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 3k71_1_A DATA FIRST_RESID 1 DATA SEQUENCE FNLDTEELTA FRVDSAGFGD SVVQYANSWV VVGAPQKITA ANQTGGLYQc DATA SEQUENCE GYSTGAcEPI GLQVPPEAVN MSLGLSLAST TSPSQLLAcG PTVHHEcGRN DATA SEQUENCE MYLTGLcFLL GPTQLTQRLP VSRQEcPXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXEL EMAQEGFSAV FTPDGPVLGA DATA SEQUENCE VGSFTWSGGA FLYPPNMSPT FINMSQENVD MRDSYLGYST ELALWKGVQS DATA SEQUENCE LVLGAPRYQH TGKAVIFTQV SRQWRMKAEV TGTQIGSYFG ASLCSVDVDS DATA SEQUENCE DGSTDLVLIG APHYYEQTRG GQVSVcPLPR GWRRWWcDAV LYGEQGHPWG DATA SEQUENCE RFGAALTVLG DVNGDKLTDV VIGAPGEEEN RGAVYLFHGV LGPSISPSHS DATA SEQUENCE QRIAGSQLSS RLQYFGQALS GGQDLTQDGL VDLAVGARGQ VLLLRTRPVL DATA SEQUENCE WVGVSMQFIP AEIPRSAFEc REQVVSEQTL VQSNIcLYID KRSKNLLGSR DATA SEQUENCE DLQSSVTLDL ALDPGRLSPR ATFQETKNRS LSRVRVLGLK AHcENFNLLL DATA SEQUENCE PScVEDSVTP ITLRLNFTLV GKPLLAFRNL RPMLAADAQR YFTASLPFEK DATA SEQUENCE NcGADHIcQD NLGISFSFPG LKSLLVGSNL ELNAEVMVWN DGEDSYGTTI DATA SEQUENCE TFSHPAGLSY RYVAEGQKQG QLRSLHLTcD SAPVGSQGTW STScRINHLI DATA SEQUENCE FRGGAQITFL ATFDVSPKAV LGDRLLLTAN VSSENNTPRT SKTTFQLELP DATA SEQUENCE VKYAVYTVVS SHEQFTKYLN FSESEEKESH VAMHRYQVNN LGQRDLPVSI DATA SEQUENCE NFWVPVELNQ EAVWMDVEVS HPQNPSLRcS SEKIAPPASD FLAHIQKNPV DATA SEQUENCE LDcSIAGcLR FRcDVPSFSV QEELDFTLKG NLSFGWVRQI LQKKVSVVSV DATA SEQUENCE AEITFDTSVY SQLPGQEAFM RAQTTTVLEK Y 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 1 F HA 0.000 nan 4.527 nan 0.000 0.279 1 F C 0.000 175.852 175.800 0.087 0.000 0.967 1 F CA 0.000 58.072 58.000 0.121 0.000 1.383 1 F CB 0.000 39.055 39.000 0.092 0.000 1.145 2 N N 1.972 120.638 118.700 -0.057 0.000 2.642 2 N HA 0.337 5.111 4.740 0.056 0.000 0.308 2 N C -1.250 174.263 175.510 0.005 0.000 1.914 2 N CA -0.105 52.948 53.050 0.006 0.000 0.893 2 N CB 0.854 39.306 38.487 -0.058 0.000 1.322 2 N HN 0.412 nan 8.380 nan 0.000 0.490 3 L N 0.799 122.043 121.223 0.035 0.000 2.276 3 L HA 0.269 4.642 4.340 0.056 0.000 0.286 3 L C 0.105 177.000 176.870 0.042 0.000 1.024 3 L CA -0.886 53.975 54.840 0.035 0.000 0.826 3 L CB 1.207 43.293 42.059 0.045 0.000 1.211 3 L HN 0.094 nan 8.230 nan 0.000 0.422 4 D N 1.927 122.348 120.400 0.035 0.000 2.533 4 D HA -0.018 4.655 4.640 0.056 0.000 0.236 4 D C 0.099 176.415 176.300 0.027 0.000 1.137 4 D CA 0.580 54.599 54.000 0.032 0.000 0.867 4 D CB 0.884 41.700 40.800 0.028 0.000 1.170 4 D HN 0.478 nan 8.370 nan 0.000 0.474 5 T N 4.267 118.833 114.554 0.020 0.000 3.448 5 T HA 0.228 4.611 4.350 0.056 0.000 0.271 5 T C 0.142 174.840 174.700 -0.003 0.000 1.002 5 T CA -0.580 61.523 62.100 0.005 0.000 0.995 5 T CB 0.289 69.160 68.868 0.005 0.000 1.153 5 T HN 0.373 nan 8.240 nan 0.000 0.510 6 E N 0.806 121.006 120.200 -0.000 0.000 3.706 6 E HA 0.092 4.475 4.350 0.056 0.000 0.266 6 E C -0.139 176.455 176.600 -0.010 0.000 1.251 6 E CA 0.039 56.436 56.400 -0.006 0.000 1.870 6 E CB 0.163 29.865 29.700 0.004 0.000 1.842 6 E HN 0.138 nan 8.360 nan 0.000 0.862 7 E N 2.385 122.587 120.200 0.003 0.000 2.069 7 E HA 0.298 4.682 4.350 0.056 0.000 0.254 7 E C -0.045 176.564 176.600 0.014 0.000 1.088 7 E CA -0.119 56.282 56.400 0.002 0.000 1.017 7 E CB -0.005 29.705 29.700 0.016 0.000 1.226 7 E HN 0.112 nan 8.360 nan 0.000 0.458 8 L N -1.298 119.924 121.223 -0.002 0.000 2.256 8 L HA 0.707 5.081 4.340 0.056 0.000 0.261 8 L C 0.298 177.151 176.870 -0.029 0.000 1.022 8 L CA -1.022 53.822 54.840 0.007 0.000 0.828 8 L CB 0.751 42.811 42.059 0.003 0.000 1.374 8 L HN -0.021 nan 8.230 nan 0.000 0.436 9 T N -1.899 112.631 114.554 -0.041 0.000 2.902 9 T HA 0.904 5.288 4.350 0.056 0.000 0.283 9 T C -0.289 174.252 174.700 -0.265 0.000 1.009 9 T CA -0.145 61.845 62.100 -0.182 0.000 1.051 9 T CB 1.487 70.240 68.868 -0.193 0.000 0.999 9 T HN 1.152 nan 8.240 nan 0.000 0.474 10 A N 2.091 124.676 122.820 -0.392 0.000 2.375 10 A HA 0.679 5.032 4.320 0.056 0.000 0.295 10 A C -1.251 176.117 177.584 -0.360 0.000 1.066 10 A CA -0.851 51.017 52.037 -0.281 0.000 0.722 10 A CB 0.687 19.608 19.000 -0.132 0.000 1.206 10 A HN 0.707 nan 8.150 nan 0.000 0.435 11 F N 2.304 122.292 119.950 0.063 0.000 2.308 11 F HA 0.410 4.970 4.527 0.055 0.000 0.370 11 F C 1.238 177.057 175.800 0.031 0.000 1.100 11 F CA -0.524 57.506 58.000 0.050 0.000 1.108 11 F CB 1.429 40.506 39.000 0.128 0.000 1.293 11 F HN 0.648 nan 8.300 nan 0.000 0.478 12 R N 1.933 122.482 120.500 0.082 0.000 3.256 12 R HA 0.524 4.897 4.340 0.056 0.000 0.263 12 R C -1.488 174.672 176.300 -0.233 0.000 1.388 12 R CA -0.356 55.721 56.100 -0.039 0.000 1.580 12 R CB 0.037 30.316 30.300 -0.036 0.000 1.255 12 R HN 0.298 nan 8.270 nan 0.000 0.640 13 V N 2.351 121.917 119.914 -0.581 0.000 2.353 13 V HA 0.020 4.174 4.120 0.056 0.000 0.264 13 V C 0.128 175.713 176.094 -0.848 0.000 1.049 13 V CA -0.448 61.329 62.300 -0.872 0.000 0.896 13 V CB 0.896 31.886 31.823 -1.389 0.000 1.025 13 V HN 0.518 nan 8.190 nan 0.000 0.475 14 D N 3.902 124.063 120.400 -0.399 0.000 2.416 14 D HA 0.141 4.814 4.640 0.056 0.000 0.240 14 D C 0.261 176.483 176.300 -0.130 0.000 1.250 14 D CA 0.309 54.188 54.000 -0.203 0.000 0.967 14 D CB 0.505 41.239 40.800 -0.110 0.000 1.059 14 D HN 0.478 nan 8.370 nan 0.000 0.512 15 S N 2.218 117.891 115.700 -0.044 0.000 2.327 15 S HA 0.577 5.080 4.470 0.056 0.000 0.203 15 S C 0.554 175.259 174.600 0.176 0.000 1.326 15 S CA -0.026 58.237 58.200 0.105 0.000 1.248 15 S CB 0.539 63.889 63.200 0.249 0.000 1.199 15 S HN 0.706 nan 8.310 nan 0.000 0.422 16 A N 1.596 124.488 122.820 0.120 0.000 5.022 16 A HA -0.207 4.146 4.320 0.056 0.000 0.312 16 A C 1.498 179.175 177.584 0.154 0.000 1.965 16 A CA 0.867 52.975 52.037 0.118 0.000 0.712 16 A CB -1.796 17.266 19.000 0.104 0.000 1.305 16 A HN 1.237 nan 8.150 nan 0.000 0.364 17 G N -1.083 107.810 108.800 0.155 0.000 3.332 17 G HA2 0.428 4.422 3.960 0.056 0.000 0.242 17 G HA3 0.428 4.422 3.960 0.056 0.000 0.242 17 G C 0.202 175.206 174.900 0.173 0.000 1.276 17 G CA 0.728 45.916 45.100 0.147 0.000 0.988 17 G HN 1.080 nan 8.290 nan 0.000 0.517 18 F N 1.098 121.097 119.950 0.081 0.000 2.539 18 F HA 0.398 4.958 4.527 0.055 0.000 0.340 18 F C 1.344 177.193 175.800 0.082 0.000 1.185 18 F CA 0.825 58.881 58.000 0.093 0.000 1.333 18 F CB 0.875 39.926 39.000 0.086 0.000 1.152 18 F HN 0.252 nan 8.300 nan 0.000 0.602 19 G N 3.880 112.217 108.800 -0.771 0.000 2.356 19 G HA2 -0.341 3.653 3.960 0.056 0.000 0.296 19 G HA3 -0.341 3.653 3.960 0.056 0.000 0.296 19 G C 0.368 175.216 174.900 -0.087 0.000 1.022 19 G CA 0.694 45.572 45.100 -0.371 0.000 0.961 19 G HN 0.868 nan 8.290 nan 0.000 0.510 20 D N -0.969 119.375 120.400 -0.094 0.000 2.454 20 D HA 0.288 4.961 4.640 0.056 0.000 0.214 20 D C 0.712 176.990 176.300 -0.038 0.000 1.088 20 D CA 1.095 55.092 54.000 -0.006 0.000 0.855 20 D CB 0.569 41.386 40.800 0.029 0.000 1.025 20 D HN 0.387 nan 8.370 nan 0.000 0.502 21 S N -0.120 115.529 115.700 -0.084 0.000 2.592 21 S HA 0.570 5.073 4.470 0.056 0.000 0.275 21 S C -1.808 172.740 174.600 -0.087 0.000 1.169 21 S CA -0.595 57.559 58.200 -0.077 0.000 0.958 21 S CB 1.208 64.358 63.200 -0.083 0.000 1.095 21 S HN -0.080 nan 8.310 nan 0.000 0.471 22 V N 4.889 124.770 119.914 -0.055 0.000 3.078 22 V HA 0.998 5.151 4.120 0.056 0.000 0.311 22 V C -1.243 174.853 176.094 0.004 0.000 1.138 22 V CA -0.248 62.032 62.300 -0.034 0.000 1.007 22 V CB 2.032 33.843 31.823 -0.020 0.000 1.045 22 V HN 0.951 nan 8.190 nan 0.000 0.432 23 V N 4.033 123.966 119.914 0.032 0.000 3.178 23 V HA 0.543 4.696 4.120 0.056 0.000 0.302 23 V C -1.275 174.878 176.094 0.099 0.000 1.262 23 V CA -0.599 61.737 62.300 0.060 0.000 1.030 23 V CB 2.634 34.499 31.823 0.070 0.000 1.074 23 V HN 0.936 nan 8.190 nan 0.000 0.438 24 Q N 3.703 123.562 119.800 0.098 0.000 2.369 24 Q HA 0.206 4.580 4.340 0.056 0.000 0.247 24 Q C -0.745 175.352 176.000 0.162 0.000 1.083 24 Q CA 0.008 55.882 55.803 0.119 0.000 0.905 24 Q CB 0.857 29.638 28.738 0.071 0.000 1.305 24 Q HN 0.693 nan 8.270 nan 0.000 0.465 25 Y N 2.100 122.438 120.300 0.064 0.000 2.183 25 Y HA 0.165 4.749 4.550 0.057 0.000 0.380 25 Y C 0.456 176.389 175.900 0.056 0.000 1.308 25 Y CA -0.636 57.498 58.100 0.057 0.000 1.813 25 Y CB 0.255 38.776 38.460 0.102 0.000 1.584 25 Y HN 0.672 nan 8.280 nan 0.000 0.665 26 A N 2.619 124.955 122.820 -0.807 0.000 2.622 26 A HA -0.170 4.184 4.320 0.056 0.000 0.235 26 A C 1.270 178.768 177.584 -0.143 0.000 1.013 26 A CA 0.455 52.158 52.037 -0.558 0.000 0.765 26 A CB -0.364 18.150 19.000 -0.810 0.000 0.921 26 A HN 0.879 nan 8.150 nan 0.000 0.506 27 N N 1.477 120.133 118.700 -0.074 0.000 2.182 27 N HA -0.154 4.619 4.740 0.056 0.000 0.192 27 N C 1.726 177.262 175.510 0.043 0.000 1.007 27 N CA 1.917 54.963 53.050 -0.006 0.000 0.873 27 N CB -0.323 38.151 38.487 -0.022 0.000 0.998 27 N HN 0.657 nan 8.380 nan 0.000 0.436 28 S N -1.047 114.710 115.700 0.095 0.000 2.453 28 S HA -0.011 4.492 4.470 0.056 0.000 0.231 28 S C 0.043 174.595 174.600 -0.080 0.000 1.005 28 S CA 0.619 58.849 58.200 0.049 0.000 0.949 28 S CB 0.109 63.419 63.200 0.183 0.000 0.774 28 S HN 0.374 nan 8.310 nan 0.000 0.510 29 W N -1.082 120.303 121.300 0.142 0.000 3.029 29 W HA 0.679 5.372 4.660 0.055 0.000 0.339 29 W C -1.004 175.634 176.519 0.198 0.000 1.198 29 W CA -0.710 56.752 57.345 0.196 0.000 1.148 29 W CB 1.049 30.681 29.460 0.286 0.000 1.451 29 W HN -0.305 nan 8.180 nan 0.000 0.564 30 V N 2.458 122.612 119.914 0.399 0.000 2.588 30 V HA 0.731 4.885 4.120 0.056 0.000 0.304 30 V C -1.556 174.648 176.094 0.184 0.000 1.042 30 V CA -0.948 61.510 62.300 0.263 0.000 0.877 30 V CB 1.745 33.694 31.823 0.208 0.000 0.996 30 V HN 0.342 nan 8.190 nan 0.000 0.425 31 V N 7.350 127.333 119.914 0.115 0.000 2.398 31 V HA 0.569 4.723 4.120 0.056 0.000 0.286 31 V C 0.083 176.170 176.094 -0.011 0.000 1.026 31 V CA -0.156 62.154 62.300 0.017 0.000 0.868 31 V CB 1.754 33.536 31.823 -0.069 0.000 0.982 31 V HN 0.886 nan 8.190 nan 0.000 0.443 32 V N 2.434 122.319 119.914 -0.048 0.000 3.093 32 V HA 1.051 5.205 4.120 0.056 0.000 0.320 32 V C 0.321 176.310 176.094 -0.175 0.000 1.093 32 V CA -0.552 61.642 62.300 -0.176 0.000 1.016 32 V CB 1.770 33.339 31.823 -0.423 0.000 1.096 32 V HN 0.888 nan 8.190 nan 0.000 0.452 33 G N -0.008 108.653 108.800 -0.232 0.000 2.513 33 G HA2 0.752 4.745 3.960 0.056 0.000 0.317 33 G HA3 0.752 4.745 3.960 0.056 0.000 0.317 33 G C -0.580 174.246 174.900 -0.122 0.000 1.277 33 G CA -0.387 44.630 45.100 -0.138 0.000 0.955 33 G HN 1.636 nan 8.290 nan 0.000 0.484 34 A N 3.703 126.515 122.820 -0.013 0.000 3.030 34 A HA 0.676 5.030 4.320 0.056 0.000 0.335 34 A C -1.767 175.849 177.584 0.055 0.000 1.089 34 A CA -1.183 50.901 52.037 0.079 0.000 0.807 34 A CB 1.403 20.552 19.000 0.248 0.000 1.099 34 A HN 0.368 nan 8.150 nan 0.000 0.474 35 P HA -0.167 nan 4.420 nan 0.000 0.216 35 P C 0.713 178.044 177.300 0.051 0.000 1.150 35 P CA 1.409 64.530 63.100 0.035 0.000 0.843 35 P CB 0.262 31.980 31.700 0.030 0.000 0.787 36 Q N -0.835 119.005 119.800 0.067 0.000 2.242 36 Q HA 0.109 4.482 4.340 0.056 0.000 0.246 36 Q C 0.317 176.361 176.000 0.074 0.000 0.883 36 Q CA 0.128 55.972 55.803 0.068 0.000 0.984 36 Q CB -0.410 28.372 28.738 0.073 0.000 1.096 36 Q HN 0.141 nan 8.270 nan 0.000 0.452 37 K N 1.560 122.004 120.400 0.074 0.000 2.222 37 K HA 0.176 4.529 4.320 0.056 0.000 0.243 37 K C -0.638 175.988 176.600 0.043 0.000 1.160 37 K CA -0.262 56.071 56.287 0.077 0.000 1.090 37 K CB -0.182 32.377 32.500 0.098 0.000 1.694 37 K HN 0.267 nan 8.250 nan 0.000 0.361 38 I N 3.365 123.959 120.570 0.039 0.000 2.996 38 I HA -0.179 4.024 4.170 0.056 0.000 0.310 38 I C 0.405 176.530 176.117 0.013 0.000 1.225 38 I CA 1.050 62.365 61.300 0.024 0.000 1.442 38 I CB 0.007 38.020 38.000 0.022 0.000 1.334 38 I HN 0.567 nan 8.210 nan 0.000 0.550 39 T N 3.472 118.029 114.554 0.005 0.000 2.991 39 T HA 0.713 5.096 4.350 0.056 0.000 0.303 39 T C -0.048 174.650 174.700 -0.005 0.000 1.015 39 T CA -0.130 61.967 62.100 -0.005 0.000 1.007 39 T CB 1.870 70.727 68.868 -0.019 0.000 1.034 39 T HN 1.260 nan 8.240 nan 0.000 0.446 40 A N 2.289 125.105 122.820 -0.006 0.000 5.699 40 A HA 0.250 4.604 4.320 0.056 0.000 0.280 40 A C 0.755 178.336 177.584 -0.005 0.000 2.071 40 A CA 0.153 52.187 52.037 -0.006 0.000 0.714 40 A CB -1.692 17.305 19.000 -0.006 0.000 1.162 40 A HN 2.577 nan 8.150 nan 0.000 0.363 41 A N 0.180 122.996 122.820 -0.006 0.000 2.391 41 A HA 0.518 4.871 4.320 0.056 0.000 0.316 41 A C 0.609 178.182 177.584 -0.017 0.000 1.381 41 A CA 0.485 52.515 52.037 -0.011 0.000 0.998 41 A CB -0.781 18.212 19.000 -0.012 0.000 1.147 41 A HN 1.676 nan 8.150 nan 0.000 0.545 42 N N 1.319 120.006 118.700 -0.021 0.000 2.700 42 N HA -0.202 4.572 4.740 0.056 0.000 0.265 42 N C 0.318 175.813 175.510 -0.025 0.000 0.975 42 N CA 1.568 54.598 53.050 -0.032 0.000 0.800 42 N CB -0.559 37.890 38.487 -0.064 0.000 0.908 42 N HN 0.945 nan 8.380 nan 0.000 0.551 43 Q N -0.793 119.007 119.800 -0.000 0.000 3.078 43 Q HA 0.309 4.683 4.340 0.056 0.000 0.202 43 Q C 0.996 177.017 176.000 0.035 0.000 1.165 43 Q CA -0.083 55.732 55.803 0.020 0.000 0.377 43 Q CB 0.455 29.203 28.738 0.016 0.000 5.614 43 Q HN 0.425 nan 8.270 nan 0.000 0.305 44 T N -2.511 112.062 114.554 0.032 0.000 2.801 44 T HA 0.442 4.826 4.350 0.056 0.000 0.324 44 T C 0.793 175.503 174.700 0.017 0.000 1.088 44 T CA -0.032 62.088 62.100 0.033 0.000 0.975 44 T CB 0.496 69.374 68.868 0.016 0.000 1.316 44 T HN 0.640 nan 8.240 nan 0.000 0.533 45 G N -1.107 107.696 108.800 0.004 0.000 2.478 45 G HA2 0.623 4.616 3.960 0.056 0.000 0.211 45 G HA3 0.623 4.616 3.960 0.056 0.000 0.211 45 G C 0.518 175.392 174.900 -0.044 0.000 1.726 45 G CA -0.029 45.071 45.100 0.001 0.000 0.725 45 G HN 1.631 nan 8.290 nan 0.000 0.654 46 G N -1.277 107.473 108.800 -0.084 0.000 2.321 46 G HA2 0.363 4.357 3.960 0.056 0.000 0.339 46 G HA3 0.363 4.357 3.960 0.056 0.000 0.339 46 G C -1.455 173.311 174.900 -0.223 0.000 1.518 46 G CA -0.761 44.226 45.100 -0.188 0.000 0.994 46 G HN 0.550 nan 8.290 nan 0.000 0.668 47 L N -0.330 120.694 121.223 -0.332 0.000 2.303 47 L HA 0.805 5.178 4.340 0.056 0.000 0.266 47 L C -0.990 175.626 176.870 -0.424 0.000 1.011 47 L CA -1.179 53.495 54.840 -0.277 0.000 0.818 47 L CB 2.194 44.120 42.059 -0.220 0.000 1.326 47 L HN 0.579 nan 8.230 nan 0.000 0.435 48 Y N 0.200 120.485 120.300 -0.025 0.000 2.386 48 Y HA 0.281 4.864 4.550 0.055 0.000 0.334 48 Y C -0.454 175.431 175.900 -0.025 0.000 1.002 48 Y CA -0.907 57.203 58.100 0.016 0.000 1.068 48 Y CB 2.058 40.628 38.460 0.184 0.000 1.203 48 Y HN 0.458 nan 8.280 nan 0.000 0.443 49 Q N 2.001 121.876 119.800 0.126 0.000 2.241 49 Q HA 0.785 5.159 4.340 0.056 0.000 0.254 49 Q C -1.274 174.890 176.000 0.274 0.000 0.917 49 Q CA -0.568 55.309 55.803 0.123 0.000 0.919 49 Q CB 1.556 30.215 28.738 -0.132 0.000 1.237 49 Q HN 0.619 nan 8.270 nan 0.000 0.434 50 c N 2.476 121.239 118.600 0.271 0.000 2.482 50 c HA 0.855 5.459 4.570 0.056 0.000 0.317 50 c C 0.394 174.464 174.090 -0.034 0.000 1.197 50 c CA -0.542 55.724 56.329 -0.104 0.000 1.432 50 c CB 1.125 43.080 42.510 -0.924 0.000 2.062 50 c HN 1.012 nan 8.230 nan 0.000 0.471 51 G N 0.206 108.867 108.800 -0.232 0.000 2.441 51 G HA2 0.470 4.463 3.960 0.056 0.000 0.334 51 G HA3 0.470 4.463 3.960 0.056 0.000 0.334 51 G C -0.190 174.721 174.900 0.019 0.000 1.161 51 G CA -0.171 44.655 45.100 -0.456 0.000 0.935 51 G HN 0.795 nan 8.290 nan 0.000 0.488 52 Y N 1.108 121.352 120.300 -0.094 0.000 2.243 52 Y HA -0.060 4.523 4.550 0.055 0.000 0.293 52 Y C 2.887 178.778 175.900 -0.015 0.000 1.124 52 Y CA 2.142 60.255 58.100 0.021 0.000 1.159 52 Y CB -0.106 38.342 38.460 -0.020 0.000 1.008 52 Y HN 0.458 nan 8.280 nan 0.000 0.527 53 S N -0.305 115.344 115.700 -0.084 0.000 2.393 53 S HA -0.248 4.255 4.470 0.056 0.000 0.235 53 S C 0.890 175.369 174.600 -0.202 0.000 1.061 53 S CA 1.979 60.094 58.200 -0.141 0.000 1.129 53 S CB -1.184 61.970 63.200 -0.076 0.000 1.011 53 S HN 0.672 nan 8.310 nan 0.000 0.436 54 T N -0.616 113.867 114.554 -0.119 0.000 2.792 54 T HA 0.625 5.009 4.350 0.056 0.000 0.280 54 T C 0.048 174.761 174.700 0.023 0.000 0.990 54 T CA -0.478 61.578 62.100 -0.072 0.000 0.960 54 T CB 1.803 70.656 68.868 -0.025 0.000 0.939 54 T HN 0.216 nan 8.240 nan 0.000 0.439 55 G N 1.743 110.543 108.800 -0.000 0.000 2.852 55 G HA2 0.520 4.513 3.960 0.056 0.000 0.280 55 G HA3 0.520 4.513 3.960 0.056 0.000 0.280 55 G C 0.044 175.120 174.900 0.294 0.000 0.731 55 G CA -0.206 44.970 45.100 0.127 0.000 2.037 55 G HN 1.251 nan 8.290 nan 0.000 0.560 56 A N 0.781 123.852 122.820 0.419 0.000 2.594 56 A HA 0.592 4.945 4.320 0.056 0.000 0.296 56 A C -0.805 176.768 177.584 -0.018 0.000 1.061 56 A CA -0.582 51.560 52.037 0.175 0.000 0.689 56 A CB 0.993 20.039 19.000 0.076 0.000 1.280 56 A HN 0.568 nan 8.150 nan 0.000 0.406 57 c N 1.991 120.527 118.600 -0.107 0.000 2.281 57 c HA 0.687 5.290 4.570 0.056 0.000 0.325 57 c C -0.105 173.987 174.090 0.003 0.000 1.282 57 c CA -0.620 55.619 56.329 -0.149 0.000 1.640 57 c CB 0.465 42.806 42.510 -0.282 0.000 2.288 57 c HN 0.746 nan 8.230 nan 0.000 0.507 58 E N 3.520 123.805 120.200 0.143 0.000 2.197 58 E HA 0.334 4.718 4.350 0.056 0.000 0.281 58 E C -2.272 174.498 176.600 0.284 0.000 0.995 58 E CA -1.916 54.593 56.400 0.182 0.000 0.808 58 E CB 1.009 30.798 29.700 0.148 0.000 1.093 58 E HN 0.408 nan 8.360 nan 0.000 0.394 59 P HA 0.062 nan 4.420 nan 0.000 0.269 59 P C -0.175 177.078 177.300 -0.080 0.000 1.211 59 P CA 0.170 63.307 63.100 0.062 0.000 0.781 59 P CB 0.600 32.319 31.700 0.032 0.000 0.877 60 I N 0.684 121.125 120.570 -0.215 0.000 2.433 60 I HA 0.484 4.688 4.170 0.056 0.000 0.292 60 I C 0.375 176.364 176.117 -0.214 0.000 1.001 60 I CA -0.739 60.434 61.300 -0.212 0.000 1.119 60 I CB 1.314 39.162 38.000 -0.253 0.000 1.289 60 I HN 0.337 nan 8.210 nan 0.000 0.438 61 G N 7.887 116.581 108.800 -0.177 0.000 2.365 61 G HA2 0.441 4.435 3.960 0.056 0.000 0.249 61 G HA3 0.441 4.435 3.960 0.056 0.000 0.249 61 G C -0.927 173.856 174.900 -0.195 0.000 1.288 61 G CA -0.193 44.811 45.100 -0.160 0.000 0.887 61 G HN 0.569 nan 8.290 nan 0.000 0.524 62 L N 1.462 122.563 121.223 -0.203 0.000 2.482 62 L HA 0.268 4.641 4.340 0.056 0.000 0.263 62 L C -0.728 176.025 176.870 -0.195 0.000 0.957 62 L CA -0.890 53.791 54.840 -0.265 0.000 0.836 62 L CB 2.652 44.470 42.059 -0.402 0.000 1.324 62 L HN 0.412 nan 8.230 nan 0.000 0.406 63 Q N 2.191 121.894 119.800 -0.161 0.000 2.963 63 Q HA 0.253 4.627 4.340 0.056 0.000 0.262 63 Q C -0.601 175.375 176.000 -0.041 0.000 1.318 63 Q CA -0.192 55.565 55.803 -0.076 0.000 1.089 63 Q CB 0.643 29.363 28.738 -0.029 0.000 1.424 63 Q HN 0.311 nan 8.270 nan 0.000 0.560 64 V N 3.341 123.211 119.914 -0.074 0.000 2.409 64 V HA 0.083 4.237 4.120 0.056 0.000 0.270 64 V C -1.844 174.276 176.094 0.043 0.000 1.019 64 V CA -1.292 61.005 62.300 -0.004 0.000 1.066 64 V CB -0.329 31.470 31.823 -0.039 0.000 1.021 64 V HN 0.479 nan 8.190 nan 0.000 0.476 65 P HA 0.183 nan 4.420 nan 0.000 0.268 65 P C -1.993 175.333 177.300 0.044 0.000 1.205 65 P CA -1.349 61.785 63.100 0.056 0.000 0.771 65 P CB 0.161 31.896 31.700 0.058 0.000 0.858 66 P HA -0.195 nan 4.420 nan 0.000 0.218 66 P C 1.253 178.574 177.300 0.035 0.000 1.146 66 P CA 1.371 64.487 63.100 0.026 0.000 0.813 66 P CB 0.015 31.724 31.700 0.016 0.000 0.778 67 E N 0.230 120.450 120.200 0.033 0.000 2.049 67 E HA -0.122 4.261 4.350 0.056 0.000 0.198 67 E C 1.118 177.752 176.600 0.056 0.000 1.007 67 E CA 0.987 57.408 56.400 0.036 0.000 0.809 67 E CB -1.083 28.624 29.700 0.013 0.000 0.749 67 E HN 0.168 nan 8.360 nan 0.000 0.450 68 A N 2.226 125.081 122.820 0.058 0.000 2.444 68 A HA 0.339 4.692 4.320 0.056 0.000 0.273 68 A C 0.019 177.660 177.584 0.096 0.000 1.136 68 A CA -0.123 51.961 52.037 0.079 0.000 0.799 68 A CB 0.310 19.362 19.000 0.088 0.000 1.081 68 A HN -0.030 nan 8.150 nan 0.000 0.509 69 V N 2.868 122.858 119.914 0.127 0.000 2.864 69 V HA 0.339 4.493 4.120 0.056 0.000 0.314 69 V C 0.924 177.134 176.094 0.194 0.000 1.073 69 V CA -0.536 61.836 62.300 0.121 0.000 0.956 69 V CB 1.666 33.545 31.823 0.093 0.000 1.023 69 V HN 1.056 nan 8.190 nan 0.000 0.435 70 N N 2.079 120.841 118.700 0.104 0.000 2.685 70 N HA -0.255 4.519 4.740 0.056 0.000 0.251 70 N C 0.910 176.564 175.510 0.240 0.000 1.020 70 N CA 1.573 54.686 53.050 0.105 0.000 0.762 70 N CB -0.424 37.981 38.487 -0.136 0.000 0.958 70 N HN 0.859 nan 8.380 nan 0.000 0.539 71 M N -2.210 117.496 119.600 0.178 0.000 2.558 71 M HA 0.149 4.662 4.480 0.056 0.000 0.255 71 M C 0.320 176.688 176.300 0.113 0.000 1.113 71 M CA 0.740 56.128 55.300 0.147 0.000 1.097 71 M CB 0.124 32.797 32.600 0.121 0.000 1.426 71 M HN 0.063 nan 8.290 nan 0.000 0.488 72 S N 2.924 118.682 115.700 0.097 0.000 3.292 72 S HA -0.090 4.414 4.470 0.056 0.000 0.360 72 S C 0.201 174.835 174.600 0.056 0.000 0.930 72 S CA 0.575 58.816 58.200 0.069 0.000 1.317 72 S CB -2.379 60.866 63.200 0.075 0.000 0.920 72 S HN 0.684 nan 8.310 nan 0.000 0.540 73 L N -1.115 120.142 121.223 0.057 0.000 2.474 73 L HA 0.745 5.119 4.340 0.056 0.000 0.259 73 L C 1.532 178.409 176.870 0.012 0.000 1.232 73 L CA 0.738 55.614 54.840 0.061 0.000 0.821 73 L CB -0.308 41.814 42.059 0.105 0.000 1.108 73 L HN 0.631 nan 8.230 nan 0.000 0.495 74 G N -0.278 108.524 108.800 0.003 0.000 2.268 74 G HA2 -0.307 3.686 3.960 0.056 0.000 0.240 74 G HA3 -0.307 3.686 3.960 0.056 0.000 0.240 74 G C 0.655 175.525 174.900 -0.050 0.000 1.010 74 G CA 0.494 45.574 45.100 -0.032 0.000 0.618 74 G HN 0.965 nan 8.290 nan 0.000 0.516 75 L N 1.617 122.810 121.223 -0.049 0.000 2.042 75 L HA 0.366 4.740 4.340 0.056 0.000 0.210 75 L C 1.418 178.192 176.870 -0.161 0.000 1.076 75 L CA 2.816 57.601 54.840 -0.092 0.000 0.749 75 L CB -0.250 41.759 42.059 -0.083 0.000 0.893 75 L HN 0.531 nan 8.230 nan 0.000 0.432 76 S N -0.995 114.615 115.700 -0.151 0.000 2.473 76 S HA 0.674 5.178 4.470 0.056 0.000 0.307 76 S C -0.748 173.802 174.600 -0.083 0.000 1.094 76 S CA -0.800 57.294 58.200 -0.175 0.000 1.070 76 S CB 0.570 63.637 63.200 -0.222 0.000 1.019 76 S HN 0.182 nan 8.310 nan 0.000 0.480 77 L N 2.777 123.964 121.223 -0.059 0.000 2.327 77 L HA 0.995 5.368 4.340 0.056 0.000 0.258 77 L C -0.644 176.257 176.870 0.051 0.000 1.024 77 L CA -0.920 53.921 54.840 0.002 0.000 0.825 77 L CB 2.231 44.289 42.059 -0.002 0.000 1.386 77 L HN 0.802 nan 8.230 nan 0.000 0.417 78 A N 0.847 123.750 122.820 0.138 0.000 2.573 78 A HA 0.640 4.994 4.320 0.056 0.000 0.299 78 A C -1.451 176.394 177.584 0.435 0.000 1.060 78 A CA -0.357 51.836 52.037 0.261 0.000 0.736 78 A CB 1.839 20.994 19.000 0.260 0.000 1.280 78 A HN 0.438 nan 8.150 nan 0.000 0.401 79 S N 0.294 116.144 115.700 0.249 0.000 2.536 79 S HA 0.843 5.346 4.470 0.056 0.000 0.287 79 S C -0.335 173.988 174.600 -0.463 0.000 1.101 79 S CA 0.208 58.375 58.200 -0.055 0.000 0.950 79 S CB 1.791 65.021 63.200 0.050 0.000 1.056 79 S HN 1.511 nan 8.310 nan 0.000 0.481 80 T N 0.829 114.761 114.554 -1.037 0.000 2.950 80 T HA 0.594 4.977 4.350 0.056 0.000 0.288 80 T C 1.153 175.615 174.700 -0.397 0.000 1.035 80 T CA 0.120 61.746 62.100 -0.789 0.000 1.028 80 T CB 1.262 69.461 68.868 -1.114 0.000 1.109 80 T HN 0.813 nan 8.240 nan 0.000 0.514 81 T N -0.764 113.648 114.554 -0.237 0.000 2.971 81 T HA 0.194 4.578 4.350 0.056 0.000 0.252 81 T C 1.920 176.551 174.700 -0.115 0.000 1.022 81 T CA 0.426 62.433 62.100 -0.155 0.000 0.980 81 T CB -0.187 68.623 68.868 -0.097 0.000 1.044 81 T HN 0.392 nan 8.240 nan 0.000 0.501 82 S N 3.155 118.795 115.700 -0.101 0.000 2.523 82 S HA 0.017 4.520 4.470 0.056 0.000 0.226 82 S C -1.496 173.078 174.600 -0.042 0.000 1.062 82 S CA 0.879 59.051 58.200 -0.047 0.000 1.207 82 S CB -1.207 61.986 63.200 -0.012 0.000 1.151 82 S HN 0.488 nan 8.310 nan 0.000 0.408 83 P HA 0.319 nan 4.420 nan 0.000 0.288 83 P C -1.137 176.111 177.300 -0.086 0.000 1.267 83 P CA -0.367 62.707 63.100 -0.043 0.000 0.815 83 P CB 0.986 32.680 31.700 -0.010 0.000 0.989 84 S N 2.387 118.020 115.700 -0.111 0.000 2.506 84 S HA 0.133 4.637 4.470 0.056 0.000 0.291 84 S C -0.105 174.417 174.600 -0.130 0.000 1.230 84 S CA -0.280 57.812 58.200 -0.181 0.000 1.107 84 S CB -0.429 62.627 63.200 -0.241 0.000 0.942 84 S HN 0.397 nan 8.310 nan 0.000 0.502 85 Q N 1.586 121.307 119.800 -0.131 0.000 2.587 85 Q HA 0.771 5.144 4.340 0.056 0.000 0.293 85 Q C -1.203 174.875 176.000 0.129 0.000 1.083 85 Q CA -1.009 54.822 55.803 0.046 0.000 0.792 85 Q CB 2.275 31.081 28.738 0.113 0.000 1.484 85 Q HN 0.737 nan 8.270 nan 0.000 0.446 86 L N 0.777 122.191 121.223 0.320 0.000 2.376 86 L HA 0.658 5.032 4.340 0.056 0.000 0.258 86 L C -2.104 174.971 176.870 0.342 0.000 1.013 86 L CA -1.024 54.013 54.840 0.327 0.000 0.822 86 L CB 2.243 44.419 42.059 0.195 0.000 1.388 86 L HN 0.533 nan 8.230 nan 0.000 0.413 87 L N 3.264 124.678 121.223 0.319 0.000 2.446 87 L HA 0.828 5.201 4.340 0.056 0.000 0.268 87 L C -0.754 176.179 176.870 0.104 0.000 0.975 87 L CA -0.081 54.871 54.840 0.186 0.000 0.848 87 L CB 1.231 43.352 42.059 0.103 0.000 1.225 87 L HN 0.678 nan 8.230 nan 0.000 0.410 88 A N 3.583 126.460 122.820 0.095 0.000 2.299 88 A HA 0.911 5.264 4.320 0.056 0.000 0.332 88 A C -0.946 176.715 177.584 0.129 0.000 1.131 88 A CA -0.408 51.681 52.037 0.086 0.000 0.844 88 A CB 1.296 20.331 19.000 0.059 0.000 1.251 88 A HN 0.753 nan 8.150 nan 0.000 0.486 89 c N -0.297 118.359 118.600 0.093 0.000 2.891 89 c HA 0.660 5.263 4.570 0.056 0.000 0.342 89 c C 0.523 174.655 174.090 0.070 0.000 1.126 89 c CA -0.500 55.861 56.329 0.053 0.000 1.322 89 c CB 1.511 44.007 42.510 -0.023 0.000 1.763 89 c HN 1.172 nan 8.230 nan 0.000 0.491 90 G N 2.636 111.485 108.800 0.081 0.000 3.005 90 G HA2 0.480 4.474 3.960 0.056 0.000 0.342 90 G HA3 0.480 4.474 3.960 0.056 0.000 0.342 90 G C -2.163 172.756 174.900 0.032 0.000 1.101 90 G CA -0.913 44.231 45.100 0.074 0.000 1.225 90 G HN 0.563 nan 8.290 nan 0.000 0.462 91 P HA 0.079 nan 4.420 nan 0.000 0.258 91 P C 0.813 178.154 177.300 0.069 0.000 1.319 91 P CA 0.688 63.825 63.100 0.062 0.000 0.785 91 P CB 0.347 32.114 31.700 0.112 0.000 1.252 92 T N -4.540 110.043 114.554 0.048 0.000 3.633 92 T HA 0.239 4.623 4.350 0.056 0.000 0.278 92 T C 0.083 174.755 174.700 -0.047 0.000 0.991 92 T CA -0.421 61.685 62.100 0.011 0.000 1.036 92 T CB -0.793 68.142 68.868 0.113 0.000 1.148 92 T HN -0.295 nan 8.240 nan 0.000 0.501 93 V N 2.270 122.163 119.914 -0.035 0.000 2.763 93 V HA 0.222 4.376 4.120 0.056 0.000 0.306 93 V C 0.019 176.056 176.094 -0.094 0.000 1.059 93 V CA 0.023 62.336 62.300 0.023 0.000 1.138 93 V CB -0.179 31.660 31.823 0.026 0.000 0.940 93 V HN 0.662 nan 8.190 nan 0.000 0.489 94 H N 2.535 121.659 119.070 0.089 0.000 2.646 94 H HA 0.555 