.691 58.200 -0.059 0.000 0.977 696 S CB 0.418 63.594 63.200 -0.040 0.000 0.814 696 S HN 0.392 nan 8.310 nan 0.000 0.464 697 E N 0.645 120.712 120.200 -0.221 0.000 2.147 697 E HA -0.206 4.144 4.350 -0.000 0.000 0.199 697 E C 0.103 176.424 176.600 -0.464 0.000 1.005 697 E CA 1.387 57.527 56.400 -0.433 0.000 0.810 697 E CB -0.045 29.212 29.700 -0.737 0.000 0.736 697 E HN 0.833 nan 8.360 nan 0.000 0.460 698 Y N -1.616 118.650 120.300 -0.057 0.000 2.612 698 Y HA 0.154 4.704 4.550 -0.000 0.000 0.250 698 Y C 1.322 177.181 175.900 -0.067 0.000 1.175 698 Y CA -0.239 57.824 58.100 -0.062 0.000 1.205 698 Y CB 0.231 38.640 38.460 -0.085 0.000 1.201 698 Y HN 0.067 nan 8.280 nan 0.000 0.532 699 M N 0.626 120.246 119.600 0.033 0.000 2.117 699 M HA -0.149 4.330 4.480 -0.000 0.000 0.262 699 M C 1.316 177.615 176.300 -0.001 0.000 1.065 699 M CA 1.889 57.191 55.300 0.003 0.000 1.114 699 M CB -0.250 32.346 32.600 -0.007 0.000 1.361 699 M HN 0.046 nan 8.290 nan 0.000 0.408 700 D N 0.004 120.409 120.400 0.009 0.000 2.117 700 D HA -0.065 4.575 4.640 -0.000 0.000 0.197 700 D C 1.979 178.295 176.300 0.026 0.000 0.987 700 D CA 1.757 55.767 54.000 0.015 0.000 0.829 700 D CB -0.369 40.439 40.800 0.014 0.000 0.961 700 D HN 0.475 nan 8.370 nan 0.000 0.460 701 A N 0.820 123.673 122.820 0.054 0.000 1.902 701 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 701 A C 2.289 179.885 177.584 0.019 0.000 1.181 701 A CA 2.223 54.301 52.037 0.069 0.000 0.623 701 A CB -0.740 18.334 19.000 0.123 0.000 0.818 701 A HN 0.235 nan 8.150 nan 0.000 0.443 702 A N -0.115 122.690 122.820 -0.024 0.000 1.877 702 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 702 A C 2.114 179.591 177.584 -0.179 0.000 1.186 702 A CA 1.862 53.829 52.037 -0.116 0.000 0.620 702 A CB -0.479 18.441 19.000 -0.135 0.000 0.822 702 A HN 0.532 nan 8.150 nan 0.000 0.443 703 K N -0.880 119.430 120.400 -0.151 0.000 2.063 703 K HA -0.113 4.207 4.320 -0.000 0.000 0.208 703 K C 2.128 178.688 176.600 -0.067 0.000 1.048 703 K CA 1.788 57.968 56.287 -0.178 0.000 0.928 703 K CB -0.422 32.072 32.500 -0.009 0.000 0.713 703 K HN 0.502 nan 8.250 nan 0.000 0.442 704 T N 0.616 115.164 114.554 -0.010 0.000 2.708 704 T HA -0.131 4.219 4.350 -0.000 0.000 0.266 704 T C 2.083 176.844 174.700 0.102 0.000 1.037 704 T CA 1.611 63.724 62.100 0.022 0.000 1.146 704 T CB -0.219 68.697 68.868 0.080 0.000 0.865 704 T HN 0.145 nan 8.240 nan 0.000 0.435 705 S N 1.228 116.996 115.700 0.114 0.000 2.359 705 S HA -0.007 4.463 4.470 -0.000 0.000 0.224 705 S C 2.048 176.731 174.600 0.138 0.000 1.035 705 S CA 0.928 59.241 58.200 0.189 0.000 1.018 705 S CB -0.529 62.726 63.200 0.092 0.000 0.876 705 S HN 0.333 nan 8.310 nan 0.000 0.448 706 L N 0.879 122.061 121.223 -0.069 0.000 2.012 706 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 706 L C 2.788 179.825 176.870 0.278 0.000 1.073 706 L CA 1.397 56.158 54.840 -0.130 0.000 0.748 706 L CB -0.459 41.057 42.059 -0.905 0.000 0.891 706 L HN 0.237 nan 8.230 nan 0.000 0.431 707 R N -1.038 119.668 120.500 0.343 0.000 2.096 707 R HA -0.224 4.116 4.340 -0.000 0.000 0.240 707 R C 2.320 178.838 176.300 0.364 0.000 1.139 707 R CA 1.900 58.270 56.100 0.449 0.000 0.952 707 R CB -0.547 29.795 30.300 0.069 0.000 0.854 707 R HN 0.258 nan 8.270 nan 0.000 0.436 708 Y N 0.191 120.661 120.300 0.284 0.000 2.274 708 Y HA -0.129 4.421 4.550 -0.000 0.000 0.290 708 Y C 2.307 178.343 175.900 0.227 0.000 1.145 708 Y CA 1.048 59.294 58.100 0.243 0.000 1.203 708 Y CB -0.053 38.531 38.460 0.207 0.000 0.984 708 Y HN -0.099 nan 8.280 nan 0.000 0.533 709 R N -1.682 119.038 120.500 0.368 0.000 2.299 709 R HA 0.056 4.396 4.340 -0.000 0.000 0.197 709 R C 1.100 177.494 176.300 0.158 0.000 0.971 709 R CA 0.664 56.908 56.100 0.240 0.000 1.030 709 R CB -0.516 29.901 30.300 0.197 0.000 0.932 709 R HN 0.343 nan 8.270 nan 0.000 0.477 710 C N -1.554 117.863 119.300 0.195 0.000 3.545 710 C HA 0.408 4.868 4.460 -0.000 0.000 0.368 710 C C -0.039 174.748 174.990 -0.338 0.000 1.400 710 C CA -0.472 58.517 59.018 -0.048 0.000 1.848 710 C CB -0.005 27.739 27.740 0.006 0.000 2.576 710 C HN 0.029 nan 8.230 nan 0.000 0.683 711 F N 1.165 121.184 119.950 0.116 0.000 2.565 711 F HA 0.462 4.989 4.527 -0.000 0.000 0.313 711 F C 0.015 175.874 175.800 0.099 0.000 1.091 711 F CA -0.602 57.442 58.000 0.073 0.000 0.915 711 F CB 1.171 40.196 39.000 0.042 0.000 1.208 711 F HN -0.278 nan 8.300 nan 0.000 0.453 712 K N 2.192 122.750 120.400 0.264 0.000 2.449 712 K HA 0.537 4.857 4.320 -0.000 0.000 0.257 712 K C 0.557 177.269 176.600 0.185 0.000 0.989 712 K CA -0.084 56.324 56.287 0.203 0.000 0.916 712 K CB 1.366 33.946 32.500 0.133 0.000 1.136 712 K HN 0.847 nan 8.250 nan 0.000 0.439 713 G N 3.289 112.187 108.800 0.163 0.000 2.634 713 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.318 713 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.318 713 G C 0.408 175.358 174.900 0.083 0.000 1.207 713 G CA 0.296 45.455 45.100 0.098 0.000 0.987 713 G HN 0.666 nan 8.290 nan 0.000 0.547 714 N N 0.533 119.276 118.700 0.073 0.000 2.230 714 N HA 0.234 4.974 4.740 -0.000 0.000 0.202 714 N C 0.057 175.697 175.510 0.216 0.000 1.119 714 N CA 0.486 53.564 53.050 0.047 0.000 0.851 714 N CB 1.319 39.797 38.487 -0.015 0.000 0.990 714 N HN 0.337 nan 8.380 nan 0.000 0.497 715 V N 2.517 122.584 119.914 0.256 0.000 2.348 715 V HA 0.179 4.299 4.120 -0.000 0.000 0.270 715 V C 0.172 176.357 176.094 0.152 0.000 1.037 715 V CA -0.868 61.541 62.300 0.182 0.000 0.872 715 V CB 1.275 33.152 31.823 0.090 0.000 1.002 715 V HN 0.091 nan 8.190 nan 0.000 0.464 716 L N 6.403 127.618 121.223 -0.013 0.000 2.455 716 L HA 0.284 4.624 4.340 -0.000 0.000 0.272 716 L C 0.276 176.962 176.870 -0.306 0.000 1.174 716 L CA 0.753 55.279 54.840 -0.523 0.000 0.869 716 L CB 0.541 42.328 42.059 -0.454 0.000 1.130 716 L HN 0.596 nan 8.230 nan 0.000 0.474 717 Q N 3.210 122.807 119.800 -0.338 0.000 2.226 717 Q HA 0.356 4.696 4.340 -0.000 0.000 0.256 717 Q C -0.270 175.613 176.000 -0.195 0.000 0.962 717 Q CA -0.414 55.277 55.803 -0.187 0.000 0.887 717 Q CB 1.655 30.321 28.738 -0.120 0.000 1.282 717 Q HN 0.780 nan 8.270 nan 0.000 0.449 718 S N 1.131 116.743 115.700 -0.147 0.000 2.681 718 S HA 0.480 4.950 4.470 -0.000 0.000 0.270 718 S C -0.258 174.233 174.600 -0.182 0.000 1.209 718 S CA -0.240 57.864 58.200 -0.159 0.000 0.988 718 S CB 0.746 63.873 63.200 -0.122 0.000 1.006 718 S HN 0.649 nan 8.310 nan 0.000 0.558 719 N N -0.977 117.585 118.700 -0.231 0.000 3.308 719 N HA 0.251 4.991 4.740 -0.000 0.000 0.276 719 N C -1.368 173.904 175.510 -0.396 0.000 1.533 719 N CA -0.147 52.718 53.050 -0.308 0.000 0.878 719 N CB 1.320 39.597 38.487 -0.349 0.000 1.566 719 N HN 0.817 nan 8.380 nan 0.000 0.546 720 T N -1.687 112.525 114.554 -0.571 0.000 2.855 720 T HA 0.207 4.557 4.350 -0.000 0.000 0.314 720 T C 1.565 175.908 174.700 -0.594 0.000 1.077 720 T CA 0.558 62.249 62.100 -0.682 0.000 1.095 720 T CB 0.274 68.468 68.868 -1.123 0.000 0.987 720 T HN 0.545 nan 8.240 nan 0.000 0.546 721 G N 1.206 109.745 108.800 -0.436 0.000 2.476 721 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 721 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 