5.129 4.556 0.031 0.000 0.328 94 H C -0.322 175.059 175.328 0.089 0.000 0.998 94 H CA -0.545 55.537 56.048 0.057 0.000 1.225 94 H CB 0.769 30.538 29.762 0.012 0.000 1.457 94 H HN 0.924 nan 8.280 nan 0.000 0.505 95 H N 0.151 119.281 119.070 0.099 0.000 2.587 95 H HA 0.303 4.894 4.556 0.058 0.000 0.325 95 H C -0.646 174.721 175.328 0.066 0.000 1.012 95 H CA -1.169 54.922 56.048 0.072 0.000 1.213 95 H CB 0.912 30.703 29.762 0.049 0.000 1.431 95 H HN 0.616 nan 8.280 nan 0.000 0.492 96 E N 2.846 123.064 120.200 0.029 0.000 2.166 96 E HA 0.152 4.536 4.350 0.056 0.000 0.279 96 E C -0.482 176.130 176.600 0.020 0.000 1.095 96 E CA -0.613 55.769 56.400 -0.030 0.000 0.888 96 E CB 0.511 30.207 29.700 -0.007 0.000 1.041 96 E HN 0.638 nan 8.360 nan 0.000 0.414 97 c N 4.084 122.677 118.600 -0.011 0.000 2.435 97 c HA 0.395 4.999 4.570 0.056 0.000 0.326 97 c C 1.415 175.523 174.090 0.030 0.000 1.328 97 c CA 0.231 56.603 56.329 0.072 0.000 1.741 97 c CB -1.480 41.139 42.510 0.182 0.000 1.998 97 c HN 1.107 nan 8.230 nan 0.000 0.585 98 G N 2.806 111.603 108.800 -0.006 0.000 3.127 98 G HA2 -0.339 3.654 3.960 0.056 0.000 0.280 98 G HA3 -0.339 3.654 3.960 0.056 0.000 0.280 98 G C 1.234 176.114 174.900 -0.033 0.000 1.491 98 G CA 0.456 45.551 45.100 -0.010 0.000 1.029 98 G HN 0.453 nan 8.290 nan 0.000 0.582 99 R N 1.804 122.292 120.500 -0.020 0.000 2.119 99 R HA -0.103 4.270 4.340 0.056 0.000 0.246 99 R C 0.651 176.905 176.300 -0.078 0.000 1.146 99 R CA 2.186 58.268 56.100 -0.029 0.000 0.962 99 R CB -0.724 29.575 30.300 -0.001 0.000 0.863 99 R HN 1.144 nan 8.270 nan 0.000 0.442 100 N N 0.276 118.888 118.700 -0.147 0.000 2.452 100 N HA 0.184 4.957 4.740 0.056 0.000 0.277 100 N C -0.648 174.508 175.510 -0.589 0.000 1.078 100 N CA -0.979 51.889 53.050 -0.304 0.000 0.947 100 N CB 1.033 39.340 38.487 -0.300 0.000 1.655 100 N HN 0.269 nan 8.380 nan 0.000 0.490 101 M N -0.255 119.031 119.600 -0.524 0.000 2.159 101 M HA 0.637 5.150 4.480 0.056 0.000 0.293 101 M C -0.957 174.812 176.300 -0.885 0.000 1.186 101 M CA -0.038 54.913 55.300 -0.583 0.000 1.073 101 M CB 0.647 33.097 32.600 -0.250 0.000 1.419 101 M HN 0.521 nan 8.290 nan 0.000 0.490 102 Y N -0.806 119.257 120.300 -0.395 0.000 2.974 102 Y HA 0.755 5.337 4.550 0.054 0.000 0.310 102 Y C -1.094 174.677 175.900 -0.215 0.000 1.526 102 Y CA -1.099 56.857 58.100 -0.240 0.000 1.087 102 Y CB 1.397 39.762 38.460 -0.159 0.000 1.404 102 Y HN 0.538 nan 8.280 nan 0.000 0.491 103 L N 0.134 121.414 121.223 0.096 0.000 2.409 103 L HA 0.483 4.856 4.340 0.056 0.000 0.272 103 L C 0.236 177.122 176.870 0.028 0.000 0.980 103 L CA -0.230 54.595 54.840 -0.024 0.000 0.826 103 L CB 2.147 44.154 42.059 -0.086 0.000 1.268 103 L HN 0.831 nan 8.230 nan 0.000 0.407 104 T N 0.820 115.387 114.554 0.021 0.000 3.085 104 T HA 0.466 4.849 4.350 0.056 0.000 0.241 104 T C 0.597 175.244 174.700 -0.089 0.000 0.988 104 T CA 0.587 62.654 62.100 -0.055 0.000 1.117 104 T CB 0.239 69.042 68.868 -0.109 0.000 0.978 104 T HN 1.009 nan 8.240 nan 0.000 0.454 105 G N 1.136 109.896 108.800 -0.067 0.000 2.785 105 G HA2 0.172 4.166 3.960 0.056 0.000 0.686 105 G HA3 0.172 4.166 3.960 0.056 0.000 0.686 105 G C -1.281 173.539 174.900 -0.134 0.000 1.155 105 G CA -0.299 44.758 45.100 -0.072 0.000 0.760 105 G HN 0.979 nan 8.290 nan 0.000 0.624 106 L N 2.321 123.447 121.223 -0.160 0.000 2.516 106 L HA 0.798 5.172 4.340 0.056 0.000 0.267 106 L C -0.083 176.501 176.870 -0.478 0.000 0.957 106 L CA -0.671 53.983 54.840 -0.310 0.000 0.860 106 L CB 1.637 43.522 42.059 -0.291 0.000 1.265 106 L HN 0.990 nan 8.230 nan 0.000 0.403 107 c N 3.423 121.678 118.600 -0.575 0.000 2.486 107 c HA 0.764 5.367 4.570 0.056 0.000 0.348 107 c C -0.808 172.790 174.090 -0.820 0.000 1.203 107 c CA -0.553 55.448 56.329 -0.546 0.000 1.911 107 c CB 1.487 43.833 42.510 -0.275 0.000 2.340 107 c HN 0.696 nan 8.230 nan 0.000 0.511 108 F N 1.401 121.294 119.950 -0.094 0.000 2.539 108 F HA 0.575 5.134 4.527 0.053 0.000 0.318 108 F C -0.213 175.548 175.800 -0.065 0.000 1.135 108 F CA -0.588 57.361 58.000 -0.085 0.000 0.915 108 F CB 0.705 39.658 39.000 -0.080 0.000 1.176 108 F HN 0.131 nan 8.300 nan 0.000 0.440 109 L N 4.837 126.113 121.223 0.088 0.000 2.264 109 L HA 0.506 4.880 4.340 0.056 0.000 0.289 109 L C -0.632 176.290 176.870 0.087 0.000 1.044 109 L CA -0.545 54.346 54.840 0.086 0.000 0.807 109 L CB 1.048 43.134 42.059 0.046 0.000 1.192 109 L HN 0.548 nan 8.230 nan 0.000 0.425 110 L N 2.480 123.756 121.223 0.089 0.000 2.558 110 L HA 0.963 5.337 4.340 0.056 0.000 0.260 110 L C 0.585 177.520 176.870 0.107 0.000 1.130 110 L CA -0.353 54.517 54.840 0.049 0.000 1.049 110 L CB 1.179 43.212 42.059 -0.044 0.000 1.758 110 L HN 0.673 nan 8.230 nan 0.000 0.555 111 G N -1.446 107.422 108.800 0.113 0.000 2.347 111 G HA2 0.101 4.095 3.960 0.056 0.000 0.341 111 G HA3 0.101 4.095 3.960 0.056 0.000 0.341 111 G C -2.735 172.215 174.900 0.083 0.000 1.287 111 G CA -0.751 44.448 45.100 0.166 0.000 0.984 111 G HN 0.344 nan 8.290 nan 0.000 0.526 112 P HA 0.224 nan 4.420 nan 0.000 0.246 112 P C 0.607 177.920 177.300 0.022 0.000 1.686 112 P CA 1.259 64.377 63.100 0.029 0.000 0.867 112 P CB -0.202 31.508 31.700 0.017 0.000 1.733 113 T N -4.349 110.221 114.554 0.025 0.000 2.574 113 T HA 0.319 4.702 4.350 0.056 0.000 0.224 113 T C -0.535 174.174 174.700 0.016 0.000 0.792 113 T CA -0.650 61.462 62.100 0.021 0.000 1.317 113 T CB 0.706 69.590 68.868 0.028 0.000 1.590 113 T HN -0.100 nan 8.240 nan 0.000 0.456 114 Q N 0.696 120.506 119.800 0.016 0.000 2.243 114 Q HA 0.545 4.918 4.340 0.056 0.000 0.252 114 Q C -0.710 175.299 176.000 0.014 0.000 0.909 114 Q CA -0.502 55.307 55.803 0.010 0.000 0.922 114 Q CB 1.607 30.349 28.738 0.008 0.000 1.215 114 Q HN 0.412 nan 8.270 nan 0.000 0.427 115 L N 3.349 124.576 121.223 0.008 0.000 2.451 115 L HA 0.093 4.466 4.340 0.056 0.000 0.272 115 L C -0.037 176.849 176.870 0.025 0.000 1.258 115 L CA -0.099 54.750 54.840 0.015 0.000 1.132 115 L CB -0.553 41.506 42.059 -0.000 0.000 1.361 115 L HN 0.645 nan 8.230 nan 0.000 0.438 116 T N 1.696 116.263 114.554 0.022 0.000 2.868 116 T HA 0.233 4.616 4.350 0.056 0.000 0.292 116 T C 0.054 174.755 174.700 0.003 0.000 1.028 116 T CA -0.327 61.773 62.100 -0.001 0.000 1.059 116 T CB 0.990 69.844 68.868 -0.023 0.000 0.991 116 T HN 0.447 nan 8.240 nan 0.000 0.531 117 Q N 1.203 120.972 119.800 -0.052 0.000 2.303 117 Q HA 0.377 4.750 4.340 0.056 0.000 0.267 117 Q C -0.679 175.184 176.000 -0.229 0.000 1.011 117 Q CA -0.475 55.249 55.803 -0.132 0.000 0.740 117 Q CB 1.946 30.635 28.738 -0.082 0.000 1.250 117 Q HN 0.318 nan 8.270 nan 0.000 0.458 118 R N 2.795 123.100 120.500 -0.325 0.000 2.415 118 R HA 0.192 4.566 4.340 0.056 0.000 0.292 118 R C 0.013 176.014 176.300 -0.498 0.000 1.295 118 R CA -0.206 55.641 56.100 -0.421 0.000 1.137 118 R CB 1.135 31.121 30.300 -0.524 0.000 1.135 118 R HN 0.549 nan 8.270 nan 0.000 0.560 119 L N 3.401 124.406 121.223 -0.363 0.000 2.463 119 L HA 0.258 4.631 4.340 0.056 0.000 0.219 119 L C -1.740 175.063 176.870 -0.112 0.000 1.088 119 L CA 0.653 55.338 54.840 -0.258 0.000 0.849 119 L CB 0.230 42.149 42.059 -0.233 0.000 1.012 119 L HN 0.286 nan 8.230 nan 0.000 0.468 120 P HA 0.243 nan 4.420 nan 0.000 0.247 120 P C 0.276 177.483 177.300 -0.155 0.000 1.683 120 P CA -0.026 62.954 63.100 -0.200 0.000 1.143 120 P CB 1.277 32.878 31.700 -0.165 0.000 1.577 121 V N 1.409 121.214 119.914 -0.181 0.000 2.471 121 V HA -0.277 3.876 4.120 0.056 0.000 0.132 121 V C 0.992 177.017 176.094 -0.115 0.000 0.451 121 V CA 2.004 64.215 62.300 -0.148 0.000 1.274 121 V CB -2.708 29.040 31.823 -0.125 0.000 1.494 121 V HN 0.789 nan 8.190 nan 0.000 1.012 122 S N 2.029 117.658 115.700 -0.119 0.000 3.065 122 S HA 0.328 4.831 4.470 0.056 0.000 0.311 122 S C 0.643 175.164 174.600 -0.132 0.000 1.204 122 S CA -0.269 57.866 58.200 -0.108 0.000 1.040 122 S CB 0.004 63.142 63.200 -0.103 0.000 1.436 122 S HN 0.841 nan 8.310 nan 0.000 0.532 123 R N 2.600 123.030 120.500 -0.117 0.000 2.614 123 R HA -0.073 4.300 4.340 0.056 0.000 0.335 123 R C -0.496 175.698 176.300 -0.178 0.000 0.859 123 R CA 0.207 56.227 56.100 -0.133 0.000 1.123 123 R CB -0.312 29.935 30.300 -0.088 0.000 0.887 123 R HN 0.612 nan 8.270 nan 0.000 0.407 124 Q N 3.294 122.941 119.800 -0.256 0.000 2.371 124 Q HA -0.047 4.327 4.340 0.056 0.000 0.254 124 Q C -0.348 175.428 176.000 -0.373 0.000 1.264 124 Q CA 0.645 56.257 55.803 -0.319 0.000 0.904 124 Q CB 0.300 28.808 28.738 -0.384 0.000 1.507 124 Q HN 0.580 nan 8.270 nan 0.000 0.495 125 E N 0.845 120.920 120.200 -0.209 0.000 2.422 125 E HA -0.022 4.361 4.350 0.056 0.000 0.260 125 E C -0.004 176.548 176.600 -0.080 0.000 1.108 125 E CA -0.424 55.903 56.400 -0.121 0.000 0.943 125 E CB 0.622 30.282 29.700 -0.067 0.000 0.961 125 E HN 0.554 nan 8.360 nan 0.000 0.443 126 c N 2.213 120.841 118.600 0.047 0.000 2.705 126 c HA 0.214 4.818 4.570 0.056 0.000 0.348 126 c C -1.267 172.849 174.090 0.043 0.000 1.386 126 c CA -1.057 55.353 56.329 0.135 0.000 2.361 126 c CB -1.296 41.323 42.510 0.183 0.000 2.486 126 c HN 0.693 nan 8.230 nan 0.000 0.728 330 L N 2.178 123.230 121.223 -0.284 0.000 2.559 330 L HA 0.276 4.650 4.340 0.056 0.000 0.276 330 L C 0.093 176.778 176.870 -0.310 0.000 1.457 330 L CA 0.073 54.711 54.840 -0.336 0.000 0.708 330 L CB 1.024 42.912 42.059 -0.285 0.000 0.987 330 L HN 0.046 nan 8.230 nan 0.000 0.518 331 E N 0.552 120.531 120.200 -0.367 0.000 2.206 331 E HA 0.216 4.600 4.350 0.056 0.000 0.195 331 E C 0.680 177.179 176.600 -0.168 0.000 0.935 331 E CA 0.905 57.079 56.400 -0.376 0.000 0.875 331 E CB 0.375 29.527 29.700 -0.914 0.000 0.841 331 E HN 0.353 nan 8.360 nan 0.000 0.477 332 M N 0.067 119.514 119.600 -0.256 0.000 3.074 332 M HA 0.492 5.005 4.480 0.056 0.000 0.252 332 M C 0.245 176.322 176.300 -0.373 0.000 1.181 332 M CA -0.243 54.949 55.300 -0.180 0.000 0.771 332 M CB 1.363 33.943 32.600 -0.033 0.000 1.375 332 M HN 0.048 nan 8.290 nan 0.000 0.512 333 A N -0.120 122.531 122.820 -0.281 0.000 2.220 333 A HA 0.098 4.451 4.320 0.056 0.000 0.211 333 A C 1.145 178.678 177.584 -0.086 0.000 1.176 333 A CA 0.149 52.040 52.037 -0.243 0.000 0.834 333 A CB 0.070 18.933 19.000 -0.229 0.000 0.868 333 A HN 0.728 nan 8.150 nan 0.000 0.488 334 Q N 0.468 120.235 119.800 -0.054 0.000 2.411 334 Q HA -0.232 4.142 4.340 0.056 0.000 0.305 334 Q C 0.024 176.051 176.000 0.046 0.000 1.273 334 Q CA 0.879 56.688 55.803 0.011 0.000 0.895 334 Q CB -1.475 27.303 28.738 0.067 0.000 1.198 334 Q HN 0.864 nan 8.270 nan 0.000 0.470 335 E N -0.540 119.660 120.200 -0.001 0.000 2.508 335 E HA 0.051 4.435 4.350 0.056 0.000 0.266 335 E C 1.282 177.908 176.600 0.044 0.000 1.010 335 E CA 1.148 57.572 56.400 0.039 0.000 0.955 335 E CB 0.081 29.750 29.700 -0.052 0.000 0.946 335 E HN 0.498 nan 8.360 nan 0.000 0.454 336 G N 3.539 112.389 108.800 0.082 0.000 2.157 336 G HA2 -0.332 3.661 3.960 0.056 0.000 0.239 336 G HA3 -0.332 3.661 3.960 0.056 0.000 0.239 336 G C 0.357 175.286 174.900 0.049 0.000 0.982 336 G CA 0.241 45.364 45.100 0.037 0.000 0.650 336 G HN 0.647 nan 8.290 nan 0.000 0.527 337 F N 2.489 122.410 119.950 -0.048 0.000 2.202 337 F HA 0.190 4.744 4.527 0.045 0.000 0.301 337 F C 1.405 177.133 175.800 -0.120 0.000 1.082 337 F CA 2.204 60.146 58.000 -0.097 0.000 1.313 337 F CB 0.185 39.113 39.000 -0.120 0.000 1.024 337 F HN 0.725 nan 8.300 nan 0.000 0.495 338 S N -0.470 115.228 115.700 -0.003 0.000 2.592 338 S HA 0.781 5.284 4.470 0.056 0.000 0.275 338 S C -0.874 173.730 174.600 0.006 0.000 1.169 338 S CA -0.395 57.766 58.200 -0.066 0.000 0.958 338 S CB 1.039 64.232 63.200 -0.012 0.000 1.095 338 S HN 0.484 nan 8.310 nan 0.000 0.471 339 A N 1.862 124.671 122.820 -0.017 0.000 2.413 339 A HA 0.997 5.351 4.320 0.056 0.000 0.307 339 A C -0.840 176.750 177.584 0.009 0.000 1.087 339 A CA -1.019 51.008 52.037 -0.018 0.000 0.750 339 A CB 1.990 20.949 19.000 -0.068 0.000 1.296 339 A HN 1.956 nan 8.150 nan 0.000 0.423 340 V N 1.652 121.563 119.914 -0.006 0.000 3.000 340 V HA 0.620 4.774 4.120 0.056 0.000 0.300 340 V C -1.340 174.793 176.094 0.066 0.000 1.251 340 V CA -0.771 61.589 62.300 0.099 0.000 0.972 340 V CB 1.512 33.397 31.823 0.105 0.000 1.065 340 V HN 0.874 nan 8.190 nan 0.000 0.431 341 F N 3.096 123.076 119.950 0.051 0.000 2.299 341 F HA 0.793 5.354 4.527 0.056 0.000 0.293 341 F C 0.860 176.693 175.800 0.055 0.000 1.252 341 F CA 0.779 58.813 58.000 0.056 0.000 1.160 341 F CB 1.362 40.392 39.000 0.050 0.000 1.405 341 F HN 0.651 nan 8.300 nan 0.000 0.517 342 T N -0.647 114.072 114.554 0.275 0.000 3.094 342 T HA 0.179 4.563 4.350 0.056 0.000 0.373 342 T C -2.430 172.360 174.700 0.150 0.000 1.806 342 T CA -1.092 61.109 62.100 0.168 0.000 1.107 342 T CB 1.055 69.995 68.868 0.119 0.000 1.632 342 T HN 0.140 nan 8.240 nan 0.000 0.488 343 P HA -0.106 nan 4.420 nan 0.000 0.219 343 P C 0.086 177.444 177.300 0.096 0.000 1.151 343 P CA 1.599 64.754 63.100 0.092 0.000 0.850 343 P CB -0.115 31.625 31.700 0.068 0.000 0.784 344 D N -1.516 118.944 120.400 0.100 0.000 3.133 344 D HA 0.459 5.132 4.640 0.056 0.000 0.288 344 D C 0.611 176.978 176.300 0.113 0.000 1.346 344 D CA -0.572 53.489 54.000 0.101 0.000 0.934 344 D CB -0.578 40.282 40.800 0.100 0.000 1.042 344 D HN 0.169 nan 8.370 nan 0.000 0.506 345 G N 0.746 109.620 108.800 0.123 0.000 2.712 345 G HA2 -0.129 3.864 3.960 0.056 0.000 0.686 345 G HA3 -0.129 3.864 3.960 0.056 0.000 0.686 345 G C -2.827 172.134 174.900 0.102 0.000 1.321 345 G CA -1.147 44.028 45.100 0.125 0.000 0.813 345 G HN 0.265 nan 8.290 nan 0.000 0.599 346 P HA 0.488 nan 4.420 nan 0.000 0.274 346 P C -0.188 177.127 177.300 0.024 0.000 1.264 346 P CA -0.398 62.619 63.100 -0.138 0.000 0.795 346 P CB 0.755 32.257 31.700 -0.330 0.000 1.064 347 V N 0.889 120.785 119.914 -0.030 0.000 2.610 347 V HA 0.188 4.342 4.120 0.056 0.000 0.288 347 V C -0.593 175.532 176.094 0.052 0.000 1.055 347 V CA -0.363 61.968 62.300 0.051 0.000 0.902 347 V CB 1.266 33.103 31.823 0.023 0.000 1.030 347 V HN 0.273 nan 8.190 nan 0.000 0.448 348 L N 3.330 124.642 121.223 0.148 0.000 2.352 348 L HA 0.919 5.293 4.340 0.056 0.000 0.269 348 L C 0.838 177.813 176.870 0.175 0.000 1.034 348 L CA 0.116 55.039 54.840 0.138 0.000 0.806 348 L CB 1.576 43.732 42.059 0.162 0.000 1.244 348 L HN 0.679 nan 8.230 nan 0.000 0.447 349 G N 0.289 109.184 108.800 0.159 0.000 2.416 349 G HA2 0.705 4.699 3.960 0.056 0.000 0.324 349 G HA3 0.705 4.699 3.960 0.056 0.000 0.324 349 G C -1.144 173.879 174.900 0.205 0.000 1.194 349 G CA -0.361 44.841 45.100 0.170 0.000 0.922 349 G HN 0.795 nan 8.290 nan 0.000 0.467 350 A N 1.252 124.210 122.820 0.231 0.000 2.295 350 A HA 0.709 5.063 4.320 0.056 0.000 0.318 350 A C 1.125 178.770 177.584 0.100 0.000 1.134 350 A CA -0.026 52.118 52.037 0.178 0.000 0.827 350 A CB 1.597 20.760 19.000 0.272 0.000 1.136 350 A HN 1.565 nan 8.150 nan 0.000 0.493 351 V N -0.947 118.994 119.914 0.046 0.000 2.996 351 V HA 0.350 4.503 4.120 0.056 0.000 0.235 351 V C 1.368 177.505 176.094 0.071 0.000 1.205 351 V CA 1.091 63.472 62.300 0.135 0.000 1.225 351 V CB -0.681 31.268 31.823 0.210 0.000 0.995 351 V HN 1.016 nan 8.190 nan 0.000 0.484 352 G N 1.352 110.001 108.800 -0.251 0.000 3.474 352 G HA2 0.233 4.227 3.960 0.056 0.000 0.269 352 G HA3 0.233 4.227 3.960 0.056 0.000 0.269 352 G C 0.272 174.710 174.900 -0.771 0.000 1.339 352 G CA 0.215 44.758 45.100 -0.928 0.000 1.258 352 G HN 0.410 nan 8.290 nan 0.000 0.560 353 S N 1.244 116.615 115.700 -0.549 0.000 2.437 353 S HA 0.431 4.935 4.470 0.056 0.000 0.304 353 S C 0.452 174.483 174.600 -0.949 0.000 1.167 353 S CA -0.431 57.184 58.200 -0.974 0.000 1.106 353 S CB -0.159 62.487 63.200 -0.923 0.000 1.099 353 S HN 0.453 nan 8.310 nan 0.000 0.524 354 F N 0.065 119.904 119.950 -0.185 0.000 2.193 354 F HA -0.321 4.242 4.527 0.060 0.000 0.339 354 F C 1.760 177.501 175.800 -0.098 0.000 0.486 354 F CA 1.169 59.096 58.000 -0.120 0.000 0.908 354 F CB -2.088 36.880 39.000 -0.053 0.000 4.085 354 F HN 0.481 nan 8.300 nan 0.000 0.143 355 T N -2.985 111.712 114.554 0.238 0.000 3.535 355 T HA 0.306 4.689 4.350 0.056 0.000 0.238 355 T C -0.191 174.673 174.700 0.274 0.000 0.909 355 T CA 0.450 62.675 62.100 0.208 0.000 0.928 355 T CB -1.506 67.459 68.868 0.162 0.000 1.134 355 T HN 0.579 nan 8.240 nan 0.000 0.627 356 W N 0.178 121.468 121.300 -0.018 0.000 5.271 356 W HA -0.298 4.396 4.660 0.056 0.000 0.364 356 W C 1.808 178.281 176.519 -0.076 0.000 1.342 356 W CA 0.542 57.840 57.345 -0.080 0.000 0.899 356 W CB -2.424 26.947 29.460 -0.148 0.000 2.450 356 W HN 0.541 nan 8.180 nan 0.000 1.508 357 S N -0.208 115.577 115.700 0.143 0.000 2.344 357 S HA 0.306 4.809 4.470 0.056 0.000 0.217 357 S C 1.444 176.112 174.600 0.114 0.000 1.033 357 S CA 2.543 60.833 58.200 0.150 0.000 1.017 357 S CB -0.344 63.009 63.200 0.254 0.000 0.941 357 S HN 1.351 nan 8.310 nan 0.000 0.430 358 G N -1.729 107.110 108.800 0.065 0.000 2.408 358 G HA2 0.453 4.446 3.960 0.056 0.000 0.682 358 G HA3 0.453 4.446 3.960 0.056 0.000 0.682 358 G C -0.042 174.869 174.900 0.019 0.000 1.303 358 G CA -0.492 44.639 45.100 0.051 0.000 0.966 358 G HN 1.558 nan 8.290 nan 0.000 0.560 359 G N -1.713 107.065 108.800 -0.037 0.000 2.360 359 G HA2 0.822 4.815 3.960 0.056 0.000 0.276 359 G HA3 0.822 4.815 3.960 0.056 0.000 0.276 359 G C -0.770 173.970 174.900 -0.266 0.000 1.256 359 G CA 1.182 46.075 45.100 -0.345 0.000 0.890 359 G HN 2.733 nan 8.290 nan 0.000 0.486 360 A N -1.014 121.464 122.820 -0.570 0.000 2.512 360 A HA 0.666 5.020 4.320 0.056 0.000 0.294 360 A C -1.620 175.811 177.584 -0.256 0.000 1.054 360 A CA -0.559 51.350 52.037 -0.213 0.000 0.756 360 A CB 0.666 19.561 19.000 -0.175 0.000 1.293 360 A HN 1.081 nan 8.150 nan 0.000 0.395 361 F N 2.411 122.398 119.950 0.061 0.000 2.404 361 F HA 0.390 4.949 4.527 0.053 0.000 0.359 361 F C 0.533 176.134 175.800 -0.331 0.000 1.134 361 F CA -0.051 57.903 58.000 -0.076 0.000 1.160 361 F CB 1.138 40.028 39.000 -0.182 0.000 1.186 361 F HN 0.587 nan 8.300 nan 0.000 0.526 362 L N 5.262 126.369 121.223 -0.192 0.000 2.331 362 L HA 0.329 4.702 4.340 0.056 0.000 0.278 362 L C -1.249 175.435 176.870 -0.310 0.000 1.106 362 L CA -0.424 54.321 54.840 -0.158 0.000 0.824 362 L CB 0.400 42.418 42.059 -0.068 0.000 1.142 362 L HN 0.464 nan 8.230 nan 0.000 0.443 363 Y N 5.622 125.942 120.300 0.035 0.000 2.334 363 Y HA 0.451 5.033 4.550 0.054 0.000 0.336 363 Y C -2.106 173.808 175.900 0.023 0.000 0.960 363 Y CA -2.253 55.859 58.100 0.020 0.000 1.164 363 Y CB 0.910 39.364 38.460 -0.009 0.000 1.155 363 Y HN 0.557 nan 8.280 nan 0.000 0.478 364 P HA 0.114 nan 4.420 nan 0.000 0.312 364 P C -2.430 174.934 177.300 0.107 0.000 1.307 364 P CA -1.287 61.880 63.100 0.112 0.000 0.738 364 P CB -0.016 31.733 31.700 0.081 0.000 1.422 365 P HA 0.065 nan 4.420 nan 0.000 0.247 365 P C -0.079 177.253 177.300 0.053 0.000 1.756 365 P CA 0.261 63.400 63.100 0.065 0.000 1.117 365 P CB -0.730 31.005 31.700 0.058 0.000 1.869 366 N N 0.091 118.823 118.700 0.054 0.000 2.961 366 N HA -0.170 4.604 4.740 0.056 0.000 0.223 366 N C 0.207 175.741 175.510 0.041 0.000 0.866 366 N CA 0.896 53.969 53.050 0.039 0.000 1.030 366 N CB -1.159 37.344 38.487 0.027 0.000 1.037 366 N HN 0.449 nan 8.380 nan 0.000 0.608 367 M N 1.829 121.457 119.600 0.047 0.000 2.245 367 M HA 0.126 4.640 4.480 0.056 0.000 0.330 367 M C 0.627 176.953 176.300 0.043 0.000 1.098 367 M CA 0.014 55.337 55.300 0.038 0.000 1.172 367 M CB 0.678 33.301 32.600 0.038 0.000 1.467 367 M HN 0.277 nan 8.290 nan 0.000 0.454 368 S N 4.815 120.529 115.700 0.023 0.000 2.552 368 S HA 0.316 4.820 4.470 0.056 0.000 0.289 368 S C -2.389 172.211 174.600 0.001 0.000 1.304 368 S CA -1.138 57.072 58.200 0.017 0.000 1.063 368 S CB -0.358 62.838 63.200 -0.006 0.000 0.848 368 S HN 0.603 nan 8.310 nan 0.000 0.499 369 P HA 0.256 nan 4.420 nan 0.000 0.274 369 P C 0.278 177.508 177.300 -0.117 0.000 1.246 369 P CA -0.355 62.688 63.100 -0.095 0.000 0.795 369 P CB 0.621 32.156 31.700 -0.275 0.000 1.006 370 T N -1.993 112.460 114.554 -0.169 0.000 2.844 370 T HA 0.757 5.141 4.350 0.056 0.000 0.274 370 T C -1.014 173.593 174.700 -0.154 0.000 0.991 370 T CA -0.606 61.370 62.100 -0.207 0.000 0.983 370 T CB 1.096 69.737 68.868 -0.377 0.000 1.310 370 T HN 0.389 nan 8.240 nan 0.000 0.596 371 F N 0.142 119.824 119.950 -0.446 0.000 2.688 371 F HA 0.604 5.163 4.527 0.054 0.000 0.308 371 F C -2.097 173.407 175.800 -0.493 0.000 1.117 371 F CA -1.476 56.161 58.000 -0.606 0.000 0.976 371 F CB 1.515 39.986 39.000 -0.881 0.000 1.291 371 F HN 0.808 nan 8.300 nan 0.000 0.439 372 I N 3.616 123.297 120.570 -1.482 0.000 2.493 372 I HA 0.521 4.724 4.170 0.056 0.000 0.279 372 I C -1.137 174.179 176.117 -1.336 0.000 1.045 372 I CA -0.615 60.014 61.300 -1.118 0.000 1.106 372 I CB 1.208 38.711 38.000 -0.829 0.000 1.216 372 I HN 0.609 nan 8.210 nan 0.000 0.459 373 N N 6.034 124.229 118.700 -0.842 0.000 2.669 373 N HA 0.474 5.247 4.740 0.056 0.000 0.306 373 N C 0.102 175.487 175.510 -0.208 0.000 1.352 373 N CA -0.618 52.224 53.050 -0.346 0.000 0.886 373 N CB 0.374 39.028 38.487 0.278 0.000 1.107 373 N HN 0.527 nan 8.380 nan 0.000 0.534 374 M N 0.250 119.849 119.600 -0.001 0.000 2.778 374 M HA 0.226 4.740 4.480 0.056 0.000 0.359 374 M C -0.254 176.064 176.300 0.030 0.000 1.216 374 M CA -0.063 55.271 55.300 0.057 0.000 0.935 374 M CB -1.368 31.309 32.600 0.127 0.000 1.330 374 M HN 0.923 nan 8.290 nan 0.000 0.516 375 S N 0.222 115.912 115.700 -0.017 0.000 3.538 375 S HA -0.293 4.210 4.470 0.056 0.000 0.640 375 S C 0.498 175.054 174.600 -0.073 0.000 2.388 375 S CA 1.229 59.397 58.200 -0.053 0.000 2.560 375 S CB -0.248 62.936 63.200 -0.026 0.000 0.328 375 S HN 0.667 nan 8.310 nan 0.000 1.791 376 Q N -0.046 119.695 119.800 -0.098 0.000 2.396 376 Q HA 0.152 4.525 4.340 0.056 0.000 0.220 376 Q C 1.986 177.963 176.000 -0.039 0.000 0.900 376 Q CA 0.497 56.244 55.803 -0.093 0.000 0.925 376 Q CB -0.092 28.564 28.738 -0.136 0.000 1.065 376 Q HN 0.789 nan 8.270 nan 0.000 0.535 377 E N 0.908 121.091 120.200 -0.029 0.000 2.333 377 E HA -0.178 4.206 4.350 0.056 0.000 0.200 377 E C 0.157 176.763 176.600 0.010 0.000 1.010 377 E CA 0.427 56.822 56.400 -0.008 0.000 0.841 377 E CB -0.116 29.583 29.700 -0.002 0.000 0.757 377 E HN 0.143 nan 8.360 nan 0.000 0.508 378 N N 0.625 119.336 118.700 0.018 0.000 2.605 378 N HA -0.035 4.738 4.740 0.056 0.000 0.258 378 N C 0.940 176.476 175.510 0.043 0.000 1.156 378 N CA -0.107 52.969 53.050 0.042 0.000 1.008 378 N CB 0.805 39.328 38.487 0.061 0.000 1.354 378 N HN -0.047 nan 8.380 nan 0.000 0.509 379 V N -0.004 119.931 119.914 0.035 0.000 2.332 379 V HA -0.212 3.941 4.120 0.056 0.000 0.248 379 V C 1.032 177.142 176.094 0.027 0.000 1.055 379 V CA 1.626 63.940 62.300 0.025 0.000 1.038 379 V CB -0.924 30.910 31.823 0.018 0.000 0.651 379 V HN 0.600 nan 8.190 nan 0.000 0.450 380 D N -0.226 120.200 120.400 0.043 0.000 2.315 380 D HA 0.133 4.806 4.640 0.056 0.000 0.275 380 D C 1.057 177.384 176.300 0.046 0.000 1.218 380 D CA -0.054 53.955 54.000 0.015 0.000 1.040 380 D CB -0.103 40.715 40.800 0.030 0.000 1.123 380 D HN 0.309 nan 8.370 nan 0.000 0.541 381 M N -2.713 116.901 119.600 0.023 0.000 2.872 381 M HA -0.219 4.294 4.480 0.056 0.000 0.200 381 M C -1.051 175.267 176.300 0.029 0.000 0.582 381 M CA 0.484 55.854 55.300 0.116 0.000 0.706 381 M CB -0.914 31.809 32.600 0.204 0.000 2.560 381 M HN 0.380 nan 8.290 nan 0.000 0.476 382 R N 1.895 122.367 120.500 -0.046 0.000 2.316 382 R HA 0.200 4.573 4.340 0.056 0.000 0.314 382 R C -0.081 176.140 176.300 -0.132 0.000 1.069 382 R CA 0.115 56.192 56.100 -0.039 0.000 0.959 382 R CB 0.262 30.540 30.300 -0.036 0.000 0.987 382 R HN 0.343 nan 8.270 nan 0.000 0.446 383 D N 1.860 122.196 120.400 -0.106 0.000 3.133 383 D HA -0.119 4.554 4.640 0.056 0.000 0.239 383 D C 0.128 176.183 176.300 -0.409 0.000 1.136 383 D CA 1.484 55.299 54.000 -0.309 0.000 0.898 383 D CB -0.887 39.695 40.800 -0.363 0.000 0.959 383 D HN 0.724 nan 8.370 nan 0.000 0.415 384 S N -0.737 114.782 115.700 -0.301 0.000 2.728 384 S HA 0.097 4.600 4.470 0.056 0.000 0.257 384 S C 0.632 175.204 174.600 -0.046 0.000 1.060 384 S CA -0.303 57.789 58.200 -0.179 0.000 1.126 384 S CB 0.235 63.443 63.200 0.013 0.000 1.099 384 S HN 0.287 nan 8.310 nan 0.000 0.617 385 Y N 0.641 120.991 120.300 0.083 0.000 3.589 385 Y HA -0.163 4.420 4.550 0.054 0.000 0.218 385 Y C 0.243 176.215 175.900 0.121 0.000 1.234 385 Y CA -0.101 58.069 58.100 0.117 0.000 1.576 385 Y CB -2.515 36.019 38.460 0.122 0.000 1.487 385 Y HN 0.519 nan 8.280 nan 0.000 0.616 386 L N 1.256 122.598 121.223 0.200 0.000 2.745 386 L HA 0.367 4.741 4.340 0.056 0.000 0.273 386 L C 1.205 178.173 176.870 0.164 0.000 1.156 386 L CA 1.688 56.627 54.840 0.167 0.000 0.982 386 L CB -0.062 42.078 42.059 0.135 0.000 1.295 386 L HN 0.656 nan 8.230 nan 0.000 0.483 387 G N 3.198 112.112 108.800 0.190 0.000 2.159 387 G HA2 -0.338 3.655 3.960 0.056 0.000 0.170 387 G HA3 -0.338 3.655 3.960 0.056 0.000 0.170 387 G C 0.510 175.570 174.900 0.267 0.000 1.007 387 G CA 0.215 45.423 45.100 0.179 0.000 0.672 387 G HN 0.729 nan 8.290 nan 0.000 0.507 388 Y N 2.308 122.726 120.300 0.196 0.000 2.165 388 Y HA 0.121 4.697 4.550 0.043 0.000 0.286 388 Y C 1.671 177.815 175.900 0.406 0.000 1.155 388 Y CA 2.416 60.699 58.100 0.305 0.000 1.164 388 Y CB 0.158 38.754 38.460 0.226 0.000 0.978 388 Y HN 0.664 nan 8.280 nan 0.000 0.513 389 S N -0.676 115.268 115.700 0.407 0.000 2.548 389 S HA 0.676 5.180 4.470 0.056 0.000 0.286 389 S C -0.577 174.111 174.600 0.147 0.000 1.098 389 S CA -0.200 58.141 58.200 0.235 0.000 0.930 389 S CB 2.178 65.519 63.200 0.237 0.000 1.070 389 S HN 0.326 nan 8.310 nan 0.000 0.480 390 T N -1.103 113.507 114.554 0.093 0.000 2.912 390 T HA 0.810 5.193 4.350 0.056 0.000 0.299 390 T C -1.132 173.600 174.700 0.052 0.000 1.052 390 T CA -0.495 61.647 62.100 0.069 0.000 0.996 390 T CB 1.865 70.772 68.868 0.064 0.000 1.070 390 T HN 0.778 nan 8.240 nan 0.000 0.465 391 E N 1.039 121.265 120.200 0.043 0.000 2.412 391 E HA 0.640 5.023 4.350 0.056 0.000 0.279 391 E C -1.705 174.918 176.600 0.038 0.000 0.984 391 E CA -0.862 55.563 56.400 0.042 0.000 0.788 391 E CB 1.825 31.543 29.700 0.029 0.000 1.277 391 E HN 0.677 nan 8.360 nan 0.000 0.455 392 L N 1.931 123.185 121.223 0.051 0.000 2.469 392 L HA 0.842 5.216 4.340 0.056 0.000 0.253 392 L C -0.335 176.556 176.870 0.035 0.000 1.143 392 L CA 0.424 55.294 54.840 0.051 0.000 0.804 392 L CB 1.422 43.527 42.059 0.076 0.000 1.214 392 L HN 0.675 nan 8.230 nan 0.000 0.476 393 A N 3.100 125.943 122.820 0.037 0.000 3.214 393 A HA 0.277 4.631 4.320 0.056 0.000 0.203 393 A C -0.406 177.227 177.584 0.082 0.000 0.960 393 A CA -0.466 51.592 52.037 0.036 0.000 1.113 393 A CB -0.672 18.316 19.000 -0.020 0.000 1.280 393 A HN 0.678 nan 8.150 nan 0.000 0.573 394 L N 0.269 121.552 121.223 0.100 0.000 2.581 394 L HA 0.221 4.595 4.340 0.056 0.000 0.299 394 L C -0.068 176.942 176.870 0.234 0.000 1.261 394 L CA 0.905 55.825 54.840 0.132 0.000 0.866 394 L CB 0.332 42.447 42.059 0.092 0.000 1.113 394 L HN 0.636 nan 8.230 nan 0.000 0.514 395 W N 4.165 125.466 121.300 0.002 0.000 3.075 395 W HA 0.269 4.963 4.660 0.056 0.000 0.334 395 W C 0.592 177.112 176.519 0.001 0.000 1.243 395 W CA -0.918 56.428 57.345 0.002 0.000 1.170 395 W CB 1.100 30.561 29.460 0.000 0.000 1.452 395 W HN 0.576 nan 8.180 nan 0.000 0.572 396 K N 0.913 120.736 120.400 -0.962 0.000 2.228 396 K HA -0.107 4.247 4.320 0.056 0.000 0.205 396 K C 1.037 177.282 176.600 -0.591 0.000 1.045 396 K CA 2.125 57.911 56.287 -0.835 0.000 0.931 396 K CB -0.450 31.395 32.500 -1.092 0.000 0.727 396 K HN 0.595 nan 8.250 nan 0.000 0.458 397 G N 0.110 108.611 108.800 -0.497 0.000 3.329 397 G HA2 0.259 4.252 3.960 0.056 0.000 0.180 397 G HA3 0.259 4.252 3.960 0.056 0.000 0.180 397 G C -0.110 174.868 174.900 0.130 0.000 1.640 397 G CA 0.088 45.184 45.100 -0.005 0.000 1.018 397 G HN 0.159 nan 8.290 nan 0.000 0.581 398 V N -1.457 118.589 119.914 0.220 0.000 3.036 398 V HA 0.575 4.729 4.120 0.056 0.000 0.308 398 V C -0.008 176.173 176.094 0.145 0.000 1.070 398 V CA -0.899 61.477 62.300 0.125 0.000 1.056 398 V CB 1.011 32.872 31.823 0.064 0.000 1.084 398 V HN 0.555 nan 8.190 nan 0.000 0.471 399 Q N 1.173 121.021 119.800 0.080 0.000 2.584 399 Q HA 0.583 4.956 4.340 0.056 0.000 0.218 399 Q C -0.247 175.772 176.000 0.032 0.000 1.079 399 Q CA 0.200 56.046 55.803 0.072 0.000 1.008 399 Q CB 0.715 29.488 28.738 0.058 0.000 1.267 399 Q HN 0.965 nan 8.270 nan 0.000 0.586 400 S N -0.104 115.605 115.700 0.014 0.000 2.566 400 S HA 0.477 4.981 4.470 0.056 0.000 0.273 400 S C -1.113 173.470 174.600 -0.028 0.000 1.157 400 S CA -0.737 57.437 58.200 -0.043 0.000 0.938 400 S CB 0.731 63.870 63.200 -0.103 0.000 1.087 400 S HN 0.372 nan 8.310 nan 0.000 0.474 401 L N 2.198 123.413 121.223 -0.012 0.000 2.400 401 L HA 0.811 5.184 4.340 0.056 0.000 0.264 401 L C -0.759 176.116 176.870 0.009 0.000 1.061 401 L CA -0.865 53.986 54.840 0.019 0.000 0.799 401 L CB 1.263 43.346 42.059 0.040 0.000 1.240 401 L HN 0.358 nan 8.230 nan 0.000 0.461 402 V N 2.024 121.952 119.914 0.023 0.000 2.851 402 V HA 0.456 4.609 4.120 0.056 0.000 0.307 402 V C -0.602 175.523 176.094 0.051 0.000 1.129 402 V CA -0.520 61.775 62.300 -0.009 0.000 0.932 402 V CB 2.219 33.995 31.823 -0.078 0.000 1.024 402 V HN 0.474 nan 8.190 nan 0.000 0.426 403 L N 2.829 124.100 121.223 0.079 0.000 2.354 403 L HA 0.895 5.268 4.340 0.056 0.000 0.269 403 L C 0.492 177.404 176.870 0.070 0.000 1.005 403 L CA -0.704 54.201 54.840 0.108 0.000 0.819 403 L CB 2.189 44.353 42.059 0.175 0.000 1.311 403 L HN 0.771 nan 8.230 nan 0.000 0.423 404 G N 0.807 109.669 108.800 0.104 0.000 2.335 404 G HA2 0.610 4.603 3.960 0.056 0.000 0.316 404 G HA3 0.610 4.603 3.960 0.056 0.000 0.316 404 G C -0.606 174.358 174.900 0.106 0.000 1.129 404 G CA -0.345 44.799 45.100 0.073 0.000 0.899 404 G HN 0.711 nan 8.290 nan 0.000 0.448 405 A N 4.710 127.555 122.820 0.043 0.000 2.786 405 A HA 0.662 5.016 4.320 0.056 0.000 0.346 405 A C -1.516 176.041 177.584 -0.045 0.000 1.265 405 A CA -1.376 50.692 52.037 0.052 0.000 0.858 405 A CB 1.327 20.378 19.000 0.084 0.000 1.118 405 A HN 0.400 nan 8.150 nan 0.000 0.482 406 P HA -0.144 nan 4.420 nan 0.000 0.218 406 P C 0.519 177.576 177.300 -0.404 0.000 1.146 406 P CA 1.309 64.039 63.100 -0.616 0.000 0.813 406 P CB 0.142 30.979 31.700 -1.439 0.000 0.778 407 R N -2.344 118.035 120.500 -0.202 0.000 2.772 407 R HA 0.194 4.568 4.340 0.056 0.000 0.358 407 R C -0.574 175.637 176.300 -0.149 0.000 1.143 407 R CA -0.582 55.413 56.100 -0.175 0.000 1.153 407 R CB -0.233 29.936 30.300 -0.219 0.000 1.329 407 R HN 0.121 nan 8.270 nan 0.000 0.615 408 Y N 2.297 122.516 120.300 -0.135 0.000 2.531 408 Y HA -0.035 4.547 4.550 0.055 0.000 0.347 408 Y C 0.495 176.347 175.900 -0.081 0.000 1.024 408 Y CA 0.451 58.491 58.100 -0.099 0.000 1.306 408 Y CB 0.210 38.648 38.460 -0.036 0.000 1.149 408 Y HN 0.392 nan 8.280 nan 0.000 0.527 409 Q N 5.752 125.212 119.800 -0.567 0.000 2.494 409 Q HA -0.351 4.023 4.340 0.056 0.000 0.266 409 Q C 0.087 176.081 176.000 -0.009 0.000 1.053 409 Q CA 1.143 56.753 55.803 -0.322 0.000 1.029 409 Q CB -1.599 26.940 28.738 -0.331 0.000 1.423 409 Q HN 1.130 nan 8.270 nan 0.000 0.516 410 H N -4.179 114.836 119.070 -0.092 0.000 3.641 410 H HA -0.218 4.370 4.556 0.053 0.000 0.193 410 H C 1.389 176.720 175.328 0.005 0.000 1.013 410 H CA 1.838 57.860 56.048 -0.043 0.000 1.212 410 H CB -1.798 27.941 29.762 -0.039 0.000 1.089 410 H HN 0.744 nan 8.280 nan 0.000 0.339 411 T N -2.376 112.244 114.554 0.110 0.000 3.053 411 T HA 0.476 4.860 4.350 0.056 0.000 0.236 411 T C 1.204 175.969 174.700 0.108 0.000 0.996 411 T CA 0.935 63.105 62.100 0.117 0.000 1.185 411 T CB 1.463 70.397 68.868 0.110 0.000 0.892 411 T HN 1.073 nan 8.240 nan 0.000 0.432 412 G N 1.178 110.062 108.800 0.139 0.000 2.952 412 G HA2 0.293 4.286 3.960 0.056 0.000 0.431 412 G HA3 0.293 4.286 3.960 0.056 0.000 0.431 412 G C -1.122 173.943 174.900 0.274 0.000 1.325 412 G CA -0.515 44.673 45.100 0.147 0.000 1.146 412 G HN 0.624 nan 8.290 nan 0.000 0.581 413 K N 1.076 121.595 120.400 0.198 0.000 2.340 413 K HA 0.915 5.269 4.320 0.056 0.000 0.244 413 K C -0.133 176.534 176.600 0.113 0.000 0.973 413 K CA -0.400 55.969 56.287 0.137 0.000 0.828 413 K CB 2.156 34.493 32.500 -0.271 0.000 1.226 413 K HN 1.450 nan 8.250 nan 0.000 0.437 414 A N 2.388 125.298 122.820 0.150 0.000 2.343 414 A HA 0.615 4.969 4.320 0.056 0.000 0.316 414 A C -1.375 176.158 177.584 -0.085 0.000 1.104 414 A CA -0.694 51.361 52.037 0.029 0.000 0.768 414 A CB 1.388 20.413 19.000 0.043 0.000 1.213 414 A HN 0.380 nan 8.150 nan 0.000 0.456 415 V N 3.487 123.278 119.914 -0.205 0.000 2.604 415 V HA 0.490 4.643 4.120 0.056 0.000 0.305 415 V C -0.357 175.357 176.094 -0.635 0.000 1.043 415 V CA -0.325 61.703 62.300 -0.454 0.000 0.888 415 V CB 1.649 33.175 31.823 -0.494 0.000 0.995 415 V HN 0.771 nan 8.190 nan 0.000 0.429 416 I N 3.994 124.052 120.570 -0.854 0.000 2.441 416 I HA 0.545 4.748 4.170 0.056 0.000 0.295 416 I C -1.016 174.546 176.117 -0.926 0.000 0.994 416 I CA -0.240 60.593 61.300 -0.777 0.000 1.144 416 I CB 1.593 39.087 38.000 -0.845 0.000 1.314 416 I HN 0.414 nan 8.210 nan 0.000 0.445 417 F N 2.678 122.419 119.950 -0.347 0.000 2.508 417 F HA 0.521 5.081 4.527 0.054 0.000 0.325 417 F C 0.514 176.108 175.800 -0.344 0.000 1.090 417 F CA -0.665 57.133 58.000 -0.337 0.000 0.945 417 F CB 2.185 41.044 39.000 -0.234 0.000 1.156 417 F HN 0.279 nan 8.300 nan 0.000 0.463 418 T N 1.069 115.482 114.554 -0.234 0.000 2.940 418 T HA 0.386 4.770 4.350 0.056 0.000 0.288 418 T C -0.793 173.765 174.700 -0.237 0.000 1.033 418 T CA -0.519 61.423 62.100 -0.262 0.000 1.033 418 T CB 1.172 69.796 68.868 -0.408 0.000 1.079 418 T HN 0.670 nan 8.240 nan 0.000 0.496 419 Q N 2.831 122.441 119.800 -0.316 0.000 2.851 419 Q HA 0.359 4.733 4.340 0.056 0.000 0.331 419 Q C -0.500 175.024 176.000 -0.795 0.000 0.979 419 Q CA -0.492 54.853 55.803 -0.763 0.000 0.955 419 Q CB 1.215 29.525 28.738 -0.714 0.000 1.298 419 Q HN 0.463 nan 8.270 nan 0.000 0.432 420 V N 1.062 120.680 119.914 -0.492 0.000 2.963 420 V HA -0.027 4.126 4.120 0.056 0.000 0.306 420 V C 0.924 176.720 176.094 -0.495 0.000 1.077 420 V CA 0.001 62.124 62.300 -0.294 0.000 1.124 420 V CB 1.565 33.395 31.823 0.011 0.000 0.987 420 V HN 0.599 nan 8.190 nan 0.000 0.487 421 S N 4.644 120.176 115.700 -0.280 0.000 2.811 421 S HA 0.017 4.521 4.470 0.056 0.000 0.325 421 S C 0.871 175.440 174.600 -0.053 0.000 1.224 421 S CA 0.111 58.199 58.200 -0.188 0.000 1.125 421 S CB -0.880 62.287 63.200 -0.055 0.000 0.867 421 S HN 0.773 nan 8.310 nan 0.000 0.512 422 R N 2.716 123.296 120.500 0.132 0.000 3.336 422 R HA -0.158 4.215 4.340 0.056 0.000 0.260 422 R C 0.193 176.675 176.300 0.303 0.000 1.032 422 R CA 0.808 57.144 56.100 0.392 0.000 0.693 422 R CB -1.536 28.892 30.300 0.212 0.000 1.134 422 R HN 0.721 nan 8.270 nan 0.000 0.433 423 Q N -1.448 118.559 119.800 0.346 0.000 1.958 423 Q HA 0.051 4.424 4.340 0.056 0.000 0.154 423 Q C 0.261 176.505 176.000 0.407 0.000 0.549 423 Q CA 0.267 56.227 55.803 0.261 0.000 0.824 423 Q CB 0.159 28.963 28.738 0.110 0.000 1.031 423 Q HN 0.451 nan 8.270 nan 0.000 0.312 424 W N 2.878 124.177 121.300 -0.002 0.000 5.563 424 W HA -0.227 4.467 4.660 0.055 0.000 0.396 424 W C 0.099 176.578 176.519 -0.066 0.000 1.519 424 W CA 0.541 57.853 57.345 -0.056 0.000 0.953 424 W CB -1.344 28.061 29.460 -0.093 0.000 2.691 424 W HN 0.188 nan 8.180 nan 0.000 1.444 425 R N 0.026 120.560 120.500 0.056 0.000 2.603 425 R HA 0.640 5.013 4.340 0.056 0.000 0.231 425 R C 0.629 176.884 176.300 -0.076 0.000 1.263 425 R CA -1.080 55.029 56.100 0.015 0.000 1.102 425 R CB 0.653 30.964 30.300 0.018 0.000 1.527 425 R HN 0.081 nan 8.270 nan 0.000 0.554 426 M N 1.354 120.878 119.600 -0.127 0.000 2.233 426 M HA 0.133 4.646 4.480 0.056 0.000 0.355 426 M C 0.147 176.060 176.300 -0.646 0.000 1.191 426 M CA 0.121 55.227 55.300 -0.324 0.000 1.101 426 M CB 1.075 33.512 32.600 -0.273 0.000 1.592 426 M HN 0.416 nan 8.290 nan 0.000 0.461 427 K N 3.228 123.126 120.400 -0.836 0.000 1.995 427 K HA 0.324 4.678 4.320 0.056 0.000 0.207 427 K C 0.422 176.676 176.600 -0.576 0.000 1.041 427 K CA 0.992 56.666 56.287 -1.022 0.000 0.942 427 K CB 0.076 32.010 32.500 -0.944 0.000 0.731 427 K HN 0.790 nan 8.250 nan 0.000 0.439 428 A N 0.663 123.136 122.820 -0.578 0.000 2.483 428 A HA 0.462 4.815 4.320 0.056 0.000 0.306 428 A C -1.752 175.575 177.584 -0.430 0.000 1.137 428 A CA -0.812 51.005 52.037 -0.366 0.000 0.626 428 A CB 1.106 20.000 19.000 -0.177 0.000 1.352 428 A HN 0.291 nan 8.150 nan 0.000 0.508 429 E N -1.650 118.453 120.200 -0.162 0.000 2.422 429 E HA 0.575 4.959 4.350 0.056 0.000 0.280 429 E C -1.435 175.259 176.600 0.158 0.000 1.091 429 E CA -0.736 55.604 56.400 -0.099 0.000 0.849 429 E CB 1.512 31.083 29.700 -0.215 0.000 1.353 429 E HN 1.862 nan 8.360 nan 0.000 0.449 430 V N -1.697 118.313 119.914 0.160 0.000 2.711 430 V HA 0.587 4.741 4.120 0.056 0.000 0.304 430 V C 0.187 176.273 176.094 -0.013 0.000 1.097 430 V CA -0.234 62.133 62.300 0.112 0.000 0.906 430 V CB 0.768 32.696 31.823 0.176 0.000 1.015 430 V HN 0.975 nan 8.190 nan 0.000 0.427 431 T N 2.378 116.867 114.554 -0.108 0.000 2.680 431 T HA 0.543 4.926 4.350 0.056 0.000 0.314 431 T C 0.865 175.400 174.700 -0.275 0.000 1.045 431 T CA 0.399 62.417 62.100 -0.136 0.000 1.025 431 T CB 0.649 69.479 68.868 -0.063 0.000 1.000 431 T HN 1.693 nan 8.240 nan 0.000 0.535 432 G N -1.142 107.537 108.800 -0.202 0.000 2.588 432 G HA2 0.411 4.404 3.960 0.056 0.000 0.281 432 G HA3 0.411 4.404 3.960 0.056 0.000 0.281 432 G C 0.792 175.457 174.900 -0.390 0.000 1.236 432 G CA 0.017 44.875 45.100 -0.403 0.000 0.969 432 G HN 0.866 nan 8.290 nan 0.000 0.504 433 T N -2.065 112.227 114.554 -0.436 0.000 3.039 433 T HA 0.174 4.558 4.350 0.056 0.000 0.250 433 T C 0.754 175.394 174.700 -0.100 0.000 1.052 433 T CA 1.003 62.917 62.100 -0.310 0.000 1.125 433 T CB -0.239 68.353 68.868 -0.460 0.000 0.908 433 T HN 0.568 nan 8.240 nan 0.000 0.473 434 Q N 0.178 119.962 119.800 -0.027 0.000 2.456 434 Q HA 0.459 4.832 4.340 0.056 0.000 0.284 434 Q C -1.435 174.633 176.000 0.114 0.000 1.061 434 Q CA -0.869 54.998 55.803 0.107 0.000 0.799 434 Q CB 2.041 30.966 28.738 0.311 0.000 1.445 434 Q HN 0.417 nan 8.270 nan 0.000 0.411 435 I N 2.582 123.211 120.570 0.098 0.000 2.533 435 I HA 0.257 4.460 4.170 0.056 0.000 0.284 435 I C 0.970 177.181 176.117 0.157 0.000 1.109 435 I CA 1.941 63.307 61.300 0.111 0.000 1.412 435 I CB 0.122 38.166 38.000 0.075 0.000 1.396 435 I HN 1.034 nan 8.210 nan 0.000 0.543 436 G N 4.113 113.022 108.800 0.183 0.000 2.234 436 G HA2 -0.399 3.594 3.960 0.056 0.000 0.260 436 G HA3 -0.399 3.594 3.960 0.056 0.000 0.260 436 G C 1.079 176.177 174.900 0.332 0.000 0.987 436 G CA 0.801 46.041 45.100 0.235 0.000 0.625 436 G HN 0.923 nan 8.290 nan 0.000 0.532 437 S N -1.012 114.885 115.700 0.328 0.000 2.407 437 S HA -0.188 4.315 4.470 0.056 0.000 0.235 437 S C 1.250 176.108 174.600 0.429 0.000 1.036 437 S CA 1.881 60.327 58.200 0.409 0.000 1.013 437 S CB -0.329 63.047 63.200 0.292 0.000 0.820 437 S HN 1.886 nan 8.310 nan 0.000 0.476 438 Y N -0.621 119.796 120.300 0.195 0.000 3.457 438 Y HA -0.211 4.368 4.550 0.048 0.000 0.215 438 Y C -0.183 175.773 175.900 0.093 0.000 1.435 438 Y CA -0.015 58.168 58.100 0.138 0.000 1.569 438 Y CB -2.056 36.506 38.460 0.171 0.000 1.518 438 Y HN 0.477 nan 8.280 nan 0.000 0.580 439 F N 1.682 121.639 119.950 0.011 0.000 2.490 439 F HA 0.457 5.018 4.527 0.056 0.000 0.357 439 F C 1.044 176.816 175.800 -0.047 0.000 1.166 439 F CA 1.502 59.481 58.000 -0.035 0.000 1.116 439 F CB 0.304 39.251 39.000 -0.087 0.000 1.171 439 F HN 0.344 nan 8.300 nan 0.000 0.576 440 G N 3.184 111.741 108.800 -0.404 0.000 3.272 440 G HA2 -0.073 3.921 3.960 0.056 0.000 0.219 440 G HA3 -0.073 3.921 3.960 0.056 0.000 0.219 440 G C 0.980 175.819 174.900 -0.102 0.000 0.952 440 G CA 0.057 44.984 45.100 -0.289 0.000 0.833 440 G HN 0.979 nan 8.290 nan 0.000 0.608 441 A N 0.785 123.611 122.820 0.010 0.000 1.848 441 A HA 0.319 4.672 4.320 0.056 0.000 0.217 441 A C 1.577 179.235 177.584 0.123 0.000 1.220 441 A CA 2.362 54.491 52.037 0.154 0.000 0.645 441 A CB -0.649 18.444 19.000 0.156 0.000 0.842 441 A HN 1.037 nan 8.150 nan 0.000 0.451 442 S N -1.462 114.237 115.700 -0.002 0.000 2.549 442 S HA 0.700 5.204 4.470 0.056 0.000 0.297 442 S C -0.990 173.571 174.600 -0.065 0.000 1.115 442 S CA -0.391 57.800 58.200 -0.015 0.000 1.059 442 S CB 1.459 64.622 63.200 -0.062 0.000 1.046 442 S HN 0.319 nan 8.310 nan 0.000 0.506 443 L N 1.523 122.727 121.223 -0.032 0.000 2.455 443 L HA 0.600 4.973 4.340 0.056 0.000 0.264 443 L C -1.132 175.726 176.870 -0.020 0.000 0.968 443 L CA -0.269 54.546 54.840 -0.042 0.000 0.827 443 L CB 2.075 44.116 42.059 -0.029 0.000 1.317 443 L HN 0.826 nan 8.230 nan 0.000 0.407 444 C N 2.256 121.543 119.300 -0.022 0.000 2.522 444 C HA 0.658 5.151 4.460 0.056 0.000 0.344 444 C C -0.026 174.968 174.990 0.006 0.000 1.104 444 C CA -0.702 58.313 59.018 -0.006 0.000 1.317 444 C CB 0.449 28.180 27.740 -0.016 0.000 1.896 444 C HN 0.864 nan 8.230 nan 0.000 0.443 445 S N 4.846 120.558 115.700 0.019 0.000 2.455 445 S HA 0.567 5.071 4.470 0.056 0.000 0.278 445 S C -0.306 174.315 174.600 0.035 0.000 1.216 445 S CA -0.415 57.803 58.200 0.030 0.000 1.055 445 S CB 1.165 64.385 63.200 0.034 0.000 0.939 445 S HN 1.056 nan 8.310 nan 0.000 0.494 446 V N 2.004 121.941 119.914 0.038 0.000 3.046 446 V HA 0.546 4.699 4.120 0.056 0.000 0.316 446 V C -1.225 174.902 176.094 0.054 0.000 1.104 446 V CA -0.888 61.438 62.300 0.042 0.000 1.006 446 V CB 2.187 34.031 31.823 0.036 0.000 1.058 446 V HN 1.011 nan 8.190 nan 0.000 0.440 447 D N 3.325 123.760 120.400 0.058 0.000 2.458 447 D HA 0.145 4.819 4.640 0.056 0.000 0.258 447 D C 0.838 177.179 176.300 0.069 0.000 1.134 447 D CA 0.024 54.063 54.000 0.065 0.000 0.915 447 D CB 1.535 42.371 40.800 0.060 0.000 1.028 447 D HN 0.344 nan 8.370 nan 0.000 0.508 448 V N 3.586 123.543 119.914 0.072 0.000 2.363 448 V HA -0.292 3.862 4.120 0.056 0.000 0.254 448 V C 0.846 176.989 176.094 0.081 0.000 1.074 448 V CA 2.862 65.210 62.300 0.080 0.000 1.069 448 V CB -0.058 31.812 31.823 0.079 0.000 0.659 448 V HN 0.680 nan 8.190 nan 0.000 0.455 449 D N -1.753 118.691 120.400 0.074 0.000 2.540 449 D HA 0.263 4.936 4.640 0.056 0.000 0.229 449 D C 0.615 176.952 176.300 0.061 0.000 1.258 449 D CA 0.468 54.510 54.000 0.069 0.000 1.158 449 D CB 0.571 41.409 40.800 0.064 0.000 1.178 449 D HN 0.132 nan 8.370 nan 0.000 0.541 450 S N -1.127 114.605 115.700 0.052 0.000 3.101 450 S HA 0.103 4.606 4.470 0.056 0.000 0.252 450 S C -0.089 174.530 174.600 0.032 0.000 0.920 450 S CA -0.152 58.074 58.200 0.043 0.000 1.158 450 S CB 0.060 63.284 63.200 0.040 0.000 1.125 450 S HN 0.526 nan 8.310 nan 0.000 0.608 451 D N 1.478 121.899 120.400 0.035 0.000 2.378 451 D HA 0.133 4.806 4.640 0.056 0.000 0.227 451 D C 1.532 177.838 176.300 0.009 0.000 1.012 451 D CA 1.081 55.093 54.000 0.020 0.000 0.905 451 D CB -0.524 40.291 40.800 0.025 0.000 0.895 451 D HN 0.467 nan 8.370 nan 0.000 0.532 452 G N -0.541 108.273 108.800 0.024 0.000 2.253 452 G HA2 -0.272 3.721 3.960 0.056 0.000 0.251 452 G HA3 -0.272 3.721 3.960 0.056 0.000 0.251 452 G C 0.306 175.226 174.900 0.034 0.000 0.998 452 G CA 0.313 45.425 45.100 0.020 0.000 0.621 452 G HN 0.442 nan 8.290 nan 0.000 0.524 453 S N 1.949 117.678 115.700 0.049 0.000 2.410 453 S HA 0.535 5.039 4.470 0.056 0.000 0.304 453 S C 0.504 175.214 174.600 0.185 0.000 1.095 453 S CA 0.057 58.328 58.200 0.119 0.000 1.089 453 S CB 1.368 64.624 63.200 0.094 0.000 0.968 453 S HN 0.451 nan 8.310 nan 0.000 0.480 454 T N 3.806 118.468 114.554 0.180 0.000 2.819 454 T HA -0.056 4.328 4.350 0.056 0.000 0.282 454 T C 0.642 175.425 174.700 0.139 0.000 1.013 454 T CA 0.467 62.648 62.100 0.134 0.000 1.159 454 T CB 0.132 69.064 68.868 0.106 0.000 1.007 454 T HN 0.513 nan 8.240 nan 0.000 0.514 455 D N 1.311 121.772 120.400 0.100 0.000 2.338 455 D HA 0.224 4.898 4.640 0.056 0.000 0.224 455 D C 0.568 176.899 176.300 0.051 0.000 0.967 455 D CA 0.592 54.643 54.000 0.085 0.000 0.896 455 D CB 0.254 41.103 40.800 0.081 0.000 1.028 455 D HN 0.545 nan 8.370 nan 0.000 0.493 456 L N -2.831 118.422 121.223 0.049 0.000 2.510 456 L HA 0.787 5.161 4.340 0.056 0.000 0.252 456 L C -1.090 175.809 176.870 0.048 0.000 1.091 456 L CA -1.069 53.793 54.840 0.037 0.000 0.888 456 L CB 2.054 44.124 42.059 0.018 0.000 1.507 456 L HN -0.343 nan 8.230 nan 0.000 0.407 457 V N 0.911 120.857 119.914 0.053 0.000 2.817 457 V HA 0.497 4.651 4.120 0.056 0.000 0.303 457 V C -0.490 175.624 176.094 0.033 0.000 1.151 457 V CA -0.329 62.006 62.300 0.058 0.000 0.929 457 V CB 1.898 33.788 31.823 0.111 0.000 1.030 457 V HN 0.725 nan 8.190 nan 0.000 0.427 458 L N 4.787 126.007 121.223 -0.004 0.000 2.387 458 L HA 0.689 5.062 4.340 0.056 0.000 0.266 458 L C -0.601 176.223 176.870 -0.077 0.000 1.059 458 L CA -0.549 54.264 54.840 -0.045 0.000 0.801 458 L CB 1.597 43.610 42.059 -0.076 0.000 1.223 458 L HN 0.446 nan 8.230 nan 0.000 0.456 459 I N -0.319 120.173 120.570 -0.130 0.000 2.894 459 I HA 0.534 4.737 4.170 0.056 0.000 0.302 459 I C -0.126 175.834 176.117 -0.260 0.000 1.188 459 I CA -0.577 60.569 61.300 -0.257 0.000 1.014 459 I CB 2.372 40.087 38.000 -0.475 0.000 1.242 459 I HN 0.607 nan 8.210 nan 0.000 0.430 460 G N 2.227 110.860 108.800 -0.279 0.000 2.453 460 G HA2 0.763 4.757 3.960 0.056 0.000 0.323 460 G HA3 0.763 4.757 3.960 0.056 0.000 0.323 460 G C -0.888 173.925 174.900 -0.145 0.000 1.198 460 G CA -0.561 44.416 45.100 -0.204 0.000 0.959 460 G HN 0.832 nan 8.290 nan 0.000 0.482 461 A N 2.042 124.818 122.820 -0.073 0.000 3.346 461 A HA 0.591 4.944 4.320 0.056 0.000 0.222 461 A C -1.994 175.606 177.584 0.027 0.000 1.138 461 A CA -0.440 51.627 52.037 0.051 0.000 1.074 461 A CB 0.883 19.952 19.000 0.115 0.000 1.347 461 A HN 0.340 nan 8.150 nan 0.000 0.751 462 P HA -0.160 nan 4.420 nan 0.000 0.218 462 P C 0.302 177.438 177.300 -0.274 0.000 1.146 462 P CA 1.422 64.332 63.100 -0.318 0.000 0.820 462 P CB -0.086 31.223 31.700 -0.651 0.000 0.778 463 H N -2.401 116.763 119.070 0.158 0.000 2.375 463 H HA 0.304 4.894 4.556 0.057 0.000 0.230 463 H C -0.598 174.950 175.328 0.367 0.000 1.511 463 H CA -0.535 55.629 56.048 0.193 0.000 1.215 463 H CB -0.514 29.307 29.762 0.097 0.000 1.580 463 H HN 0.171 nan 8.280 nan 0.000 0.537 464 Y N 2.137 122.630 120.300 0.322 0.000 2.576 464 Y HA 0.494 5.077 4.550 0.054 0.000 0.346 464 Y C -1.420 174.747 175.900 0.444 0.000 1.018 464 Y CA -1.399 56.893 58.100 0.320 0.000 1.050 464 Y CB 1.650 40.225 38.460 0.191 0.000 1.280 464 Y HN 0.266 nan 8.280 nan 0.000 0.474 465 Y N 0.553 120.317 120.300 -0.894 0.000 3.035 465 Y HA 0.381 4.964 4.550 0.054 0.000 0.388 465 Y C -0.593 174.941 175.900 -0.610 0.000 1.268 465 Y CA -0.638 57.096 58.100 -0.609 0.000 1.128 465 Y CB 0.430 38.794 38.460 -0.160 0.000 1.820 465 Y HN 0.569 nan 8.280 nan 0.000 0.432 466 E N -1.571 118.487 120.200 -0.237 0.000 2.756 466 E HA 0.182 4.565 4.350 0.056 0.000 0.218 466 E C 0.335 176.979 176.600 0.073 0.000 1.042 466 E CA 0.143 56.413 56.400 -0.216 0.000 1.713 466 E CB 0.272 29.880 29.700 -0.152 0.000 2.443 466 E HN 0.470 nan 8.360 nan 0.000 1.080 467 Q N 0.247 120.131 119.800 0.140 0.000 2.330 467 Q HA 0.252 4.626 4.340 0.056 0.000 0.254 467 Q C -0.157 175.904 176.000 0.100 0.000 0.777 467 Q CA 0.866 56.744 55.803 0.124 0.000 0.972 467 Q CB 2.119 30.895 28.738 0.063 0.000 1.236 467 Q HN 0.091 nan 8.270 nan 0.000 0.508 468 T N 1.473 116.091 114.554 0.107 0.000 2.840 468 T HA 0.421 4.804 4.350 0.056 0.000 0.287 468 T C 0.082 174.847 174.700 0.108 0.000 0.991 468 T CA -0.439 61.696 62.100 0.059 0.000 0.964 468 T CB 1.604 70.504 68.868 0.053 0.000 0.954 468 T HN -0.050 nan 8.240 nan 0.000 0.438 469 R N 2.021 122.551 120.500 0.050 0.000 4.263 469 R HA 0.198 4.572 4.340 0.056 0.000 0.248 469 R C 1.901 178.327 176.300 0.209 0.000 1.796 469 R CA -0.277 55.904 56.100 0.136 0.000 1.518 469 R CB -0.317 30.026 30.300 0.072 0.000 1.342 469 R HN 0.863 nan 8.270 nan 0.000 0.706 470 G N 0.147 109.065 108.800 0.197 0.000 2.446 470 G HA2 -0.023 3.971 3.960 0.056 0.000 0.217 470 G HA3 -0.023 3.971 3.960 0.056 0.000 0.217 470 G C 0.685 175.770 174.900 0.308 0.000 1.168 470 G CA 0.854 46.094 45.100 0.233 0.000 0.771 470 G HN 0.613 nan 8.290 nan 0.000 0.551 471 G N -2.105 106.898 108.800 0.338 0.000 2.340 471 G HA2 0.441 4.435 3.960 0.056 0.000 0.282 471 G HA3 0.441 4.435 3.960 0.056 0.000 0.282 471 G C -1.805 173.362 174.900 0.446 0.000 1.312 471 G CA 0.125 45.448 45.100 0.371 0.000 0.942 471 G HN 0.765 nan 8.290 nan 0.000 0.495 472 Q N -1.091 118.909 119.800 0.335 0.000 2.429 472 Q HA 0.569 4.942 4.340 0.056 0.000 0.247 472 Q C -1.495 174.529 176.000 0.041 0.000 0.915 472 Q CA -0.485 55.493 55.803 0.291 0.000 0.971 472 Q CB 1.945 30.876 28.738 0.322 0.000 1.468 472 Q HN 1.142 nan 8.270 nan 0.000 0.439 473 V N 2.275 122.197 119.914 0.012 0.000 2.555 473 V HA 0.828 4.981 4.120 0.056 0.000 0.302 473 V C -0.585 175.530 176.094 0.035 0.000 1.038 473 V CA -0.677 61.552 62.300 -0.118 0.000 0.887 473 V CB 2.002 33.617 31.823 -0.346 0.000 0.991 473 V HN 0.727 nan 8.190 nan 0.000 0.434 474 S N 3.410 119.127 115.700 0.028 0.000 2.498 474 S HA 0.558 5.061 4.470 0.056 0.000 0.317 474 S C -0.816 173.817 174.600 0.055 0.000 1.090 474 S CA -0.468 57.803 58.200 0.119 0.000 1.089 474 S CB 1.526 64.891 63.200 0.276 0.000 0.997 474 S HN 0.708 nan 8.310 nan 0.000 0.470 475 V N 5.953 125.900 119.914 0.055 0.000 2.498 475 V HA 0.589 4.742 4.120 0.056 0.000 0.279 475 V C -0.775 175.300 176.094 -0.031 0.000 1.048 475 V CA -0.093 62.213 62.300 0.009 0.000 0.967 475 V CB 0.312 32.143 31.823 0.014 0.000 0.988 475 V HN 1.074 nan 8.190 nan 0.000 0.473 476 c N 7.742 126.297 118.600 -0.075 0.000 3.078 476 c HA 0.401 5.004 4.570 0.056 0.000 0.320 476 c C -2.429 171.537 174.090 -0.206 0.000 1.039 476 c CA -1.073 55.105 56.329 -0.252 0.000 1.386 476 c CB 0.752 43.092 42.510 -0.283 0.000 1.836 476 c HN 0.758 nan 8.230 nan 0.000 0.514 477 P HA 0.084 nan 4.420 nan 0.000 0.272 477 P C -0.259 176.994 177.300 -0.079 0.000 1.243 477 P CA -0.270 62.724 63.100 -0.177 0.000 0.803 477 P CB 0.520 32.083 31.700 -0.228 0.000 0.974 478 L N 1.707 122.939 121.223 0.015 0.000 2.719 478 L HA 0.444 4.818 4.340 0.056 0.000 0.236 478 L C -2.394 174.445 176.870 -0.053 0.000 1.221 478 L CA -2.413 52.499 54.840 0.120 0.000 1.048 478 L CB -0.569 41.487 42.059 -0.005 0.000 1.364 478 L HN 0.151 nan 8.230 nan 0.000 0.447 479 P HA 0.077 nan 4.420 nan 0.000 0.264 479 P C -0.755 176.498 177.300 -0.078 0.000 1.179 479 P CA 0.122 63.136 63.100 -0.143 0.000 0.763 479 P CB 0.364 31.829 31.700 -0.390 0.000 0.806 480 R N 2.078 122.520 120.500 -0.096 0.000 2.346 480 R HA 0.652 5.026 4.340 0.056 0.000 0.311 480 R C -0.322 175.972 176.300 -0.010 0.000 0.983 480 R CA -0.067 55.954 56.100 -0.131 0.000 0.880 480 R CB 0.351 30.461 30.300 -0.317 0.000 1.100 480 R HN 0.701 nan 8.270 nan 0.000 0.453 481 G N 4.308 113.136 108.800 0.047 0.000 2.491 481 G HA2 -0.068 3.926 3.960 0.056 0.000 0.508 481 G HA3 -0.068 3.926 3.960 0.056 0.000 0.508 481 G C -0.980 174.036 174.900 0.193 0.000 1.143 481 G CA -0.812 44.312 45.100 0.041 0.000 1.277 481 G HN 0.359 nan 8.290 nan 0.000 0.599 482 W N 1.830 123.107 121.300 -0.039 0.000 2.055 482 W HA 0.446 5.141 4.660 0.058 0.000 0.356 482 W C 1.761 178.287 176.519 0.012 0.000 1.331 482 W CA 0.204 57.523 57.345 -0.044 0.000 1.364 482 W CB -0.167 29.253 29.460 -0.066 0.000 1.274 482 W HN 0.904 nan 8.180 nan 0.000 0.645 483 R N -1.207 119.447 120.500 0.257 0.000 3.922 483 R HA -0.236 4.137 4.340 0.056 0.000 0.447 483 R C 0.296 176.710 176.300 0.191 0.000 1.035 483 R CA 1.408 57.614 56.100 0.176 0.000 1.289 483 R CB -1.202 29.194 30.300 0.161 0.000 1.906 483 R HN 0.493 nan 8.270 nan 0.000 0.540 484 R N -0.098 120.554 120.500 0.253 0.000 2.510 484 R HA 0.363 4.736 4.340 0.056 0.000 0.287 484 R C -2.077 174.521 176.300 0.497 0.000 1.084 484 R CA -0.596 55.716 56.100 0.353 0.000 0.934 484 R CB 1.250 31.755 30.300 0.342 0.000 1.201 484 R HN 0.125 nan 8.270 nan 0.000 0.431 485 W N 6.721 128.188 121.300 0.278 0.000 4.020 485 W HA 0.346 5.039 4.660 0.055 0.000 0.293 485 W C -2.258 174.355 176.519 0.156 0.000 1.236 485 W CA -0.665 56.672 57.345 -0.013 0.000 1.265 485 W CB 0.865 30.226 29.460 -0.166 0.000 1.248 485 W HN 0.562 nan 8.180 nan 0.000 0.501 486 W N 4.869 125.785 121.300 -0.640 0.000 2.683 486 W HA 0.609 5.302 4.660 0.056 0.000 0.329 486 W C -0.426 175.583 176.519 -0.850 0.000 1.037 486 W CA -1.127 55.882 57.345 -0.559 0.000 1.232 486 W CB 0.660 29.939 29.460 -0.301 0.000 1.390 486 W HN 0.276 nan 8.180 nan 0.000 0.465 487 c N 2.061 120.307 118.600 -0.589 0.000 2.539 487 c HA -0.055 4.548 4.570 0.056 0.000 0.271 487 c C 0.936 174.937 174.090 -0.148 0.000 1.412 487 c CA 0.648 56.709 56.329 -0.446 0.000 1.729 487 c CB -1.799 40.602 42.510 -0.180 0.000 1.739 487 c HN 0.720 nan 8.230 nan 0.000 0.570 488 D N 0.589 120.987 120.400 -0.004 0.000 2.970 488 D HA 0.317 4.991 4.640 0.056 0.000 0.282 488 D C 0.574 177.024 176.300 0.250 0.000 1.291 