721 G C 1.400 176.198 174.900 -0.170 0.000 1.164 721 G CA 0.990 45.912 45.100 -0.296 0.000 0.768 721 G HN 1.005 nan 8.290 nan 0.000 0.560 722 W N 0.950 122.157 121.300 -0.156 0.000 2.388 722 W HA 0.260 4.920 4.660 -0.000 0.000 0.294 722 W C 2.233 178.706 176.519 -0.077 0.000 1.212 722 W CA 0.965 58.246 57.345 -0.108 0.000 1.271 722 W CB -0.896 28.480 29.460 -0.141 0.000 1.126 722 W HN 0.308 nan 8.180 nan 0.000 0.535 723 A N 1.955 124.230 122.820 -0.909 0.000 1.933 723 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 723 A C 2.140 179.539 177.584 -0.308 0.000 1.175 723 A CA 2.024 53.548 52.037 -0.856 0.000 0.628 723 A CB -0.965 17.287 19.000 -1.246 0.000 0.814 723 A HN 0.356 nan 8.150 nan 0.000 0.444 724 I N -0.386 120.015 120.570 -0.282 0.000 2.252 724 I HA -0.165 4.005 4.170 -0.000 0.000 0.245 724 I C 2.677 178.779 176.117 -0.025 0.000 1.102 724 I CA 1.046 62.258 61.300 -0.146 0.000 1.385 724 I CB -0.627 37.265 38.000 -0.180 0.000 1.064 724 I HN 0.384 nan 8.210 nan 0.000 0.414 725 G N -0.052 108.767 108.800 0.031 0.000 2.422 725 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.218 725 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.218 725 G C 1.586 176.620 174.900 0.223 0.000 1.146 725 G CA 0.579 45.765 45.100 0.144 0.000 0.769 725 G HN 0.403 nan 8.290 nan 0.000 0.547 726 Q N -0.077 119.908 119.800 0.308 0.000 2.119 726 Q HA -0.045 4.295 4.340 -0.000 0.000 0.201 726 Q C 2.715 178.766 176.000 0.085 0.000 0.972 726 Q CA 0.901 56.911 55.803 0.346 0.000 0.847 726 Q CB -0.050 29.005 28.738 0.528 0.000 0.903 726 Q HN 0.438 nan 8.270 nan 0.000 0.433 727 R N -0.062 120.487 120.500 0.080 0.000 2.096 727 R HA -0.091 4.249 4.340 -0.000 0.000 0.235 727 R C 2.286 178.680 176.300 0.157 0.000 1.127 727 R CA 1.496 57.660 56.100 0.106 0.000 0.968 727 R CB -0.260 30.124 30.300 0.140 0.000 0.861 727 R HN 0.332 nan 8.270 nan 0.000 0.440 728 I N 1.084 121.703 120.570 0.082 0.000 2.113 728 I HA -0.322 3.848 4.170 -0.000 0.000 0.238 728 I C 1.969 178.066 176.117 -0.033 0.000 1.070 728 I CA 1.299 62.637 61.300 0.063 0.000 1.332 728 I CB -0.499 37.532 38.000 0.051 0.000 1.044 728 I HN 0.217 nan 8.210 nan 0.000 0.402 729 N N 0.673 119.231 118.700 -0.236 0.000 2.061 729 N HA -0.167 4.573 4.740 -0.000 0.000 0.193 729 N C 2.031 177.176 175.510 -0.608 0.000 1.030 729 N CA 1.953 54.590 53.050 -0.688 0.000 0.856 729 N CB -0.244 37.262 38.487 -1.635 0.000 1.023 729 N HN 0.304 nan 8.380 nan 0.000 0.424 730 S N 0.119 115.578 115.700 -0.403 0.000 2.368 730 S HA -0.101 4.369 4.470 -0.000 0.000 0.224 730 S C 1.670 176.173 174.600 -0.162 0.000 1.029 730 S CA 0.801 58.872 58.200 -0.215 0.000 0.988 730 S CB -0.421 62.653 63.200 -0.210 0.000 0.838 730 S HN 0.466 nan 8.310 nan 0.000 0.462 731 W N 1.781 123.037 121.300 -0.074 0.000 2.363 731 W HA -0.020 4.640 4.660 -0.000 0.000 0.296 731 W C 2.727 179.221 176.519 -0.041 0.000 1.212 731 W CA 0.657 57.980 57.345 -0.037 0.000 1.260 731 W CB -0.452 28.995 29.460 -0.022 0.000 1.131 731 W HN 0.287 nan 8.180 nan 0.000 0.530 732 A N 0.438 123.345 122.820 0.146 0.000 1.908 732 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 732 A C 2.025 179.652 177.584 0.071 0.000 1.181 732 A CA 1.467 53.552 52.037 0.080 0.000 0.627 732 A CB -0.584 18.433 19.000 0.029 0.000 0.818 732 A HN 0.119 nan 8.150 nan 0.000 0.445 733 R N -0.190 120.342 120.500 0.054 0.000 2.152 733 R HA -0.097 4.243 4.340 -0.000 0.000 0.232 733 R C 2.287 178.618 176.300 0.051 0.000 1.117 733 R CA 1.783 57.922 56.100 0.065 0.000 0.981 733 R CB -1.480 28.873 30.300 0.090 0.000 0.870 733 R HN 0.798 nan 8.270 nan 0.000 0.451 734 T N -3.251 111.335 114.554 0.055 0.000 2.995 734 T HA 0.059 4.409 4.350 -0.000 0.000 0.269 734 T C 1.514 176.270 174.700 0.092 0.000 1.091 734 T CA 1.199 63.337 62.100 0.064 0.000 1.128 734 T CB 0.132 69.059 68.868 0.099 0.000 0.891 734 T HN 0.399 nan 8.240 nan 0.000 0.492 735 G N 1.225 110.083 108.800 0.096 0.000 2.195 735 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.246 735 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.246 735 G C -0.025 174.916 174.900 0.068 0.000 0.984 735 G CA 0.120 45.262 45.100 0.070 0.000 0.633 735 G HN 0.690 nan 8.290 nan 0.000 0.525 736 D N 1.455 121.930 120.400 0.125 0.000 2.498 736 D HA 0.438 5.078 4.640 -0.000 0.000 0.229 736 D C 1.733 178.050 176.300 0.028 0.000 1.188 736 D CA 0.675 54.729 54.000 0.090 0.000 1.028 736 D CB 0.006 40.908 40.800 0.169 0.000 1.087 736 D HN 0.260 nan 8.370 nan 0.000 0.510 737 G N 3.554 112.338 108.800 -0.025 0.000 2.422 737 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.218 737 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.218 737 G C 1.561 176.392 174.900 -0.115 0.000 1.146 737 G CA 0.152 45.203 45.100 -0.082 0.000 0.769 737 G HN 0.389 nan 8.290 nan 0.000 0.547 738 N N 0.600 119.236 118.700 -0.107 0.000 2.084 738 N HA -0.088 4.652 4.740 -0.000 0.000 0.190 738 N C 2.419 177.853 175.510 -0.127 0.000 1.030 738 N CA 1.739 54.728 53.050 -0.101 0.000 0.849 738 N CB -0.872 37.559 38.487 -0.094 0.000 1.012 738 N HN 0.234 nan 8.380 nan 0.000 0.423 739 T N 0.602 115.017 114.554 -0.232 0.000 2.708 739 T HA -0.090 4.260 4.350 -0.000 0.000 0.266 739 T C 1.913 176.379 174.700 -0.389 0.000 1.037 739 T CA 1.687 63.526 62.100 -0.435 0.000 1.146 739 T CB -0.680 67.636 68.868 -0.920 0.000 0.865 739 T HN 0.298 nan 8.240 nan 0.000 0.435 740 T N 1.170 115.598 114.554 -0.210 0.000 2.699 740 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 740 T C 1.638 176.285 174.700 -0.088 0.000 1.036 740 T CA 1.485 63.546 62.100 -0.065 0.000 1.147 740 T CB -0.546 68.341 68.868 0.031 0.000 0.862 740 T HN 0.492 nan 8.240 nan 0.000 0.446 741 Y N 1.802 121.961 120.300 -0.234 0.000 2.293 741 Y HA -0.089 4.461 4.550 -0.000 0.000 0.291 741 Y C 2.492 178.301 175.900 -0.153 0.000 1.137 741 Y CA 0.997 58.943 58.100 -0.258 0.000 1.202 741 Y CB -0.474 37.742 38.460 -0.407 0.000 0.990 741 Y HN 0.243 nan 8.280 nan 0.000 0.537 742 Q N -0.158 119.461 119.800 -0.303 0.000 2.096 742 Q HA -0.223 4.117 4.340 -0.000 0.000 0.204 742 Q C 2.234 178.053 176.000 -0.301 0.000 0.982 742 Q CA 2.140 57.756 55.803 -0.311 0.000 0.850 742 Q CB -0.324 28.299 28.738 -0.193 0.000 0.901 742 Q HN 0.492 nan 8.270 nan 0.000 0.422 743 L N -0.441 120.635 121.223 -0.246 0.000 2.093 743 L HA -0.166 4.173 4.340 -0.000 0.000 0.208 743 L C 2.317 179.101 176.870 -0.144 0.000 1.085 743 L CA 0.649 55.386 54.840 -0.171 0.000 0.755 743 L CB -0.358 41.649 42.059 -0.086 0.000 0.904 743 L HN 0.049 nan 8.230 nan 0.000 0.435 744 V N -0.285 119.539 119.914 -0.150 0.000 2.255 744 V HA -0.356 3.764 4.120 -0.000 0.000 0.247 744 V C 2.482 178.505 176.094 -0.119 0.000 1.051 744 V CA 2.124 64.374 62.300 -0.083 0.000 1.018 744 V CB -0.460 31.373 31.823 0.017 0.000 0.641 744 V HN 0.472 nan 8.190 nan 0.000 0.445 745 E N -0.430 119.604 120.200 -0.276 0.000 2.058 745 E HA -0.286 4.064 4.350 -0.000 0.000 0.194 745 E C 2.172 178.749 176.600 -0.038 0.000 0.997 745 E CA 1.680 58.005 56.400 -0.125 0.000 0.801 745 E CB -0.224 29.261 29.700 -0.359 0.000 0.746 745 E HN 0.420 nan 8.360 nan 0.000 0.450 746 L N 1.273 122.420 121.223 -0.127 0.000 2.043 746 L HA -0.282 4.058 4.340 -0.000 0.000 0.212 746 L C 2.409 179.211 176.870 -0.113 0.000 1.075 746 L CA 1.959 56.730 54.840 -0.116 0.000 0.752 746 L CB -0.429 41.533 42.059 -0.161 0.000 0.891 746 L HN 0.204 nan 8.230 nan 0.000 0.432 747 Q N -1.362 118.367 119.800 -0.118 0.000 2.046 747 Q HA -0.212 4.128 4.340 -0.000 0.000 0.200 747 Q C 2.190 178.105 176.000 -0.141 0.000 0.975 747 Q CA 1.667 57.386 55.803 -0.140 0.000 0.836 747 Q CB -0.084 28.593 28.738 -0.101 0.000 0.896 747 Q HN 0.446 nan 8.270 nan 0.000 0.428 748 L N 0.910 122.067 121.223 -0.109 0.000 2.083 748 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 748 L C 2.144 178.964 176.870 -0.084 0.000 1.083 748 L CA 1.775 56.516 54.840 -0.166 0.000 0.752 748 L CB -0.397 41.425 42.059 -0.396 0.000 0.899 748 L HN 0.093 nan 8.230 nan 0.000 0.433 749 K N -0.876 119.540 120.400 0.026 0.000 2.103 749 K HA 0.007 4.327 4.320 -0.000 0.000 0.204 749 K C 1.200 177.809 176.600 0.014 0.000 1.052 749 K CA 1.008 57.344 56.287 0.082 0.000 0.945 749 K CB 0.046 32.604 32.500 0.096 0.000 0.722 749 K HN 0.355 nan 8.250 nan 0.000 0.443 750 N N -1.135 117.519 118.700 -0.076 0.000 2.171 750 N HA 0.106 4.846 4.740 -0.000 0.000 0.212 750 N C 0.059 175.330 175.510 -0.399 0.000 1.184 750 N CA 0.229 53.206 53.050 -0.122 0.000 0.888 750 N CB 1.859 40.270 38.487 -0.127 0.000 1.038 750 N HN 0.016 nan 8.380 nan 0.000 0.517 751 A N 0.116 122.609 122.820 -0.545 0.000 2.596 751 A HA 0.374 4.694 4.320 -0.000 0.000 0.276 751 A C -0.236 176.862 177.584 -0.810 0.000 0.962 751 A CA -0.148 51.231 52.037 -1.097 0.000 1.010 751 A CB 0.464 19.060 19.000 -0.672 0.000 1.220 751 A HN -0.048 nan 8.150 nan 0.000 0.549 752 M N 0.992 120.403 119.600 -0.315 0.000 2.190 752 M HA 0.466 4.946 4.480 -0.000 0.000 0.312 752 M C -1.134 175.306 176.300 0.233 0.000 0.990 752 M CA -0.626 54.657 55.300 -0.028 0.000 0.927 752 M CB 0.877 33.454 32.600 -0.038 0.000 1.571 752 M HN 0.237 nan 8.290 nan 0.000 0.427 753 Y N 0.776 121.239 120.300 0.272 0.000 2.260 753 Y HA 0.302 4.852 4.550 -0.000 0.000 0.339 753 Y C 1.639 177.527 175.900 -0.021 0.000 1.317 753 Y CA -0.074 58.079 58.100 0.089 0.000 1.514 753 Y CB 0.231 38.687 38.460 -0.007 0.000 1.382 753 Y HN 0.804 nan 8.280 nan 0.000 0.581 754 A N 0.885 123.757 122.820 0.086 0.000 2.019 754 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 754 A C 1.464 179.023 177.584 -0.042 0.000 1.164 754 A CA 1.651 53.688 52.037 0.002 0.000 0.644 754 A CB -0.940 18.029 19.000 -0.052 0.000 0.805 754 A HN 0.771 nan 8.150 nan 0.000 0.449 755 N N -0.868 117.711 118.700 -0.201 0.000 2.314 755 N HA 0.176 4.915 4.740 -0.000 0.000 0.200 755 N C 0.178 175.511 175.510 -0.294 0.000 1.135 755 N CA 0.123 52.958 53.050 -0.358 0.000 0.835 755 N CB 0.026 38.095 38.487 -0.696 0.000 0.989 755 N HN 0.096 nan 8.380 nan 0.000 0.478 756 L N -1.301 119.860 121.223 -0.103 0.000 4.696 756 L HA -0.194 4.146 4.340 -0.000 0.000 0.425 756 L C -0.564 176.491 176.870 0.308 0.000 1.115 756 L CA 0.247 55.084 54.840 -0.005 0.000 0.996 756 L CB -2.384 39.499 42.059 -0.293 0.000 2.077 756 L HN 0.131 nan 8.230 nan 0.000 0.792 757 F N 1.054 121.042 119.950 0.063 0.000 2.538 757 F HA 0.228 4.754 4.527 -0.000 0.000 0.371 757 F C 1.478 177.296 175.800 0.031 0.000 1.087 757 F CA -0.772 57.216 58.000 -0.021 0.000 1.250 757 F CB 0.287 39.069 39.000 -0.364 0.000 1.110 757 F HN 0.160 nan 8.300 nan 0.000 0.570 758 D N 3.095 123.630 120.400 0.225 0.000 2.399 758 D HA 0.233 4.873 4.640 -0.000 0.000 0.241 758 D C -1.057 175.277 176.300 0.057 0.000 1.133 758 D CA 0.175 54.200 54.000 0.041 0.000 0.890 758 D CB 0.437 41.236 40.800 -0.001 0.000 1.201 758 D HN 0.370 nan 8.370 nan 0.000 0.432 759 Y N 0.633 120.803 120.300 -0.217 0.000 2.553 759 Y HA 0.335 4.885 4.550 -0.000 0.000 0.347 759 Y C 0.079 175.945 175.900 -0.057 0.000 1.019 759 Y CA -0.962 57.001 58.100 -0.229 0.000 1.032 759 Y CB 1.037 39.029 38.460 -0.781 0.000 1.284 759 Y HN 0.526 nan 8.280 nan 0.000 0.466 760 H N 2.315 121.506 119.070 0.201 0.000 2.399 760 H HA 0.398 4.954 4.556 -0.000 0.000 0.300 760 H C 0.270 175.726 175.328 0.214 0.000 1.048 760 H CA 1.178 57.330 56.048 0.172 0.000 1.370 760 H CB 0.118 30.059 29.762 0.298 0.000 1.428 760 H HN 0.877 nan 8.280 nan 0.000 0.534 761 A N 2.480 125.615 122.820 0.524 0.000 2.287 761 A HA 0.397 4.717 4.320 -0.000 0.000 0.273 761 A C -1.985 175.875 177.584 0.459 0.000 1.091 761 A CA -1.153 51.187 52.037 0.504 0.000 0.817 761 A CB 0.251 19.427 19.000 0.294 0.000 1.069 761 A HN 0.293 nan 8.150 nan 0.000 0.492 762 P HA 0.198 nan 4.420 nan 0.000 0.297 762 P C -0.041 177.442 177.300 0.305 0.000 1.303 762 P CA -0.577 62.644 63.100 0.201 0.000 0.753 762 P CB 0.164 31.894 31.700 0.051 0.000 1.281 763 F N 1.026 121.062 119.950 0.144 0.000 2.548 763 F HA -0.047 4.480 4.527 -0.000 0.000 0.403 763 F C -0.206 175.653 175.800 0.098 0.000 1.004 763 F CA 0.827 58.900 58.000 0.121 0.000 1.177 763 F CB -0.447 38.620 39.000 0.112 0.000 0.974 763 F HN 0.090 nan 8.300 nan 0.000 0.541 764 Q N 7.456 127.142 119.800 -0.190 0.000 2.285 764 Q HA 0.261 4.601 4.340 -0.000 0.000 0.269 764 Q C 0.809 176.573 176.000 -0.394 0.000 1.030 764 Q CA -0.478 55.067 55.803 -0.430 0.000 0.788 764 Q CB 2.079 30.781 28.738 -0.060 0.000 1.266 764 Q HN 0.965 nan 8.270 nan 0.000 0.438 765 I N 2.009 122.249 120.570 -0.550 0.000 2.676 765 I HA -0.225 3.945 4.170 -0.000 0.000 0.259 765 I C 1.154 177.143 176.117 -0.214 0.000 1.194 765 I CA 1.116 62.240 61.300 -0.293 0.000 1.473 765 I CB 0.386 38.262 38.000 -0.207 0.000 1.096 765 I HN 0.649 nan 8.210 nan 0.000 0.443 766 D N 0.640 120.971 120.400 -0.115 0.000 2.133 766 D HA -0.249 4.391 4.640 -0.000 0.000 0.192 766 D C 2.084 178.395 176.300 0.019 0.000 1.001 766 D CA 1.633 55.616 54.000 -0.030 0.000 0.844 766 D CB -1.340 39.377 40.800 -0.139 0.000 0.944 766 D HN 0.344 nan 8.370 nan 0.000 0.447 767 G N -0.287 108.525 108.800 0.021 0.000 2.443 767 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.219 767 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.219 767 G C 1.564 176.465 174.900 0.002 0.000 1.131 767 G CA 0.738 45.864 45.100 0.044 0.000 0.775 767 G HN 0.346 nan 8.290 nan 0.000 0.547 768 N N -0.078 118.558 118.700 -0.106 0.000 2.120 768 N HA -0.080 4.660 4.740 -0.000 0.000 0.188 768 N C 1.734 177.163 175.510 -0.135 0.000 1.024 768 N CA 1.320 54.264 53.050 -0.178 0.000 0.852 768 N CB -0.237 38.007 38.487 -0.404 0.000 1.003 768 N HN 0.313 nan 8.380 nan 0.000 0.424 769 F N 0.202 120.154 119.950 0.004 0.000 2.234 769 F HA 0.178 4.705 4.527 -0.000 0.000 0.296 769 F C 2.498 178.354 175.800 0.093 0.000 1.089 769 F CA 0.663 58.656 58.000 -0.012 0.000 1.343 769 F CB -1.077 37.853 39.000 -0.115 0.000 1.040 769 F HN 0.033 nan 8.300 nan 0.000 0.498 770 G N -0.033 108.940 108.800 0.288 0.000 2.422 770 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.218 770 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.218 770 G C 1.755 176.821 174.900 0.277 0.000 1.146 770 G CA 1.002 46.318 45.100 0.360 0.000 0.769 770 G HN 0.345 nan 8.290 nan 0.000 0.547 771 N N 0.477 119.294 118.700 0.195 0.000 2.084 771 N HA -0.130 4.610 4.740 -0.000 0.000 0.190 771 N C 2.173 177.836 175.510 0.256 0.000 1.030 771 N CA 1.964 55.127 53.050 0.188 0.000 0.849 771 N CB -0.485 38.086 38.487 0.140 0.000 1.012 771 N HN 0.224 nan 8.380 nan 0.000 0.423 772 T N 0.051 114.734 114.554 0.216 0.000 2.652 772 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 772 T C 2.029 176.923 174.700 0.324 0.000 1.039 772 T CA 1.711 63.922 62.100 0.184 0.000 1.153 772 T CB -0.618 68.217 68.868 -0.055 0.000 0.863 772 T HN 0.339 nan 8.240 nan 0.000 0.428 773 S N 0.653 116.534 115.700 0.302 0.000 2.359 773 S HA -0.118 4.352 4.470 -0.000 0.000 0.223 773 S C 2.413 177.169 174.600 0.261 0.000 1.039 773 S CA 1.956 60.353 58.200 0.328 0.000 1.042 773 S CB -1.052 62.424 63.200 0.460 0.000 0.915 773 S HN 0.600 nan 8.310 nan 0.000 0.439 774 G N 0.728 109.653 108.800 0.209 0.000 2.476 774 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.218 774 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.218 774 G C 1.515 176.530 174.900 0.192 0.000 1.164 774 G CA 1.265 46.440 45.100 0.125 0.000 0.768 774 G HN 0.500 nan 8.290 nan 0.000 0.560 775 V N 1.165 121.258 119.914 0.298 0.000 2.358 775 V HA -0.134 3.986 4.120 -0.000 0.000 0.246 775 V C 2.583 178.834 176.094 0.260 0.000 1.047 775 V CA 2.124 64.624 62.300 0.334 0.000 1.035 775 V CB -0.462 31.601 31.823 0.400 0.000 0.658 775 V HN 0.252 nan 8.190 nan 0.000 0.452 776 D N 0.004 120.590 120.400 0.309 0.000 2.133 776 D HA -0.158 4.482 4.640 -0.000 0.000 0.195 776 D C 2.237 178.650 176.300 0.189 0.000 0.997 776 D CA 1.161 55.314 54.000 0.255 0.000 0.840 776 D CB -0.206 40.774 40.800 0.300 0.000 0.947 776 D HN 0.413 nan 8.370 nan 0.000 0.452 777 E N -0.311 119.996 120.200 0.179 0.000 2.268 777 E HA -0.055 4.295 4.350 -0.000 0.000 0.195 777 E C 2.105 178.759 176.600 0.089 0.000 0.995 777 E CA 0.309 56.789 56.400 0.133 0.000 0.836 777 E CB -0.153 29.613 29.700 0.110 0.000 0.763 777 E HN 0.450 nan 8.360 nan 0.000 0.491 778 M N -0.204 119.455 119.600 0.098 0.000 2.200 778 M HA -0.047 4.433 4.480 -0.000 0.000 0.265 778 M C 2.090 178.399 176.300 0.015 0.000 1.066 778 M CA 1.131 56.465 55.300 0.058 0.000 1.127 778 M CB 0.014 32.668 32.600 0.090 0.000 1.379 778 M HN 0.029 nan 8.290 nan 0.000 0.420 779 L N -1.002 120.244 121.223 0.039 0.000 2.408 779 L HA 0.239 4.579 4.340 -0.000 0.000 0.215 779 L C -0.096 176.765 176.870 -0.015 0.000 1.081 779 L CA -0.054 54.765 54.840 -0.034 0.000 0.840 779 L CB 0.393 42.456 42.059 0.005 0.000 1.002 779 L HN 0.209 nan 8.230 nan 0.000 0.468 780 L N -0.167 121.080 121.223 0.041 0.000 2.588 780 L HA 0.403 4.743 4.340 -0.000 0.000 0.263 780 L C -1.327 175.583 176.870 0.067 0.000 0.935 780 L CA -0.092 54.778 54.840 0.051 0.000 0.891 780 L CB 1.964 44.077 42.059 0.089 0.000 1.318 780 L HN -0.046 nan 8.230 nan 0.000 0.409 781 Q N 1.560 121.375 119.800 0.024 0.000 2.387 781 Q HA 0.779 5.119 4.340 -0.000 0.000 0.273 781 Q C -0.375 175.572 176.000 -0.089 0.000 1.089 781 Q CA -0.068 55.737 55.803 0.003 0.000 0.824 781 Q CB 2.275 31.008 28.738 -0.008 0.000 1.367 781 Q HN 0.710 nan 8.270 nan 0.000 0.443 782 S N -1.040 114.589 115.700 -0.119 0.000 3.051 782 S HA 0.042 4.512 4.470 -0.000 0.000 0.250 782 S C 0.151 174.602 174.600 -0.247 0.000 0.906 782 S CA -0.442 57.624 58.200 -0.223 0.000 1.234 782 S CB -0.124 62.981 63.200 -0.158 0.000 1.175 782 S HN 0.763 nan 8.310 nan 0.000 0.635 783 N N 0.952 119.536 118.700 -0.193 0.000 2.282 783 N HA 0.128 4.868 4.740 -0.000 0.000 0.185 783 N C 0.381 175.833 175.510 -0.097 0.000 1.099 783 N CA -0.036 52.943 53.050 -0.119 0.000 0.878 783 N CB 0.421 38.879 38.487 -0.048 0.000 0.993 783 N HN 0.300 nan 8.380 nan 0.000 0.481 784 S N -0.194 115.390 115.700 -0.193 0.000 2.693 784 S HA 0.455 4.925 4.470 -0.000 0.000 0.276 784 S C -0.559 174.099 174.600 0.097 0.000 1.192 784 S CA -0.148 58.022 58.200 -0.051 0.000 0.994 784 S CB 1.015 64.212 63.200 -0.006 0.000 1.012 784 S HN 0.230 nan 8.310 nan 0.000 0.550 785 T N 2.658 117.389 114.554 0.294 0.000 2.809 785 T HA 0.400 4.750 4.350 -0.000 0.000 0.284 785 T C -1.090 173.879 174.700 0.448 0.000 0.992 785 T CA -0.208 62.119 62.100 0.378 0.000 0.957 785 T CB 0.373 69.373 68.868 0.219 0.000 0.942 785 T HN 0.456 nan 8.240 nan 0.000 0.439 786 F N 2.997 123.144 119.950 0.329 0.000 2.396 786 F HA 0.476 5.002 4.527 -0.000 0.000 0.343 786 F C 0.325 176.221 175.800 0.160 0.000 1.104 786 F CA -0.168 57.864 58.000 0.053 0.000 1.161 786 F CB 0.972 39.771 39.000 -0.335 0.000 1.146 786 F HN 0.365 nan 8.300 nan 0.000 0.522 787 T N 5.528 119.918 114.554 -0.274 0.000 2.809 787 T HA 0.219 4.569 4.350 -0.000 0.000 0.296 787 T C -0.791 173.788 174.700 -0.201 0.000 1.015 787 T CA -0.807 61.239 62.100 -0.091 0.000 0.954 787 T CB 0.572 69.385 68.868 -0.091 0.000 0.950 787 T HN 0.601 nan 8.240 nan 0.000 0.450 788 D N 1.556 122.062 120.400 0.176 0.000 2.398 788 D HA 0.088 4.728 4.640 -0.000 0.000 0.247 788 D C 1.567 177.905 176.300 0.063 0.000 1.227 788 D CA -0.458 53.660 54.000 0.198 0.000 0.980 788 D CB 0.365 41.417 40.800 0.421 0.000 1.106 788 D HN 0.415 nan 8.370 nan 0.000 0.493 789 T N -3.080 111.506 114.554 0.054 0.000 2.962 789 T HA -0.018 4.332 4.350 -0.000 0.000 0.270 789 T C 1.738 176.455 174.700 0.028 0.000 1.088 789 T CA 0.785 62.896 62.100 0.018 0.000 1.127 789 T CB -0.533 68.347 68.868 0.019 0.000 0.883 789 T HN 0.527 nan 8.240 nan 0.000 0.493 790 A N 0.910 123.762 122.820 0.055 0.000 2.206 790 A HA 0.546 4.866 4.320 -0.000 0.000 0.211 790 A C 2.146 179.749 177.584 0.032 0.000 1.158 790 A CA 0.745 52.808 52.037 0.044 0.000 0.761 790 A CB -1.032 18.003 19.000 0.058 0.000 0.801 790 A HN 1.305 nan 8.150 nan 0.000 0.473 791 G N -0.934 107.886 108.800 0.033 0.000 2.176 791 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.232 791 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.232 791 G C 0.239 175.144 174.900 0.009 0.000 0.986 791 G CA 0.401 45.509 45.100 0.014 0.000 0.643 791 G HN 0.723 nan 8.290 nan 0.000 0.522 792 K N 1.119 121.536 120.400 0.027 0.000 2.298 792 K HA 0.443 4.763 4.320 -0.000 0.000 0.280 792 K C 0.219 176.753 176.600 -0.111 0.000 1.032 792 K CA -0.247 56.000 56.287 -0.068 0.000 0.958 792 K CB 0.334 32.791 32.500 -0.073 0.000 0.978 792 K HN -0.001 nan 8.250 nan 0.000 0.472 793 K N 3.760 124.014 120.400 -0.243 0.000 2.159 793 K HA 0.216 4.536 4.320 -0.000 0.000 0.266 793 K C -1.112 175.274 176.600 -0.356 0.000 0.975 793 K CA -0.512 55.698 56.287 -0.128 0.000 0.865 793 K CB 1.229 33.705 32.500 -0.039 0.000 1.087 793 K HN 0.521 nan 8.250 nan 0.000 0.446 794 Y N 0.613 121.013 120.300 0.168 0.000 2.426 794 Y HA 0.204 4.754 4.550 -0.000 0.000 0.325 794 Y C -0.007 176.028 175.900 0.224 0.000 0.989 794 Y CA -1.018 57.173 58.100 0.151 0.000 1.284 794 Y CB 1.381 39.898 38.460 0.095 0.000 1.104 794 Y HN 0.102 nan 8.280 nan 0.000 0.481 795 V N 3.805 123.857 119.914 0.230 0.000 2.498 795 V HA 0.118 4.238 4.120 -0.000 0.000 0.279 795 V C 0.111 176.292 176.094 0.145 0.000 1.048 795 V CA -0.680 61.729 62.300 0.182 0.000 0.967 795 V CB 0.790 32.677 31.823 0.106 0.000 0.988 795 V HN 0.925 nan 8.190 nan 0.000 0.473 796 N N 2.524 121.273 118.700 0.081 0.000 2.738 796 N HA -0.200 4.540 