488 D CA -0.033 54.031 54.000 0.106 0.000 0.967 488 D CB 0.093 40.933 40.800 0.066 0.000 1.017 488 D HN 0.285 nan 8.370 nan 0.000 0.512 489 A N 1.674 124.614 122.820 0.200 0.000 3.074 489 A HA 0.478 4.831 4.320 0.056 0.000 0.251 489 A C 1.305 178.954 177.584 0.109 0.000 1.695 489 A CA -0.141 52.012 52.037 0.193 0.000 1.343 489 A CB -0.794 18.270 19.000 0.107 0.000 1.078 489 A HN 0.393 nan 8.150 nan 0.000 0.644 490 V N -1.605 118.371 119.914 0.103 0.000 0.677 490 V HA -0.379 3.775 4.120 0.056 0.000 0.092 490 V C 1.185 177.349 176.094 0.116 0.000 0.999 490 V CA 1.988 64.338 62.300 0.082 0.000 3.144 490 V CB -2.122 29.728 31.823 0.044 0.000 0.313 490 V HN 1.224 nan 8.190 nan 0.000 0.280 491 L N 0.712 121.969 121.223 0.057 0.000 2.600 491 L HA 0.739 5.112 4.340 0.056 0.000 0.221 491 L C -0.304 176.626 176.870 0.099 0.000 1.197 491 L CA 0.137 54.943 54.840 -0.056 0.000 0.838 491 L CB 0.210 42.229 42.059 -0.067 0.000 1.474 491 L HN 1.119 nan 8.230 nan 0.000 0.514 492 Y N -2.795 117.547 120.300 0.069 0.000 2.246 492 Y HA 0.619 5.203 4.550 0.056 0.000 0.315 492 Y C -0.218 175.751 175.900 0.115 0.000 1.251 492 Y CA -1.105 57.036 58.100 0.069 0.000 1.212 492 Y CB -0.358 38.147 38.460 0.075 0.000 1.277 492 Y HN 0.935 nan 8.280 nan 0.000 0.398 493 G N 2.339 111.244 108.800 0.175 0.000 2.544 493 G HA2 0.509 4.502 3.960 0.056 0.000 0.242 493 G HA3 0.509 4.502 3.960 0.056 0.000 0.242 493 G C -0.415 174.748 174.900 0.438 0.000 1.247 493 G CA 0.003 45.239 45.100 0.228 0.000 0.840 493 G HN 0.821 nan 8.290 nan 0.000 0.578 494 E N -0.546 119.781 120.200 0.211 0.000 3.611 494 E HA 0.543 4.927 4.350 0.056 0.000 0.111 494 E C -0.908 175.369 176.600 -0.539 0.000 1.120 494 E CA -0.703 55.718 56.400 0.034 0.000 0.766 494 E CB 1.133 30.955 29.700 0.204 0.000 1.996 494 E HN 0.404 nan 8.360 nan 0.000 0.453 495 Q N -0.734 118.932 119.800 -0.223 0.000 2.939 495 Q HA 0.332 4.706 4.340 0.056 0.000 0.274 495 Q C -1.768 174.249 176.000 0.027 0.000 0.941 495 Q CA 0.125 55.824 55.803 -0.174 0.000 0.824 495 Q CB 1.330 29.867 28.738 -0.335 0.000 1.779 495 Q HN 0.566 nan 8.270 nan 0.000 0.470 496 G N 1.866 110.715 108.800 0.082 0.000 3.343 496 G HA2 0.466 4.460 3.960 0.056 0.000 0.279 496 G HA3 0.466 4.460 3.960 0.056 0.000 0.279 496 G C -0.996 174.015 174.900 0.184 0.000 0.919 496 G CA 0.372 45.539 45.100 0.111 0.000 1.812 496 G HN 0.613 nan 8.290 nan 0.000 0.584 497 H N 0.857 119.964 119.070 0.063 0.000 3.288 497 H HA 0.331 4.920 4.556 0.055 0.000 0.337 497 H C -2.776 172.611 175.328 0.099 0.000 1.363 497 H CA -0.890 55.203 56.048 0.074 0.000 1.641 497 H CB 1.806 31.626 29.762 0.098 0.000 2.077 497 H HN 0.208 nan 8.280 nan 0.000 0.522 498 P HA -0.139 nan 4.420 nan 0.000 0.271 498 P C -0.204 177.133 177.300 0.062 0.000 1.228 498 P CA 0.297 63.336 63.100 -0.101 0.000 0.797 498 P CB 0.383 31.915 31.700 -0.280 0.000 0.914 499 W N -0.277 120.994 121.300 -0.048 0.000 6.719 499 W HA -0.122 4.578 4.660 0.066 0.000 0.406 499 W C 1.298 177.891 176.519 0.123 0.000 1.551 499 W CA 1.265 58.624 57.345 0.023 0.000 1.103 499 W CB -2.462 26.989 29.460 -0.014 0.000 2.735 499 W HN 0.551 nan 8.180 nan 0.000 1.586 500 G N -0.943 108.075 108.800 0.364 0.000 2.833 500 G HA2 0.089 4.082 3.960 0.056 0.000 0.210 500 G HA3 0.089 4.082 3.960 0.056 0.000 0.210 500 G C 0.926 175.996 174.900 0.284 0.000 1.139 500 G CA 0.033 45.360 45.100 0.377 0.000 0.771 500 G HN 0.247 nan 8.290 nan 0.000 0.535 501 R N -0.869 119.754 120.500 0.205 0.000 3.209 501 R HA -0.195 4.178 4.340 0.056 0.000 0.252 501 R C -0.710 175.680 176.300 0.150 0.000 0.958 501 R CA 0.236 56.379 56.100 0.070 0.000 0.651 501 R CB -2.231 28.080 30.300 0.019 0.000 1.142 501 R HN 0.428 nan 8.270 nan 0.000 0.441 502 F N 0.585 120.575 119.950 0.066 0.000 2.413 502 F HA 0.409 4.970 4.527 0.056 0.000 0.359 502 F C 1.253 177.065 175.800 0.019 0.000 1.122 502 F CA 1.048 59.096 58.000 0.080 0.000 1.160 502 F CB 1.044 40.091 39.000 0.079 0.000 1.146 502 F HN 0.365 nan 8.300 nan 0.000 0.514 503 G N 3.537 112.015 108.800 -0.537 0.000 2.164 503 G HA2 -0.201 3.792 3.960 0.056 0.000 0.154 503 G HA3 -0.201 3.792 3.960 0.056 0.000 0.154 503 G C 0.805 175.554 174.900 -0.253 0.000 1.014 503 G CA 0.009 44.803 45.100 -0.510 0.000 0.683 503 G HN 1.131 nan 8.290 nan 0.000 0.500 504 A N -0.522 122.197 122.820 -0.168 0.000 1.940 504 A HA 0.625 4.978 4.320 0.056 0.000 0.219 504 A C 1.589 179.124 177.584 -0.081 0.000 1.176 504 A CA 2.626 54.597 52.037 -0.111 0.000 0.631 504 A CB -0.167 18.793 19.000 -0.066 0.000 0.814 504 A HN 2.309 nan 8.150 nan 0.000 0.446 505 A N -2.297 120.469 122.820 -0.091 0.000 2.588 505 A HA 0.724 5.077 4.320 0.056 0.000 0.290 505 A C -1.506 176.029 177.584 -0.082 0.000 1.136 505 A CA -0.106 51.889 52.037 -0.071 0.000 0.681 505 A CB 0.746 19.714 19.000 -0.054 0.000 1.282 505 A HN 1.498 nan 8.150 nan 0.000 0.421 506 L N -3.300 117.889 121.223 -0.057 0.000 2.948 506 L HA 0.820 5.193 4.340 0.056 0.000 0.248 506 L C -0.674 176.182 176.870 -0.023 0.000 0.977 506 L CA -0.183 54.629 54.840 -0.046 0.000 1.002 506 L CB 1.045 43.054 42.059 -0.084 0.000 1.519 506 L HN 1.173 nan 8.230 nan 0.000 0.422 507 T N -0.035 114.517 114.554 -0.005 0.000 2.894 507 T HA 0.630 5.013 4.350 0.056 0.000 0.309 507 T C -1.278 173.433 174.700 0.018 0.000 1.208 507 T CA -0.285 61.820 62.100 0.009 0.000 1.016 507 T CB 2.128 71.005 68.868 0.015 0.000 1.192 507 T HN 1.374 nan 8.240 nan 0.000 0.491 508 V N 5.637 125.564 119.914 0.023 0.000 2.585 508 V HA 0.292 4.445 4.120 0.056 0.000 0.296 508 V C 0.770 176.883 176.094 0.032 0.000 1.035 508 V CA 0.267 62.584 62.300 0.030 0.000 1.084 508 V CB 0.797 32.639 31.823 0.032 0.000 0.953 508 V HN 0.867 nan 8.190 nan 0.000 0.483 509 L N 7.124 128.369 121.223 0.037 0.000 2.388 509 L HA 0.667 5.040 4.340 0.056 0.000 0.209 509 L C 1.023 177.913 176.870 0.034 0.000 1.061 509 L CA 1.881 56.742 54.840 0.034 0.000 0.834 509 L CB -0.436 41.644 42.059 0.035 0.000 1.029 509 L HN 1.194 nan 8.230 nan 0.000 0.473 510 G N -0.309 108.517 108.800 0.043 0.000 2.512 510 G HA2 -0.222 3.772 3.960 0.056 0.000 0.210 510 G HA3 -0.222 3.772 3.960 0.056 0.000 0.210 510 G C -0.980 173.953 174.900 0.056 0.000 1.295 510 G CA -0.075 45.053 45.100 0.046 0.000 0.934 510 G HN 0.321 nan 8.290 nan 0.000 0.554 511 D N 0.859 121.291 120.400 0.054 0.000 2.336 511 D HA 0.365 5.039 4.640 0.056 0.000 0.249 511 D C 1.678 178.007 176.300 0.048 0.000 1.213 511 D CA 0.487 54.526 54.000 0.064 0.000 0.870 511 D CB 1.135 41.975 40.800 0.067 0.000 1.076 511 D HN 1.070 nan 8.370 nan 0.000 0.483 512 V N 2.202 122.141 119.914 0.041 0.000 3.013 512 V HA 0.097 4.251 4.120 0.056 0.000 0.238 512 V C 1.409 177.498 176.094 -0.008 0.000 1.161 512 V CA 0.615 62.917 62.300 0.003 0.000 1.170 512 V CB -0.442 31.362 31.823 -0.031 0.000 0.917 512 V HN 0.481 nan 8.190 nan 0.000 0.478 513 N N 1.372 120.065 118.700 -0.013 0.000 2.336 513 N HA 0.295 5.068 4.740 0.056 0.000 0.189 513 N C 1.480 177.146 175.510 0.260 0.000 1.113 513 N CA 0.846 53.916 53.050 0.033 0.000 0.858 513 N CB 0.467 38.866 38.487 -0.145 0.000 0.970 513 N HN 0.971 nan 8.380 nan 0.000 0.471 514 G N 0.997 109.921 108.800 0.207 0.000 2.159 514 G HA2 -0.316 3.678 3.960 0.056 0.000 0.256 514 G HA3 -0.316 3.678 3.960 0.056 0.000 0.256 514 G C 0.081 175.190 174.900 0.349 0.000 0.977 514 G CA 0.428 45.684 45.100 0.261 0.000 0.652 514 G HN 0.660 nan 8.290 nan 0.000 0.531 515 D N 0.198 120.759 120.400 0.269 0.000 2.413 515 D HA 0.266 4.940 4.640 0.056 0.000 0.237 515 D C 1.417 177.805 176.300 0.146 0.000 1.171 515 D CA 0.100 54.222 54.000 0.204 0.000 0.839 515 D CB -0.040 40.787 40.800 0.046 0.000 0.950 515 D HN 0.316 nan 8.370 nan 0.000 0.499 516 K N -0.769 119.717 120.400 0.143 0.000 3.529 516 K HA -0.195 4.159 4.320 0.056 0.000 0.313 516 K C -0.336 176.323 176.600 0.097 0.000 1.316 516 K CA 0.569 56.920 56.287 0.107 0.000 0.988 516 K CB -1.978 30.581 32.500 0.098 0.000 1.252 516 K HN 0.416 nan 8.250 nan 0.000 0.438 517 L N 2.149 123.436 121.223 0.108 0.000 2.313 517 L HA 0.188 4.561 4.340 0.056 0.000 0.273 517 L C 0.846 177.796 176.870 0.133 0.000 1.028 517 L CA -0.377 54.532 54.840 0.114 0.000 0.871 517 L CB 1.653 43.782 42.059 0.117 0.000 1.242 517 L HN -0.031 nan 8.230 nan 0.000 0.434 518 T N 1.694 116.315 114.554 0.113 0.000 2.898 518 T HA -0.026 4.358 4.350 0.056 0.000 0.331 518 T C -0.297 174.483 174.700 0.133 0.000 1.085 518 T CA 0.356 62.519 62.100 0.106 0.000 1.129 518 T CB 0.126 69.044 68.868 0.083 0.000 1.054 518 T HN 0.472 nan 8.240 nan 0.000 0.540 519 D N 1.378 121.846 120.400 0.113 0.000 2.575 519 D HA 0.560 5.233 4.640 0.056 0.000 0.236 519 D C -0.319 176.018 176.300 0.062 0.000 1.075 519 D CA -0.326 53.729 54.000 0.092 0.000 0.860 519 D CB 1.867 42.713 40.800 0.078 0.000 1.475 519 D HN 0.500 nan 8.370 nan 0.000 0.474 520 V N -1.682 118.272 119.914 0.067 0.000 3.046 520 V HA 0.853 5.007 4.120 0.056 0.000 0.316 520 V C -0.397 175.760 176.094 0.106 0.000 1.104 520 V CA -0.764 61.578 62.300 0.069 0.000 1.006 520 V CB 1.851 33.702 31.823 0.047 0.000 1.058 520 V HN 0.273 nan 8.190 nan 0.000 0.440 521 V N 2.480 122.446 119.914 0.087 0.000 2.680 521 V HA 0.637 4.790 4.120 0.056 0.000 0.309 521 V C -0.404 175.750 176.094 0.100 0.000 1.052 521 V CA -0.414 61.956 62.300 0.118 0.000 0.908 521 V CB 1.715 33.583 31.823 0.075 0.000 1.001 521 V HN 0.823 nan 8.190 nan 0.000 0.431 522 I N 2.395 123.074 120.570 0.182 0.000 2.534 522 I HA 0.571 4.774 4.170 0.056 0.000 0.288 522 I C 0.465 176.712 176.117 0.217 0.000 1.077 522 I CA -0.431 60.951 61.300 0.136 0.000 1.051 522 I CB 2.204 40.268 38.000 0.107 0.000 1.234 522 I HN 0.755 nan 8.210 nan 0.000 0.425 523 G N 3.826 112.664 108.800 0.063 0.000 2.451 523 G HA2 0.713 4.706 3.960 0.056 0.000 0.303 523 G HA3 0.713 4.706 3.960 0.056 0.000 0.303 523 G C -0.519 174.472 174.900 0.153 0.000 1.166 523 G CA -0.413 44.710 45.100 0.037 0.000 0.884 523 G HN 0.811 nan 8.290 nan 0.000 0.514 524 A N 2.049 124.970 122.820 0.168 0.000 3.200 524 A HA 0.601 4.954 4.320 0.056 0.000 0.274 524 A C -2.302 175.407 177.584 0.208 0.000 1.220 524 A CA -0.632 51.572 52.037 0.278 0.000 0.904 524 A CB 1.306 20.664 19.000 0.597 0.000 1.415 524 A HN 0.337 nan 8.150 nan 0.000 0.630 525 P HA 0.047 nan 4.420 nan 0.000 0.239 525 P C 1.317 178.760 177.300 0.239 0.000 1.184 525 P CA 1.657 64.884 63.100 0.213 0.000 0.760 525 P CB 0.317 32.137 31.700 0.201 0.000 0.884 526 G N -1.533 107.396 108.800 0.216 0.000 3.159 526 G HA2 0.005 3.998 3.960 0.056 0.000 0.232 526 G HA3 0.005 3.998 3.960 0.056 0.000 0.232 526 G C 0.538 175.618 174.900 0.301 0.000 1.116 526 G CA -0.071 45.168 45.100 0.232 0.000 0.767 526 G HN 0.097 nan 8.290 nan 0.000 0.547 527 E N 1.158 121.517 120.200 0.265 0.000 2.447 527 E HA 0.121 4.504 4.350 0.056 0.000 0.259 527 E C 0.798 177.441 176.600 0.071 0.000 1.196 527 E CA 0.079 56.575 56.400 0.160 0.000 0.995 527 E CB 0.480 30.213 29.700 0.055 0.000 0.974 527 E HN 0.506 nan 8.360 nan 0.000 0.465 528 E N 0.069 120.055 120.200 -0.357 0.000 3.675 528 E HA -0.292 4.092 4.350 0.056 0.000 0.252 528 E C -0.063 176.687 176.600 0.248 0.000 1.502 528 E CA 1.558 57.906 56.400 -0.087 0.000 2.293 528 E CB -0.613 29.057 29.700 -0.051 0.000 2.078 528 E HN 0.698 nan 8.360 nan 0.000 0.461 529 E N 2.296 122.598 120.200 0.170 0.000 1.972 529 E HA 0.101 4.484 4.350 0.056 0.000 0.292 529 E C 0.286 176.994 176.600 0.181 0.000 1.193 529 E CA 0.517 57.024 56.400 0.178 0.000 1.228 529 E CB 0.110 29.884 29.700 0.123 0.000 1.167 529 E HN 0.571 nan 8.360 nan 0.000 0.479 530 N N 1.300 120.138 118.700 0.230 0.000 2.946 530 N HA -0.214 4.559 4.740 0.056 0.000 0.228 530 N C -0.441 175.212 175.510 0.239 0.000 0.873 530 N CA 1.154 54.346 53.050 0.236 0.000 1.029 530 N CB -0.564 38.057 38.487 0.224 0.000 1.047 530 N HN 0.401 nan 8.380 nan 0.000 0.612 531 R N 0.547 121.155 120.500 0.181 0.000 2.905 531 R HA 0.341 4.714 4.340 0.056 0.000 0.273 531 R C 1.254 177.684 176.300 0.216 0.000 1.033 531 R CA 0.780 56.971 56.100 0.152 0.000 1.182 531 R CB -0.644 29.702 30.300 0.077 0.000 1.097 531 R HN 0.317 nan 8.270 nan 0.000 0.504 532 G N -1.130 107.831 108.800 0.267 0.000 2.557 532 G HA2 0.577 4.570 3.960 0.056 0.000 0.292 532 G HA3 0.577 4.570 3.960 0.056 0.000 0.292 532 G C -1.063 174.095 174.900 0.430 0.000 1.237 532 G CA 0.118 45.509 45.100 0.485 0.000 0.978 532 G HN 0.676 nan 8.290 nan 0.000 0.498 533 A N -1.734 121.357 122.820 0.452 0.000 2.583 533 A HA 0.675 5.029 4.320 0.056 0.000 0.292 533 A C -1.416 176.195 177.584 0.044 0.000 1.045 533 A CA -0.376 51.800 52.037 0.231 0.000 0.672 533 A CB 1.275 20.277 19.000 0.003 0.000 1.283 533 A HN 1.517 nan 8.150 nan 0.000 0.419 534 V N 0.207 120.038 119.914 -0.138 0.000 3.087 534 V HA 0.701 4.855 4.120 0.056 0.000 0.306 534 V C -1.570 174.310 176.094 -0.356 0.000 1.187 534 V CA -0.621 61.600 62.300 -0.133 0.000 0.999 534 V CB 2.063 33.884 31.823 -0.002 0.000 1.049 534 V HN 0.906 nan 8.190 nan 0.000 0.431 535 Y N 2.167 122.574 120.300 0.178 0.000 2.545 535 Y HA 0.817 5.400 4.550 0.054 0.000 0.348 535 Y C -0.657 175.391 175.900 0.247 0.000 1.002 535 Y CA -0.908 57.293 58.100 0.168 0.000 1.039 535 Y CB 2.124 40.786 38.460 0.336 0.000 1.271 535 Y HN 0.516 nan 8.280 nan 0.000 0.467 536 L N 2.839 124.237 121.223 0.291 0.000 2.376 536 L HA 0.700 5.073 4.340 0.056 0.000 0.275 536 L C -1.967 174.903 176.870 0.000 0.000 0.987 536 L CA -0.609 54.339 54.840 0.181 0.000 0.828 536 L CB 0.501 42.587 42.059 0.045 0.000 1.249 536 L HN 0.453 nan 8.230 nan 0.000 0.409 537 F N 2.794 122.677 119.950 -0.112 0.000 2.618 537 F HA 0.675 5.236 4.527 0.056 0.000 0.332 537 F C 0.137 175.700 175.800 -0.396 0.000 1.061 537 F CA -0.679 57.231 58.000 -0.149 0.000 0.974 537 F CB 1.542 40.569 39.000 0.044 0.000 1.310 537 F HN 0.396 nan 8.300 nan 0.000 0.491 538 H N -0.888 118.364 119.070 0.303 0.000 2.821 538 H HA 0.504 5.094 4.556 0.057 0.000 0.373 538 H C 0.047 175.480 175.328 0.175 0.000 1.165 538 H CA -0.959 55.206 56.048 0.196 0.000 1.154 538 H CB 1.619 31.476 29.762 0.157 0.000 1.765 538 H HN 0.773 nan 8.280 nan 0.000 0.549 539 G N 0.042 108.994 108.800 0.253 0.000 2.588 539 G HA2 0.387 4.381 3.960 0.056 0.000 0.278 539 G HA3 0.387 4.381 3.960 0.056 0.000 0.278 539 G C 0.390 175.384 174.900 0.157 0.000 1.307 539 G CA -0.027 45.178 45.100 0.174 0.000 1.016 539 G HN 0.362 nan 8.290 nan 0.000 0.503 540 V N -1.185 118.800 119.914 0.118 0.000 4.491 540 V HA 0.419 4.572 4.120 0.056 0.000 0.164 540 V C -0.057 176.087 176.094 0.083 0.000 1.146 540 V CA -0.050 62.308 62.300 0.097 0.000 1.322 540 V CB -0.204 31.672 31.823 0.088 0.000 1.741 540 V HN 0.405 nan 8.190 nan 0.000 0.542 541 L N 0.741 122.011 121.223 0.078 0.000 2.568 541 L HA 0.649 5.022 4.340 0.056 0.000 0.262 541 L C 0.354 177.267 176.870 0.072 0.000 0.980 541 L CA 0.394 55.278 54.840 0.073 0.000 0.882 541 L CB 1.136 43.237 42.059 0.069 0.000 1.198 541 L HN 0.690 nan 8.230 nan 0.000 0.425 542 G N 4.432 113.276 108.800 0.073 0.000 2.514 542 G HA2 -0.214 3.780 3.960 0.056 0.000 0.265 542 G HA3 -0.214 3.780 3.960 0.056 0.000 0.265 542 G C -2.656 172.284 174.900 0.066 0.000 1.150 542 G CA -0.389 44.754 45.100 0.071 0.000 0.959 542 G HN 0.410 nan 8.290 nan 0.000 0.556 543 P HA 0.460 nan 4.420 nan 0.000 0.273 543 P C -0.330 177.003 177.300 0.055 0.000 1.428 543 P CA 1.057 64.185 63.100 0.047 0.000 0.995 543 P CB 0.342 32.065 31.700 0.038 0.000 1.286 544 S N 3.371 119.106 115.700 0.058 0.000 2.712 544 S HA 0.643 5.147 4.470 0.056 0.000 0.279 544 S C -0.762 173.888 174.600 0.083 0.000 1.025 544 S CA -0.946 57.294 58.200 0.066 0.000 0.861 544 S CB 0.274 63.516 63.200 0.070 0.000 1.091 544 S HN 0.434 nan 8.310 nan 0.000 0.457 545 I N -1.708 118.919 120.570 0.095 0.000 3.279 545 I HA 0.881 5.085 4.170 0.056 0.000 0.315 545 I C -0.676 175.548 176.117 0.179 0.000 1.187 545 I CA -0.870 60.516 61.300 0.142 0.000 0.953 545 I CB 1.956 40.031 38.000 0.125 0.000 1.279 545 I HN 0.688 nan 8.210 nan 0.000 0.465 546 S N 2.488 118.349 115.700 0.268 0.000 2.434 546 S HA 0.483 4.987 4.470 0.056 0.000 0.318 546 S C -1.763 173.046 174.600 0.348 0.000 1.062 546 S CA -1.493 56.857 58.200 0.250 0.000 1.116 546 S CB 0.509 63.850 63.200 0.234 0.000 0.977 546 S HN 0.555 nan 8.310 nan 0.000 0.480 547 P HA -0.097 nan 4.420 nan 0.000 0.217 547 P C 0.071 177.513 177.300 0.237 0.000 1.158 547 P CA 0.988 64.264 63.100 0.293 0.000 0.887 547 P CB 0.010 31.776 31.700 0.110 0.000 0.792 548 S N 1.047 116.783 115.700 0.060 0.000 2.429 548 S HA 0.033 4.537 4.470 0.056 0.000 0.292 548 S C 0.538 174.991 174.600 -0.244 0.000 1.183 548 S CA -0.318 57.817 58.200 -0.108 0.000 1.088 548 S CB -0.852 62.287 63.200 -0.101 0.000 1.018 548 S HN 0.299 nan 8.310 nan 0.000 0.511 549 H N 1.500 120.290 119.070 -0.466 0.000 2.679 549 H HA 0.267 4.857 4.556 0.057 0.000 0.369 549 H C 1.010 176.219 175.328 -0.197 0.000 1.178 549 H CA -0.065 55.581 56.048 -0.670 0.000 1.419 549 H CB 0.471 29.678 29.762 -0.925 0.000 1.458 549 H HN 0.536 nan 8.280 nan 0.000 0.605 550 S N 0.537 116.251 115.700 0.023 0.000 2.483 550 S HA 0.035 4.539 4.470 0.056 0.000 0.221 550 S C 0.722 175.431 174.600 0.181 0.000 1.030 550 S CA -0.058 58.235 58.200 0.156 0.000 0.925 550 S CB 0.396 63.907 63.200 0.520 0.000 0.795 550 S HN 0.743 nan 8.310 nan 0.000 0.511 551 Q N 0.222 120.164 119.800 0.237 0.000 2.456 551 Q HA 0.571 4.944 4.340 0.056 0.000 0.283 551 Q C -1.299 174.836 176.000 0.224 0.000 1.084 551 Q CA -0.824 55.107 55.803 0.213 0.000 0.801 551 Q CB 1.816 30.648 28.738 0.157 0.000 1.434 551 Q HN 0.301 nan 8.270 nan 0.000 0.419 552 R N 3.782 124.345 120.500 0.105 0.000 2.627 552 R HA 0.317 4.691 4.340 0.056 0.000 0.251 552 R C -1.179 175.061 176.300 -0.099 0.000 1.524 552 R CA -0.161 55.887 56.100 -0.087 0.000 1.606 552 R CB 0.200 30.482 30.300 -0.030 0.000 1.396 552 R HN 0.636 nan 8.270 nan 0.000 0.724 553 I N 2.596 123.138 120.570 -0.047 0.000 2.680 553 I HA 0.044 4.248 4.170 0.056 0.000 0.286 553 I C 0.807 176.919 176.117 -0.009 0.000 1.144 553 I CA 0.297 61.590 61.300 -0.011 0.000 1.370 553 I CB 0.708 38.735 38.000 0.045 0.000 1.420 553 I HN 0.420 nan 8.210 nan 0.000 0.540 554 A N 4.978 127.764 122.820 -0.055 0.000 2.452 554 A HA 0.694 5.047 4.320 0.056 0.000 0.285 554 A C 1.314 178.798 177.584 -0.167 0.000 1.209 554 A CA -0.105 51.907 52.037 -0.042 0.000 0.940 554 A CB 0.232 19.190 19.000 -0.070 0.000 1.440 554 A HN 0.721 nan 8.150 nan 0.000 0.480 555 G N -0.605 108.099 108.800 -0.160 0.000 2.848 555 G HA2 0.179 4.173 3.960 0.056 0.000 0.208 555 G HA3 0.179 4.173 3.960 0.056 0.000 0.208 555 G C 0.663 175.457 174.900 -0.177 0.000 1.152 555 G CA 0.980 45.915 45.100 -0.275 0.000 0.789 555 G HN 0.528 nan 8.290 nan 0.000 0.531 556 S N 0.397 116.023 115.700 -0.124 0.000 2.605 556 S HA 0.109 4.612 4.470 0.056 0.000 0.217 556 S C 0.975 175.522 174.600 -0.089 0.000 0.958 556 S CA -0.015 58.133 58.200 -0.086 0.000 0.919 556 S CB 0.240 63.405 63.200 -0.058 0.000 0.780 556 S HN 0.236 nan 8.310 nan 0.000 0.507 557 Q N 1.437 121.162 119.800 -0.124 0.000 3.150 557 Q HA 0.315 4.689 4.340 0.056 0.000 0.297 557 Q C 0.233 176.172 176.000 -0.102 0.000 1.382 557 Q CA -0.171 55.570 55.803 -0.104 0.000 1.059 557 Q CB -0.540 28.129 28.738 -0.115 0.000 1.559 557 Q HN 0.471 nan 8.270 nan 0.000 0.548 558 L N 0.364 121.538 121.223 -0.081 0.000 3.983 558 L HA -0.267 4.106 4.340 0.056 0.000 0.453 558 L C 0.401 177.216 176.870 -0.092 0.000 1.119 558 L CA 0.560 55.356 54.840 -0.073 0.000 0.924 558 L CB -1.510 40.515 42.059 -0.057 0.000 1.831 558 L HN 0.289 nan 8.230 nan 0.000 1.001 559 S N -0.758 114.866 115.700 -0.126 0.000 2.503 559 S HA 0.204 4.707 4.470 0.056 0.000 0.317 559 S C 1.518 176.059 174.600 -0.098 0.000 1.162 559 S CA 0.248 58.364 58.200 -0.140 0.000 1.124 559 S CB 1.070 64.136 63.200 -0.223 0.000 1.207 559 S HN 0.380 nan 8.310 nan 0.000 0.538 560 S N 5.098 120.752 115.700 -0.075 0.000 2.380 560 S HA -0.120 4.384 4.470 0.056 0.000 0.229 560 S C 0.711 175.280 174.600 -0.051 0.000 1.050 560 S CA 1.344 59.510 58.200 -0.056 0.000 1.100 560 S CB -0.198 62.974 63.200 -0.048 0.000 0.984 560 S HN 0.862 nan 8.310 nan 0.000 0.434 561 R N -0.146 120.322 120.500 -0.053 0.000 3.033 561 R HA 0.368 4.741 4.340 0.056 0.000 0.236 561 R C -1.747 174.523 176.300 -0.051 0.000 1.774 561 R CA -0.007 56.067 56.100 -0.044 0.000 1.401 561 R CB 0.531 30.813 30.300 -0.031 0.000 1.539 561 R HN 0.178 nan 8.270 nan 0.000 0.618 562 L N 1.844 123.030 121.223 -0.063 0.000 2.356 562 L HA 0.354 4.728 4.340 0.056 0.000 0.277 562 L C 1.083 177.917 176.870 -0.060 0.000 0.996 562 L CA -0.484 54.315 54.840 -0.068 0.000 0.822 562 L CB 2.476 44.501 42.059 -0.056 0.000 1.256 562 L HN 0.505 nan 8.230 nan 0.000 0.413 563 Q N 2.829 122.559 119.800 -0.116 0.000 1.813 563 Q HA -0.087 4.286 4.340 0.056 0.000 0.261 563 Q C -0.678 175.351 176.000 0.047 0.000 0.975 563 Q CA 1.642 57.408 55.803 -0.062 0.000 0.881 563 Q CB 0.058 28.712 28.738 -0.140 0.000 0.924 563 Q HN 0.593 nan 8.270 nan 0.000 0.425 564 Y N -0.413 119.968 120.300 0.135 0.000 2.331 564 Y HA 0.523 5.108 4.550 0.058 0.000 0.338 564 Y C -0.863 175.172 175.900 0.225 0.000 0.976 564 Y CA -1.619 56.581 58.100 0.167 0.000 1.137 564 Y CB 0.355 38.886 38.460 0.119 0.000 1.172 564 Y HN 0.157 nan 8.280 nan 0.000 0.478 565 F N 2.029 122.067 119.950 0.147 0.000 2.563 565 F HA 0.819 5.379 4.527 0.056 0.000 0.316 565 F C 0.530 176.395 175.800 0.109 0.000 1.076 565 F CA -0.542 57.516 58.000 0.096 0.000 0.921 565 F CB 2.339 41.363 39.000 0.041 0.000 1.209 565 F HN 0.860 nan 8.300 nan 0.000 0.462 566 G N 2.805 111.200 108.800 -0.674 0.000 2.179 566 G HA2 -0.306 3.688 3.960 0.056 0.000 0.220 566 G HA3 -0.306 3.688 3.960 0.056 0.000 0.220 566 G C 0.567 175.341 174.900 -0.210 0.000 0.990 566 G CA 0.377 45.092 45.100 -0.642 0.000 0.646 566 G HN 0.806 nan 8.290 nan 0.000 0.517 567 Q N 0.023 119.782 119.800 -0.069 0.000 2.065 567 Q HA 0.135 4.508 4.340 0.056 0.000 0.213 567 Q C 1.682 177.659 176.000 -0.039 0.000 1.012 567 Q CA 2.280 58.083 55.803 0.000 0.000 0.876 567 Q CB -0.170 28.613 28.738 0.075 0.000 0.954 567 Q HN 1.409 nan 8.270 nan 0.000 0.413 568 A N -0.614 122.176 122.820 -0.050 0.000 2.485 568 A HA 0.778 5.132 4.320 0.056 0.000 0.292 568 A C -1.588 175.960 177.584 -0.060 0.000 1.147 568 A CA -0.792 51.215 52.037 -0.051 0.000 0.750 568 A CB 1.496 20.472 19.000 -0.041 0.000 1.331 568 A HN 0.296 nan 8.150 nan 0.000 0.419 569 L N -3.199 118.000 121.223 -0.039 0.000 2.781 569 L HA 0.747 5.120 4.340 0.056 0.000 0.256 569 L C -0.878 175.990 176.870 -0.002 0.000 0.930 569 L CA -0.338 54.488 54.840 -0.024 0.000 0.967 569 L CB 1.145 43.177 42.059 -0.045 0.000 1.551 569 L HN 0.468 nan 8.230 nan 0.000 0.445 570 S N 0.294 116.004 115.700 0.017 0.000 2.575 570 S HA 0.976 5.479 4.470 0.056 0.000 0.278 570 S C -0.247 174.375 174.600 0.037 0.000 1.139 570 S CA -0.130 58.086 58.200 0.027 0.000 0.954 570 S CB 1.923 65.144 63.200 0.034 0.000 1.054 570 S HN 1.294 nan 8.310 nan 0.000 0.483 571 G N -0.159 108.660 108.800 0.033 0.000 2.766 571 G HA2 0.697 4.691 3.960 0.056 0.000 0.288 571 G HA3 0.697 4.691 3.960 0.056 0.000 0.288 571 G C 0.344 175.260 174.900 0.027 0.000 1.408 571 G CA -0.096 45.024 45.100 0.034 0.000 0.852 571 G HN 1.469 nan 8.290 nan 0.000 0.487 572 G N -1.545 107.268 108.800 0.023 0.000 2.367 572 G HA2 -0.099 3.894 3.960 0.056 0.000 0.181 572 G HA3 -0.099 3.894 3.960 0.056 0.000 0.181 572 G C 0.042 174.947 174.900 0.008 0.000 1.000 572 G CA 0.157 45.267 45.100 0.016 0.000 0.693 572 G HN 0.732 nan 8.290 nan 0.000 0.480 573 Q N 0.980 120.785 119.800 0.009 0.000 2.282 573 Q HA 0.551 4.924 4.340 0.056 0.000 0.260 573 Q C -0.888 175.108 176.000 -0.006 0.000 0.964 573 Q CA -0.577 55.227 55.803 0.001 0.000 0.880 573 Q CB 2.049 30.790 28.738 0.006 0.000 1.286 573 Q HN 0.251 nan 8.270 nan 0.000 0.445 574 D N 2.318 122.706 120.400 -0.019 0.000 2.352 574 D HA 0.127 4.801 4.640 0.056 0.000 0.245 574 D C -0.060 176.212 176.300 -0.045 0.000 1.224 574 D CA -0.271 53.706 54.000 -0.037 0.000 0.879 574 D CB 0.546 41.324 40.800 -0.037 0.000 1.057 574 D HN 0.497 nan 8.370 nan 0.000 0.491 575 L N 1.947 123.133 121.223 -0.063 0.000 2.577 575 L HA 0.290 4.664 4.340 0.056 0.000 0.225 575 L C 1.888 178.674 176.870 -0.141 0.000 1.053 575 L CA 0.593 55.397 54.840 -0.060 0.000 0.866 575 L CB -1.116 40.942 42.059 -0.002 0.000 1.132 575 L HN 0.337 nan 8.230 nan 0.000 0.486 576 T N -3.744 110.639 114.554 -0.284 0.000 3.085 576 T HA 0.064 4.448 4.350 0.056 0.000 0.263 576 T C 1.107 175.593 174.700 -0.357 0.000 1.127 576 T CA 0.829 62.544 62.100 -0.641 0.000 1.103 576 T CB -0.363 67.885 68.868 -1.034 0.000 0.921 576 T HN 0.545 nan 8.240 nan 0.000 0.510 577 Q N 0.358 120.045 119.800 -0.189 0.000 2.324 577 Q HA -0.189 4.184 4.340 0.056 0.000 0.200 577 Q C -0.758 175.192 176.000 -0.083 0.000 0.645 577 Q CA 1.149 56.892 55.803 -0.099 0.000 1.377 577 Q CB -1.929 26.775 28.738 -0.056 0.000 1.486 577 Q HN 0.936 nan 8.270 nan 0.000 0.796 578 D N -0.459 119.869 120.400 -0.119 0.000 2.414 578 D HA 0.263 4.936 4.640 0.056 0.000 0.242 578 D C 1.387 177.648 176.300 -0.066 0.000 1.129 578 D CA 0.607 54.562 54.000 -0.075 0.000 0.885 578 D CB 0.486 41.240 40.800 -0.077 0.000 1.198 578 D HN 0.107 nan 8.370 nan 0.000 0.437 579 G N 1.532 110.308 108.800 -0.040 0.000 2.628 579 G HA2 -0.217 3.776 3.960 0.056 0.000 0.217 579 G HA3 -0.217 3.776 3.960 0.056 0.000 0.217 579 G C 0.578 175.458 174.900 -0.032 0.000 1.240 579 G CA 0.752 45.833 45.100 -0.032 0.000 0.792 579 G HN 0.529 nan 8.290 nan 0.000 0.593 580 L N 0.872 122.079 121.223 -0.027 0.000 2.476 580 L HA 0.375 4.748 4.340 0.056 0.000 0.264 580 L C 1.209 178.064 176.870 -0.024 0.000 1.224 580 L CA -0.632 54.196 54.840 -0.019 0.000 0.821 580 L CB 0.951 43.004 42.059 -0.010 0.000 1.101 580 L HN 0.415 nan 8.230 nan 0.000 0.488 581 V N -0.035 119.871 119.914 -0.013 0.000 3.524 581 V HA 0.196 4.350 4.120 0.056 0.000 0.303 581 V C -0.166 175.919 176.094 -0.015 0.000 1.130 581 V CA -0.371 61.922 62.300 -0.011 0.000 1.225 581 V CB 0.138 31.962 31.823 0.002 0.000 1.056 581 V HN 0.794 nan 8.190 nan 0.000 0.495 582 D N 0.444 120.839 120.400 -0.008 0.000 2.523 582 D HA 0.728 5.402 4.640 0.056 0.000 0.236 582 D C -1.120 175.193 176.300 0.021 0.000 1.094 582 D CA -0.354 53.645 54.000 -0.002 0.000 0.942 582 D CB 2.149 42.940 40.800 -0.015 0.000 1.447 582 D HN 0.709 nan 8.370 nan 0.000 0.479 583 L N 0.542 121.785 121.223 0.034 0.000 2.362 583 L HA 0.787 5.160 4.340 0.056 0.000 0.271 583 L C -1.438 175.472 176.870 0.067 0.000 1.002 583 L CA -0.649 54.220 54.840 0.047 0.000 0.818 583 L CB 1.753 43.840 42.059 0.048 0.000 1.298 583 L HN 0.459 nan 8.230 nan 0.000 0.420 584 A N 4.643 127.506 122.820 0.070 0.000 2.311 584 A HA 0.763 5.116 4.320 0.056 0.000 0.306 584 A C -1.508 176.117 177.584 0.068 0.000 1.189 584 A CA -0.493 51.599 52.037 0.091 0.000 0.791 584 A CB 1.245 20.307 19.000 0.103 0.000 1.172 584 A HN 0.495 nan 8.150 nan 0.000 0.481 585 V N 2.619 122.584 119.914 0.085 0.000 2.407 585 V HA 0.614 4.767 4.120 0.056 0.000 0.291 585 V C 0.898 177.035 176.094 0.072 0.000 1.018 585 V CA -0.287 62.032 62.300 0.032 0.000 0.842 585 V CB 1.557 33.377 31.823 -0.005 0.000 0.996 585 V HN 1.098 nan 8.190 nan 0.000 0.426 586 G N 3.271 112.084 108.800 0.021 0.000 2.444 586 G HA2 0.681 4.674 3.960 0.056 0.000 0.268 586 G HA3 0.681 4.674 3.960 0.056 0.000 0.268 586 G C -0.255 174.693 174.900 0.081 0.000 1.203 586 G CA 0.338 45.466 45.100 0.047 0.000 0.835 586 G HN 1.157 nan 8.290 nan 0.000 0.543 587 A N 2.065 124.973 122.820 0.147 0.000 2.566 587 A HA 0.759 5.113 4.320 0.056 0.000 0.292 587 A C 0.125 177.784 177.584 0.125 0.000 1.112 587 A CA -0.920 51.226 52.037 0.182 0.000 0.707 587 A CB 1.165 20.343 19.000 0.297 0.000 1.302 587 A HN 0.776 nan 8.150 nan 0.000 0.409 588 R N 0.286 120.802 120.500 0.026 0.000 2.457 588 R HA 0.366 4.739 4.340 0.056 0.000 0.335 588 R C 1.230 177.555 176.300 0.043 0.000 1.003 588 R CA 1.873 57.955 56.100 -0.029 0.000 1.003 588 R CB -0.537 29.554 30.300 -0.347 0.000 0.950 588 R HN 1.917 nan 8.270 nan 0.000 0.428 589 G N 2.804 111.703 108.800 0.164 0.000 2.490 589 G HA2 -0.294 3.700 3.960 0.056 0.000 0.214 589 G HA3 -0.294 3.700 3.960 0.056 0.000 0.214 589 G C -0.296 174.775 174.900 0.285 0.000 1.151 589 G CA 0.312 45.517 45.100 0.176 0.000 0.684 589 G HN 0.680 nan 8.290 nan 0.000 0.518 590 Q N -0.674 119.290 119.800 0.273 0.000 2.544 590 Q HA 0.802 5.175 4.340 0.056 0.000 0.291 590 Q C -1.590 174.608 176.000 0.329 0.000 1.068 590 Q CA -0.808 55.191 55.803 0.326 0.000 0.785 590 Q CB 2.870 31.703 28.738 0.157 0.000 1.481 590 Q HN 1.026 nan 8.270 nan 0.000 0.430 591 V N 1.818 121.950 119.914 0.363 0.000 2.638 591 V HA 0.538 4.692 4.120 0.056 0.000 0.306 591 V C -1.687 174.560 176.094 0.257 0.000 1.052 591 V CA -0.657 61.811 62.300 0.280 0.000 0.885 591 V CB 1.834 33.801 31.823 0.240 0.000 0.999 591 V HN 0.761 nan 8.190 nan 0.000 0.424 592 L N 6.287 127.633 121.223 0.206 0.000 2.334 592 L HA 0.657 5.031 4.340 0.056 0.000 0.270 592 L C -0.450 176.506 176.870 0.142 0.000 1.018 592 L CA -0.287 54.639 54.840 0.142 0.000 0.811 592 L CB 1.786 43.925 42.059 0.133 0.000 1.271 592 L HN 0.538 nan 8.230 nan 0.000 0.443 593 L N 2.824 124.103 121.223 0.094 0.000 2.349 593 L HA 0.479 4.852 4.340 0.056 0.000 0.278 593 L C -1.364 175.545 176.870 0.065 0.000 0.996 593 L CA -0.599 54.298 54.840 0.095 0.000 0.825 593 L CB 1.622 43.747 42.059 0.111 0.000 1.243 593 L HN 0.302 nan 8.230 nan 0.000 0.412 594 L N 4.676 125.939 121.223 0.066 0.000 2.280 594 L HA 0.480 4.853 4.340 0.056 0.000 0.287 594 L C 0.224 177.112 176.870 0.030 0.000 1.023 594 L CA -0.119 54.751 54.840 0.050 0.000 0.819 594 L CB 1.339 43.438 42.059 0.066 0.000 1.212 594 L HN 0.454 nan 8.230 nan 0.000 0.420 595 R N 0.662 121.171 120.500 0.015 0.000 2.560 595 R HA 0.560 4.934 4.340 0.056 0.000 0.270 595 R C -0.093 176.209 176.300 0.004 0.000 1.074 595 R CA -0.594 55.504 56.100 -0.004 0.000 1.140 595 R CB 0.657 30.943 30.300 -0.023 0.000 1.073 595 R HN 0.632 nan 8.270 nan 0.000 0.527 596 T N 0.331 114.882 114.554 -0.005 0.000 2.762 596 T HA 0.271 4.655 4.350 0.056 0.000 0.303 596 T C 0.266 174.966 174.700 0.001 0.000 0.977 596 T CA -1.078 61.019 62.100 -0.005 0.000 0.961 596 T CB 0.637 69.497 68.868 -0.014 0.000 0.944 596 T HN 0.214 nan 8.240 nan 0.000 0.481 597 R N 3.732 124.240 120.500 0.013 0.000 2.489 597 R HA 0.209 4.583 4.340 0.056 0.000 0.287 597 R C -2.627 173.695 176.300 0.036 0.000 1.053 597 R CA -2.368 53.750 56.100 0.029 0.000 1.036 597 R CB -0.352 29.976 30.300 0.047 0.000 0.966 597 R HN 0.478 nan 8.270 nan 0.000 0.432 598 P HA -0.067 nan 4.420 nan 0.000 0.262 598 P C -0.215 177.137 177.300 0.087 0.000 1.199 598 P CA 0.148 63.275 63.100 0.044 0.000 0.763 598 P CB 0.372 32.088 31.700 0.026 0.000 0.790 599 V N 3.239 123.229 119.914 0.127 0.000 2.304 599 V HA 0.476 4.629 4.120 0.056 0.000 0.269 599 V C -0.308 175.928 176.094 0.237 0.000 1.036 599 V CA -0.976 61.472 62.300 0.246 0.000 0.840 599 V CB 0.058 32.108 31.823 0.379 0.000 1.036 599 V HN 0.183 nan 8.190 nan 0.000 0.466 600 L N 3.836 125.148 121.223 0.148 0.000 2.334 600 L HA 1.016 5.390 4.340 0.056 0.000 0.275 600 L C -0.323 176.667 176.870 0.200 0.000 1.036 600 L CA -1.086 53.742 54.840 -0.019 0.000 0.807 600 L CB 0.824 42.834 42.059 -0.083 0.000 1.231 600 L HN 0.859 nan 8.230 nan 0.000 0.438 601 W N 1.017 122.351 121.300 0.056 0.000 2.902 601 W HA 0.899 5.592 4.660 0.056 0.000 0.346 601 W C -1.543 174.992 176.519 0.027 0.000 1.139 601 W CA -1.438 55.951 57.345 0.073 0.000 1.139 601 W CB 1.095 30.603 29.460 0.081 0.000 1.439 601 W HN 0.536 nan 8.180 nan 0.000 0.558 602 V N 1.544 121.608 119.914 0.251 0.000 2.914 602 V HA 0.941 5.095 4.120 0.056 0.000 0.314 602 V C -0.272 175.788 176.094 -0.058 0.000 1.084 602 V CA -0.625 61.661 62.300 -0.024 0.000 0.963 602 V CB 1.782 33.606 31.823 0.001 0.000 1.025 602 V HN 1.086 nan 8.190 nan 0.000 0.432 603 G N 2.634 111.157 108.800 -0.461 0.000 2.400 603 G HA2 0.659 4.652 3.960 0.056 0.000 0.333 603 G HA3 0.659 4.652 3.960 0.056 0.000 0.333 603 G C -1.377 173.383 174.900 -0.233 0.000 1.143 603 G CA -0.397 44.463 45.100 -0.400 0.000 0.914 603 G HN 1.144 nan 8.290 nan 0.000 0.480 604 V N 0.702 120.516 119.914 -0.167 0.000 2.962 604 V HA 0.871 5.024 4.120 0.056 0.000 0.313 604 V C -0.437 175.594 176.094 -0.106 0.000 1.099 604 V CA -0.423 61.794 62.300 -0.140 0.000 0.971 604 V CB 2.453 34.060 31.823 -0.360 0.000 1.028 604 V HN 1.298 nan 8.190 nan 0.000 0.430 605 S N 6.212 121.879 115.700 -0.055 0.000 2.521 605 S HA 0.840 5.344 4.470 0.056 0.000 0.295 605 S C -0.922 173.632 174.600 -0.077 0.000 1.098 605 S CA -0.809 57.350 58.200 -0.069 0.000 0.999 605 S CB 1.758 64.915 63.200 -0.072 0.000 1.034 605 S HN 0.740 nan 8.310 nan 0.000 0.483 606 M N 2.257 121.806 119.600 -0.086 0.000 2.395 606 M HA 0.541 5.054 4.480 0.056 0.000 0.307 606 M C -0.812 175.372 176.300 -0.194 0.000 1.091 606 M CA -0.263 54.955 55.300 -0.136 0.000 0.919 606 M CB 2.535 35.068 32.600 -0.112 0.000 1.662 606 M HN 0.923 nan 8.290 nan 0.000 0.440 607 Q N 1.591 121.203 119.800 -0.313 0.000 2.435 607 Q HA 0.550 4.924 4.340 0.056 0.000 0.282 607 Q C -2.060 173.673 176.000 -0.445 0.000 1.020 607 Q CA -0.588 55.047 55.803 -0.282 0.000 0.820 607 Q CB 2.440 31.111 28.738 -0.113 0.000 1.436 607 Q HN 0.644 nan 8.270 nan 0.000 0.395 608 F N 3.348 123.317 119.950 0.032 0.000 2.366 608 F HA 0.387 4.947 4.527 0.056 0.000 0.366 608 F C 1.120 176.925 175.800 0.008 0.000 1.096 608 F CA -0.560 57.454 58.000 0.024 0.000 1.060 608 F CB 0.595 39.599 39.000 0.007 0.000 1.282 608 F HN 0.632 nan 8.300 nan 0.000 0.450 609 I N 2.568 123.225 120.570 0.144 0.000 2.103 609 I HA -0.239 3.964 4.170 0.056 0.000 0.241 609 I C -1.096 175.069 176.117 0.079 0.000 1.036 609 I CA 1.202 62.550 61.300 0.080 0.000 1.300 609 I CB -1.003 37.030 38.000 0.054 0.000 1.010 609 I HN 0.311 nan 8.210 nan 0.000 0.406 610 P HA 0.062 nan 4.420 nan 0.000 0.268 610 P C 0.259 177.590 177.300 0.052 0.000 1.282 610 P CA 0.299 63.425 63.100 0.043 0.000 0.880 610 P CB 0.915 32.621 31.700 0.011 0.000 0.971 611 A N 4.850 127.699 122.820 0.050 0.000 1.863 611 A HA -0.234 4.119 4.320 0.056 0.000 0.218 611 A C 1.070 178.664 177.584 0.016 0.000 1.233 611 A CA 1.780 53.853 52.037 0.060 0.000 0.655 611 A CB -0.714 18.311 19.000 0.041 0.000 0.839 611 A HN 0.615 nan 8.150 nan 0.000 0.454 612 E N -2.035 118.147 120.200 -0.029 0.000 2.538 612 E HA 0.716 5.100 4.350 0.056 0.000 0.232 612 E C -1.002 175.516 176.600 -0.137 0.000 0.830 612 E CA -1.039 55.305 56.400 -0.093 0.000 0.916 612 E CB 0.836 30.513 29.700 -0.039 0.000 1.567 612 E HN 0.261 nan 8.360 nan 0.000 0.389 613 I N 1.145 121.614 120.570 -0.170 0.000 2.377 613 I HA 0.230 4.433 4.170 0.056 0.000 0.293 613 I C -1.996 174.095 176.117 -0.044 0.000 0.987 613 I CA -2.417 58.797 61.300 -0.144 0.000 1.185 613 I CB 2.040 39.890 38.000 -0.251 0.000 1.341 613 I HN 0.388 nan 8.210 nan 0.000 0.455 614 P HA 0.020 nan 4.420 nan 0.000 0.249 614 P C 0.618 177.906 177.300 -0.020 0.000 1.241 614 P CA 0.174 63.262 63.100 -0.021 0.000 0.781 614 P CB 0.091 31.783 31.700 -0.013 0.000 1.088 615 R N -1.913 118.593 120.500 0.010 0.000 3.922 615 R HA -0.205 4.168 4.340 0.056 0.000 0.447 615 R C 1.150 177.509 176.300 0.098 0.000 1.035 615 R CA 1.008 57.107 56.100 -0.002 0.000 1.289 615 R CB -2.185 27.999 30.300 -0.193 0.000 1.906 615 R HN 0.105 nan 8.270 nan 0.000 0.540 616 S N -0.202 115.543 115.700 0.075 0.000 2.338 616 S HA -0.002 4.502 4.470 0.056 0.000 0.218 616 S C 1.229 175.888 174.600 0.098 0.000 1.032 616 S CA 1.271 59.510 58.200 0.066 0.000 0.999 616 S CB 0.029 63.250 63.200 0.035 0.000 0.905 616 S HN 0.564 nan 8.310 nan 0.000 0.439 617 A N 0.325 123.205 122.820 0.099 0.000 3.105 617 A HA 0.485 4.838 4.320 0.056 0.000 0.272 617 A C 0.563 178.231 177.584 0.141 0.000 1.466 617 A CA -0.459 51.631 52.037 0.089 0.000 1.101 617 A CB -0.682 18.345 19.000 0.044 0.000 1.065 617 A HN 0.443 nan 8.150 nan 0.000 0.643 618 F N -0.257 119.712 119.950 0.032 0.000 2.324 618 F HA 0.201 4.762 4.527 0.056 0.000 0.260 618 F C 1.830 177.648 175.800 0.030 0.000 1.073 618 F CA 1.308 59.341 58.000 0.054 0.000 1.073 618 F CB 0.218 39.251 39.000 0.056 0.000 1.114 618 F HN 0.322 nan 8.300 nan 0.000 0.588 619 E N 0.185 120.529 120.200 0.241 0.000 2.385 619 E HA 0.059 4.443 4.350 0.056 0.000 0.194 619 E C 0.875 177.494 176.600 0.032 0.000 1.013 619 E CA 0.584 57.019 56.400 0.059 0.000 0.866 619 E CB 0.168 30.022 29.700 0.257 0.000 0.832 619 E HN 0.611 nan 8.360 nan 0.000 0.500 620 c N -0.601 118.039 118.600 0.067 0.000 0.168 620 c HA -0.244 4.359 4.570 0.056 0.000 0.017 620 c C -0.086 174.019 174.090 0.026 0.000 0.171 620 c CA -0.136 56.214 56.329 0.034 0.000 0.499 620 c CB -0.700 41.811 42.510 0.002 0.000 3.212 620 c HN 0.585 nan 8.230 nan 0.000 1.118 621 R N -0.131 120.378 120.500 0.014 0.000 2.741 621 R HA 0.518 4.892 4.340 0.056 0.000 0.276 621 R C -0.970 175.333 176.300 0.006 0.000 1.028 621 R CA -0.251 55.856 56.100 0.012 0.000 0.865 621 R CB 0.940 31.250 30.300 0.017 0.000 1.268 621 R HN 0.872 nan 8.270 nan 0.000 0.475 622 E N 1.560 121.763 120.200 0.004 0.000 3.157 622 E HA 0.070 4.453 4.350 0.056 0.000 0.203 622 E C -1.131 175.471 176.600 0.003 0.000 0.982 622 E CA -0.139 56.262 56.400 0.001 0.000 1.217 622 E CB 1.315 31.014 29.700 -0.002 0.000 1.123 622 E HN 0.395 nan 8.360 nan 0.000 0.457 623 Q N 0.312 120.115 119.800 0.005 0.000 2.316 623 Q HA 0.502 4.876 4.340 0.056 0.000 0.264 623 Q C 0.645 176.649 176.000 0.005 0.000 0.987 623 Q CA -0.612 55.194 55.803 0.005 0.000 0.852 623 Q CB 1.712 30.453 28.738 0.005 0.000 1.287 623 Q HN 0.003 nan 8.270 nan 0.000 0.448 624 V N -0.750 119.167 119.914 0.004 0.000 0.691 624 V HA -0.296 3.858 4.120 0.056 0.000 0.092 624 V C 0.366 176.463 176.094 0.005 0.000 0.768 624 V CA 0.749 63.051 62.300 0.005 0.000 3.097 624 V CB -2.381 29.446 31.823 0.006 0.000 0.181 624 V HN 1.406 nan 8.190 nan 0.000 0.063 625 V N -2.019 117.899 119.914 0.006 0.000 3.036 625 V HA 0.770 4.923 4.120 0.056 0.000 0.308 625 V C 0.709 176.805 176.094 0.005 0.000 1.070 625 V CA 0.229 62.532 62.300 0.005 0.000 1.056 625 V CB 1.292 33.119 31.823 0.006 0.000 1.084 625 V HN 1.579 nan 8.190 nan 0.000 0.471 626 S N 2.039 117.740 115.700 0.003 0.000 2.414 626 S HA 0.199 4.702 4.470 0.056 0.000 0.290 626 S C 0.108 174.711 174.600 0.005 0.000 1.160 626 S CA -0.066 58.136 58.200 0.002 0.000 1.069 626 S CB -0.610 62.590 63.200 -0.000 0.000 1.012 626 S HN 0.836 nan 8.310 nan 0.000 0.510 627 E N 3.295 123.500 120.200 0.008 0.000 1.936 627 E HA 0.059 4.442 4.350 0.056 0.000 0.267 627 E C -0.287 176.318 176.600 0.008 0.000 1.076 627 E CA -0.197 56.209 56.400 0.009 0.000 0.870 627 E CB 0.415 30.122 29.700 0.012 0.000 1.093 627 E HN 0.586 nan 8.360 nan 0.000 0.411 628 Q N 1.978 121.782 119.800 0.006 0.000 2.300 628 Q HA 0.061 4.435 4.340 0.056 0.000 0.262 628 Q C 0.036 176.038 176.000 0.002 0.000 1.109 628 Q CA 0.139 55.943 55.803 0.002 0.000 0.905 628 Q CB 0.574 29.312 28.738 0.001 0.000 1.280 628 Q HN 0.339 nan 8.270 nan 0.000 0.426 629 T N 2.292 116.846 114.554 -0.000 0.000 2.908 629 T HA 0.031 4.414 4.350 0.056 0.000 0.325 629 T C -0.257 174.440 174.700 -0.006 0.000 1.092 629 T CA 0.058 62.157 62.100 -0.003 0.000 1.125 629 T CB 0.248 69.111 68.868 -0.009 0.000 1.016 629 T HN 0.307 nan 8.240 nan 0.000 0.550 630 L N 4.933 126.156 121.223 0.000 0.000 2.337 630 L HA 0.499 4.872 4.340 0.056 0.000 0.269 630 L C -0.682 176.195 176.870 0.012 0.000 1.018 630 L CA -0.332 54.514 54.840 0.011 0.000 0.876 630 L CB 0.690 42.762 42.059 0.021 0.000 1.236 630 L HN 0.385 nan 8.230 nan 0.000 0.436 631 V N 4.260 124.178 119.914 0.006 0.000 2.644 631 V HA 0.413 4.567 4.120 0.056 0.000 0.295 631 V C 0.112 176.259 176.094 0.089 0.000 1.053 631 V CA -0.526 61.787 62.300 0.022 0.000 0.987 631 V CB 1.571 33.374 31.823 -0.034 0.000 1.006 631 V HN 0.669 nan 8.190 nan 0.000 0.472 632 Q N 1.682 121.555 119.800 0.122 0.000 2.312 632 Q HA 0.513 4.886 4.340 0.056 0.000 0.263 632 Q C -0.751 175.392 176.000 0.239 0.000 0.995 632 Q CA -0.271 55.625 55.803 0.156 0.000 0.853 632 Q CB 2.116 30.908 28.738 0.091 0.000 1.300 632 Q HN 0.717 nan 8.270 nan 0.000 0.448 633 S N 2.755 118.617 115.700 0.271 0.000 2.640 633 S HA 0.303 4.807 4.470 0.056 0.000 0.320 633 S C -1.068 173.606 174.600 0.122 0.000 1.097 633 S CA -0.689 57.640 58.200 0.216 0.000 1.092 633 S CB 0.526 63.945 63.200 0.366 0.000 0.988 633 S HN 0.588 nan 8.310 nan 0.000 0.470 634 N N 5.454 124.144 118.700 -0.017 0.000 2.444 634 N HA 0.459 5.233 4.740 0.056 0.000 0.262 634 N C -1.001 174.481 175.510 -0.046 0.000 0.974 634 N CA -0.325 52.707 53.050 -0.030 0.000 0.933 634 N CB 0.619 39.069 38.487 -0.061 0.000 1.137 634 N HN 0.670 nan 8.380 nan 0.000 0.498 635 I N 1.774 122.359 120.570 0.025 0.000 2.603 635 I HA 0.484 4.688 4.170 0.056 0.000 0.300 635 I C -0.294 175.837 176.117 0.022 0.000 1.017 635 I CA -0.816 60.501 61.300 0.028 0.000 1.098 635 I CB 1.900 39.964 38.000 0.106 0.000 1.279 635 I HN 0.322 nan 8.210 nan 0.000 0.437 636 c N 5.101 123.703 118.600 0.005 0.000 2.802 636 c HA 0.724 5.328 4.570 0.056 0.000 0.307 636 c C -0.512 173.617 174.090 0.065 0.000 1.222 636 c CA -0.783 55.558 56.329 0.021 0.000 1.580 636 c CB 1.798 44.284 42.510 -0.040 0.000 2.119 636 c HN 0.558 nan 8.230 nan 0.000 0.479 637 L N 2.719 124.016 121.223 0.122 0.000 2.438 637 L HA 0.643 5.017 4.340 0.056 0.000 0.270 637 L C -1.147 175.848 176.870 0.208 0.000 0.972 637 L CA -0.483 54.423 54.840 0.111 0.000 0.831 637 L CB 1.400 43.443 42.059 -0.027 0.000 1.273 637 L HN 0.899 nan 8.230 nan 0.000 0.405 638 Y N 2.488 122.757 120.300 -0.051 0.000 2.513 638 Y HA 0.805 5.389 4.550 0.056 0.000 0.340 638 Y C -1.026 174.850 175.900 -0.038 0.000 1.055 638 Y CA -1.366 56.714 58.100 -0.033 0.000 1.020 638 Y CB 1.389 39.830 38.460 -0.032 0.000 1.301 638 Y HN 0.415 nan 8.280 nan 0.000 0.453 639 I N 1.348 121.815 120.570 -0.171 0.000 2.441 639 I HA 0.532 4.736 4.170 0.056 0.000 0.295 639 I C -0.596 175.392 176.117 -0.215 0.000 0.994 639 I CA -0.603 60.535 61.300 -0.270 0.000 1.144 639 I CB 2.139 40.037 38.000 -0.170 0.000 1.314 639 I HN 0.892 nan 8.210 nan 0.000 0.445 640 D N 3.674 123.897 120.400 -0.295 0.000 2.403 640 D HA 0.027 4.700 4.640 0.056 0.000 0.280 640 D C 0.315 176.485 176.300 -0.217 0.000 1.091 640 D CA 0.038 53.935 54.000 -0.172 0.000 0.884 640 D CB 0.434 41.179 40.800 -0.091 0.000 1.427 640 D HN 0.500 nan 8.370 nan 0.000 0.504 641 K N 1.149 121.292 120.400 -0.428 0.000 2.268 641 K HA 0.283 4.637 4.320 0.056 0.000 0.276 641 K C 0.984 177.291 176.600 -0.489 0.000 1.080 641 K CA -0.368 55.637 56.287 -0.471 0.000 0.910 641 K CB 0.881 32.959 32.500 -0.703 0.000 1.163 641 K HN 0.077 nan 8.250 nan 0.000 0.465 642 R N 1.580 121.928 120.500 -0.253 0.000 2.591 642 R HA 0.006 4.379 4.340 0.056 0.000 0.288 642 R C 0.905 177.143 176.300 -0.103 0.000 0.947 642 R CA 0.610 56.602 56.100 -0.179 0.000 1.085 642 R CB -0.162 30.060 30.300 -0.130 0.000 1.618 642 R HN 0.504 nan 8.270 nan 0.000 0.524 643 S N 2.838 118.493 115.700 -0.074 0.000 2.389 643 S HA -0.323 4.181 4.470 0.056 0.000 0.231 643 S C 1.905 176.492 174.600 -0.023 0.000 1.052 643 S CA 1.774 59.955 58.200 -0.032 0.000 1.053 643 S CB -0.398 62.799 63.200 -0.006 0.000 0.886 643 S HN 0.649 nan 8.310 nan 0.000 0.456 644 K N 1.713 122.101 120.400 -0.020 0.000 2.007 644 K HA 0.016 4.369 4.320 0.056 0.000 0.206 644 K C 1.616 178.205 176.600 -0.019 0.000 1.047 644 K CA 1.353 57.635 56.287 -0.009 0.000 0.937 644 K CB -0.579 31.925 32.500 0.008 0.000 0.718 644 K HN 0.254 nan 8.250 nan 0.000 0.438 645 N N 1.182 119.863 118.700 -0.032 0.000 2.459 645 N HA 0.074 4.847 4.740 0.056 0.000 0.181 645 N C 0.401 175.892 175.510 -0.031 0.000 1.046 645 N CA 0.624 53.655 53.050 -0.032 0.000 0.904 645 N CB -0.444 38.018 38.487 -0.041 0.000 0.964 645 N HN 0.218 nan 8.380 nan 0.000 0.444 646 L N -0.980 120.222 121.223 -0.034 0.000 0.600 646 L HA -0.289 4.084 4.340 0.056 0.000 0.356 646 L C 0.256 177.108 176.870 -0.029 0.000 1.022 646 L CA -0.052 54.771 54.840 -0.029 0.000 1.223 646 L CB -0.591 41.455 42.059 -0.021 0.000 0.047 646 L HN 0.063 nan 8.230 nan 0.000 0.094 647 L N 0.017 121.226 121.223 -0.024 0.000 2.444 647 L HA 0.474 4.848 4.340 0.056 0.000 0.251 647 L C 1.211 178.069 176.870 -0.020 0.000 1.247 647 L CA 0.971 55.798 54.840 -0.022 0.000 0.825 647 L CB -0.115 41.934 42.059 -0.017 0.000 1.129 647 L HN 0.953 nan 8.230 nan 0.000 0.527 648 G N -0.168 108.621 108.800 -0.018 0.000 2.685 648 G HA2 -0.193 3.801 3.960 0.056 0.000 0.387 648 G HA3 -0.193 3.801 3.960 0.056 0.000 0.387 648 G C -0.405 174.484 174.900 -0.019 0.000 1.324 648 G CA -0.502 44.588 45.100 -0.016 0.000 0.878 648 G HN 0.662 nan 8.290 nan 0.000 0.527 649 S N -0.076 115.613 115.700 -0.018 0.000 2.558 649 S HA 0.196 4.700 4.470 0.056 0.000 0.297 649 S C 1.503 176.088 174.600 -0.024 0.000 1.283 649 S CA 1.763 59.950 58.200 -0.022 0.000 1.044 649 S CB 0.676 63.863 63.200 -0.022 0.000 0.789 649 S HN 1.780 nan 8.310 nan 0.000 0.500 650 R N 1.117 121.601 120.500 -0.027 0.000 1.190 650 R HA -0.260 4.114 4.340 0.056 0.000 0.019 650 R C 1.151 177.436 176.300 -0.026 0.000 0.960 650 R CA 1.698 57.783 56.100 -0.025 0.000 1.987 650 R CB -1.819 28.468 30.300 -0.021 0.000 0.132 650 R HN 0.675 nan 8.270 nan 0.000 0.732 651 D N 0.169 120.552 120.400 -0.029 0.000 2.271 651 D HA -0.087 4.587 4.640 0.056 0.000 0.207 651 D C 1.358 177.637 176.300 -0.037 0.000 0.983 651 D CA 1.739 55.716 54.000 -0.039 0.000 0.878 651 D CB 0.104 40.879 40.800 -0.041 0.000 0.920 651 D HN 0.261 nan 8.370 nan 0.000 0.479 652 L N -0.045 121.162 121.223 -0.027 0.000 2.597 652 L HA 0.203 4.576 4.340 0.056 0.000 0.188 652 L C 0.992 177.850 176.870 -0.020 0.000 1.333 652 L CA 0.277 55.104 54.840 -0.021 0.000 1.543 652 L CB -1.318 40.731 42.059 -0.016 0.000 1.504 652 L HN -0.042 nan 8.230 nan 0.000 0.813 653 Q N 1.120 120.908 119.800 -0.020 0.000 2.308 653 Q HA 0.140 4.514 4.340 0.056 0.000 0.313 653 Q C -0.915 175.071 176.000 -0.023 0.000 1.075 653 Q CA 0.531 56.321 55.803 -0.022 0.000 0.995 653 Q CB 0.255 28.977 28.738 -0.027 0.000 1.107 653 Q HN 0.576 nan 8.270 nan 0.000 0.380 654 S N 1.784 117.471 115.700 -0.021 0.000 2.543 654 S HA 0.482 4.985 4.470 0.056 0.000 0.274 654 S C -1.151 173.437 174.600 -0.019 0.000 1.149 654 S CA -1.006 57.185 58.200 -0.016 0.000 0.866 654 S CB 1.842 65.041 63.200 -0.001 0.000 1.111 654 S HN 0.433 nan 8.310 nan 0.000 0.457 655 S N 0.752 116.443 115.700 -0.015 0.000 2.654 655 S HA 0.875 5.379 4.470 0.056 0.000 0.283 655 S C -0.701 173.901 174.600 0.003 0.000 1.180 655 S CA -0.605 57.584 58.200 -0.018 0.000 1.021 655 S CB 1.351 64.541 63.200 -0.017 0.000 1.018 655 S HN 0.821 nan 8.310 nan 0.000 0.532 656 V N 1.572 121.488 119.914 0.003 0.000 2.971 656 V HA 0.505 4.659 4.120 0.056 0.000 0.309 656 V C -0.413 175.705 176.094 0.039 0.000 1.130 656 V CA -1.007 61.319 62.300 0.043 0.000 0.964 656 V CB 2.455 34.325 31.823 0.078 0.000 1.029 656 V HN 1.009 nan 8.190 nan 0.000 0.427 657 T N 2.567 117.155 114.554 0.057 0.000 2.749 657 T HA 0.798 5.182 4.350 0.056 0.000 0.287 657 T C -0.678 174.070 174.700 0.080 0.000 0.970 657 T CA -0.465 61.662 62.100 0.045 0.000 0.980 657 T CB 0.759 69.642 68.868 0.024 0.000 0.924 657 T HN 0.366 nan 8.240 nan 0.000 0.456 658 L N 2.761 124.017 121.223 0.055 0.000 2.317 658 L HA 0.591 4.964 4.340 0.056 0.000 0.281 658 L C -0.523 176.348 176.870 0.002 0.000 1.024 658 L CA -0.817 54.060 54.840 0.060 0.000 0.810 658 L CB 1.500 43.579 42.059 0.033 0.000 1.240 658 L HN 0.634 nan 8.230 nan 0.000 0.427 659 D N 3.588 124.006 120.400 0.029 0.000 2.363 659 D HA 0.362 5.036 4.640 0.056 0.000 0.258 659 D C -0.611 175.707 176.300 0.029 0.000 1.259 659 D CA -0.190 53.813 54.000 0.006 0.000 0.921 659 D CB 1.092 41.922 40.800 0.050 0.000 1.201 659 D HN 0.196 nan 8.370 nan 0.000 0.524 660 L N 0.916 122.094 121.223 -0.075 0.000 2.371 660 L HA 0.765 5.138 4.340 0.056 0.000 0.272 660 L C 0.426 177.401 176.870 0.175 0.000 1.124 660 L CA -0.621 54.231 54.840 0.021 0.000 0.816 660 L CB 0.998 42.956 42.059 -0.168 0.000 1.129 660 L HN 0.259 nan 8.230 nan 0.000 0.448 661 A N 3.823 126.797 122.820 0.257 0.000 2.488 661 A HA 0.736 5.089 4.320 0.056 0.000 0.295 661 A C -1.179 176.512 177.584 0.179 0.000 1.045 661 A CA -0.516 51.661 52.037 0.234 0.000 0.703 661 A CB 1.266 20.349 19.000 0.138 0.000 1.271 661 A HN 0.481 nan 8.150 nan 0.000 0.400 662 L N 1.286 122.576 121.223 0.112 0.000 2.334 662 L HA 0.533 4.906 4.340 0.056 0.000 0.275 662 L C -0.051 176.835 176.870 0.025 0.000 1.036 662 L CA -0.146 54.718 54.840 0.040 0.000 0.807 662 L CB 0.846 42.854 42.059 -0.084 0.000 1.231 662 L HN 0.706 nan 8.230 nan 0.000 0.438 663 D N 1.667 122.085 120.400 0.030 0.000 2.829 663 D HA -0.175 4.498 4.640 0.056 0.000 0.219 663 D C -1.763 174.544 176.300 0.012 0.000 1.239 663 D CA 0.311 54.323 54.000 0.020 0.000 0.685 663 D CB -0.367 40.437 40.800 0.007 0.000 0.950 663 D HN 0.398 nan 8.370 nan 0.000 0.398 664 P HA -0.063 nan 4.420 nan 0.000 0.215 664 P C 1.668 178.960 177.300 -0.012 0.000 1.157 664 P CA 1.516 64.618 63.100 0.003 0.000 0.859 664 P CB 0.136 31.832 31.700 -0.007 0.000 0.786 665 G N 0.027 108.816 108.800 -0.019 0.000 2.509 665 G HA2 -0.155 3.839 3.960 0.056 0.000 0.218 665 G HA3 -0.155 3.839 3.960 0.056 0.000 0.218 665 G C 0.626 175.512 174.900 -0.023 0.000 1.124 665 G CA -0.002 45.082 45.100 -0.027 0.000 0.776 665 G HN 0.325 nan 8.290 nan 0.000 0.547 666 R N -0.340 120.150 120.500 -0.017 0.000 2.604 666 R HA 0.481 4.854 4.340 0.056 0.000 0.287 666 R C -0.318 175.973 176.300 -0.016 0.000 0.970 666 R CA -0.942 55.147 56.100 -0.019 0.000 0.946 666 R CB 1.064 31.352 30.300 -0.019 0.000 1.127 666 R HN -0.001 nan 8.270 nan 0.000 0.473 667 L N 2.004 123.217 121.223 -0.018 0.000 2.779 667 L HA 0.111 4.484 4.340 0.056 0.000 0.239 667 L C -0.064 176.796 176.870 -0.017 0.000 1.245 667 L CA 0.013 54.844 54.840 -0.015 0.000 1.064 667 L CB 0.041 42.091 42.059 -0.015 0.000 1.350 667 L HN 0.778 nan 8.230 nan 0.000 0.455 668 S N -1.669 114.020 115.700 -0.019 0.000 2.204 668 S HA 0.382 4.885 4.470 0.056 0.000 0.147 668 S C -2.579 172.008 174.600 -0.021 0.000 1.711 668 S CA -1.330 56.857 58.200 -0.022 0.000 1.274 668 S CB 0.558 63.740 63.200 -0.029 0.000 1.257 668 S HN -0.098 nan 8.310 nan 0.000 0.404 669 P HA 0.137 nan 4.420 nan 0.000 0.255 669 P C 0.437 177.719 177.300 -0.029 0.000 1.173 669 P CA 0.065 63.152 63.100 -0.021 0.000 0.780 669 P CB 0.317 32.006 31.700 -0.019 0.000 0.758 670 R N 2.416 122.900 120.500 -0.026 0.000 2.328 670 R HA 0.371 4.744 4.340 0.056 0.000 0.200 670 R C 0.350 176.626 176.300 -0.041 0.000 0.983 670 R CA 0.426 56.515 56.100 -0.018 0.000 1.062 670 R CB -0.144 30.168 30.300 0.021 0.000 0.956 670 R HN 0.607 nan 8.270 nan 0.000 0.479 671 A N -2.165 120.612 122.820 -0.072 0.000 2.462 671 A HA 0.513 4.866 4.320 0.056 0.000 0.299 671 A C -1.290 176.210 177.584 -0.140 0.000 1.047 671 A CA -0.251 51.719 52.037 -0.110 0.000 0.581 671 A CB 0.515 19.422 19.000 -0.156 0.000 1.466 671 A HN 0.188 nan 8.150 nan 0.000 0.616 672 T N -2.199 112.241 114.554 -0.189 0.000 2.957 672 T HA 0.623 5.007 4.350 0.056 0.000 0.336 672 T C -0.838 173.735 174.700 -0.212 0.000 1.462 672 T CA -0.547 61.446 62.100 -0.178 0.000 1.073 672 T CB 0.359 69.206 68.868 -0.036 0.000 1.319 672 T HN 0.922 nan 8.240 nan 0.000 0.485 673 F N 1.583 121.553 119.950 0.034 0.000 2.410 673 F HA 0.413 4.973 4.527 0.056 0.000 0.334 673 F C 2.181 178.012 175.800 0.053 0.000 1.134 673 F CA -0.485 57.545 58.000 0.050 0.000 1.227 673 F CB 0.949 39.964 39.000 0.025 0.000 1.194 673 F HN 0.780 nan 8.300 nan 0.000 0.571 674 Q N 0.835 120.794 119.800 0.264 0.000 2.123 674 Q HA -0.149 4.225 4.340 0.056 0.000 0.196 674 Q C 1.888 177.979 176.000 0.153 0.000 0.958 674 Q CA 1.081 56.982 55.803 0.164 0.000 0.841 674 Q CB 0.021 28.840 28.738 0.135 0.000 0.915 674 Q HN 0.764 nan 8.270 nan 0.000 0.455 675 E N -0.377 119.931 120.200 0.181 0.000 2.171 675 E HA -0.185 4.199 4.350 0.056 0.000 0.197 675 E C 1.468 178.128 176.600 0.099 0.000 0.997 675 E CA 1.917 58.396 56.400 0.132 0.000 0.810 675 E CB -0.136 29.651 29.700 0.146 0.000 0.738 675 E HN 0.300 nan 8.360 nan 0.000 0.467 676 T N -2.380 112.242 114.554 0.114 0.000 2.955 676 T HA 0.162 4.545 4.350 0.056 0.000 0.251 676 T C 0.804 175.560 174.700 0.093 0.000 1.002 676 T CA 0.679 62.830 62.100 0.085 0.000 0.970 676 T CB -0.125 68.782 68.868 0.065 0.000 1.091 676 T HN 0.269 nan 8.240 nan 0.000 0.495 677 K N -0.112 120.360 120.400 0.120 0.000 3.609 677 K HA -0.147 4.206 4.320 0.056 0.000 0.277 677 K C -0.336 176.316 176.600 0.086 0.000 1.196 677 K CA 0.897 57.238 56.287 0.091 0.000 1.022 677 K CB -1.367 31.170 32.500 0.062 0.000 1.292 677 K HN 0.344 nan 8.250 nan 0.000 0.484 678 N N 0.295 119.062 118.700 0.112 0.000 2.347 678 N HA 0.110 4.883 4.740 0.056 0.000 0.253 678 N C 0.810 176.396 175.510 0.127 0.000 1.274 678 N CA 0.355 53.466 53.050 0.103 0.000 0.941 678 N CB 0.497 39.043 38.487 0.099 0.000 1.200 678 N HN 0.280 nan 8.380 nan 0.000 0.514 679 R N -1.352 119.202 120.500 0.090 0.000 2.313 679 