4.740 -0.000 0.000 0.249 796 N C -0.456 175.019 175.510 -0.059 0.000 1.047 796 N CA 0.928 53.943 53.050 -0.057 0.000 0.707 796 N CB -1.357 37.090 38.487 -0.066 0.000 0.937 796 N HN 0.878 nan 8.380 nan 0.000 0.545 797 Y N -1.810 118.495 120.300 0.009 0.000 2.357 797 Y HA 0.460 5.010 4.550 -0.000 0.000 0.340 797 Y C 0.819 176.656 175.900 -0.105 0.000 1.260 797 Y CA -0.689 57.369 58.100 -0.071 0.000 1.425 797 Y CB 0.469 38.887 38.460 -0.070 0.000 1.326 797 Y HN 0.047 nan 8.280 nan 0.000 0.580 798 T N 4.043 118.549 114.554 -0.079 0.000 2.737 798 T HA 0.117 4.467 4.350 -0.000 0.000 0.296 798 T C -0.469 174.228 174.700 -0.005 0.000 0.922 798 T CA -0.521 61.501 62.100 -0.132 0.000 1.079 798 T CB -0.260 68.459 68.868 -0.248 0.000 0.892 798 T HN 0.604 nan 8.240 nan 0.000 0.514 799 N N 4.095 122.773 118.700 -0.037 0.000 2.511 799 N HA 0.233 4.973 4.740 -0.000 0.000 0.249 799 N C -0.799 174.710 175.510 -0.001 0.000 0.971 799 N CA -0.765 52.313 53.050 0.046 0.000 0.938 799 N CB 0.392 38.912 38.487 0.056 0.000 1.131 799 N HN 0.367 nan 8.380 nan 0.000 0.505 800 I N 4.579 125.137 120.570 -0.021 0.000 2.395 800 I HA 0.215 4.385 4.170 -0.000 0.000 0.289 800 I C 0.942 177.014 176.117 -0.076 0.000 1.023 800 I CA -0.475 60.794 61.300 -0.051 0.000 1.350 800 I CB 0.307 38.258 38.000 -0.081 0.000 1.409 800 I HN 0.589 nan 8.210 nan 0.000 0.507 801 L N 7.238 128.393 121.223 -0.112 0.000 3.795 801 L HA -0.192 4.148 4.340 -0.000 0.000 0.489 801 L C -1.429 175.375 176.870 -0.111 0.000 1.259 801 L CA -0.315 54.415 54.840 -0.184 0.000 0.765 801 L CB -1.131 40.749 42.059 -0.299 0.000 1.519 801 L HN 0.528 nan 8.230 nan 0.000 0.842 802 P HA -0.044 nan 4.420 nan 0.000 0.225 802 P C 0.687 177.978 177.300 -0.014 0.000 1.156 802 P CA 1.702 64.796 63.100 -0.011 0.000 0.787 802 P CB 0.430 32.141 31.700 0.018 0.000 0.802 803 A N -0.008 122.788 122.820 -0.039 0.000 3.453 803 A HA 0.390 4.710 4.320 -0.000 0.000 0.262 803 A C -0.674 176.850 177.584 -0.099 0.000 1.026 803 A CA -0.427 51.586 52.037 -0.040 0.000 0.938 803 A CB -0.594 18.409 19.000 0.005 0.000 1.246 803 A HN 0.093 nan 8.150 nan 0.000 0.546 804 L N 2.059 123.197 121.223 -0.142 0.000 2.313 804 L HA 0.571 4.911 4.340 -0.000 0.000 0.282 804 L C -2.448 174.304 176.870 -0.197 0.000 1.092 804 L CA -1.529 53.189 54.840 -0.203 0.000 0.831 804 L CB 0.413 42.292 42.059 -0.301 0.000 1.159 804 L HN 0.196 nan 8.230 nan 0.000 0.442 805 P HA 0.197 nan 4.420 nan 0.000 0.275 805 P C -0.309 176.835 177.300 -0.261 0.000 1.227 805 P CA -0.246 62.625 63.100 -0.381 0.000 0.781 805 P CB 0.669 31.864 31.700 -0.841 0.000 0.906 806 D N 1.959 122.250 120.400 -0.181 0.000 2.221 806 D HA -0.153 4.487 4.640 -0.000 0.000 0.204 806 D C 1.852 178.092 176.300 -0.100 0.000 0.982 806 D CA 1.475 55.419 54.000 -0.093 0.000 0.857 806 D CB -0.543 40.218 40.800 -0.064 0.000 0.934 806 D HN 0.402 nan 8.370 nan 0.000 0.475 807 A N 0.231 122.887 122.820 -0.273 0.000 2.024 807 A HA -0.152 4.168 4.320 -0.000 0.000 0.220 807 A C 0.446 178.049 177.584 0.033 0.000 1.164 807 A CA 0.693 52.560 52.037 -0.284 0.000 0.643 807 A CB -0.380 18.130 19.000 -0.815 0.000 0.806 807 A HN 0.170 nan 8.150 nan 0.000 0.451 808 W N -0.753 120.484 121.300 -0.106 0.000 2.227 808 W HA 0.676 5.336 4.660 -0.000 0.000 0.308 808 W C 1.003 177.681 176.519 0.265 0.000 0.882 808 W CA -1.261 56.136 57.345 0.087 0.000 1.707 808 W CB -0.657 28.914 29.460 0.184 0.000 1.782 808 W HN 0.322 nan 8.180 nan 0.000 0.385 809 A N 1.445 124.469 122.820 0.341 0.000 1.968 809 A HA 0.336 4.656 4.320 -0.000 0.000 0.217 809 A C 1.213 178.987 177.584 0.316 0.000 1.169 809 A CA 1.402 53.606 52.037 0.279 0.000 0.638 809 A CB -0.191 18.890 19.000 0.135 0.000 0.812 809 A HN 0.378 nan 8.150 nan 0.000 0.446 810 G N -2.792 106.062 108.800 0.089 0.000 2.563 810 G HA2 0.624 4.584 3.960 -0.000 0.000 0.302 810 G HA3 0.624 4.584 3.960 -0.000 0.000 0.302 810 G C -0.397 174.039 174.900 -0.773 0.000 1.301 810 G CA -0.119 44.779 45.100 -0.337 0.000 0.965 810 G HN 1.191 nan 8.290 nan 0.000 0.480 811 G N -0.861 107.054 108.800 -1.475 0.000 2.322 811 G HA2 0.698 4.658 3.960 -0.000 0.000 0.295 811 G HA3 0.698 4.658 3.960 -0.000 0.000 0.295 811 G C -0.805 173.174 174.900 -1.535 0.000 1.369 811 G CA 0.446 44.653 45.100 -1.489 0.000 0.821 811 G HN 1.856 nan 8.290 nan 0.000 0.536 812 S N -2.153 113.016 115.700 -0.884 0.000 2.579 812 S HA 0.862 5.332 4.470 -0.000 0.000 0.272 812 S C -1.483 173.068 174.600 -0.082 0.000 1.141 812 S CA -0.471 57.511 58.200 -0.364 0.000 0.843 812 S CB 1.942 65.024 63.200 -0.197 0.000 1.122 812 S HN 2.109 nan 8.310 nan 0.000 0.468 813 V N 1.361 121.347 119.914 0.121 0.000 3.012 813 V HA 0.905 5.025 4.120 -0.000 0.000 0.307 813 V C -1.175 174.977 176.094 0.097 0.000 1.166 813 V CA 0.194 62.556 62.300 0.102 0.000 0.974 813 V CB 2.179 34.092 31.823 0.150 0.000 1.040 813 V HN 1.643 nan 8.190 nan 0.000 0.428 814 S N 3.292 119.034 115.700 0.070 0.000 2.549 814 S HA 0.833 5.303 4.470 -0.000 0.000 0.280 814 S C 0.421 175.069 174.600 0.080 0.000 1.109 814 S CA 0.206 58.451 58.200 0.075 0.000 0.905 814 S CB 1.682 64.914 63.200 0.054 0.000 1.081 814 S HN 2.623 nan 8.310 nan 0.000 0.477 815 G N 1.018 109.874 108.800 0.092 0.000 2.175 815 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.244 815 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.244 815 G C -0.062 174.906 174.900 0.113 0.000 0.982 815 G CA 0.008 45.163 45.100 0.092 0.000 0.641 815 G HN 0.890 nan 8.290 nan 0.000 0.527 816 L N 0.402 121.705 121.223 0.133 0.000 2.473 816 L HA 0.510 4.850 4.340 -0.000 0.000 0.268 816 L C 0.782 177.758 176.870 0.177 0.000 1.215 816 L CA -0.550 54.386 54.840 0.160 0.000 0.823 816 L CB 0.843 43.002 42.059 0.166 0.000 1.099 816 L HN -0.038 nan 8.230 nan 0.000 0.483 817 V N 0.907 120.949 119.914 0.214 0.000 2.495 817 V HA 0.662 4.782 4.120 -0.000 0.000 0.298 817 V C 0.227 176.549 176.094 0.380 0.000 1.031 817 V CA -0.630 61.835 62.300 0.274 0.000 0.871 817 V CB 1.465 33.448 31.823 0.265 0.000 0.988 817 V HN 0.890 nan 8.190 nan 0.000 0.432 818 A N 4.402 127.409 122.820 0.312 0.000 2.306 818 A HA 0.743 5.063 4.320 -0.000 0.000 0.330 818 A C 0.192 177.813 177.584 0.062 0.000 1.146 818 A CA -0.821 51.340 52.037 0.207 0.000 0.827 818 A CB 0.640 19.722 19.000 0.136 0.000 1.178 818 A HN 0.855 nan 8.150 nan 0.000 0.490 819 R N 0.038 120.335 120.500 -0.339 0.000 2.619 819 R HA 0.290 4.630 4.340 -0.000 0.000 0.268 819 R C 1.290 177.537 176.300 -0.089 0.000 0.990 819 R CA 1.647 57.461 56.100 -0.476 0.000 1.092 819 R CB 0.073 30.038 30.300 -0.557 0.000 0.935 819 R HN 1.646 nan 8.270 nan 0.000 0.415 820 G N 1.798 110.496 108.800 -0.170 0.000 2.175 820 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.244 820 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.244 820 G C 0.218 174.886 174.900 -0.386 0.000 0.982 820 G CA 0.158 45.168 45.100 -0.151 0.000 0.641 820 G HN 0.921 nan 8.290 nan 0.000 0.527 821 N N -1.511 117.045 118.700 -0.239 0.000 2.825 821 N HA -0.138 4.602 4.740 -0.000 0.000 0.253 821 N C -0.546 174.726 175.510 -0.396 0.000 1.097 821 N CA 0.457 53.367 53.050 -0.234 0.000 0.673 821 N CB -1.181 37.160 38.487 -0.242 