R HA 0.216 4.590 4.340 0.056 0.000 0.199 679 R C -0.334 176.068 176.300 0.171 0.000 0.958 679 R CA 0.113 56.247 56.100 0.056 0.000 1.047 679 R CB -0.474 29.841 30.300 0.025 0.000 0.955 679 R HN 0.420 nan 8.270 nan 0.000 0.481 680 S N -0.707 115.173 115.700 0.299 0.000 2.615 680 S HA 0.714 5.218 4.470 0.056 0.000 0.269 680 S C -1.117 173.592 174.600 0.180 0.000 1.161 680 S CA -0.808 57.614 58.200 0.371 0.000 0.817 680 S CB 1.524 64.831 63.200 0.178 0.000 1.131 680 S HN 0.339 nan 8.310 nan 0.000 0.467 681 L N -1.939 119.208 121.223 -0.128 0.000 2.671 681 L HA 1.005 5.379 4.340 0.056 0.000 0.259 681 L C -0.928 175.779 176.870 -0.272 0.000 1.021 681 L CA -0.432 54.249 54.840 -0.264 0.000 0.871 681 L CB 1.506 43.258 42.059 -0.512 0.000 1.472 681 L HN 0.909 nan 8.230 nan 0.000 0.410 682 S N 0.383 115.974 115.700 -0.182 0.000 2.540 682 S HA 0.873 5.376 4.470 0.056 0.000 0.275 682 S C -1.336 173.212 174.600 -0.087 0.000 1.123 682 S CA -0.659 57.465 58.200 -0.127 0.000 0.907 682 S CB 1.318 64.485 63.200 -0.056 0.000 1.081 682 S HN 0.833 nan 8.310 nan 0.000 0.476 683 R N 2.324 122.790 120.500 -0.056 0.000 2.535 683 R HA 0.398 4.772 4.340 0.056 0.000 0.274 683 R C -1.695 174.615 176.300 0.017 0.000 1.090 683 R CA -0.755 55.346 56.100 0.002 0.000 0.930 683 R CB 1.953 32.285 30.300 0.054 0.000 1.223 683 R HN 0.455 nan 8.270 nan 0.000 0.441 684 V N 4.430 124.352 119.914 0.014 0.000 2.385 684 V HA 0.424 4.577 4.120 0.056 0.000 0.269 684 V C 0.324 176.413 176.094 -0.007 0.000 1.043 684 V CA -0.197 62.106 62.300 0.005 0.000 0.906 684 V CB 0.775 32.600 31.823 0.003 0.000 0.995 684 V HN 0.597 nan 8.190 nan 0.000 0.467 685 R N 3.035 123.510 120.500 -0.043 0.000 2.867 685 R HA 0.683 5.056 4.340 0.056 0.000 0.268 685 R C -1.250 174.943 176.300 -0.179 0.000 1.014 685 R CA -0.946 55.084 56.100 -0.117 0.000 0.946 685 R CB 2.485 32.676 30.300 -0.181 0.000 1.208 685 R HN 0.441 nan 8.270 nan 0.000 0.477 686 V N 3.511 123.297 119.914 -0.214 0.000 2.432 686 V HA 0.343 4.497 4.120 0.056 0.000 0.275 686 V C -0.069 175.906 176.094 -0.198 0.000 1.043 686 V CA -0.359 61.852 62.300 -0.148 0.000 0.925 686 V CB 0.680 32.463 31.823 -0.067 0.000 0.985 686 V HN 0.504 nan 8.190 nan 0.000 0.466 687 L N 6.206 127.362 121.223 -0.113 0.000 2.472 687 L HA 0.910 5.284 4.340 0.056 0.000 0.256 687 L C 0.781 177.646 176.870 -0.009 0.000 1.111 687 L CA 0.095 54.899 54.840 -0.060 0.000 0.800 687 L CB 1.504 43.543 42.059 -0.032 0.000 1.286 687 L HN 0.818 nan 8.230 nan 0.000 0.479 688 G N -0.821 107.990 108.800 0.019 0.000 2.606 688 G HA2 0.372 4.365 3.960 0.056 0.000 0.300 688 G HA3 0.372 4.365 3.960 0.056 0.000 0.300 688 G C -0.368 174.547 174.900 0.024 0.000 1.360 688 G CA -0.540 44.571 45.100 0.019 0.000 0.783 688 G HN 0.493 nan 8.290 nan 0.000 0.484 689 L N -1.654 119.577 121.223 0.013 0.000 2.478 689 L HA 0.471 4.844 4.340 0.056 0.000 0.223 689 L C 0.978 177.885 176.870 0.061 0.000 1.140 689 L CA 0.788 55.639 54.840 0.018 0.000 0.842 689 L CB -0.530 41.525 42.059 -0.006 0.000 0.953 689 L HN 0.202 nan 8.230 nan 0.000 0.452 690 K N 1.922 122.355 120.400 0.054 0.000 2.183 690 K HA 0.663 5.017 4.320 0.056 0.000 0.274 690 K C 0.236 176.887 176.600 0.086 0.000 1.009 690 K CA -0.038 56.283 56.287 0.057 0.000 0.888 690 K CB 1.054 33.571 32.500 0.028 0.000 1.078 690 K HN 0.275 nan 8.250 nan 0.000 0.459 691 A N 3.253 126.121 122.820 0.081 0.000 2.609 691 A HA -0.004 4.349 4.320 0.056 0.000 0.235 691 A C -0.589 177.060 177.584 0.109 0.000 1.092 691 A CA 0.702 52.795 52.037 0.093 0.000 0.780 691 A CB -0.288 18.688 19.000 -0.040 0.000 1.031 691 A HN 0.915 nan 8.150 nan 0.000 0.515 692 H N -0.835 118.244 119.070 0.014 0.000 3.092 692 H HA 0.467 5.056 4.556 0.056 0.000 0.308 692 H C -1.345 173.971 175.328 -0.020 0.000 1.047 692 H CA -0.598 55.446 56.048 -0.006 0.000 1.466 692 H CB 0.615 30.379 29.762 0.003 0.000 1.597 692 H HN 0.657 nan 8.280 nan 0.000 0.512 693 c N 4.251 122.652 118.600 -0.331 0.000 2.273 693 c HA 0.453 5.057 4.570 0.056 0.000 0.328 693 c C -0.013 173.866 174.090 -0.352 0.000 1.275 693 c CA -0.574 55.611 56.329 -0.241 0.000 1.704 693 c CB -0.080 42.329 42.510 -0.168 0.000 2.326 693 c HN 0.865 nan 8.230 nan 0.000 0.517 694 E N 3.090 123.138 120.200 -0.254 0.000 2.246 694 E HA 0.362 4.746 4.350 0.056 0.000 0.266 694 E C -1.076 175.241 176.600 -0.472 0.000 0.880 694 E CA -0.349 55.829 56.400 -0.370 0.000 0.762 694 E CB 0.960 30.442 29.700 -0.363 0.000 1.180 694 E HN 0.834 nan 8.360 nan 0.000 0.416 695 N N 3.185 121.621 118.700 -0.440 0.000 2.456 695 N HA 0.372 5.145 4.740 0.056 0.000 0.288 695 N C -1.249 173.986 175.510 -0.459 0.000 1.059 695 N CA -0.231 52.634 53.050 -0.308 0.000 0.946 695 N CB 0.575 38.987 38.487 -0.125 0.000 1.150 695 N HN 0.168 nan 8.380 nan 0.000 0.479 696 F N -0.300 119.706 119.950 0.094 0.000 2.523 696 F HA 0.449 5.010 4.527 0.056 0.000 0.329 696 F C 0.419 176.332 175.800 0.188 0.000 1.061 696 F CA -1.093 56.993 58.000 0.144 0.000 0.967 696 F CB 1.250 40.359 39.000 0.181 0.000 1.218 696 F HN 0.275 nan 8.300 nan 0.000 0.480 697 N N 1.936 120.868 118.700 0.388 0.000 2.434 697 N HA 0.519 5.293 4.740 0.056 0.000 0.272 697 N C -1.265 174.400 175.510 0.259 0.000 1.040 697 N CA -0.324 52.878 53.050 0.254 0.000 0.956 697 N CB 1.391 39.983 38.487 0.174 0.000 1.108 697 N HN 0.311 nan 8.380 nan 0.000 0.481 698 L N 1.891 123.200 121.223 0.143 0.000 2.342 698 L HA 0.558 4.932 4.340 0.056 0.000 0.271 698 L C -0.651 176.215 176.870 -0.006 0.000 1.008 698 L CA -0.641 54.210 54.840 0.018 0.000 0.818 698 L CB 1.476 43.516 42.059 -0.033 0.000 1.296 698 L HN 0.264 nan 8.230 nan 0.000 0.427 699 L N 3.534 124.730 121.223 -0.044 0.000 2.342 699 L HA 0.521 4.894 4.340 0.056 0.000 0.276 699 L C -0.773 176.066 176.870 -0.051 0.000 0.997 699 L CA -0.029 54.794 54.840 -0.028 0.000 0.838 699 L CB 1.388 43.443 42.059 -0.007 0.000 1.224 699 L HN 0.368 nan 8.230 nan 0.000 0.416 700 L N 6.110 127.306 121.223 -0.045 0.000 2.264 700 L HA 0.485 4.859 4.340 0.056 0.000 0.289 700 L C -1.933 174.923 176.870 -0.023 0.000 1.044 700 L CA -1.793 53.021 54.840 -0.044 0.000 0.807 700 L CB 1.329 43.354 42.059 -0.056 0.000 1.192 700 L HN 0.347 nan 8.230 nan 0.000 0.425 701 P HA 0.010 nan 4.420 nan 0.000 0.268 701 P C 0.702 177.993 177.300 -0.015 0.000 1.204 701 P CA -0.163 62.926 63.100 -0.018 0.000 0.768 701 P CB 1.066 32.752 31.700 -0.024 0.000 0.842 702 S N 2.236 117.931 115.700 -0.009 0.000 2.380 702 S HA -0.173 4.331 4.470 0.056 0.000 0.229 702 S C 0.765 175.353 174.600 -0.020 0.000 1.043 702 S CA 0.874 59.073 58.200 -0.002 0.000 1.038 702 S CB -1.174 62.029 63.200 0.003 0.000 0.872 702 S HN 0.579 nan 8.310 nan 0.000 0.456 703 c N 1.851 120.427 118.600 -0.039 0.000 2.329 703 c HA 0.904 5.508 4.570 0.056 0.000 0.329 703 c C -0.005 174.027 174.090 -0.096 0.000 1.275 703 c CA -0.883 55.403 56.329 -0.072 0.000 1.726 703 c CB 0.610 43.088 42.510 -0.054 0.000 2.291 703 c HN 0.414 nan 8.230 nan 0.000 0.514 704 V N 2.608 122.424 119.914 -0.163 0.000 3.048 704 V HA 0.274 4.428 4.120 0.056 0.000 0.303 704 V C 0.220 176.175 176.094 -0.232 0.000 1.214 704 V CA -0.453 61.746 62.300 -0.168 0.000 0.984 704 V CB 1.854 33.593 31.823 -0.140 0.000 1.054 704 V HN 0.948 nan 8.190 nan 0.000 0.430 705 E N 0.744 120.837 120.200 -0.178 0.000 2.012 705 E HA -0.052 4.331 4.350 0.056 0.000 0.192 705 E C 0.193 176.656 176.600 -0.229 0.000 0.977 705 E CA 0.636 56.930 56.400 -0.176 0.000 0.832 705 E CB 0.093 29.722 29.700 -0.118 0.000 0.790 705 E HN 0.768 nan 8.360 nan 0.000 0.466 706 D N -0.026 120.250 120.400 -0.208 0.000 2.371 706 D HA -0.003 4.671 4.640 0.056 0.000 0.256 706 D C 0.263 176.299 176.300 -0.440 0.000 1.193 706 D CA 0.181 54.031 54.000 -0.251 0.000 0.881 706 D CB 1.041 41.733 40.800 -0.179 0.000 1.143 706 D HN 0.109 nan 8.370 nan 0.000 0.473 707 S N 1.603 116.971 115.700 -0.552 0.000 2.593 707 S HA -0.045 4.458 4.470 0.056 0.000 0.235 707 S C 1.945 175.969 174.600 -0.961 0.000 1.059 707 S CA 0.431 57.997 58.200 -1.056 0.000 0.953 707 S CB -0.452 62.449 63.200 -0.497 0.000 0.897 707 S HN 0.310 nan 8.310 nan 0.000 0.507 708 V N 2.282 121.916 119.914 -0.467 0.000 2.343 708 V HA 0.027 4.180 4.120 0.056 0.000 0.247 708 V C 1.420 177.385 176.094 -0.215 0.000 1.051 708 V CA 1.622 63.724 62.300 -0.330 0.000 1.036 708 V CB -2.274 29.422 31.823 -0.212 0.000 0.654 708 V HN 0.711 nan 8.190 nan 0.000 0.451 709 T N -0.385 114.051 114.554 -0.197 0.000 2.738 709 T HA 0.477 4.860 4.350 0.056 0.000 0.294 709 T C -2.288 172.420 174.700 0.014 0.000 0.914 709 T CA -1.739 60.326 62.100 -0.058 0.000 1.052 709 T CB 0.475 69.320 68.868 -0.038 0.000 0.897 709 T HN 0.348 nan 8.240 nan 0.000 0.522 710 P HA 0.066 nan 4.420 nan 0.000 0.267 710 P C 0.388 177.828 177.300 0.233 0.000 1.195 710 P CA -0.321 62.971 63.100 0.319 0.000 0.773 710 P CB 0.257 32.066 31.700 0.182 0.000 0.837 711 I N -1.233 119.463 120.570 0.210 0.000 2.416 711 I HA 0.333 4.537 4.170 0.056 0.000 0.288 711 I C 0.444 176.578 176.117 0.028 0.000 1.051 711 I CA -0.568 60.777 61.300 0.076 0.000 1.375 711 I CB 0.716 38.715 38.000 -0.001 0.000 1.407 711 I HN 0.228 nan 8.210 nan 0.000 0.516 712 T N 4.884 119.483 114.554 0.076 0.000 2.913 712 T HA 0.580 4.964 4.350 0.056 0.000 0.287 712 T C -0.473 174.328 174.700 0.169 0.000 1.008 712 T CA -0.776 61.403 62.100 0.131 0.000 1.067 712 T CB 1.979 70.912 68.868 0.109 0.000 0.996 712 T HN 0.706 nan 8.240 nan 0.000 0.513 713 L N 2.678 124.062 121.223 0.268 0.000 2.504 713 L HA 0.605 4.978 4.340 0.056 0.000 0.265 713 L C -0.729 176.293 176.870 0.254 0.000 0.975 713 L CA -0.951 54.063 54.840 0.289 0.000 0.864 713 L CB 1.347 43.666 42.059 0.434 0.000 1.212 713 L HN 0.970 nan 8.230 nan 0.000 0.416 714 R N 3.768 124.399 120.500 0.218 0.000 2.732 714 R HA 0.839 5.213 4.340 0.056 0.000 0.278 714 R C -1.539 174.906 176.300 0.242 0.000 0.976 714 R CA -0.739 55.497 56.100 0.227 0.000 0.963 714 R CB 1.443 31.852 30.300 0.182 0.000 1.150 714 R HN 0.405 nan 8.270 nan 0.000 0.478 715 L N -0.378 121.017 121.223 0.288 0.000 2.365 715 L HA 0.633 5.006 4.340 0.056 0.000 0.273 715 L C -0.888 176.184 176.870 0.338 0.000 1.000 715 L CA -0.956 54.047 54.840 0.273 0.000 0.819 715 L CB 1.895 44.094 42.059 0.234 0.000 1.284 715 L HN 0.745 nan 8.230 nan 0.000 0.418 716 N N 2.876 121.734 118.700 0.264 0.000 2.444 716 N HA 0.507 5.280 4.740 0.056 0.000 0.262 716 N C -1.499 174.096 175.510 0.142 0.000 0.974 716 N CA -0.413 52.708 53.050 0.118 0.000 0.933 716 N CB 0.939 39.518 38.487 0.153 0.000 1.137 716 N HN 0.688 nan 8.380 nan 0.000 0.498 717 F N 0.944 120.850 119.950 -0.074 0.000 2.576 717 F HA 0.789 5.350 4.527 0.056 0.000 0.313 717 F C -0.113 175.653 175.800 -0.055 0.000 1.078 717 F CA -0.658 57.324 58.000 -0.031 0.000 0.921 717 F CB 1.324 40.340 39.000 0.026 0.000 1.232 717 F HN 0.391 nan 8.300 nan 0.000 0.459 718 T N 0.048 114.560 114.554 -0.069 0.000 2.584 718 T HA 0.633 5.016 4.350 0.056 0.000 0.273 718 T C -1.409 173.298 174.700 0.011 0.000 0.978 718 T CA -0.932 61.074 62.100 -0.158 0.000 1.159 718 T CB 1.184 69.967 68.868 -0.141 0.000 1.556 718 T HN 0.782 nan 8.240 nan 0.000 0.472 719 L N 1.613 122.831 121.223 -0.008 0.000 2.433 719 L HA 0.612 4.985 4.340 0.056 0.000 0.256 719 L C -0.207 176.669 176.870 0.011 0.000 1.063 719 L CA -0.834 54.020 54.840 0.024 0.000 0.922 719 L CB 1.432 43.507 42.059 0.028 0.000 1.238 719 L HN 0.566 nan 8.230 nan 0.000 0.466 720 V N 3.014 122.936 119.914 0.013 0.000 3.003 720 V HA 0.642 4.795 4.120 0.056 0.000 0.305 720 V C 1.311 177.408 176.094 0.005 0.000 1.078 720 V CA 1.368 63.672 62.300 0.007 0.000 1.083 720 V CB 1.341 33.169 31.823 0.007 0.000 1.039 720 V HN 0.921 nan 8.190 nan 0.000 0.481 721 G N 3.353 112.156 108.800 0.005 0.000 5.452 721 G HA2 -0.380 3.614 3.960 0.056 0.000 0.310 721 G HA3 -0.380 3.614 3.960 0.056 0.000 0.310 721 G C 0.627 175.530 174.900 0.006 0.000 1.392 721 G CA 0.640 45.743 45.100 0.004 0.000 0.942 721 G HN 1.447 nan 8.290 nan 0.000 0.776 722 K N -0.469 119.930 120.400 -0.001 0.000 3.339 722 K HA -0.144 4.210 4.320 0.056 0.000 0.299 722 K C -2.511 174.075 176.600 -0.023 0.000 1.270 722 K CA 1.022 57.308 56.287 -0.002 0.000 0.875 722 K CB -1.584 30.926 32.500 0.017 0.000 1.298 722 K HN 0.689 nan 8.250 nan 0.000 0.485 723 P HA 0.355 nan 4.420 nan 0.000 0.297 723 P C -0.672 176.553 177.300 -0.125 0.000 1.331 723 P CA -0.255 62.778 63.100 -0.113 0.000 0.803 723 P CB 0.843 32.486 31.700 -0.096 0.000 0.929 724 L N 5.395 126.517 121.223 -0.169 0.000 2.529 724 L HA 0.199 4.573 4.340 0.056 0.000 0.260 724 L C 0.733 177.506 176.870 -0.161 0.000 0.997 724 L CA -0.655 54.108 54.840 -0.129 0.000 0.885 724 L CB 1.425 43.436 42.059 -0.081 0.000 1.185 724 L HN 0.269 nan 8.230 nan 0.000 0.442 725 L N 2.430 123.560 121.223 -0.155 0.000 4.565 725 L HA -0.346 4.028 4.340 0.056 0.000 0.053 725 L C 0.518 177.262 176.870 -0.210 0.000 3.654 725 L CA 2.312 57.069 54.840 -0.137 0.000 1.224 725 L CB -1.046 40.964 42.059 -0.082 0.000 3.186 725 L HN 0.675 nan 8.230 nan 0.000 0.916 726 A N -1.236 121.490 122.820 -0.157 0.000 2.242 726 A HA 0.613 4.966 4.320 0.056 0.000 0.304 726 A C 0.079 177.529 177.584 -0.224 0.000 1.100 726 A CA 0.255 52.210 52.037 -0.136 0.000 0.860 726 A CB 0.134 19.140 19.000 0.010 0.000 1.168 726 A HN 0.468 nan 8.150 nan 0.000 0.503 727 F N -0.302 119.656 119.950 0.013 0.000 2.757 727 F HA 0.205 4.766 4.527 0.056 0.000 0.292 727 F C 1.648 177.459 175.800 0.019 0.000 1.204 727 F CA 0.167 58.177 58.000 0.015 0.000 1.417 727 F CB -0.055 38.956 39.000 0.018 0.000 1.001 727 F HN 0.511 nan 8.300 nan 0.000 0.508 728 R N 0.400 120.967 120.500 0.112 0.000 2.317 728 R HA 0.045 4.419 4.340 0.056 0.000 0.208 728 R C 1.505 177.829 176.300 0.039 0.000 0.914 728 R CA 0.443 56.588 56.100 0.075 0.000 1.060 728 R CB -0.132 30.196 30.300 0.046 0.000 1.015 728 R HN 0.381 nan 8.270 nan 0.000 0.498 729 N N 0.305 119.026 118.700 0.035 0.000 2.503 729 N HA 0.014 4.788 4.740 0.056 0.000 0.210 729 N C 1.223 176.760 175.510 0.045 0.000 1.077 729 N CA 0.076 53.140 53.050 0.022 0.000 0.855 729 N CB 0.348 38.834 38.487 -0.001 0.000 1.323 729 N HN 0.047 nan 8.380 nan 0.000 0.452 730 L N -0.253 121.014 121.223 0.073 0.000 4.142 730 L HA -0.364 4.009 4.340 0.056 0.000 0.053 730 L C 0.293 177.202 176.870 0.065 0.000 3.897 730 L CA 2.362 57.264 54.840 0.104 0.000 1.100 730 L CB -1.066 41.060 42.059 0.110 0.000 3.275 730 L HN 0.542 nan 8.230 nan 0.000 0.858 731 R N 1.406 121.940 120.500 0.056 0.000 2.288 731 R HA 0.571 4.944 4.340 0.056 0.000 0.326 731 R C -2.882 173.445 176.300 0.046 0.000 0.959 731 R CA -1.680 54.449 56.100 0.048 0.000 0.834 731 R CB 1.633 31.962 30.300 0.049 0.000 1.157 731 R HN 0.004 nan 8.270 nan 0.000 0.470 732 P HA 0.382 nan 4.420 nan 0.000 0.279 732 P C -0.725 176.616 177.300 0.068 0.000 1.276 732 P CA -0.785 62.346 63.100 0.053 0.000 0.801 732 P CB 1.009 32.733 31.700 0.040 0.000 1.127 733 M N -1.980 117.678 119.600 0.097 0.000 3.084 733 M HA 0.485 4.999 4.480 0.056 0.000 0.273 733 M C -1.776 174.616 176.300 0.152 0.000 1.242 733 M CA -0.904 54.461 55.300 0.109 0.000 0.819 733 M CB 0.998 33.677 32.600 0.132 0.000 1.625 733 M HN -0.066 nan 8.290 nan 0.000 0.493 734 L N 1.078 122.372 121.223 0.118 0.000 2.376 734 L HA 0.941 5.315 4.340 0.056 0.000 0.267 734 L C 0.429 177.374 176.870 0.126 0.000 1.035 734 L CA -0.918 54.002 54.840 0.132 0.000 0.800 734 L CB 1.557 43.619 42.059 0.004 0.000 1.290 734 L HN 0.948 nan 8.230 nan 0.000 0.462 735 A N 0.168 123.039 122.820 0.085 0.000 2.257 735 A HA 0.639 4.992 4.320 0.056 0.000 0.290 735 A C 0.994 178.290 177.584 -0.481 0.000 1.201 735 A CA 0.404 52.366 52.037 -0.125 0.000 0.863 735 A CB 0.281 19.164 19.000 -0.196 0.000 1.256 735 A HN 0.852 nan 8.150 nan 0.000 0.506 736 A N -0.784 121.620 122.820 -0.693 0.000 1.855 736 A HA 0.011 4.364 4.320 0.056 0.000 0.215 736 A C 0.688 178.064 177.584 -0.348 0.000 1.191 736 A CA 1.587 53.268 52.037 -0.595 0.000 0.613 736 A CB -0.584 18.094 19.000 -0.537 0.000 0.829 736 A HN 0.651 nan 8.150 nan 0.000 0.442 737 D N 0.890 121.111 120.400 -0.298 0.000 2.688 737 D HA 0.443 5.117 4.640 0.056 0.000 0.228 737 D C -0.337 175.862 176.300 -0.169 0.000 1.116 737 D CA 0.473 54.350 54.000 -0.205 0.000 1.023 737 D CB 0.002 40.694 40.800 -0.180 0.000 1.100 737 D HN 0.343 nan 8.370 nan 0.000 0.487 738 A N 2.235 124.952 122.820 -0.173 0.000 2.444 738 A HA 0.179 4.532 4.320 0.056 0.000 0.332 738 A C 0.577 178.047 177.584 -0.190 0.000 1.430 738 A CA -0.693 51.263 52.037 -0.136 0.000 0.975 738 A CB 0.428 19.314 19.000 -0.190 0.000 1.147 738 A HN 0.088 nan 8.150 nan 0.000 0.524 739 Q N 2.227 121.928 119.800 -0.165 0.000 2.945 739 Q HA 0.068 4.442 4.340 0.056 0.000 0.323 739 Q C 0.867 176.363 176.000 -0.839 0.000 1.188 739 Q CA 0.003 55.543 55.803 -0.439 0.000 0.929 739 Q CB -0.226 28.276 28.738 -0.394 0.000 1.531 739 Q HN 0.768 nan 8.270 nan 0.000 0.444 740 R N -0.264 119.915 120.500 -0.535 0.000 2.261 740 R HA -0.138 4.236 4.340 0.056 0.000 0.236 740 R C -0.119 175.908 176.300 -0.455 0.000 1.141 740 R CA 0.978 56.743 56.100 -0.558 0.000 1.001 740 R CB 0.062 29.853 30.300 -0.849 0.000 0.866 740 R HN 0.244 nan 8.270 nan 0.000 0.468 741 Y N 0.021 120.110 120.300 -0.352 0.000 2.594 741 Y HA 0.219 4.802 4.550 0.056 0.000 0.342 741 Y C -0.556 175.179 175.900 -0.274 0.000 1.010 741 Y CA -0.978 57.005 58.100 -0.195 0.000 1.270 741 Y CB 0.155 38.540 38.460 -0.125 0.000 1.125 741 Y HN -0.199 nan 8.280 nan 0.000 0.513 742 F N 1.077 121.202 119.950 0.292 0.000 2.444 742 F HA 0.556 5.117 4.527 0.056 0.000 0.342 742 F C 0.337 176.243 175.800 0.177 0.000 1.121 742 F CA -0.939 57.183 58.000 0.203 0.000 0.997 742 F CB 1.775 40.874 39.000 0.164 0.000 1.130 742 F HN 0.120 nan 8.300 nan 0.000 0.454 743 T N 2.470 117.230 114.554 0.343 0.000 2.863 743 T HA 0.839 5.223 4.350 0.056 0.000 0.285 743 T C -0.798 174.035 174.700 0.222 0.000 1.009 743 T CA -0.763 61.487 62.100 0.249 0.000 0.989 743 T CB 1.798 70.783 68.868 0.195 0.000 1.004 743 T HN 0.687 nan 8.240 nan 0.000 0.455 744 A N 2.009 124.963 122.820 0.223 0.000 2.386 744 A HA 0.841 5.194 4.320 0.056 0.000 0.311 744 A C 0.019 177.862 177.584 0.432 0.000 1.068 744 A CA -0.856 51.322 52.037 0.236 0.000 0.743 744 A CB 1.285 20.323 19.000 0.063 0.000 1.258 744 A HN 0.882 nan 8.150 nan 0.000 0.429 745 S N 1.175 117.121 115.700 0.409 0.000 2.608 745 S HA 0.759 5.263 4.470 0.056 0.000 0.291 745 S C -0.580 174.172 174.600 0.253 0.000 1.146 745 S CA -0.651 57.734 58.200 0.308 0.000 1.043 745 S CB 1.314 64.626 63.200 0.187 0.000 1.037 745 S HN 0.958 nan 8.310 nan 0.000 0.520 746 L N 2.472 123.594 121.223 -0.167 0.000 2.342 746 L HA 0.534 4.907 4.340 0.056 0.000 0.276 746 L C -2.775 173.959 176.870 -0.227 0.000 0.997 746 L CA -2.372 52.191 54.840 -0.462 0.000 0.838 746 L CB 2.177 43.530 42.059 -1.176 0.000 1.224 746 L HN 0.527 nan 8.230 nan 0.000 0.416 747 P HA 0.371 nan 4.420 nan 0.000 0.279 747 P C -1.243 176.041 177.300 -0.027 0.000 1.282 747 P CA -0.147 63.004 63.100 0.084 0.000 0.788 747 P CB 0.680 32.434 31.700 0.091 0.000 1.139 748 F N -1.622 118.315 119.950 -0.022 0.000 2.598 748 F HA 0.338 4.899 4.527 0.056 0.000 0.327 748 F C 0.933 176.708 175.800 -0.042 0.000 1.057 748 F CA -0.970 57.030 58.000 0.001 0.000 0.957 748 F CB 0.793 39.843 39.000 0.083 0.000 1.278 748 F HN 0.234 nan 8.300 nan 0.000 0.484 749 E N 2.155 122.418 120.200 0.104 0.000 1.814 749 E HA 0.079 4.463 4.350 0.056 0.000 0.264 749 E C -0.479 176.025 176.600 -0.159 0.000 1.179 749 E CA -0.552 55.824 56.400 -0.041 0.000 0.972 749 E CB 0.211 29.856 29.700 -0.092 0.000 1.077 749 E HN 0.384 nan 8.360 nan 0.000 0.417 750 K N 3.552 123.887 120.400 -0.108 0.000 2.484 750 K HA -0.025 4.328 4.320 0.056 0.000 0.280 750 K C -0.645 175.836 176.600 -0.198 0.000 1.013 750 K CA -0.099 56.077 56.287 -0.185 0.000 1.029 750 K CB 0.206 32.564 32.500 -0.237 0.000 0.902 750 K HN 0.323 nan 8.250 nan 0.000 0.481 751 N N 3.569 122.119 118.700 -0.251 0.000 2.412 751 N HA -0.043 4.730 4.740 0.056 0.000 0.279 751 N C 0.096 175.582 175.510 -0.039 0.000 1.287 751 N CA 0.003 52.950 53.050 -0.171 0.000 0.948 751 N CB -0.180 38.229 38.487 -0.131 0.000 1.255 751 N HN 0.637 nan 8.380 nan 0.000 0.485 752 c N 1.151 119.750 118.600 -0.003 0.000 2.396 752 c HA 0.694 5.297 4.570 0.056 0.000 0.334 752 c C 0.890 175.024 174.090 0.073 0.000 1.313 752 c CA -0.078 56.294 56.329 0.072 0.000 1.719 752 c CB -1.549 41.036 42.510 0.124 0.000 1.893 752 c HN 0.717 nan 8.230 nan 0.000 0.589 753 G N -0.598 108.222 108.800 0.033 0.000 2.371 753 G HA2 0.413 4.407 3.960 0.056 0.000 0.663 753 G HA3 0.413 4.407 3.960 0.056 0.000 0.663 753 G C 0.313 175.226 174.900 0.022 0.000 1.311 753 G CA -0.346 44.771 45.100 0.028 0.000 0.985 753 G HN 1.212 nan 8.290 nan 0.000 0.566 754 A N -0.339 122.493 122.820 0.021 0.000 2.239 754 A HA 0.459 4.813 4.320 0.056 0.000 0.209 754 A C 1.055 178.653 177.584 0.023 0.000 1.171 754 A CA 2.421 54.468 52.037 0.017 0.000 0.768 754 A CB -0.637 18.373 19.000 0.015 0.000 0.790 754 A HN 1.743 nan 8.150 nan 0.000 0.478 755 D N -5.701 114.726 120.400 0.044 0.000 3.734 755 D HA 0.230 4.903 4.640 0.056 0.000 0.350 755 D C 0.308 176.687 176.300 0.131 0.000 1.511 755 D CA 0.222 54.256 54.000 0.057 0.000 0.956 755 D CB -0.097 40.733 40.800 0.051 0.000 1.470 755 D HN 0.222 nan 8.370 nan 0.000 0.598 756 H N -1.404 117.659 119.070 -0.012 0.000 3.882 756 H HA -0.208 4.382 4.556 0.056 0.000 0.165 756 H C 1.039 176.360 175.328 -0.012 0.000 0.896 756 H CA 1.705 57.747 56.048 -0.011 0.000 1.243 756 H CB -1.008 28.749 29.762 -0.009 0.000 0.958 756 H HN 0.787 nan 8.280 nan 0.000 0.400 757 I N -1.661 118.850 120.570 -0.097 0.000 4.063 757 I HA -0.379 3.825 4.170 0.056 0.000 0.156 757 I C 0.599 176.633 176.117 -0.138 0.000 1.137 757 I CA 1.481 62.703 61.300 -0.129 0.000 1.255 757 I CB -1.812 36.099 38.000 -0.148 0.000 1.568 757 I HN 0.943 nan 8.210 nan 0.000 0.223 758 c N 1.828 120.330 118.600 -0.164 0.000 3.234 758 c HA -0.128 4.475 4.570 0.056 0.000 0.291 758 c C 0.579 174.624 174.090 -0.076 0.000 1.089 758 c CA 0.149 56.446 56.329 -0.054 0.000 2.493 758 c CB -2.194 40.312 42.510 -0.006 0.000 1.512 758 c HN 0.555 nan 8.230 nan 0.000 0.495 759 Q N 1.226 120.957 119.800 -0.114 0.000 2.294 759 Q HA 0.235 4.608 4.340 0.056 0.000 0.257 759 Q C 0.122 176.117 176.000 -0.009 0.000 0.955 759 Q CA 0.314 56.076 55.803 -0.069 0.000 0.936 759 Q CB 0.978 29.660 28.738 -0.094 0.000 1.188 759 Q HN 0.531 nan 8.270 nan 0.000 0.420 760 D N 2.758 123.160 120.400 0.005 0.000 2.374 760 D HA 0.085 4.759 4.640 0.056 0.000 0.240 760 D C -0.352 175.965 176.300 0.029 0.000 1.229 760 D CA 0.070 54.087 54.000 0.029 0.000 0.895 760 D CB 0.215 41.038 40.800 0.039 0.000 1.046 760 D HN 0.262 nan 8.370 nan 0.000 0.498 761 N N 3.602 122.320 118.700 0.029 0.000 2.573 761 N HA 0.333 5.107 4.740 0.056 0.000 0.262 761 N C -1.605 173.941 175.510 0.061 0.000 1.029 761 N CA -0.405 52.665 53.050 0.033 0.000 0.882 761 N CB 0.523 39.015 38.487 0.009 0.000 1.204 761 N HN 0.197 nan 8.380 nan 0.000 0.519 762 L N 1.476 122.761 121.223 0.103 0.000 2.408 762 L HA 0.810 5.183 4.340 0.056 0.000 0.268 762 L C 0.741 177.746 176.870 0.224 0.000 0.986 762 L CA -1.120 53.829 54.840 0.182 0.000 0.820 762 L CB 2.261 44.441 42.059 0.202 0.000 1.303 762 L HN 0.459 nan 8.230 nan 0.000 0.411 763 G N 1.649 110.676 108.800 0.378 0.000 2.667 763 G HA2 0.876 4.870 3.960 0.056 0.000 0.310 763 G HA3 0.876 4.870 3.960 0.056 0.000 0.310 763 G C -1.514 173.700 174.900 0.524 0.000 1.259 763 G CA -0.615 44.786 45.100 0.502 0.000 1.019 763 G HN 0.602 nan 8.290 nan 0.000 0.496 764 I N -1.230 119.604 120.570 0.440 0.000 2.828 764 I HA 0.644 4.848 4.170 0.056 0.000 0.295 764 I C -1.475 174.499 176.117 -0.237 0.000 1.459 764 I CA -0.583 60.709 61.300 -0.013 0.000 1.015 764 I CB 2.175 40.203 38.000 0.045 0.000 1.345 764 I HN 0.726 nan 8.210 nan 0.000 0.449 765 S N 5.712 121.031 115.700 -0.635 0.000 2.563 765 S HA 0.722 5.226 4.470 0.056 0.000 0.279 765 S C -1.482 172.646 174.600 -0.787 0.000 1.155 765 S CA -0.523 56.983 58.200 -1.157 0.000 0.928 765 S CB 0.985 63.702 63.200 -0.804 0.000 1.107 765 S HN 0.637 nan 8.310 nan 0.000 0.462 766 F N 1.814 121.330 119.950 -0.723 0.000 2.620 766 F HA 0.961 5.522 4.527 0.056 0.000 0.320 766 F C -0.171 175.471 175.800 -0.265 0.000 1.069 766 F CA -0.607 57.172 58.000 -0.369 0.000 0.953 766 F CB 1.236 40.099 39.000 -0.228 0.000 1.322 766 F HN 0.615 nan 8.300 nan 0.000 0.479 767 S N -0.102 115.572 115.700 -0.042 0.000 2.776 767 S HA 0.811 5.314 4.470 0.056 0.000 0.292 767 S C -1.855 172.505 174.600 -0.399 0.000 1.187 767 S CA -0.778 57.336 58.200 -0.144 0.000 0.834 767 S CB 1.774 64.939 63.200 -0.057 0.000 1.199 767 S HN 0.552 nan 8.310 nan 0.000 0.514 768 F N 1.328 121.349 119.950 0.118 0.000 2.610 768 F HA 0.512 5.073 4.527 0.056 0.000 0.355 768 F C -2.746 173.075 175.800 0.035 0.000 1.140 768 F CA -1.899 56.139 58.000 0.064 0.000 1.037 768 F CB 1.479 40.515 39.000 0.060 0.000 1.287 768 F HN 0.287 nan 8.300 nan 0.000 0.457 769 P HA 0.288 nan 4.420 nan 0.000 0.269 769 P C 0.858 178.211 177.300 0.089 0.000 1.252 769 P CA 0.545 63.702 63.100 0.095 0.000 0.780 769 P CB 0.726 32.459 31.700 0.054 0.000 0.829 770 G N 2.802 111.646 108.800 0.074 0.000 2.234 770 G HA2 -0.297 3.696 3.960 0.056 0.000 0.260 770 G HA3 -0.297 3.696 3.960 0.056 0.000 0.260 770 G C 0.073 174.999 174.900 0.043 0.000 0.987 770 G CA -0.137 44.992 45.100 0.049 0.000 0.625 770 G HN 0.597 nan 8.290 nan 0.000 0.532 771 L N 1.929 123.190 121.223 0.063 0.000 2.700 771 L HA 0.409 4.782 4.340 0.056 0.000 0.272 771 L C 0.874 177.746 176.870 0.004 0.000 1.176 771 L CA 0.760 55.611 54.840 0.017 0.000 0.961 771 L CB -0.005 42.053 42.059 -0.003 0.000 1.249 771 L HN 0.401 nan 8.230 nan 0.000 0.487 772 K N 3.401 123.793 120.400 -0.014 0.000 2.473 772 K HA 0.505 4.858 4.320 0.056 0.000 0.246 772 K C 0.518 177.101 176.600 -0.028 0.000 1.011 772 K CA -0.007 56.273 56.287 -0.012 0.000 0.984 772 K CB 1.104 33.602 32.500 -0.003 0.000 1.250 772 K HN 0.600 nan 8.250 nan 0.000 0.454 773 S N 2.236 117.915 115.700 -0.035 0.000 1.466 773 S HA -0.232 4.272 4.470 0.056 0.000 0.244 773 S C -0.041 174.512 174.600 -0.079 0.000 0.723 773 S CA 1.100 59.273 58.200 -0.044 0.000 1.234 773 S CB -1.338 61.846 63.200 -0.027 0.000 1.451 773 S HN 1.563 nan 8.310 nan 0.000 0.507 774 L N 0.691 121.860 121.223 -0.090 0.000 3.295 774 L HA -0.063 4.311 4.340 0.056 0.000 0.686 774 L C -0.621 176.158 176.870 -0.151 0.000 1.088 774 L CA 1.455 56.218 54.840 -0.129 0.000 1.255 774 L CB -1.586 40.368 42.059 -0.174 0.000 1.713 774 L HN 0.899 nan 8.230 nan 0.000 0.868 775 L N 2.438 123.591 121.223 -0.118 0.000 2.331 775 L HA 0.912 5.286 4.340 0.056 0.000 0.275 775 L C 0.122 176.922 176.870 -0.116 0.000 1.022 775 L CA -0.809 53.948 54.840 -0.137 0.000 0.812 775 L CB 1.631 43.667 42.059 -0.038 0.000 1.257 775 L HN 0.071 nan 8.230 nan 0.000 0.435 776 V N 3.592 123.415 119.914 -0.151 0.000 2.387 776 V HA 0.607 4.760 4.120 0.056 0.000 0.260 776 V C 0.997 177.128 176.094 0.062 0.000 1.054 776 V CA 0.987 63.266 62.300 -0.036 0.000 0.967 776 V CB -0.631 31.219 31.823 0.045 0.000 1.036 776 V HN 1.215 nan 8.190 nan 0.000 0.481 777 G N 4.045 112.869 108.800 0.040 0.000 4.083 777 G HA2 -0.128 3.866 3.960 0.056 0.000 0.179 777 G HA3 -0.128 3.866 3.960 0.056 0.000 0.179 777 G C 0.389 175.306 174.900 0.028 0.000 2.061 777 G CA 0.156 45.287 45.100 0.052 0.000 1.122 777 G HN 0.583 nan 8.290 nan 0.000 0.350 778 S N 0.713 116.425 115.700 0.020 0.000 2.634 778 S HA 0.463 4.966 4.470 0.056 0.000 0.261 778 S C 0.509 175.100 174.600 -0.014 0.000 1.271 778 S CA 0.362 58.564 58.200 0.004 0.000 0.985 778 S CB 0.247 63.451 63.200 0.006 0.000 0.968 778 S HN 0.880 nan 8.310 nan 0.000 0.568 779 N N 0.090 118.778 118.700 -0.021 0.000 2.667 779 N HA -0.180 4.594 4.740 0.056 0.000 0.263 779 N C 0.169 175.658 175.510 -0.035 0.000 1.038 779 N CA 0.292 53.319 53.050 -0.037 0.000 0.749 779 N CB -1.140 37.310 38.487 -0.061 0.000 0.892 779 N HN 0.494 nan 8.380 nan 0.000 0.546 780 L N 0.480 121.692 121.223 -0.019 0.000 2.034 780 L HA -0.033 4.340 4.340 0.056 0.000 0.203 780 L C 1.357 178.219 176.870 -0.013 0.000 1.074 780 L CA 0.959 55.793 54.840 -0.010 0.000 0.748 780 L CB 0.049 42.107 42.059 -0.001 0.000 0.905 780 L HN 0.464 nan 8.230 nan 0.000 0.439 781 E N 0.840 121.030 120.200 -0.016 0.000 2.354 781 E HA 0.245 4.628 4.350 0.056 0.000 0.269 781 E C -0.922 175.670 176.600 -0.014 0.000 1.036 781 E CA -0.525 55.866 56.400 -0.015 0.000 0.876 781 E CB 1.328 31.014 29.700 -0.024 0.000 1.009 781 E HN 0.107 nan 8.360 nan 0.000 0.416 782 L N 3.708 124.938 121.223 0.012 0.000 2.345 782 L HA 0.346 4.719 4.340 0.056 0.000 0.274 782 L C -1.488 175.443 176.870 0.101 0.000 0.999 782 L CA -0.753 54.089 54.840 0.002 0.000 0.849 782 L CB 1.185 43.210 42.059 -0.056 0.000 1.220 782 L HN 0.507 nan 8.230 nan 0.000 0.422 783 N N 4.405 123.170 118.700 0.108 0.000 2.411 783 N HA 0.528 5.301 4.740 0.056 0.000 0.259 783 N C -0.450 175.232 175.510 0.286 0.000 1.103 783 N CA -0.083 53.054 53.050 0.145 0.000 0.954 783 N CB 1.611 40.148 38.487 0.084 0.000 1.085 783 N HN 0.645 nan 8.380 nan 0.000 0.485 784 A N 1.982 124.912 122.820 0.183 0.000 2.287 784 A HA 0.288 4.641 4.320 0.056 0.000 0.317 784 A C 0.034 177.525 177.584 -0.155 0.000 1.220 784 A CA -0.738 51.291 52.037 -0.013 0.000 0.835 784 A CB 0.601 19.524 19.000 -0.127 0.000 1.180 784 A HN 0.633 nan 8.150 nan 0.000 0.500 785 E N 2.912 122.999 120.200 -0.188 0.000 2.028 785 E HA 0.388 4.772 4.350 0.056 0.000 0.266 785 E C -1.295 175.158 176.600 -0.245 0.000 0.962 785 E CA -0.259 56.022 56.400 -0.199 0.000 0.784 785 E CB 0.973 30.600 29.700 -0.122 0.000 1.114 785 E HN 0.464 nan 8.360 nan 0.000 0.414 786 V N 6.258 125.937 119.914 -0.393 0.000 2.407 786 V HA 0.383 4.537 4.120 0.056 0.000 0.278 786 V C -0.258 175.573 176.094 -0.438 0.000 1.037 786 V CA -0.419 61.663 62.300 -0.363 0.000 0.900 786 V CB 1.385 32.963 31.823 -0.409 0.000 0.983 786 V HN 0.810 nan 8.190 nan 0.000 0.459 787 M N 6.624 125.997 119.600 -0.378 0.000 2.573 787 M HA 0.768 5.281 4.480 0.056 0.000 0.309 787 M C -1.425 174.542 176.300 -0.556 0.000 1.202 787 M CA -0.422 54.614 55.300 -0.440 0.000 0.975 787 M CB 1.948 34.261 32.600 -0.479 0.000 1.600 787 M HN 0.568 nan 8.290 nan 0.000 0.479 788 V N 2.955 122.523 119.914 -0.577 0.000 3.077 788 V HA 0.539 4.693 4.120 0.056 0.000 0.299 788 V C -1.882 174.041 176.094 -0.285 0.000 1.276 788 V CA -0.529 61.495 62.300 -0.460 0.000 0.993 788 V CB 2.375 34.108 31.823 -0.149 0.000 1.076 788 V HN 0.939 nan 8.190 nan 0.000 0.434 789 W N 2.739 124.164 121.300 0.208 0.000 2.594 789 W HA 0.556 5.250 4.660 0.056 0.000 0.365 789 W C -0.061 176.566 176.519 0.179 0.000 1.196 789 W CA -0.659 56.801 57.345 0.193 0.000 1.258 789 W CB 1.593 31.090 29.460 0.063 0.000 1.405 789 W HN 0.651 nan 8.180 nan 0.000 0.640 790 N N 0.951 119.756 118.700 0.174 0.000 2.732 790 N HA 0.069 4.842 4.740 0.056 0.000 0.235 790 N C -0.761 174.694 175.510 -0.091 0.000 1.466 790 N CA -0.001 52.959 53.050 -0.151 0.000 0.751 790 N CB -0.094 37.863 38.487 -0.885 0.000 1.317 790 N HN 0.097 nan 8.380 nan 0.000 0.525 791 D N 0.019 120.418 120.400 -0.000 0.000 2.325 791 D HA 0.245 4.918 4.640 0.056 0.000 0.234 791 D C 0.793 177.078 176.300 -0.024 0.000 1.122 791 D CA 0.441 54.426 54.000 -0.025 0.000 0.850 791 D CB 0.387 41.161 40.800 -0.044 0.000 0.921 791 D HN 0.566 nan 8.370 nan 0.000 0.513 792 G N -0.465 108.319 108.800 -0.027 0.000 3.086 792 G HA2 0.329 4.322 3.960 0.056 0.000 0.282 792 G HA3 0.329 4.322 3.960 0.056 0.000 0.282 792 G C -0.700 174.200 174.900 0.000 0.000 1.343 792 G CA -0.570 44.529 45.100 -0.000 0.000 0.895 792 G HN -0.080 nan 8.290 nan 0.000 0.557 793 E N 0.302 120.531 120.200 0.049 0.000 2.537 793 E HA 0.042 4.425 4.350 0.056 0.000 0.269 793 E C -0.301 176.310 176.600 0.019 0.000 1.038 793 E CA 0.147 56.591 56.400 0.073 0.000 0.977 793 E CB 0.253 30.017 29.700 0.106 0.000 0.973 793 E HN 0.259 nan 8.360 nan 0.000 0.456 794 D N 1.734 122.142 120.400 0.012 0.000 2.487 794 D HA 0.019 4.692 4.640 0.056 0.000 0.243 794 D C -0.524 175.793 176.300 0.027 0.000 1.154 794 D CA 0.342 54.301 54.000 -0.068 0.000 0.876 794 D CB 0.242 40.958 40.800 -0.140 0.000 1.161 794 D HN 0.356 nan 8.370 nan 0.000 0.478 795 S N 2.189 117.890 115.700 0.001 0.000 2.475 795 S HA 0.292 4.796 4.470 0.056 0.000 0.281 795 S C 0.304 174.962 174.600 0.097 0.000 1.198 795 S CA -0.546 57.731 58.200 0.129 0.000 1.063 795 S CB 0.862 64.165 63.200 0.172 0.000 0.972 795 S HN 0.339 nan 8.310 nan 0.000 0.486 796 Y N 3.281 123.637 120.300 0.093 0.000 2.254 796 Y HA 0.349 4.932 4.550 0.056 0.000 0.274 796 Y C 2.417 178.365 175.900 0.079 0.000 1.093 796 Y CA 0.971 59.122 58.100 0.085 0.000 1.105 796 Y CB -0.724 37.776 38.460 0.067 0.000 1.041 796 Y HN 0.799 nan 8.280 nan 0.000 0.489 797 G N 0.149 109.104 108.800 0.258 0.000 3.452 797 G HA2 0.024 4.018 3.960 0.056 0.000 0.258 797 G HA3 0.024 4.018 3.960 0.056 0.000 0.258 797 G C 0.124 175.089 174.900 0.108 0.000 1.305 797 G CA -0.020 45.172 45.100 0.153 0.000 1.514 797 G HN 0.167 nan 8.290 nan 0.000 0.593 798 T N 1.297 115.916 114.554 0.107 0.000 2.849 798 T HA 0.278 4.662 4.350 0.056 0.000 0.289 798 T C 0.884 175.594 174.700 0.016 0.000 1.010 798 T CA 0.777 62.927 62.100 0.083 0.000 1.161 798 T CB 0.056 68.995 68.868 0.119 0.000 0.989 798 T HN 0.448 nan 8.240 nan 0.000 0.523 799 T N 3.390 117.955 114.554 0.017 0.000 2.888 799 T HA 0.662 5.046 4.350 0.056 0.000 0.284 799 T C -0.645 174.029 174.700 -0.044 0.000 1.017 799 T CA -1.074 61.014 62.100 -0.020 0.000 1.022 799 T CB 1.462 70.334 68.868 0.006 0.000 1.013 799 T HN 0.517 nan 8.240 nan 0.000 0.465 800 I N 3.048 123.562 120.570 -0.093 0.000 2.468 800 I HA 0.512 4.715 4.170 0.056 0.000 0.284 800 I C -0.212 175.750 176.117 -0.259 0.000 1.038 800 I CA -0.280 60.925 61.300 -0.159 0.000 1.083 800 I CB 1.650 39.579 38.000 -0.117 0.000 1.223 800 I HN 1.044 nan 8.210 nan 0.000 0.443 801 T N 3.913 118.303 114.554 -0.273 0.000 2.823 801 T HA 0.713 5.096 4.350 0.056 0.000 0.279 801 T C -0.497 174.022 174.700 -0.300 0.000 0.998 801 T CA -0.406 61.578 62.100 -0.192 0.000 0.994 801 T CB 0.810 69.650 68.868 -0.045 0.000 0.960 801 T HN 0.229 nan 8.240 nan 0.000 0.448 802 F N 1.568 121.583 119.950 0.108 0.000 2.470 802 F HA 0.630 5.191 4.527 0.056 0.000 0.329 802 F C 0.933 176.791 175.800 0.096 0.000 1.072 802 F CA -0.864 57.203 58.000 0.112 0.000 0.989 802 F CB 2.140 41.212 39.000 0.119 0.000 1.193 802 F HN 0.789 nan 8.300 nan 0.000 0.481 803 S N 1.105 116.970 115.700 0.276 0.000 2.449 803 S HA 0.729 5.232 4.470 0.056 0.000 0.310 803 S C -1.228 173.467 174.600 0.159 0.000 1.096 803 S CA -0.509 57.772 58.200 0.136 0.000 1.095 803 S CB 0.535 63.802 63.200 0.112 0.000 1.007 803 S HN 0.808 nan 8.310 nan 0.000 0.474 804 H N 0.347 119.499 119.070 0.137 0.000 3.016 804 H HA 0.763 5.352 4.556 0.056 0.000 0.362 804 H C -3.324 172.176 175.328 0.287 0.000 1.233 804 H CA -2.138 53.980 56.048 0.117 0.000 1.124 804 H CB 0.673 30.416 29.762 -0.032 0.000 1.850 804 H HN 0.395 nan 8.280 nan 0.000 0.549 805 P HA 0.034 nan 4.420 nan 0.000 0.272 805 P C 0.586 178.179 177.300 0.487 0.000 1.223 805 P CA 0.176 63.457 63.100 0.301 0.000 0.784 805 P CB 0.957 32.771 31.700 0.189 0.000 0.923 806 A N 3.007 125.959 122.820 0.219 0.000 2.084 806 A HA -0.124 4.229 4.320 0.056 0.000 0.221 806 A C 2.034 179.834 177.584 0.360 0.000 1.161 806 A CA 1.892 53.981 52.037 0.086 0.000 0.653 806 A CB -1.678 17.157 19.000 -0.275 0.000 0.802 806 A HN 0.683 nan 8.150 nan 0.000 0.457 807 G N -0.693 108.281 108.800 0.290 0.000 3.295 807 G HA2 0.399 4.392 3.960 0.056 0.000 0.231 807 G HA3 0.399 4.392 3.960 0.056 0.000 0.231 807 G C 0.021 175.062 174.900 0.235 0.000 1.277 807 G CA 0.722 45.956 45.100 0.224 0.000 1.013 807 G HN 0.991 nan 8.290 nan 0.000 0.509 808 L N -4.752 116.678 121.223 0.344 0.000 2.866 808 L HA 0.813 5.186 4.340 0.056 0.000 0.262 808 L C -0.742 176.243 176.870 0.192 0.000 0.986 808 L CA -0.988 53.983 54.840 0.218 0.000 0.925 808 L CB 1.142 43.259 42.059 0.097 0.000 1.484 808 L HN -0.162 nan 8.230 nan 0.000 0.414 809 S N -0.749 115.031 115.700 0.134 0.000 2.625 809 S HA 0.586 5.090 4.470 0.056 0.000 0.271 809 S C -1.749 172.789 174.600 -0.103 0.000 1.161 809 S CA -0.659 57.557 58.200 0.027 0.000 0.820 809 S CB 1.438 64.668 63.200 0.051 0.000 1.137 809 S HN 0.795 nan 8.310 nan 0.000 0.470 810 Y N 2.886 122.916 120.300 -0.450 0.000 2.309 810 Y HA 0.559 5.142 4.550 0.056 0.000 0.327 810 Y C 0.229 175.920 175.900 -0.348 0.000 1.172 810 Y CA -0.350 57.297 58.100 -0.755 0.000 1.280 810 Y CB 0.534 38.532 38.460 -0.770 0.000 1.234 810 Y HN 0.667 nan 8.280 nan 0.000 0.512 811 R N 5.297 125.130 120.500 -1.113 0.000 2.561 811 R HA 0.294 4.668 4.340 0.056 0.000 0.297 811 R C -1.867 173.758 176.300 -1.125 0.000 0.969 811 R CA -0.944 54.651 56.100 -0.841 0.000 0.879 811 R CB 0.860 30.919 30.300 -0.401 0.000 1.178 811 R HN 0.710 nan 8.270 nan 0.000 0.445 812 Y N 3.265 123.085 120.300 -0.801 0.000 2.811 812 Y HA -0.078 4.505 4.550 0.056 0.000 0.334 812 Y C 0.918 176.650 175.900 -0.280 0.000 1.247 812 Y CA 0.429 58.266 58.100 -0.438 0.000 1.526 812 Y CB 0.894 39.248 38.460 -0.176 0.000 1.284 812 Y HN 0.543 nan 8.280 nan 0.000 0.586 813 V N 5.180 124.695 119.914 -0.665 0.000 2.302 813 V HA -0.057 4.097 4.120 0.056 0.000 0.243 813 V C 1.348 177.205 176.094 -0.397 0.000 1.036 813 V CA 1.227 63.268 62.300 -0.432 0.000 1.020 813 V CB -1.461 30.180 31.823 -0.305 0.000 0.657 813 V HN 1.186 nan 8.190 nan 0.000 0.453 814 A N 0.470 122.866 122.820 -0.707 0.000 2.667 814 A HA -0.193 4.160 4.320 0.056 0.000 0.298 814 A C 0.256 177.804 177.584 -0.059 0.000 1.483 814 A CA 0.696 52.639 52.037 -0.157 0.000 0.738 814 A CB -1.675 17.476 19.000 0.250 0.000 1.067 814 A HN 0.530 nan 8.150 nan 0.000 0.451 815 E N -1.480 118.663 120.200 -0.095 0.000 2.227 815 E HA 0.656 5.040 4.350 0.056 0.000 0.268 815 E C 1.148 177.742 176.600 -0.009 0.000 0.990 815 E CA 0.325 56.698 56.400 -0.044 0.000 0.856 815 E CB 1.727 31.393 29.700 -0.057 0.000 1.159 815 E HN 0.907 nan 8.360 nan 0.000 0.401 816 G N 0.490 109.290 108.800 0.000 0.000 2.937 816 G HA2 -0.054 3.939 3.960 0.056 0.000 0.162 816 G HA3 -0.054 3.939 3.960 0.056 0.000 0.162 816 G C 0.432 175.337 174.900 0.009 0.000 1.352 816 G CA -0.051 45.057 45.100 0.013 0.000 0.843 816 G HN 0.378 nan 8.290 nan 0.000 0.965 817 Q N 0.768 120.571 119.800 0.004 0.000 2.227 817 Q HA 0.274 4.647 4.340 0.056 0.000 0.332 817 Q C -0.612 175.389 176.000 0.002 0.000 0.878 817 Q CA -0.149 55.657 55.803 0.004 0.000 1.120 817 Q CB 0.448 29.188 28.738 0.004 0.000 1.315 817 Q HN 0.558 nan 8.270 nan 0.000 0.414 818 K N -0.222 120.179 120.400 0.001 0.000 2.499 818 K HA 0.616 4.969 4.320 0.056 0.000 0.277 818 K C -1.228 175.373 176.600 0.001 0.000 1.025 818 K CA -0.988 55.301 56.287 0.003 0.000 0.900 818 K CB 1.756 34.259 32.500 0.005 0.000 1.494 818 K HN 0.084 nan 8.250 nan 0.000 0.442 819 Q N -0.766 119.035 119.800 0.001 0.000 2.805 819 Q HA 0.445 4.819 4.340 0.056 0.000 0.257 819 Q C -1.281 174.720 176.000 0.002 0.000 0.977 819 Q CA -0.902 54.901 55.803 -0.000 0.000 0.901 819 Q CB 1.045 29.780 28.738 -0.005 0.000 1.778 819 Q HN 0.825 nan 8.270 nan 0.000 0.441 820 G N 0.779 109.580 108.800 0.002 0.000 2.830 820 G HA2 0.169 4.163 3.960 0.056 0.000 0.177 820 G HA3 0.169 4.163 3.960 0.056 0.000 0.177 820 G C -0.644 174.257 174.900 0.002 0.000 1.649 820 G CA -0.194 44.906 45.100 -0.000 0.000 0.867 820 G HN 0.428 nan 8.290 nan 0.000 0.780 821 Q N 0.347 120.147 119.800 -0.000 0.000 2.354 821 Q HA 0.589 4.962 4.340 0.056 0.000 0.372 821 Q C -0.768 175.232 176.000 0.001 0.000 0.923 821 Q CA -0.160 55.644 55.803 0.002 0.000 1.123 821 Q CB 1.317 30.055 28.738 0.000 0.000 1.298 821 Q HN 0.273 nan 8.270 nan 0.000 0.419 822 L N -0.834 120.390 121.223 0.003 0.000 2.223 822 L HA 0.520 4.893 4.340 0.056 0.000 0.243 822 L C -0.829 176.048 176.870 0.013 0.000 1.105 822 L CA -1.245 53.597 54.840 0.002 0.000 0.943 822 L CB 1.329 43.385 42.059 -0.004 0.000 1.542 822 L HN 0.176 nan 8.230 nan 0.000 0.437 823 R N 0.189 120.702 120.500 0.022 0.000 2.538 823 R HA 0.071 4.444 4.340 0.056 0.000 0.273 823 R C -0.560 175.755 176.300 0.025 0.000 0.967 823 R CA 1.537 57.662 56.100 0.041 0.000 1.101 823 R CB 0.124 30.457 30.300 0.056 0.000 0.908 823 R HN 0.625 nan 8.270 nan 0.000 0.411 824 S N 3.714 119.431 115.700 0.027 0.000 2.993 824 S HA 0.157 4.660 4.470 0.056 0.000 0.257 824 S C -1.133 173.495 174.600 0.047 0.000 0.997 824 S CA -0.577 57.643 58.200 0.032 0.000 1.191 824 S CB 0.485 63.700 63.200 0.025 0.000 1.143 824 S HN 0.518 nan 8.310 nan 0.000 0.655 825 L N 3.297 124.541 121.223 0.036 0.000 2.318 825 L HA 0.465 4.839 4.340 0.056 0.000 0.277 825 L C -0.460 176.439 176.870 0.049 0.000 1.008 825 L CA -0.355 54.482 54.840 -0.005 0.000 0.846 825 L CB 0.552 42.556 42.059 -0.092 0.000 1.220 825 L HN 0.228 nan 8.230 nan 0.000 0.423 826 H N 6.200 125.266 119.070 -0.006 0.000 2.955 826 H HA 0.457 5.046 4.556 0.056 0.000 0.290 826 H C -1.295 173.987 175.328 -0.076 0.000 1.047 826 H CA -0.003 56.083 56.048 0.062 0.000 1.484 826 H CB 0.674 30.554 29.762 0.197 0.000 1.501 826 H HN 0.640 nan 8.280 nan 0.000 0.521 827 L N 2.624 123.669 121.223 -0.297 0.000 2.434 827 L HA 0.465 4.839 4.340 0.056 0.000 0.260 827 L C -0.576 176.152 176.870 -0.236 0.000 0.983 827 L CA -0.877 53.812 54.840 -0.252 0.000 0.820 827 L CB 1.914 43.795 42.059 -0.297 0.000 1.361 827 L HN 0.272 nan 8.230 nan 0.000 0.410 828 T N 1.158 115.625 114.554 -0.145 0.000 2.767 828 T HA 0.627 5.011 4.350 0.056 0.000 0.284 828 T C -0.687 173.985 174.700 -0.047 0.000 0.973 828 T CA -0.172 61.883 62.100 -0.075 0.000 0.996 828 T CB 0.600 69.465 68.868 -0.005 0.000 0.927 828 T HN 0.749 nan 8.240 nan 0.000 0.456 829 c N 3.180 121.776 118.600 -0.006 0.000 2.455 829 c HA 0.682 5.286 4.570 0.056 0.000 0.320 829 c C -0.585 173.538 174.090 0.055 0.000 1.226 829 c CA -1.058 55.270 56.329 -0.003 0.000 1.569 829 c CB 1.145 43.617 42.510 -0.064 0.000 2.200 829 c HN 0.771 nan 8.230 nan 0.000 0.491 830 D N 1.682 122.114 120.400 0.054 0.000 2.542 830 D HA 0.366 5.040 4.640 0.056 0.000 0.252 830 D C -0.154 176.181 176.300 0.058 0.000 1.222 830 D CA 0.105 54.150 54.000 0.075 0.000 0.895 830 D CB 1.815 42.672 40.800 0.095 0.000 1.207 830 D HN 0.679 nan 8.370 nan 0.000 0.558 831 S N 0.825 116.547 115.700 0.037 0.000 2.603 831 S HA 0.846 5.349 4.470 0.056 0.000 0.268 831 S C 0.014 174.614 174.600 0.001 0.000 1.317 831 S CA -0.564 57.603 58.200 -0.056 0.000 1.012 831 S CB 1.676 64.778 63.200 -0.162 0.000 0.926 831 S HN 0.627 nan 8.310 nan 0.000 0.539 832 A N 1.184 123.983 122.820 -0.035 0.000 2.585 832 A HA 0.645 4.998 4.320 0.056 0.000 0.299 832 A C -3.333 174.482 177.584 0.386 0.000 1.047 832 A CA -1.294 50.858 52.037 0.192 0.000 0.723 832 A CB 0.663 19.748 19.000 0.141 0.000 1.275 832 A HN 0.640 nan 8.150 nan 0.000 0.408 833 P HA 0.463 nan 4.420 nan 0.000 0.280 833 P C 0.028 177.499 177.300 0.285 0.000 1.244 833 P CA 0.028 63.439 63.100 0.518 0.000 0.784 833 P CB 1.572 33.462 31.700 0.316 0.000 0.913 834 V N 2.893 122.957 119.914 0.250 0.000 3.927 834 V HA 0.280 4.433 4.120 0.056 0.000 0.190 834 V C 1.496 177.649 176.094 0.098 0.000 1.201 834 V CA 1.012 63.401 62.300 0.147 0.000 1.324 834 V CB -0.962 30.939 31.823 0.131 0.000 1.545 834 V HN 0.675 nan 8.190 nan 0.000 0.534 835 G N -0.231 108.626 108.800 0.094 0.000 2.771 835 G HA2 0.131 4.124 3.960 0.056 0.000 0.242 835 G HA3 0.131 4.124 3.960 0.056 0.000 0.242 835 G C 1.272 176.194 174.900 0.036 0.000 1.233 835 G CA 0.732 45.867 45.100 0.057 0.000 0.858 835 G HN 0.310 nan 8.290 nan 0.000 0.591 836 S N -0.764 114.950 115.700 0.024 0.000 2.368 836 S HA -0.159 4.344 4.470 0.056 0.000 0.226 836 S C 1.113 175.717 174.600 0.006 0.000 1.044 836 S CA 2.184 60.392 58.200 0.013 0.000 1.062 836 S CB -0.222 62.983 63.200 0.009 0.000 0.931 836 S HN 0.667 nan 8.310 nan 0.000 0.440 837 Q N -1.596 118.206 119.800 0.002 0.000 2.759 837 Q HA 0.452 4.825 4.340 0.056 0.000 0.225 837 Q C -0.224 175.763 176.000 -0.021 0.000 0.823 837 Q CA 0.266 56.060 55.803 -0.014 0.000 0.828 837 Q CB 0.764 29.495 28.738 -0.010 0.000 1.425 837 Q HN 0.545 nan 8.270 nan 0.000 0.449 838 G N 1.636 110.406 108.800 -0.051 0.000 3.638 838 G HA2 -0.206 3.788 3.960 0.056 0.000 0.196 838 G HA3 -0.206 3.788 3.960 0.056 0.000 0.196 838 G C 0.117 174.971 174.900 -0.076 0.000 1.315 838 G CA 0.100 45.161 45.100 -0.064 0.000 0.944 838 G HN 0.686 nan 8.290 nan 0.000 0.434 839 T N -0.685 113.876 114.554 0.011 0.000 2.862 839 T HA 0.685 5.068 4.350 0.056 0.000 0.276 839 T C -0.225 174.610 174.700 0.225 0.000 0.974 839 T CA 0.406 62.576 62.100 0.116 0.000 0.966 839 T CB 2.035 70.967 68.868 0.107 0.000 1.072 839 T HN 1.857 nan 8.240 nan 0.000 0.538 840 W N -1.176 120.022 121.300 -0.169 0.000 3.189 840 W HA 0.615 5.309 4.660 0.056 0.000 0.314 840 W C -1.700 174.633 176.519 -0.310 0.000 1.204 840 W CA -1.333 55.914 57.345 -0.163 0.000 1.171 840 W CB 0.492 29.909 29.460 -0.071 0.000 1.394 840 W HN 0.861 nan 8.180 nan 0.000 0.568 841 S N 1.099 116.747 115.700 -0.087 0.000 2.475 841 S HA 0.759 5.263 4.470 0.056 0.000 0.298 841 S C -0.431 174.127 174.600 -0.069 0.000 1.119 841 S CA 0.029 58.175 58.200 -0.090 0.000 1.085 841 S CB 0.778 63.995 63.200 0.029 0.000 1.028 841 S HN 0.763 nan 8.310 nan 0.000 0.489 842 T N 1.852 116.476 114.554 0.116 0.000 2.963 842 T HA 0.521 4.904 4.350 0.056 0.000 0.343 842 T C 0.144 174.955 174.700 0.186 0.000 1.146 842 T CA -0.763 61.437 62.100 0.167 0.000 1.016 842 T CB 0.294 69.340 68.868 0.298 0.000 1.046 842 T HN 0.622 nan 8.240 nan 0.000 0.496 843 S N 1.528 117.281 115.700 0.088 0.000 2.603 843 S HA 0.563 5.066 4.470 0.056 0.000 0.268 843 S C -0.049 174.559 174.600 0.012 0.000 1.317 843 S CA -0.790 57.437 58.200 0.045 0.000 1.012 843 S CB 0.535 63.755 63.200 0.032 0.000 0.926 843 S HN 0.860 nan 8.310 nan 0.000 0.539 844 c N 2.723 121.303 118.600 -0.035 0.000 3.171 844 c HA 0.427 5.030 4.570 0.056 0.000 0.336 844 c C 0.053 174.070 174.090 -0.122 0.000 1.035 844 c CA -0.879 55.393 56.329 -0.095 0.000 1.361 844 c CB -0.232 42.188 42.510 -0.150 0.000 1.804 844 c HN 1.045 nan 8.230 nan 0.000 0.535 845 R N 2.302 122.752 120.500 -0.083 0.000 2.234 845 R HA 0.561 4.934 4.340 0.056 0.000 0.324 845 R C -0.410 175.816 176.300 -0.122 0.000 1.054 845 R CA -0.345 55.710 56.100 -0.076 0.000 0.912 845 R CB 0.653 30.947 30.300 -0.009 0.000 1.030 845 R HN 0.690 nan 8.270 nan 0.000 0.455 846 I N 4.459 124.923 120.570 -0.176 0.000 2.849 846 I HA -0.183 4.021 4.170 0.056 0.000 0.288 846 I C 1.245 177.287 176.117 -0.126 0.000 1.156 846 I CA 0.118 61.286 61.300 -0.220 0.000 1.394 846 I CB -0.383 37.455 38.000 -0.271 0.000 1.462 846 I HN 0.788 nan 8.210 nan 0.000 0.587 847 N N 5.148 123.792 118.700 -0.093 0.000 2.002 847 N HA -0.242 4.531 4.740 0.056 0.000 0.199 847 N C 0.915 176.460 175.510 0.057 0.000 1.067 847 N CA 1.903 54.974 53.050 0.034 0.000 0.870 847 N CB -0.099 38.510 38.487 0.203 0.000 1.073 847 N HN 0.723 nan 8.380 nan 0.000 0.432 848 H N -0.955 118.160 119.070 0.075 0.000 2.328 848 H HA 0.592 5.181 4.556 0.056 0.000 0.230 848 H C -0.836 174.514 175.328 0.037 0.000 1.481 848 H CA -0.902 55.176 56.048 0.051 0.000 1.306 848 H CB -0.344 29.434 29.762 0.026 0.000 1.531 848 H HN 0.203 nan 8.280 nan 0.000 0.533 849 L N -2.225 119.011 121.223 0.022 0.000 3.167 849 L HA 0.394 4.768 4.340 0.056 0.000 0.273 849 L C -1.602 175.273 176.870 0.008 0.000 0.969 849 L CA -1.183 53.681 54.840 0.039 0.000 1.033 849 L CB 0.590 42.666 42.059 0.028 0.000 1.544 849 L HN 0.154 nan 8.230 nan 0.000 0.393 850 I N 1.001 121.565 120.570 -0.011 0.000 2.577 850 I HA 0.437 4.640 4.170 0.056 0.000 0.300 850 I C -0.925 175.209 176.117 0.028 0.000 0.990 850 I CA -0.185 61.061 61.300 -0.091 0.000 1.283 850 I CB 1.516 39.353 38.000 -0.271 0.000 1.411 850 I HN 0.617 nan 8.210 nan 0.000 0.515 851 F N 5.240 125.078 119.950 -0.188 0.000 2.359 851 F HA 0.472 5.033 4.527 0.056 0.000 0.369 851 F C 0.048 175.772 175.800 -0.127 0.000 1.084 851 F CA -0.720 57.210 58.000 -0.117 0.000 1.096 851 F CB 0.337 39.293 39.000 -0.073 0.000 1.335 851 F HN 0.430 nan 8.300 nan 0.000 0.457 852 R N 3.225 123.623 120.500 -0.170 0.000 2.720 852 R HA 0.638 5.011 4.340 0.056 0.000 0.272 852 R C 0.535 176.666 176.300 -0.281 0.000 0.991 852 R CA -0.122 55.838 56.100 -0.234 0.000 1.010 852 R CB 1.482 31.700 30.300 -0.137 0.000 1.141 852 R HN 0.845 nan 8.270 nan 0.000 0.494 853 G N 0.443 109.118 108.800 -0.209 0.000 2.606 853 G HA2 -0.336 3.658 3.960 0.056 0.000 0.285 853 G HA3 -0.336 3.658 3.960 0.056 0.000 0.285 853 G C 0.627 175.408 174.900 -0.199 0.000 1.311 853 G CA -0.070 44.936 45.100 -0.157 0.000 0.922 853 G HN 0.798 nan 8.290 nan 0.000 0.559 854 G N 0.073 108.808 108.800 -0.107 0.000 3.234 854 G HA2 0.570 4.564 3.960 0.056 0.000 0.221 854 G HA3 0.570 4.564 3.960 0.056 0.000 0.221 854 G C 0.787 175.674 174.900 -0.022 0.000 1.229 854 G CA 1.307 46.369 45.100 -0.062 0.000 0.909 854 G HN 1.788 nan 8.290 nan 0.000 0.510 855 A N 0.450 123.223 122.820 -0.078 0.000 2.440 855 A HA 0.538 4.891 4.320 0.056 0.000 0.251 855 A C 0.503 178.202 177.584 0.191 0.000 1.089 855 A CA -0.353 51.709 52.037 0.043 0.000 0.779 855 A CB 0.283 19.318 19.000 0.058 0.000 1.022 855 A HN 0.587 nan 8.150 nan 0.000 0.492 856 Q N 1.330 121.276 119.800 0.243 0.000 2.248 856 Q HA 0.807 5.180 4.340 0.056 0.000 0.263 856 Q C -0.660 175.451 176.000 0.186 0.000 1.007 856 Q CA -0.751 55.208 55.803 0.261 0.000 0.877 856 Q CB 1.619 30.422 28.738 0.109 0.000 1.315 856 Q HN 0.846 nan 8.270 nan 0.000 0.454 857 I N -2.045 118.550 120.570 0.042 0.000 2.913 857 I HA 0.671 4.874 4.170 0.056 0.000 0.302 857 I C -1.233 174.831 176.117 -0.089 0.000 1.246 857 I CA -0.863 60.408 61.300 -0.048 0.000 1.010 857 I CB 2.787 40.693 38.000 -0.157 0.000 1.259 857 I HN 0.788 nan 8.210 nan 0.000 0.434 858 T N 1.769 116.296 114.554 -0.045 0.000 2.879 858 T HA 0.762 5.146 4.350 0.056 0.000 0.290 858 T C -0.743 173.974 174.700 0.029 0.000 0.993 858 T CA -0.525 61.529 62.100 -0.078 0.000 0.975 858 T CB 1.308 70.107 68.868 -0.116 0.000 0.981 858 T HN 0.712 nan 8.240 nan 0.000 0.439 859 F N 1.231 121.116 119.950 -0.108 0.000 2.654 859 F HA 0.876 5.437 4.527 0.056 0.000 0.334 859 F C -1.603 174.161 175.800 -0.060 0.000 1.078 859 F CA -2.101 55.848 58.000 -0.084 0.000 0.986 859 F CB 1.451 40.394 39.000 -0.095 0.000 1.362 859 F HN 0.657 nan 8.300 nan 0.000 0.498 860 L N 1.919 123.189 121.223 0.079 0.000 2.349 860 L HA 0.852 5.226 4.340 0.056 0.000 0.278 860 L C -1.206 175.735 176.870 0.119 0.000 0.996 860 L CA -0.769 54.059 54.840 -0.020 0.000 0.825 860 L CB 1.417 43.466 42.059 -0.016 0.000 1.243 860 L HN 1.032 nan 8.230 nan 0.000 0.412 861 A N 3.262 126.122 122.820 0.066 0.000 2.319 861 A HA 0.716 5.070 4.320 0.056 0.000 0.310 861 A C -0.545 177.124 177.584 0.141 0.000 1.152 861 A CA -0.393 51.764 52.037 0.198 0.000 0.783 861 A CB 1.316 20.371 19.000 0.092 0.000 1.184 861 A HN 0.594 nan 8.150 nan 0.000 0.474 862 T N 2.470 117.082 114.554 0.097 0.000 2.794 862 T HA 0.588 4.972 4.350 0.056 0.000 0.280 862 T C -1.009 173.585 174.700 -0.176 0.000 0.987 862 T CA 0.221 62.319 62.100 -0.003 0.000 0.993 862 T CB 0.137 68.956 68.868 -0.081 0.000 0.939 862 T HN 0.332 nan 8.240 nan 0.000 0.449 863 F N 2.295 122.205 119.950 -0.066 0.000 2.402 863 F HA 0.327 4.887 4.527 0.056 0.000 0.355 863 F C 0.600 176.340 175.800 -0.099 0.000 1.123 863 F CA -1.273 56.664 58.000 -0.105 0.000 1.021 863 F CB 0.992 39.892 39.000 -0.168 0.000 1.160 863 F HN 0.389 nan 8.300 nan 0.000 0.451 864 D N 2.221 122.636 120.400 0.025 0.000 2.424 864 D HA 0.188 4.862 4.640 0.056 0.000 0.244 864 D C -0.548 175.789 176.300 0.061 0.000 1.134 864 D CA 0.339 54.351 54.000 0.020 0.000 0.881 864 D CB 1.923 42.716 40.800 -0.011 0.000 1.191 864 D HN 0.254 nan 8.370 nan 0.000 0.445 865 V N 2.062 122.003 119.914 0.044 0.000 2.495 865 V HA 0.299 4.452 4.120 0.056 0.000 0.298 865 V C -0.134 175.995 176.094 0.058 0.000 1.031 865 V CA -0.647 61.684 62.300 0.053 0.000 0.871 865 V CB 1.826 33.659 31.823 0.016 0.000 0.988 865 V HN 0.682 nan 8.190 nan 0.000 0.432 866 S N 6.677 122.427 115.700 0.083 0.000 2.549 866 S HA 0.347 4.850 4.470 0.056 0.000 0.279 866 S C -1.765 172.885 174.600 0.085 0.000 1.321 866 S CA -0.689 57.562 58.200 0.084 0.000 1.054 866 S CB 1.149 64.409 63.200 0.100 0.000 0.899 866 S HN 0.670 nan 8.310 nan 0.000 0.497 867 P HA -0.030 nan 4.420 nan 0.000 0.221 867 P C 0.311 177.684 177.300 0.121 0.000 1.145 867 P CA 1.141 64.294 63.100 0.089 0.000 0.795 867 P CB 0.083 31.827 31.700 0.074 0.000 0.775 868 K N -0.026 120.442 120.400 0.114 0.000 2.847 868 K HA 0.450 4.803 4.320 0.056 0.000 0.213 868 K C -0.646 176.032 176.600 0.130 0.000 1.174 868 K CA -0.579 55.781 56.287 0.121 0.000 1.095 868 K CB -0.253 32.300 32.500 0.089 0.000 1.581 868 K HN -0.136 nan 8.250 nan 0.000 0.514 869 A N 2.199 125.122 122.820 0.172 0.000 2.437 869 A HA 0.240 4.594 4.320 0.056 0.000 0.303 869 A C -0.127 177.580 177.584 0.204 0.000 1.324 869 A CA -0.513 51.624 52.037 0.168 