0.000 0.923 821 N HN 0.501 nan 8.380 nan 0.000 0.561 822 F N 0.375 120.343 119.950 0.029 0.000 2.482 822 F HA 0.390 4.917 4.527 -0.000 0.000 0.331 822 F C 0.865 176.714 175.800 0.081 0.000 1.115 822 F CA -0.548 57.483 58.000 0.051 0.000 0.955 822 F CB 1.856 40.873 39.000 0.030 0.000 1.136 822 F HN -0.146 nan 8.300 nan 0.000 0.452 823 T N 3.190 117.894 114.554 0.249 0.000 2.856 823 T HA 0.547 4.897 4.350 -0.000 0.000 0.292 823 T C -0.432 174.387 174.700 0.200 0.000 0.980 823 T CA -0.474 61.742 62.100 0.194 0.000 1.091 823 T CB 1.218 70.169 68.868 0.138 0.000 0.936 823 T HN 0.284 nan 8.240 nan 0.000 0.503 824 V N 2.430 122.446 119.914 0.169 0.000 2.531 824 V HA 0.779 4.899 4.120 -0.000 0.000 0.301 824 V C 0.435 176.605 176.094 0.127 0.000 1.034 824 V CA -0.730 61.657 62.300 0.146 0.000 0.865 824 V CB 1.900 33.802 31.823 0.131 0.000 0.995 824 V HN 1.055 nan 8.190 nan 0.000 0.424 825 G N 1.553 110.425 108.800 0.120 0.000 2.524 825 G HA2 0.694 4.654 3.960 -0.000 0.000 0.310 825 G HA3 0.694 4.654 3.960 -0.000 0.000 0.310 825 G C -0.973 174.002 174.900 0.126 0.000 1.279 825 G CA -0.607 44.562 45.100 0.115 0.000 0.974 825 G HN 0.668 nan 8.290 nan 0.000 0.484 826 T N -0.258 114.395 114.554 0.166 0.000 2.993 826 T HA 0.675 5.025 4.350 -0.000 0.000 0.312 826 T C -0.733 174.144 174.700 0.295 0.000 1.115 826 T CA -0.330 61.896 62.100 0.210 0.000 1.027 826 T CB 1.644 70.626 68.868 0.191 0.000 1.116 826 T HN 0.503 nan 8.240 nan 0.000 0.464 827 T N 4.522 119.222 114.554 0.243 0.000 2.856 827 T HA 0.761 5.111 4.350 -0.000 0.000 0.283 827 T C -1.138 173.749 174.700 0.312 0.000 1.008 827 T CA -0.636 61.561 62.100 0.162 0.000 0.997 827 T CB 0.671 69.554 68.868 0.026 0.000 0.992 827 T HN 0.727 nan 8.240 nan 0.000 0.454 828 W N 0.891 122.211 121.300 0.033 0.000 3.033 828 W HA 0.863 5.523 4.660 -0.000 0.000 0.336 828 W C -1.444 175.098 176.519 0.039 0.000 1.173 828 W CA -1.021 56.352 57.345 0.048 0.000 1.185 828 W CB 1.273 30.765 29.460 0.055 0.000 1.425 828 W HN 0.164 nan 8.180 nan 0.000 0.536 829 K N 1.836 122.359 120.400 0.205 0.000 2.498 829 K HA 0.286 4.606 4.320 -0.000 0.000 0.254 829 K C -0.495 176.196 176.600 0.151 0.000 0.933 829 K CA -1.306 55.035 56.287 0.089 0.000 0.806 829 K CB 1.515 34.032 32.500 0.028 0.000 1.301 829 K HN 0.853 nan 8.250 nan 0.000 0.432 830 N N 0.919 119.694 118.700 0.124 0.000 2.721 830 N HA -0.270 4.470 4.740 -0.000 0.000 0.249 830 N C 0.507 176.105 175.510 0.146 0.000 1.072 830 N CA 0.879 53.996 53.050 0.112 0.000 0.710 830 N CB -0.783 37.746 38.487 0.071 0.000 0.993 830 N HN 1.003 nan 8.380 nan 0.000 0.547 831 G N -1.210 107.732 108.800 0.236 0.000 2.159 831 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.256 831 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.256 831 G C -0.119 174.872 174.900 0.151 0.000 0.977 831 G CA 0.902 46.115 45.100 0.190 0.000 0.652 831 G HN 0.495 nan 8.290 nan 0.000 0.531 832 K N -0.196 120.331 120.400 0.212 0.000 2.464 832 K HA 0.725 5.045 4.320 -0.000 0.000 0.253 832 K C 0.211 176.975 176.600 0.273 0.000 0.933 832 K CA -0.327 56.074 56.287 0.190 0.000 0.801 832 K CB 2.179 34.777 32.500 0.164 0.000 1.271 832 K HN 0.612 nan 8.250 nan 0.000 0.430 833 A N 0.970 123.940 122.820 0.250 0.000 2.511 833 A HA 0.132 4.452 4.320 -0.000 0.000 0.242 833 A C 0.969 178.761 177.584 0.347 0.000 1.069 833 A CA 0.333 52.535 52.037 0.276 0.000 0.763 833 A CB -0.123 18.935 19.000 0.098 0.000 1.001 833 A HN 0.879 nan 8.150 nan 0.000 0.498 834 T N -0.917 113.807 114.554 0.283 0.000 2.990 834 T HA 0.318 4.668 4.350 -0.000 0.000 0.249 834 T C 0.321 175.151 174.700 0.216 0.000 1.039 834 T CA 0.623 62.859 62.100 0.227 0.000 1.036 834 T CB 0.025 68.971 68.868 0.130 0.000 0.994 834 T HN 0.770 nan 8.240 nan 0.000 0.489 835 E N 0.310 120.627 120.200 0.195 0.000 2.381 835 E HA 0.509 4.859 4.350 -0.000 0.000 0.286 835 E C -2.160 174.513 176.600 0.121 0.000 0.960 835 E CA -0.695 55.794 56.400 0.149 0.000 0.793 835 E CB 2.618 32.380 29.700 0.104 0.000 1.225 835 E HN 0.072 nan 8.360 nan 0.000 0.420 836 V N 3.734 123.703 119.914 0.092 0.000 2.604 836 V HA 0.572 4.692 4.120 -0.000 0.000 0.305 836 V C -0.362 175.791 176.094 0.098 0.000 1.043 836 V CA -0.758 61.588 62.300 0.077 0.000 0.888 836 V CB 1.828 33.665 31.823 0.023 0.000 0.995 836 V HN 0.595 nan 8.190 nan 0.000 0.429 837 R N 3.434 123.999 120.500 0.108 0.000 2.360 837 R HA 0.610 4.950 4.340 -0.000 0.000 0.318 837 R C -1.367 175.028 176.300 0.158 0.000 0.950 837 R CA -0.682 55.491 56.100 0.122 0.000 0.837 837 R CB 1.847 32.205 30.300 0.095 0.000 1.165 837 R HN 0.544 nan 8.270 nan 0.000 0.458 838 L N 2.566 123.924 121.223 0.226 0.000 2.294 838 L HA 0.374 4.714 4.340 -0.000 0.000 0.283 838 L C -0.762 176.335 176.870 0.379 0.000 1.015 838 L CA 0.061 55.073 54.840 0.287 0.000 0.831 838 L CB 1.978 44.209 42.059 0.287 0.000 1.217 838 L HN 0.489 nan 8.230 nan 0.000 0.420 839 T N 2.884 117.625 114.554 0.312 0.000 2.744 839 T HA 0.247 4.597 4.350 -0.000 0.000 0.291 839 T C -0.013 174.885 174.700 0.331 0.000 0.957 839 T CA -0.227 62.035 62.100 0.270 0.000 1.002 839 T CB 1.003 69.965 68.868 0.157 0.000 0.919 839 T HN 0.580 nan 8.240 nan 0.000 0.468 840 S N 2.741 118.660 115.700 0.365 0.000 2.439 840 S HA 0.197 4.667 4.470 -0.000 0.000 0.282 840 S C 0.932 175.539 174.600 0.012 0.000 1.170 840 S CA -0.713 57.598 58.200 0.186 0.000 1.054 840 S CB -0.107 63.277 63.200 0.307 0.000 0.956 840 S HN 0.666 nan 8.310 nan 0.000 0.490 841 N N 3.424 122.041 118.700 -0.138 0.000 2.392 841 N HA 0.148 4.888 4.740 -0.000 0.000 0.177 841 N C 0.924 176.366 175.510 -0.113 0.000 1.066 841 N CA 0.130 53.126 53.050 -0.089 0.000 0.895 841 N CB 0.258 38.701 38.487 -0.074 0.000 0.988 841 N HN 0.391 nan 8.380 nan 0.000 0.457 842 K N -0.548 119.732 120.400 -0.201 0.000 2.477 842 K HA 0.257 4.576 4.320 -0.000 0.000 0.208 842 K C 0.613 177.144 176.600 -0.115 0.000 1.117 842 K CA 0.167 56.362 56.287 -0.154 0.000 1.039 842 K CB 1.458 33.842 32.500 -0.192 0.000 0.937 842 K HN 0.151 nan 8.250 nan 0.000 0.570 843 G N 2.395 111.139 108.800 -0.095 0.000 2.159 843 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.256 843 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.256 843 G C 0.116 175.004 174.900 -0.021 0.000 0.977 843 G CA 0.522 45.614 45.100 -0.014 0.000 0.652 843 G HN 0.283 nan 8.290 nan 0.000 0.531 844 K N 0.663 121.004 120.400 -0.098 0.000 2.382 844 K HA 0.295 4.615 4.320 -0.000 0.000 0.275 844 K C 0.954 177.634 176.600 0.134 0.000 1.009 844 K CA -0.308 55.974 56.287 -0.009 0.000 0.970 844 K CB 0.300 32.754 32.500 -0.076 0.000 0.934 844 K HN 0.385 nan 8.250 nan 0.000 0.479 845 Q N 1.979 121.824 119.800 0.075 0.000 2.286 845 Q HA 0.039 4.379 4.340 -0.000 0.000 0.290 845 Q C -0.945 175.019 176.000 -0.060 0.000 1.049 845 Q CA -0.201 55.598 55.803 -0.007 0.000 0.923 845 Q CB 0.703 29.435 28.738 -0.010 0.000 1.183 845 Q HN 0.638 nan 8.270 nan 0.000 0.383 846 A N 2.900 125.465 122.820 -0.426 0.000 2.354 846 A HA 0.661 4.981 4.320 -0.000 0.000 0.269 846 A C -0.792 176.400 177.584 -0.653 0.000 1.109 846 A CA 0.138 51.679 52.037 -0.827 0.000 0.800 846 A CB 0.918 18.936 19.000 -1.637 0.000 1.045 846 A HN 0.776 nan 8.150 nan 0.000 0.489 847 A N 2.111 124.623 122.820 -0.513 0.000 2.446 847 A HA 0.589 4.909 4.320 -0.000 0.000 0.282 847 A C -1.092 176.304 177.584 -0.314 0.000 1.102 847 A CA -0.332 51.486 52.037 -0.365 0.000 0.737 847 A CB 1.050 19.937 19.000 -0.188 0.000 1.212 847 A HN 1.129 nan 8.150 nan 0.000 0.434 848 V N 2.922 122.662 119.914 -0.290 0.000 2.407 848 V HA 0.424 4.544 4.120 -0.000 0.000 0.291 848 V C 0.123 176.101 176.094 -0.194 0.000 1.018 848 V CA -0.646 61.545 62.300 -0.181 0.000 0.842 848 V CB 1.565 33.330 31.823 -0.096 0.000 0.996 848 V HN 0.878 nan 8.190 nan 0.000 0.426 849 K N 4.677 125.013 120.400 -0.107 0.000 2.156 849 K HA 0.675 4.995 4.320 -0.000 0.000 0.271 849 K C -1.031 175.518 176.600 -0.085 0.000 0.995 849 K CA -0.618 55.599 56.287 -0.116 0.000 0.890 849 K CB 1.194 33.694 32.500 -0.001 0.000 1.073 849 K HN 0.658 nan 8.250 nan 0.000 0.454 850 I N 4.527 125.024 120.570 -0.122 0.000 2.428 850 I HA 0.083 4.253 4.170 -0.000 0.000 0.279 850 I C 0.833 176.908 176.117 -0.071 0.000 1.040 850 I CA -0.409 60.797 61.300 -0.156 0.000 1.171 850 I CB 1.720 39.493 38.000 -0.379 0.000 1.312 850 I HN 0.763 nan 8.210 nan 0.000 0.470 851 T N 3.436 117.969 114.554 -0.036 0.000 2.788 851 T HA -0.079 4.271 4.350 -0.000 0.000 0.268 851 T C 1.182 175.877 174.700 -0.009 0.000 1.044 851 T CA 1.159 63.256 62.100 -0.005 0.000 1.139 851 T CB 0.063 68.935 68.868 0.006 0.000 0.867 851 T HN 0.619 nan 8.240 nan 0.000 0.454 852 A N 0.538 123.338 122.820 -0.033 0.000 3.016 852 A HA 0.644 4.963 4.320 -0.000 0.000 0.303 852 A C 1.271 178.891 177.584 0.060 0.000 1.507 852 A CA 0.132 52.165 52.037 -0.007 0.000 1.196 852 A CB -0.713 18.252 19.000 -0.059 0.000 1.169 852 A HN 0.526 nan 8.150 nan 0.000 0.544 853 G N 0.066 108.928 108.800 0.103 0.000 3.505 853 G HA2 0.419 4.379 3.960 -0.000 0.000 0.210 853 G HA3 0.419 4.379 3.960 -0.000 0.000 0.210 853 G C 0.920 175.978 174.900 0.262 0.000 1.047 853 G CA 0.636 45.882 45.100 0.243 0.000 0.884 853 G HN 2.427 nan 8.290 nan 0.000 0.434 854 G N 0.117 109.014 108.800 0.161 0.000 3.439 854 G HA2 0.368 4.328 3.960 -0.000 0.000 0.684 854 G HA3 0.368 4.328 3.960 -0.000 0.000 0.684 854 G C 0.981 175.996 174.900 0.193 0.000 1.005 854 G CA 0.816 45.993 45.100 0.127 0.000 0.837 854 G HN 1.820 nan 8.290 nan 0.000 0.470 855 A N 2.457 125.305 122.820 0.047 0.000 2.024 855 A HA -0.109 4.211 4.320 -0.000 0.000 0.220 855 A C 2.425 180.090 177.584 0.136 0.000 1.164 855 A CA 2.268 54.319 52.037 0.025 0.000 0.643 855 A CB -0.169 18.772 19.000 -0.098 0.000 0.806 855 A HN 1.547 nan 8.150 nan 0.000 0.451 856 Q N 0.293 120.147 119.800 0.089 0.000 2.364 856 Q HA -0.154 4.186 4.340 -0.000 0.000 0.209 856 Q C 0.580 176.625 176.000 0.075 0.000 0.977 856 Q CA 1.889 57.729 55.803 0.061 0.000 0.885 856 Q CB -0.857 27.899 28.738 0.030 0.000 0.941 856 Q HN 0.800 nan 8.270 nan 0.000 0.464 857 N N -0.813 117.967 118.700 0.133 0.000 2.322 857 N HA 0.138 4.878 4.740 -0.000 0.000 0.194 857 N C -0.809 174.587 175.510 -0.190 0.000 1.126 857 N CA -0.102 52.932 53.050 -0.027 0.000 0.845 857 N CB 0.283 38.719 38.487 -0.085 0.000 0.976 857 N HN 0.192 nan 8.380 nan 0.000 0.475 858 Y N 0.551 120.838 120.300 -0.021 0.000 2.598 858 Y HA 0.354 4.904 4.550 -0.000 0.000 0.340 858 Y C -0.010 175.865 175.900 -0.042 0.000 1.038 858 Y CA -1.310 56.776 58.100 -0.023 0.000 1.100 858 Y CB 1.373 39.823 38.460 -0.017 0.000 1.281 858 Y HN -0.048 nan 8.280 nan 0.000 0.488 859 E N 0.072 120.332 120.200 0.099 0.000 2.369 859 E HA 0.650 5.000 4.350 -0.000 0.000 0.270 859 E C -1.892 174.695 176.600 -0.022 0.000 0.909 859 E CA -1.190 55.216 56.400 0.010 0.000 0.775 859 E CB 2.682 32.372 29.700 -0.016 0.000 1.270 859 E HN 0.401 nan 8.360 nan 0.000 0.445 860 V N 0.672 120.511 119.914 -0.124 0.000 2.581 860 V HA 0.618 4.738 4.120 -0.000 0.000 0.303 860 V C -1.302 174.715 176.094 -0.128 0.000 1.041 860 V CA -0.417 61.763 62.300 -0.200 0.000 0.907 860 V CB 1.378 32.858 31.823 -0.573 0.000 0.994 860 V HN 0.734 nan 8.190 nan 0.000 0.442 861 K N 3.945 124.315 120.400 -0.050 0.000 2.435 861 K HA 0.461 4.781 4.320 -0.000 0.000 0.251 861 K C -1.193 175.429 176.600 0.037 0.000 0.954 861 K CA -0.843 55.441 56.287 -0.005 0.000 0.820 861 K CB 1.808 34.304 32.500 -0.006 0.000 1.292 861 K HN 0.713 nan 8.250 nan 0.000 0.436 862 N N 1.476 120.190 118.700 0.024 0.000 2.699 862 N HA 0.232 4.972 4.740 -0.000 0.000 0.232 862 N C 0.329 175.805 175.510 -0.056 0.000 1.027 862 N CA 0.947 53.959 53.050 -0.062 0.000 0.920 862 N CB 0.363 38.839 38.487 -0.019 0.000 1.148 862 N HN 0.847 nan 8.380 nan 0.000 0.509 863 G N 3.742 112.505 108.800 -0.061 0.000 2.565 863 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.295 863 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.295 863 G C 0.394 175.282 174.900 -0.019 0.000 1.165 863 G CA 0.506 45.584 45.100 -0.037 0.000 0.977 863 G HN 0.536 nan 8.290 nan 0.000 0.546 864 D N 1.360 121.752 120.400 -0.014 0.000 2.354 864 D HA 0.193 4.833 4.640 -0.000 0.000 0.209 864 D C 1.194 177.491 176.300 -0.005 0.000 1.015 864 D CA 1.159 55.154 54.000 -0.008 0.000 0.867 864 D CB -0.010 40.785 40.800 -0.007 0.000 0.933 864 D HN 0.404 nan 8.370 nan 0.000 0.520 865 T N 1.163 115.716 114.554 -0.003 0.000 2.832 865 T HA 0.471 4.821 4.350 -0.000 0.000 0.296 865 T C 0.330 175.033 174.700 0.006 0.000 0.968 865 T CA -0.579 61.524 62.100 0.005 0.000 1.107 865 T CB 1.729 70.605 68.868 0.013 0.000 0.916 865 T HN 0.004 nan 8.240 nan 0.000 0.517 866 A N 3.267 126.088 122.820 0.002 0.000 2.440 866 A HA 0.496 4.816 4.320 -0.000 0.000 0.251 866 A C 0.185 177.768 177.584 -0.001 0.000 1.089 866 A CA -0.482 51.551 52.037 -0.007 0.000 0.779 866 A CB 0.151 19.145 19.000 -0.010 0.000 1.022 866 A HN 0.697 nan 8.150 nan 0.000 0.492 867 V N 3.175 123.072 119.914 -0.029 0.000 2.472 867 V HA 0.146 4.266 4.120 -0.000 0.000 0.290 867 V C 0.159 176.221 176.094 -0.053 0.000 1.037 867 V CA -0.816 61.464 62.300 -0.034 0.000 0.908 867 V CB 1.550 33.318 31.823 -0.092 0.000 0.985 867 V HN 0.864 nan 8.190 nan 0.000 0.454 868 N N 4.057 122.755 118.700 -0.003 0.000 2.819 868 N HA 0.275 5.015 4.740 -0.000 0.000 0.284 868 N C -0.013 175.510 175.510 0.023 0.000 1.196 868 N CA 0.091 53.148 53.050 0.011 0.000 1.114 868 N CB 0.568 39.077 38.487 0.036 0.000 1.437 868 N HN 0.797 nan 8.380 nan 0.000 0.518 869 A N 1.880 124.688 122.820 -0.019 0.000 2.276 869 A HA 0.399 4.719 4.320 -0.000 0.000 0.316 869 A C 0.465 178.066 177.584 0.029 0.000 1.229 869 A CA -0.811 51.240 52.037 0.023 0.000 0.851 869 A CB 0.630 19.572 19.000 -0.096 0.000 1.165 869 A HN 0.511 nan 8.150 nan 0.000 0.513 870 K N 1.243 121.673 120.400 0.050 0.000 2.087 870 K HA 0.691 5.011 4.320 -0.000 0.000 0.255 870 K C -1.115 175.477 176.600 -0.014 0.000 0.988 870 K CA -0.636 55.662 56.287 0.019 0.000 0.915 870 K CB 1.503 34.019 32.500 0.027 0.000 1.043 870 K HN 0.217 nan 8.250 nan 0.000 0.457 871 V N 2.697 122.595 119.914 -0.027 0.000 2.398 871 V HA 0.335 4.455 4.120 -0.000 0.000 0.286 871 V C -0.248 175.807 176.094 -0.066 0.000 1.026 871 V CA -0.777 61.487 62.300 -0.061 0.000 0.868 871 V CB 1.131 32.934 31.823 -0.033 0.000 0.982 871 V HN 0.709 nan 8.190 nan 0.000 0.443 872 V N 2.143 121.972 119.914 -0.140 0.000 2.815 872 V HA 0.906 5.026 4.120 -0.000 0.000 0.314 872 V C -0.274 175.809 176.094 -0.018 0.000 1.064 872 V CA -0.306 61.951 62.300 -0.072 0.000 0.952 872 V CB 2.234 34.006 31.823 -0.084 0.000 1.020 872 V HN 0.766 nan 8.190 nan 0.000 0.439 873 T N 3.253 117.886 114.554 0.132 0.000 2.900 873 T HA 0.542 4.892 4.350 -0.000 0.000 0.295 873 T C -0.527 174.298 174.700 0.208 0.000 1.044 873 T CA -0.567 61.650 62.100 0.196 0.000 0.995 873 T CB 1.620 70.540 68.868 0.086 0.000 1.072 873 T HN 1.158 nan 8.240 nan 0.000 0.473 874 N N 0.835 119.606 118.700 0.118 0.000 2.491 874 N HA 0.576 5.316 4.740 -0.000 0.000 0.279 874 N C 1.338 176.799 175.510 -0.083 0.000 1.236 874 N CA -0.542 52.414 53.050 -0.157 0.000 0.982 874 N CB 0.131 38.263 38.487 -0.592 0.000 1.194 874 N HN 0.531 nan 8.380 nan 0.000 0.582 875 A N -0.582 122.173 122.820 -0.108 0.000 1.972 875 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 875 A C 1.582 179.132 177.584 -0.055 0.000 1.169 875 A CA 1.934 53.931 52.037 -0.066 0.000 0.635 875 A CB -1.188 17.771 19.000 -0.069 0.000 0.810 875 A HN 0.862 nan 8.150 nan 0.000 0.446 876 D N -1.533 118.822 120.400 -0.074 0.000 2.351 876 D HA 0.109 4.749 4.640 -0.000 0.000 0.216 876 D C 1.319 177.608 176.300 -0.018 0.000 0.968 876 D CA 1.635 55.606 54.000 -0.048 0.000 0.899 876 D CB -0.217 40.546 40.800 -0.062 0.000 0.907 876 D HN 0.622 nan 8.370 nan 0.000 0.514 877 G N -1.146 107.650 108.800 -0.008 0.000 2.157 877 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.248 877 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.248 877 G C 0.395 175.323 174.900 0.047 0.000 0.979 877 G CA 0.275 45.386 45.100 0.019 0.000 0.650 877 G HN 0.680 nan 8.290 nan 0.000 0.529 878 A N -0.125 122.738 122.820 0.072 0.000 2.340 878 A HA 0.801 5.121 4.320 -0.000 0.000 0.268 878 A C 0.567 178.282 177.584 0.218 0.000 1.100 878 A CA 0.822 52.941 52.037 0.137 0.000 0.803 878 A CB 0.846 19.959 19.000 0.187 0.000 1.043 878 A HN 0.972 nan 8.150 nan 0.000 0.488 879 S N 0.483 116.224 115.700 0.069 0.000 2.532 879 S HA 0.710 5.180 4.470 -0.000 0.000 0.301 879 S C -0.647 173.742 174.600 -0.352 0.000 1.083 879 S CA -0.440 57.714 58.200 -0.076 0.000 1.025 879 S CB 1.042 64.213 63.200 -0.049 0.000 1.056 879 S HN 0.557 nan 8.310 nan 0.000 0.494 880 L N 2.270 123.132 121.223 -0.601 0.000 2.342 880 L HA 0.573 4.913 4.340 -0.000 0.000 0.271 880 L C -1.007 175.635 176.870 -0.380 0.000 1.008 880 L CA -0.848 53.597 54.840 -0.658 0.000 0.818 880 L CB 1.336 42.719 42.059 -1.126 0.000 1.296 880 L HN 0.395 nan 8.230 nan 0.000 0.427 881 L N 3.019 124.103 121.223 -0.231 0.000 2.265 881 L HA 0.435 4.774 4.340 -0.000 0.000 0.288 881 L C -0.619 176.227 176.870 -0.040 0.000 1.058 881 L CA -0.510 54.297 54.840 -0.055 0.000 0.809 881 L CB 1.557 43.660 42.059 0.074 0.000 1.179 881 L HN 0.271 nan 8.230 nan 0.000 0.429 882 V N 5.000 124.913 119.914 -0.003 0.000 2.409 882 V HA 0.565 4.685 4.120 -0.000 0.000 0.291 882 V C -0.496 175.679 176.094 0.136 0.000 1.020 882 V CA -0.539 61.720 62.300 -0.068 0.000 0.848 882 V CB 1.184 32.945 31.823 -0.103 0.000 0.990 882 V HN 0.583 nan 8.190 nan 0.000 0.430 883 F N 0.878 120.759 119.950 -0.115 0.000 2.654 883 F HA 0.687 5.214 4.527 -0.000 0.000 0.308 883 F C -0.613 175.122 175.800 -0.108 0.000 1.108 883 F CA -1.250 56.684 58.000 -0.110 0.000 0.957 883 F CB 1.060 39.969 39.000 -0.152 0.000 1.309 883 F HN 0.297 nan 8.300 nan 0.000 0.446 884 D N 1.446 121.888 120.400 0.071 0.000 2.382 884 D HA 0.432 5.072 4.640 -0.000 0.000 0.240 884 D C 0.192 176.496 176.300 0.007 0.000 1.146 884 D CA 0.478 54.490 54.000 0.021 0.000 0.897 884 D CB 1.605 42.446 40.800 0.068 0.000 1.197 884 D HN 0.850 nan 8.370 nan 0.000 0.432 885 T N -2.430 112.131 114.554 0.011 0.000 2.887 885 T HA 0.674 5.024 4.350 -0.000 0.000 0.292 885 T C -0.373 174.446 174.700 0.199 0.000 1.087 885 T CA -0.799 61.354 62.100 0.089 0.000 1.009 885 T CB 1.673 70.580 68.868 0.065 0.000 1.203 885 T HN 0.115 nan 8.240 nan 0.000 0.518 886 T N 1.492 116.243 114.554 0.328 0.000 2.841 886 T HA 0.718 5.068 4.350 -0.000 0.000 0.283 886 T C 0.163 174.967 174.700 0.173 0.000 1.000 886 T CA -0.459 61.762 62.100 0.202 0.000 0.977 886 T CB 1.235 70.216 68.868 0.189 0.000 0.979 886 T HN 1.071 nan 8.240 nan 0.000 0.446 887 A N 1.553 124.426 122.820 0.089 0.000 2.548 887 A HA 0.507 4.827 4.320 -0.000 0.000 0.247 887 A C 1.539 179.156 177.584 0.054 0.000 1.067 887 A CA 0.651 52.718 52.037 0.050 0.000 0.757 887 A CB -0.922 18.086 19.000 0.014 0.000 0.996 887 A HN 1.683 nan 8.150 nan 0.000 0.504 888 G N 2.185 111.016 108.800 0.051 0.000 2.176 888 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.232 888 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.232 888 G C 0.361 175.275 174.900 0.023 0.000 0.986 888 G CA 0.369 45.490 45.100 0.034 0.000 0.643 888 G HN 1.184 nan 8.290 nan 0.000 0.522 889 T N 1.721 116.299 114.554 0.041 0.000 2.875 889 T HA 0.596 4.946 4.350 -0.000 0.000 0.284 889 T C 0.073 174.688 174.700 -0.142 0.000 0.995 889 T CA 0.321 62.363 62.100 -0.098 0.000 1.060 889 T CB 1.775 70.543 68.868 -0.166 0.000 0.967 889 T HN 0.180 nan 8.240 nan 0.000 0.476 890 T N 3.286 117.683 114.554 -0.262 0.000 2.771 890 T HA 0.464 4.814 4.350 -0.000 0.000 0.281 890 T C -0.952 173.527 174.700 -0.368 0.000 0.982 890 T CA -0.415 61.597 62.100 -0.146 0.000 0.978 890 T CB 0.230 69.082 68.868 -0.028 0.000 0.930 890 T HN 0.400 nan 8.240 nan 0.000 0.447 891 Y N 1.258 121.637 120.300 0.132 0.000 2.341 891 Y HA 0.435 4.985 4.550 -0.000 0.000 0.337 891 Y C 1.005 176.941 175.900 0.060 0.000 1.014 891 Y CA -0.944 57.212 58.100 0.094 0.000 1.111 891 Y CB 1.297 39.861 38.460 0.172 0.000 1.194 891 Y HN 0.463 nan 8.280 nan 0.000 0.462 892 T N 5.300 119.924 114.554 0.115 0.000 2.749 892 T HA 0.554 4.904 4.350 -0.000 0.000 0.287 892 T C -0.232 174.507 174.700 0.065 0.000 0.970 892 T CA -0.496 61.653 62.100 0.081 0.000 0.980 892 T CB 0.184 69.079 68.868 0.045 0.000 0.924 892 T HN 0.380 nan 8.240 nan 0.000 0.456 893 I N 4.000 124.619 120.570 0.081 0.000 2.378 893 I HA 0.486 4.656 4.170 -0.000 0.000 0.291 893 I C 0.520 176.744 176.117 0.178 0.000 0.992 893 I CA -0.662 60.691 61.300 0.088 0.000 1.154 893 I CB 1.627 39.655 38.000 0.045 0.000 1.315 893 I HN 0.674 nan 8.210 nan 0.000 0.448 894 T N 1.558 116.248 114.554 0.227 0.000 2.883 894 T HA 0.436 4.786 4.350 -0.000 0.000 0.296 894 T C -0.582 174.192 174.700 0.122 0.000 1.117 894 T CA -1.133 61.106 62.100 0.231 0.000 1.006 894 T CB 1.922 70.845 68.868 0.091 0.000 1.191 894 T HN 0.408 nan 8.240 nan 0.000 0.508 895 K N 1.294 121.609 120.400 -0.143 0.000 2.401 895 K HA 0.230 4.550 4.320 -0.000 0.000 0.278 895 K C 0.410 176.868 176.600 -0.237 0.000 1.018 895 K CA -0.276 55.700 56.287 -0.518 0.000 0.981 895 K CB 0.448 32.646 32.500 -0.503 0.000 0.933 895 K HN 0.478 nan 8.250 nan 0.000 0.477 896 K N 0.000 120.263 120.400 -0.229 0.000 2.780 896 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 896 K CA 0.000 56.215 56.287 -0.120 0.000 0.838 896 K CB 0.000 32.444 32.500 -0.093 0.000 1.064 896 K HN 0.000 nan 8.250 nan 0.000 0.543