0.000 0.983 869 A CB 0.275 19.361 19.000 0.144 0.000 1.142 869 A HN 0.301 nan 8.150 nan 0.000 0.541 870 V N 4.719 124.713 119.914 0.133 0.000 2.421 870 V HA 0.362 4.515 4.120 0.056 0.000 0.271 870 V C -0.094 176.071 176.094 0.117 0.000 1.031 870 V CA 0.452 62.814 62.300 0.103 0.000 1.032 870 V CB -0.700 31.155 31.823 0.052 0.000 1.009 870 V HN 0.837 nan 8.190 nan 0.000 0.477 871 L N 3.563 124.877 121.223 0.152 0.000 2.672 871 L HA 0.869 5.243 4.340 0.056 0.000 0.256 871 L C 0.178 177.140 176.870 0.153 0.000 0.946 871 L CA -0.436 54.487 54.840 0.138 0.000 0.889 871 L CB 0.798 42.938 42.059 0.135 0.000 1.441 871 L HN 0.522 nan 8.230 nan 0.000 0.418 872 G N 0.299 109.159 108.800 0.100 0.000 2.785 872 G HA2 0.194 4.187 3.960 0.056 0.000 0.256 872 G HA3 0.194 4.187 3.960 0.056 0.000 0.256 872 G C 0.417 175.385 174.900 0.114 0.000 1.248 872 G CA 0.462 45.612 45.100 0.084 0.000 0.914 872 G HN 1.087 nan 8.290 nan 0.000 0.580 873 D N -1.415 119.034 120.400 0.081 0.000 2.392 873 D HA -0.049 4.624 4.640 0.056 0.000 0.228 873 D C 0.877 177.200 176.300 0.037 0.000 1.003 873 D CA 0.710 54.756 54.000 0.077 0.000 0.917 873 D CB 0.097 40.919 40.800 0.037 0.000 0.890 873 D HN 0.392 nan 8.370 nan 0.000 0.532 874 R N -0.312 120.208 120.500 0.034 0.000 2.698 874 R HA 0.582 4.956 4.340 0.056 0.000 0.275 874 R C -1.220 175.094 176.300 0.024 0.000 1.001 874 R CA -1.089 55.020 56.100 0.015 0.000 0.896 874 R CB 1.997 32.306 30.300 0.015 0.000 1.218 874 R HN 0.054 nan 8.270 nan 0.000 0.462 875 L N 0.686 121.916 121.223 0.012 0.000 2.376 875 L HA 0.631 5.004 4.340 0.056 0.000 0.275 875 L C -0.943 175.952 176.870 0.041 0.000 0.987 875 L CA -0.917 53.940 54.840 0.028 0.000 0.828 875 L CB 1.459 43.524 42.059 0.009 0.000 1.249 875 L HN 0.526 nan 8.230 nan 0.000 0.409 876 L N 2.905 124.164 121.223 0.061 0.000 2.332 876 L HA 1.013 5.387 4.340 0.056 0.000 0.269 876 L C -0.778 176.160 176.870 0.113 0.000 1.016 876 L CA -0.892 53.997 54.840 0.081 0.000 0.809 876 L CB 1.686 43.780 42.059 0.059 0.000 1.280 876 L HN 0.816 nan 8.230 nan 0.000 0.447 877 L N -1.676 119.643 121.223 0.161 0.000 2.556 877 L HA 0.951 5.324 4.340 0.056 0.000 0.257 877 L C -0.309 176.747 176.870 0.311 0.000 0.955 877 L CA -0.144 54.816 54.840 0.201 0.000 0.850 877 L CB 1.502 43.644 42.059 0.138 0.000 1.398 877 L HN 0.997 nan 8.230 nan 0.000 0.412 878 T N -1.175 113.566 114.554 0.311 0.000 2.883 878 T HA 0.971 5.355 4.350 0.056 0.000 0.284 878 T C -0.406 174.558 174.700 0.440 0.000 1.041 878 T CA -0.352 61.954 62.100 0.344 0.000 1.007 878 T CB 1.895 70.873 68.868 0.183 0.000 1.220 878 T HN 1.716 nan 8.240 nan 0.000 0.552 879 A N 1.922 124.965 122.820 0.370 0.000 2.679 879 A HA 0.590 4.944 4.320 0.056 0.000 0.288 879 A C -0.741 176.889 177.584 0.076 0.000 1.160 879 A CA -0.886 51.241 52.037 0.151 0.000 0.763 879 A CB 0.097 19.320 19.000 0.372 0.000 1.270 879 A HN 0.678 nan 8.150 nan 0.000 0.417 880 N N 0.651 119.350 118.700 -0.003 0.000 2.470 880 N HA 0.367 5.141 4.740 0.056 0.000 0.268 880 N C -0.643 174.857 175.510 -0.017 0.000 1.136 880 N CA 0.107 53.166 53.050 0.016 0.000 0.961 880 N CB 1.821 40.317 38.487 0.016 0.000 1.067 880 N HN 0.454 nan 8.380 nan 0.000 0.468 881 V N 1.467 121.400 119.914 0.033 0.000 2.588 881 V HA 0.806 4.960 4.120 0.056 0.000 0.304 881 V C -0.621 175.513 176.094 0.067 0.000 1.042 881 V CA -0.236 62.088 62.300 0.039 0.000 0.877 881 V CB 1.409 33.273 31.823 0.069 0.000 0.996 881 V HN 0.926 nan 8.190 nan 0.000 0.425 882 S N 3.714 119.453 115.700 0.066 0.000 2.672 882 S HA 0.706 5.209 4.470 0.056 0.000 0.271 882 S C -0.447 174.209 174.600 0.093 0.000 1.171 882 S CA -0.123 58.125 58.200 0.079 0.000 0.817 882 S CB 1.519 64.757 63.200 0.064 0.000 1.150 882 S HN 1.647 nan 8.310 nan 0.000 0.478 883 S N -0.430 115.330 115.700 0.100 0.000 2.693 883 S HA 0.433 4.937 4.470 0.056 0.000 0.276 883 S C 0.915 175.581 174.600 0.111 0.000 1.192 883 S CA -0.098 58.174 58.200 0.120 0.000 0.994 883 S CB 0.932 64.208 63.200 0.127 0.000 1.012 883 S HN 0.961 nan 8.310 nan 0.000 0.550 884 E N 0.764 121.045 120.200 0.134 0.000 2.209 884 E HA -0.224 4.159 4.350 0.056 0.000 0.196 884 E C 0.286 176.951 176.600 0.108 0.000 0.993 884 E CA 1.157 57.633 56.400 0.126 0.000 0.819 884 E CB -0.309 29.485 29.700 0.156 0.000 0.745 884 E HN 0.622 nan 8.360 nan 0.000 0.477 885 N N 1.972 120.734 118.700 0.104 0.000 2.466 885 N HA -0.004 4.769 4.740 0.056 0.000 0.211 885 N C -0.567 174.981 175.510 0.063 0.000 1.256 885 N CA 0.169 53.266 53.050 0.077 0.000 0.840 885 N CB -0.375 38.154 38.487 0.069 0.000 1.079 885 N HN 0.197 nan 8.380 nan 0.000 0.466 886 N N -0.657 118.084 118.700 0.068 0.000 5.925 886 N HA -0.185 4.588 4.740 0.056 0.000 0.361 886 N C -0.367 175.174 175.510 0.052 0.000 0.922 886 N CA 1.321 54.406 53.050 0.059 0.000 1.177 886 N CB -0.902 37.616 38.487 0.052 0.000 0.806 886 N HN 0.339 nan 8.380 nan 0.000 0.456 887 T N -2.252 112.328 114.554 0.044 0.000 3.149 887 T HA 0.572 4.955 4.350 0.056 0.000 0.373 887 T C -1.905 172.813 174.700 0.029 0.000 1.364 887 T CA -1.294 60.829 62.100 0.039 0.000 1.110 887 T CB 1.358 70.250 68.868 0.039 0.000 1.127 887 T HN 0.210 nan 8.240 nan 0.000 0.576 888 P HA 0.090 nan 4.420 nan 0.000 0.228 888 P C 0.659 177.966 177.300 0.011 0.000 1.151 888 P CA 0.576 63.685 63.100 0.016 0.000 0.770 888 P CB 0.377 32.083 31.700 0.010 0.000 0.786 889 R N -2.717 117.791 120.500 0.014 0.000 3.315 889 R HA 0.422 4.795 4.340 0.056 0.000 0.239 889 R C 1.078 177.386 176.300 0.013 0.000 1.532 889 R CA -0.508 55.597 56.100 0.010 0.000 1.033 889 R CB -0.233 30.070 30.300 0.005 0.000 1.586 889 R HN -0.340 nan 8.270 nan 0.000 0.512 890 T N 0.268 114.829 114.554 0.011 0.000 2.837 890 T HA -0.027 4.356 4.350 0.056 0.000 0.242 890 T C 0.747 175.456 174.700 0.015 0.000 1.044 890 T CA 0.777 62.883 62.100 0.010 0.000 1.202 890 T CB -0.169 68.702 68.868 0.006 0.000 0.905 890 T HN 0.332 nan 8.240 nan 0.000 0.413 891 S N 2.598 118.307 115.700 0.015 0.000 2.430 891 S HA 0.270 4.774 4.470 0.056 0.000 0.289 891 S C -0.216 174.402 174.600 0.029 0.000 1.143 891 S CA -0.829 57.383 58.200 0.020 0.000 1.067 891 S CB -0.017 63.193 63.200 0.016 0.000 0.964 891 S HN 0.060 nan 8.310 nan 0.000 0.485 892 K N 2.887 123.307 120.400 0.034 0.000 2.380 892 K HA 0.068 4.422 4.320 0.056 0.000 0.267 892 K C 0.594 177.228 176.600 0.057 0.000 0.990 892 K CA 0.040 56.354 56.287 0.045 0.000 0.946 892 K CB 0.421 32.948 32.500 0.045 0.000 0.937 892 K HN 0.594 nan 8.250 nan 0.000 0.491 893 T N 1.490 116.088 114.554 0.073 0.000 3.383 893 T HA 0.117 4.501 4.350 0.056 0.000 0.324 893 T C -0.383 174.394 174.700 0.127 0.000 1.822 893 T CA -0.592 61.567 62.100 0.099 0.000 1.424 893 T CB -0.635 68.299 68.868 0.109 0.000 1.093 893 T HN 0.585 nan 8.240 nan 0.000 0.748 894 T N 0.985 115.610 114.554 0.118 0.000 2.882 894 T HA 0.636 5.019 4.350 0.056 0.000 0.287 894 T C -0.605 174.212 174.700 0.194 0.000 0.992 894 T CA -0.812 61.372 62.100 0.140 0.000 1.076 894 T CB 1.021 69.946 68.868 0.095 0.000 0.961 894 T HN 0.355 nan 8.240 nan 0.000 0.490 895 F N 3.490 123.480 119.950 0.067 0.000 2.507 895 F HA 0.489 5.049 4.527 0.056 0.000 0.328 895 F C -0.382 175.425 175.800 0.012 0.000 1.136 895 F CA -0.708 57.289 58.000 -0.004 0.000 0.930 895 F CB 1.696 40.644 39.000 -0.087 0.000 1.166 895 F HN 0.916 nan 8.300 nan 0.000 0.436 896 Q N 5.987 125.342 119.800 -0.741 0.000 2.458 896 Q HA 0.835 5.208 4.340 0.056 0.000 0.282 896 Q C -2.034 173.565 176.000 -0.668 0.000 1.106 896 Q CA -1.223 54.315 55.803 -0.442 0.000 0.814 896 Q CB 3.109 31.761 28.738 -0.143 0.000 1.425 896 Q HN 0.778 nan 8.270 nan 0.000 0.437 897 L N -2.653 118.430 121.223 -0.234 0.000 2.518 897 L HA 0.696 5.069 4.340 0.056 0.000 0.257 897 L C -1.280 175.614 176.870 0.039 0.000 0.980 897 L CA -0.808 53.956 54.840 -0.126 0.000 0.837 897 L CB 2.339 44.353 42.059 -0.075 0.000 1.410 897 L HN 0.852 nan 8.230 nan 0.000 0.410 898 E N 1.319 121.536 120.200 0.028 0.000 2.222 898 E HA 0.774 5.157 4.350 0.056 0.000 0.267 898 E C -1.737 174.889 176.600 0.044 0.000 0.884 898 E CA -0.714 55.710 56.400 0.041 0.000 0.764 898 E CB 1.954 31.664 29.700 0.016 0.000 1.169 898 E HN 0.735 nan 8.360 nan 0.000 0.413 899 L N 4.910 126.153 121.223 0.033 0.000 2.362 899 L HA 0.510 4.884 4.340 0.056 0.000 0.271 899 L C -2.347 174.512 176.870 -0.017 0.000 1.002 899 L CA -2.406 52.439 54.840 0.008 0.000 0.818 899 L CB 2.092 44.138 42.059 -0.021 0.000 1.298 899 L HN 0.433 nan 8.230 nan 0.000 0.420 900 P HA 0.072 nan 4.420 nan 0.000 0.271 900 P C -0.960 176.297 177.300 -0.071 0.000 1.220 900 P CA 0.006 63.086 63.100 -0.033 0.000 0.768 900 P CB 1.118 32.804 31.700 -0.023 0.000 0.848 901 V N 4.700 124.560 119.914 -0.090 0.000 2.555 901 V HA 0.390 4.544 4.120 0.056 0.000 0.302 901 V C -0.104 175.848 176.094 -0.235 0.000 1.038 901 V CA -0.475 61.710 62.300 -0.193 0.000 0.887 901 V CB 1.383 33.070 31.823 -0.226 0.000 0.991 901 V HN 0.452 nan 8.190 nan 0.000 0.434 902 K N 4.540 124.746 120.400 -0.323 0.000 2.296 902 K HA 0.686 5.040 4.320 0.056 0.000 0.243 902 K C -1.872 174.412 176.600 -0.528 0.000 1.082 902 K CA -0.760 55.386 56.287 -0.235 0.000 0.929 902 K CB 1.903 34.371 32.500 -0.053 0.000 1.353 902 K HN 0.573 nan 8.250 nan 0.000 0.536 903 Y N -0.594 119.739 120.300 0.056 0.000 2.519 903 Y HA 0.366 4.949 4.550 0.056 0.000 0.336 903 Y C -0.569 175.437 175.900 0.176 0.000 1.089 903 Y CA -1.131 57.039 58.100 0.116 0.000 1.025 903 Y CB 1.947 40.497 38.460 0.150 0.000 1.318 903 Y HN 0.674 nan 8.280 nan 0.000 0.452 904 A N 1.876 124.856 122.820 0.266 0.000 2.386 904 A HA 0.725 5.078 4.320 0.056 0.000 0.248 904 A C -0.764 176.934 177.584 0.190 0.000 1.082 904 A CA -0.155 51.999 52.037 0.196 0.000 0.789 904 A CB 0.308 19.393 19.000 0.141 0.000 1.025 904 A HN 0.549 nan 8.150 nan 0.000 0.490 905 V N 0.918 120.915 119.914 0.140 0.000 3.000 905 V HA 0.258 4.411 4.120 0.056 0.000 0.300 905 V C -1.552 174.602 176.094 0.099 0.000 1.251 905 V CA -0.420 61.914 62.300 0.057 0.000 0.972 905 V CB 1.952 33.697 31.823 -0.130 0.000 1.065 905 V HN 0.842 nan 8.190 nan 0.000 0.431 906 Y N 1.979 122.262 120.300 -0.028 0.000 2.356 906 Y HA 0.642 5.225 4.550 0.056 0.000 0.334 906 Y C 0.105 176.016 175.900 0.017 0.000 0.958 906 Y CA -0.058 58.044 58.100 0.005 0.000 1.196 906 Y CB 1.585 40.058 38.460 0.022 0.000 1.137 906 Y HN 0.678 nan 8.280 nan 0.000 0.485 907 T N 5.776 120.225 114.554 -0.175 0.000 2.864 907 T HA 0.542 4.925 4.350 0.056 0.000 0.299 907 T C -0.959 173.698 174.700 -0.071 0.000 1.011 907 T CA -0.559 61.505 62.100 -0.061 0.000 0.975 907 T CB 0.856 69.665 68.868 -0.098 0.000 0.962 907 T HN 0.304 nan 8.240 nan 0.000 0.448 908 V N 3.047 122.972 119.914 0.017 0.000 2.960 908 V HA 0.846 4.999 4.120 0.056 0.000 0.315 908 V C -0.697 175.435 176.094 0.063 0.000 1.087 908 V CA -0.826 61.519 62.300 0.075 0.000 0.982 908 V CB 2.374 34.303 31.823 0.176 0.000 1.039 908 V HN 0.632 nan 8.190 nan 0.000 0.437 909 V N 2.178 122.117 119.914 0.042 0.000 2.711 909 V HA 0.741 4.894 4.120 0.056 0.000 0.304 909 V C -0.622 175.488 176.094 0.027 0.000 1.097 909 V CA 0.134 62.443 62.300 0.015 0.000 0.906 909 V CB 2.300 34.103 31.823 -0.033 0.000 1.015 909 V HN 0.996 nan 8.190 nan 0.000 0.427 910 S N 3.786 119.523 115.700 0.060 0.000 2.689 910 S HA 0.675 5.178 4.470 0.056 0.000 0.306 910 S C -0.435 174.271 174.600 0.177 0.000 1.104 910 S CA -0.089 58.152 58.200 0.068 0.000 0.973 910 S CB 1.996 65.205 63.200 0.016 0.000 1.121 910 S HN 1.193 nan 8.310 nan 0.000 0.523 911 S N 1.878 117.647 115.700 0.115 0.000 2.466 911 S HA 0.264 4.767 4.470 0.056 0.000 0.313 911 S C -0.164 174.443 174.600 0.013 0.000 1.078 911 S CA -0.504 57.697 58.200 0.002 0.000 1.115 911 S CB -0.608 62.547 63.200 -0.074 0.000 1.006 911 S HN 0.796 nan 8.310 nan 0.000 0.487 912 H N 3.193 122.212 119.070 -0.085 0.000 3.038 912 H HA -0.022 4.568 4.556 0.056 0.000 0.338 912 H C 1.367 176.693 175.328 -0.004 0.000 1.041 912 H CA 0.828 56.854 56.048 -0.036 0.000 1.394 912 H CB 0.712 30.456 29.762 -0.030 0.000 1.357 912 H HN 0.834 nan 8.280 nan 0.000 0.600 913 E N 3.185 123.292 120.200 -0.154 0.000 2.512 913 E HA -0.110 4.274 4.350 0.056 0.000 0.195 913 E C 0.060 176.556 176.600 -0.174 0.000 1.083 913 E CA 0.231 56.573 56.400 -0.096 0.000 0.873 913 E CB 0.063 29.731 29.700 -0.054 0.000 0.897 913 E HN 0.645 nan 8.360 nan 0.000 0.514 914 Q N 1.192 120.781 119.800 -0.353 0.000 2.938 914 Q HA 0.153 4.526 4.340 0.056 0.000 0.343 914 Q C -1.040 174.915 176.000 -0.074 0.000 1.185 914 Q CA -0.338 55.331 55.803 -0.223 0.000 0.939 914 Q CB -0.311 28.275 28.738 -0.253 0.000 1.480 914 Q HN 0.344 nan 8.270 nan 0.000 0.442 915 F N -1.215 118.626 119.950 -0.181 0.000 2.469 915 F HA 0.393 4.954 4.527 0.056 0.000 0.332 915 F C -0.230 175.475 175.800 -0.159 0.000 1.103 915 F CA -0.789 57.093 58.000 -0.197 0.000 0.979 915 F CB 1.462 40.351 39.000 -0.185 0.000 1.137 915 F HN -0.231 nan 8.300 nan 0.000 0.463 916 T N 5.311 119.506 114.554 -0.599 0.000 2.992 916 T HA 0.153 4.536 4.350 0.056 0.000 0.299 916 T C -0.207 174.122 174.700 -0.619 0.000 1.027 916 T CA -0.323 61.479 62.100 -0.496 0.000 1.001 916 T CB -0.415 68.350 68.868 -0.172 0.000 1.005 916 T HN 0.575 nan 8.240 nan 0.000 0.599 917 K N 3.063 122.966 120.400 -0.829 0.000 2.354 917 K HA 0.256 4.610 4.320 0.056 0.000 0.257 917 K C 0.024 176.489 176.600 -0.226 0.000 1.062 917 K CA -0.705 55.289 56.287 -0.487 0.000 0.971 917 K CB 0.257 32.461 32.500 -0.493 0.000 1.305 917 K HN 0.725 nan 8.250 nan 0.000 0.449 918 Y N 3.560 123.746 120.300 -0.190 0.000 2.500 918 Y HA 0.210 4.793 4.550 0.056 0.000 0.246 918 Y C 0.023 175.826 175.900 -0.161 0.000 1.146 918 Y CA -1.104 56.910 58.100 -0.143 0.000 1.230 918 Y CB -0.435 37.982 38.460 -0.072 0.000 1.214 918 Y HN 0.303 nan 8.280 nan 0.000 0.526 919 L N 2.727 123.564 121.223 -0.643 0.000 2.714 919 L HA 0.095 4.468 4.340 0.056 0.000 0.301 919 L C -0.322 176.363 176.870 -0.308 0.000 1.248 919 L CA 0.072 54.596 54.840 -0.527 0.000 0.885 919 L CB -0.116 41.684 42.059 -0.432 0.000 1.143 919 L HN 0.617 nan 8.230 nan 0.000 0.500 920 N N 1.511 120.050 118.700 -0.268 0.000 3.043 920 N HA 0.197 4.970 4.740 0.056 0.000 0.243 920 N C -0.110 175.269 175.510 -0.218 0.000 1.347 920 N CA -0.746 52.127 53.050 -0.294 0.000 0.896 920 N CB 0.107 38.546 38.487 -0.079 0.000 1.501 920 N HN 0.421 nan 8.380 nan 0.000 0.504 921 F N 0.696 120.658 119.950 0.020 0.000 2.451 921 F HA -0.008 4.553 4.527 0.056 0.000 0.299 921 F C 1.614 177.428 175.800 0.023 0.000 1.101 921 F CA 0.723 58.751 58.000 0.046 0.000 1.436 921 F CB -0.234 38.800 39.000 0.057 0.000 1.074 921 F HN 0.523 nan 8.300 nan 0.000 0.553 922 S N 0.854 116.639 115.700 0.141 0.000 2.670 922 S HA 0.156 4.659 4.470 0.056 0.000 0.328 922 S C -0.054 174.531 174.600 -0.024 0.000 1.179 922 S CA -0.374 57.855 58.200 0.050 0.000 1.194 922 S CB 0.145 63.355 63.200 0.017 0.000 1.359 922 S HN 0.317 nan 8.310 nan 0.000 0.555 923 E N 2.498 122.685 120.200 -0.021 0.000 3.132 923 E HA 0.293 4.676 4.350 0.056 0.000 0.241 923 E C 0.624 177.177 176.600 -0.078 0.000 1.196 923 E CA -0.203 56.153 56.400 -0.073 0.000 0.869 923 E CB 0.331 30.016 29.700 -0.025 0.000 1.387 923 E HN 0.614 nan 8.360 nan 0.000 0.393 924 S N 1.648 117.293 115.700 -0.092 0.000 2.371 924 S HA 0.173 4.676 4.470 0.056 0.000 0.219 924 S C 0.608 175.162 174.600 -0.078 0.000 1.040 924 S CA 0.151 58.305 58.200 -0.076 0.000 0.958 924 S CB 0.080 63.241 63.200 -0.065 0.000 0.860 924 S HN 0.262 nan 8.310 nan 0.000 0.487 925 E N 0.863 121.003 120.200 -0.099 0.000 2.396 925 E HA 0.525 4.908 4.350 0.056 0.000 0.251 925 E C -1.187 175.356 176.600 -0.095 0.000 0.949 925 E CA -0.688 55.664 56.400 -0.079 0.000 0.834 925 E CB 0.809 30.469 29.700 -0.065 0.000 1.309 925 E HN 0.304 nan 8.360 nan 0.000 0.405 926 E N 0.997 121.173 120.200 -0.039 0.000 2.079 926 E HA 0.208 4.591 4.350 0.056 0.000 0.252 926 E C -0.631 175.994 176.600 0.042 0.000 0.992 926 E CA -0.203 56.208 56.400 0.018 0.000 0.829 926 E CB 0.654 30.387 29.700 0.054 0.000 1.158 926 E HN 0.190 nan 8.360 nan 0.000 0.435 927 K N 1.118 121.505 120.400 -0.022 0.000 2.868 927 K HA 0.173 4.526 4.320 0.056 0.000 0.304 927 K C 1.077 177.836 176.600 0.264 0.000 1.007 927 K CA -0.241 56.064 56.287 0.030 0.000 1.123 927 K CB 0.594 33.018 32.500 -0.127 0.000 1.408 927 K HN 0.332 nan 8.250 nan 0.000 0.522 928 E N -0.864 119.501 120.200 0.274 0.000 3.100 928 E HA 0.044 4.428 4.350 0.056 0.000 0.191 928 E C 0.172 176.985 176.600 0.355 0.000 1.097 928 E CA -0.348 56.241 56.400 0.314 0.000 1.339 928 E CB 0.282 30.092 29.700 0.183 0.000 1.330 928 E HN 0.173 nan 8.360 nan 0.000 0.511 929 S N 0.592 116.448 115.700 0.260 0.000 2.921 929 S HA 0.125 4.628 4.470 0.056 0.000 0.244 929 S C -0.691 174.027 174.600 0.197 0.000 1.291 929 S CA -0.610 57.703 58.200 0.189 0.000 1.010 929 S CB -0.174 63.088 63.200 0.103 0.000 1.255 929 S HN 0.423 nan 8.310 nan 0.000 0.492 930 H N 4.243 123.390 119.070 0.128 0.000 2.502 930 H HA 0.197 4.787 4.556 0.056 0.000 0.268 930 H C 0.369 175.629 175.328 -0.114 0.000 1.177 930 H CA -0.277 55.746 56.048 -0.040 0.000 0.961 930 H CB 0.309 29.995 29.762 -0.128 0.000 1.737 930 H HN 0.506 nan 8.280 nan 0.000 0.569 931 V N 1.828 121.727 119.914 -0.025 0.000 2.964 931 V HA -0.090 4.063 4.120 0.056 0.000 0.286 931 V C 0.089 176.186 176.094 0.005 0.000 1.363 931 V CA 0.907 63.240 62.300 0.055 0.000 1.411 931 V CB -0.468 31.377 31.823 0.037 0.000 0.835 931 V HN 0.613 nan 8.190 nan 0.000 0.487 932 A N 7.783 130.701 122.820 0.163 0.000 2.269 932 A HA 0.840 5.194 4.320 0.056 0.000 0.319 932 A C -0.135 177.549 177.584 0.167 0.000 1.110 932 A CA -0.732 51.355 52.037 0.083 0.000 0.847 932 A CB 1.173 20.173 19.000 -0.000 0.000 1.161 932 A HN 1.094 nan 8.150 nan 0.000 0.497 933 M N 2.251 121.845 119.600 -0.010 0.000 2.060 933 M HA 0.256 4.769 4.480 0.056 0.000 0.275 933 M C -1.424 174.835 176.300 -0.070 0.000 0.919 933 M CA -0.114 55.200 55.300 0.024 0.000 0.970 933 M CB 0.944 33.537 32.600 -0.012 0.000 1.670 933 M HN 0.804 nan 8.290 nan 0.000 0.440 934 H N 3.706 122.846 119.070 0.117 0.000 2.741 934 H HA 0.283 4.872 4.556 0.056 0.000 0.282 934 H C -0.515 174.750 175.328 -0.106 0.000 1.122 934 H CA -0.292 55.756 56.048 0.000 0.000 1.293 934 H CB 0.805 30.593 29.762 0.044 0.000 1.415 934 H HN 0.542 nan 8.280 nan 0.000 0.472 935 R N 3.633 124.106 120.500 -0.045 0.000 2.297 935 R HA 0.224 4.598 4.340 0.056 0.000 0.308 935 R C -1.280 174.940 176.300 -0.134 0.000 1.029 935 R CA -0.414 55.691 56.100 0.008 0.000 0.929 935 R CB 0.533 30.910 30.300 0.128 0.000 1.046 935 R HN 0.456 nan 8.270 nan 0.000 0.461 936 Y N 2.401 122.767 120.300 0.111 0.000 2.376 936 Y HA 0.260 4.843 4.550 0.056 0.000 0.340 936 Y C -0.088 175.740 175.900 -0.120 0.000 0.965 936 Y CA -0.685 57.447 58.100 0.053 0.000 1.078 936 Y CB 2.322 40.881 38.460 0.164 0.000 1.193 936 Y HN 0.418 nan 8.280 nan 0.000 0.452 937 Q N 2.441 122.266 119.800 0.043 0.000 2.312 937 Q HA 0.699 5.072 4.340 0.056 0.000 0.263 937 Q C -1.469 174.494 176.000 -0.062 0.000 0.995 937 Q CA -1.006 54.742 55.803 -0.091 0.000 0.853 937 Q CB 3.295 31.947 28.738 -0.144 0.000 1.300 937 Q HN 0.502 nan 8.270 nan 0.000 0.448 938 V N 2.725 122.585 119.914 -0.090 0.000 3.007 938 V HA 0.691 4.845 4.120 0.056 0.000 0.311 938 V C -1.950 174.233 176.094 0.149 0.000 1.120 938 V CA -0.440 61.844 62.300 -0.027 0.000 0.980 938 V CB 2.383 34.105 31.823 -0.168 0.000 1.033 938 V HN 1.049 nan 8.190 nan 0.000 0.429 939 N N 2.430 121.281 118.700 0.252 0.000 2.636 939 N HA 0.380 5.154 4.740 0.056 0.000 0.261 939 N C -2.001 173.716 175.510 0.345 0.000 1.195 939 N CA -0.772 52.497 53.050 0.366 0.000 0.902 939 N CB 1.253 39.828 38.487 0.148 0.000 1.627 939 N HN 0.631 nan 8.380 nan 0.000 0.491 940 N N 1.081 119.934 118.700 0.255 0.000 2.407 940 N HA 0.312 5.085 4.740 0.056 0.000 0.277 940 N C -0.880 174.703 175.510 0.121 0.000 0.995 940 N CA -0.648 52.529 53.050 0.212 0.000 0.903 940 N CB 1.382 39.993 38.487 0.208 0.000 1.218 940 N HN 0.521 nan 8.380 nan 0.000 0.487 941 L N 1.604 122.977 121.223 0.250 0.000 2.653 941 L HA 0.325 4.698 4.340 0.056 0.000 0.232 941 L C 1.669 178.599 176.870 0.101 0.000 1.169 941 L CA -0.103 54.821 54.840 0.139 0.000 0.951 941 L CB -0.525 41.573 42.059 0.064 0.000 1.181 941 L HN 0.786 nan 8.230 nan 0.000 0.460 942 G N -0.349 108.525 108.800 0.124 0.000 2.418 942 G HA2 0.094 4.088 3.960 0.056 0.000 0.276 942 G HA3 0.094 4.088 3.960 0.056 0.000 0.276 942 G C 0.392 175.319 174.900 0.045 0.000 1.442 942 G CA -0.158 44.992 45.100 0.084 0.000 1.066 942 G HN 0.434 nan 8.290 nan 0.000 0.553 943 Q N -1.132 118.691 119.800 0.038 0.000 2.023 943 Q HA 0.246 4.619 4.340 0.056 0.000 0.221 943 Q C -0.199 175.816 176.000 0.024 0.000 0.806 943 Q CA -0.054 55.773 55.803 0.039 0.000 1.052 943 Q CB 1.447 30.221 28.738 0.059 0.000 1.229 943 Q HN 0.347 nan 8.270 nan 0.000 0.440 944 R N 0.771 121.266 120.500 -0.009 0.000 2.584 944 R HA 0.237 4.611 4.340 0.056 0.000 0.276 944 R C -1.624 174.621 176.300 -0.091 0.000 1.046 944 R CA -0.789 55.293 56.100 -0.030 0.000 0.906 944 R CB 1.610 31.911 30.300 0.002 0.000 1.215 944 R HN 0.026 nan 8.270 nan 0.000 0.449 945 D N 3.716 124.070 120.400 -0.077 0.000 2.417 945 D HA 0.240 4.913 4.640 0.056 0.000 0.250 945 D C -0.433 175.794 176.300 -0.122 0.000 1.166 945 D CA 0.370 54.315 54.000 -0.091 0.000 0.881 945 D CB 0.642 41.410 40.800 -0.053 0.000 1.164 945 D HN 0.276 nan 8.370 nan 0.000 0.467 946 L N 0.181 121.306 121.223 -0.162 0.000 2.543 946 L HA 0.575 4.949 4.340 0.056 0.000 0.265 946 L C -3.032 173.771 176.870 -0.112 0.000 0.945 946 L CA -2.074 52.588 54.840 -0.297 0.000 0.869 946 L CB 2.003 43.549 42.059 -0.855 0.000 1.294 946 L HN -0.032 nan 8.230 nan 0.000 0.405 947 P HA 0.324 nan 4.420 nan 0.000 0.266 947 P C -0.706 176.619 177.300 0.042 0.000 1.193 947 P CA -0.153 62.976 63.100 0.049 0.000 0.770 947 P CB 1.013 32.763 31.700 0.084 0.000 0.836 948 V N -1.503 118.435 119.914 0.040 0.000 3.206 948 V HA 0.822 4.976 4.120 0.056 0.000 0.305 948 V C -0.976 175.115 176.094 -0.005 0.000 1.257 948 V CA -0.833 61.486 62.300 0.033 0.000 1.057 948 V CB 2.148 33.925 31.823 -0.077 0.000 1.075 948 V HN 0.441 nan 8.190 nan 0.000 0.443 949 S N 1.267 116.962 115.700 -0.008 0.000 2.776 949 S HA 0.662 5.166 4.470 0.056 0.000 0.284 949 S C -0.866 173.670 174.600 -0.108 0.000 1.160 949 S CA -0.540 57.626 58.200 -0.057 0.000 1.051 949 S CB 0.454 63.630 63.200 -0.040 0.000 1.037 949 S HN 0.740 nan 8.310 nan 0.000 0.485 950 I N 5.030 125.508 120.570 -0.154 0.000 2.322 950 I HA 0.255 4.459 4.170 0.056 0.000 0.292 950 I C 0.418 176.293 176.117 -0.402 0.000 1.060 950 I CA -0.345 60.797 61.300 -0.263 0.000 1.309 950 I CB 0.699 38.593 38.000 -0.178 0.000 1.415 950 I HN 0.597 nan 8.210 nan 0.000 0.492 951 N N 5.072 123.504 118.700 -0.446 0.000 2.495 951 N HA 0.620 5.393 4.740 0.056 0.000 0.280 951 N C -1.060 173.989 175.510 -0.769 0.000 1.168 951 N CA -0.289 52.467 53.050 -0.491 0.000 0.978 951 N CB 1.210 39.491 38.487 -0.343 0.000 1.191 951 N HN 0.260 nan 8.380 nan 0.000 0.497 952 F N -0.241 119.407 119.950 -0.504 0.000 2.675 952 F HA 0.562 5.122 4.527 0.056 0.000 0.324 952 F C -1.261 174.072 175.800 -0.779 0.000 1.106 952 F CA -0.595 57.163 58.000 -0.404 0.000 0.970 952 F CB 1.360 40.288 39.000 -0.120 0.000 1.385 952 F HN 0.417 nan 8.300 nan 0.000 0.489 953 W N 1.134 122.645 121.300 0.353 0.000 2.822 953 W HA 0.650 5.343 4.660 0.056 0.000 0.317 953 W C -1.959 174.682 176.519 0.202 0.000 1.033 953 W CA -0.633 56.843 57.345 0.220 0.000 1.252 953 W CB 1.388 30.916 29.460 0.113 0.000 1.186 953 W HN 0.159 nan 8.180 nan 0.000 0.383 954 V N 4.568 124.719 119.914 0.395 0.000 2.407 954 V HA 0.441 4.595 4.120 0.056 0.000 0.291 954 V C -2.044 174.242 176.094 0.319 0.000 1.018 954 V CA -2.307 60.203 62.300 0.349 0.000 0.842 954 V CB 1.927 33.916 31.823 0.277 0.000 0.996 954 V HN 0.135 nan 8.190 nan 0.000 0.426 955 P HA 0.248 nan 4.420 nan 0.000 0.267 955 P C -0.038 177.400 177.300 0.229 0.000 1.200 955 P CA 0.458 63.659 63.100 0.169 0.000 0.772 955 P CB 1.253 32.967 31.700 0.024 0.000 0.855 956 V N 0.438 120.397 119.914 0.074 0.000 5.804 956 V HA 0.110 4.263 4.120 0.056 0.000 0.088 956 V C 0.011 176.083 176.094 -0.037 0.000 0.886 956 V CA -0.258 62.076 62.300 0.057 0.000 1.231 956 V CB -0.676 31.157 31.823 0.016 0.000 2.101 956 V HN 0.323 nan 8.190 nan 0.000 0.525 957 E N 2.262 122.442 120.200 -0.033 0.000 2.568 957 E HA 0.155 4.539 4.350 0.056 0.000 0.262 957 E C -0.751 175.788 176.600 -0.103 0.000 0.961 957 E CA 0.475 56.846 56.400 -0.049 0.000 0.945 957 E CB 0.500 30.179 29.700 -0.034 0.000 0.924 957 E HN 0.397 nan 8.360 nan 0.000 0.467 958 L N 4.292 125.450 121.223 -0.109 0.000 2.492 958 L HA 0.224 4.597 4.340 0.056 0.000 0.259 958 L C -0.525 176.267 176.870 -0.130 0.000 1.229 958 L CA -0.180 54.556 54.840 -0.175 0.000 0.903 958 L CB 0.061 41.968 42.059 -0.253 0.000 1.114 958 L HN 0.535 nan 8.230 nan 0.000 0.494 959 N N 3.194 121.828 118.700 -0.111 0.000 2.746 959 N HA -0.263 4.510 4.740 0.056 0.000 0.250 959 N C 0.641 176.149 175.510 -0.003 0.000 1.055 959 N CA 1.585 54.605 53.050 -0.050 0.000 0.699 959 N CB -1.008 37.444 38.487 -0.059 0.000 0.919 959 N HN 0.972 nan 8.380 nan 0.000 0.548 960 Q N -2.100 117.698 119.800 -0.004 0.000 2.261 960 Q HA -0.341 4.032 4.340 0.056 0.000 0.155 960 Q C -0.719 175.300 176.000 0.033 0.000 0.598 960 Q CA 2.180 57.993 55.803 0.016 0.000 1.376 960 Q CB -0.995 27.759 28.738 0.027 0.000 1.356 960 Q HN 0.623 nan 8.270 nan 0.000 0.947 961 E N 0.926 121.150 120.200 0.040 0.000 1.996 961 E HA 0.554 4.938 4.350 0.056 0.000 0.280 961 E C -0.582 176.068 176.600 0.084 0.000 1.092 961 E CA 0.694 57.147 56.400 0.089 0.000 0.862 961 E CB 0.684 30.463 29.700 0.132 0.000 1.066 961 E HN 0.423 nan 8.360 nan 0.000 0.396 962 A N 3.698 126.575 122.820 0.095 0.000 2.531 962 A HA 0.072 4.425 4.320 0.056 0.000 0.236 962 A C 1.011 178.668 177.584 0.122 0.000 1.062 962 A CA -0.218 51.870 52.037 0.085 0.000 0.760 962 A CB 0.558 19.619 19.000 0.101 0.000 0.995 962 A HN 0.606 nan 8.150 nan 0.000 0.501 963 V N 1.852 121.763 119.914 -0.006 0.000 2.326 963 V HA 0.096 4.249 4.120 0.056 0.000 0.238 963 V C 0.493 176.766 176.094 0.299 0.000 1.038 963 V CA 1.778 63.955 62.300 -0.206 0.000 1.032 963 V CB -0.383 31.125 31.823 -0.524 0.000 0.675 963 V HN 1.037 nan 8.190 nan 0.000 0.467 964 W N -0.328 120.965 121.300 -0.012 0.000 3.259 964 W HA 0.757 5.450 4.660 0.056 0.000 0.331 964 W C -1.410 175.133 176.519 0.040 0.000 1.144 964 W CA -2.207 55.169 57.345 0.053 0.000 1.227 964 W CB 0.217 29.717 29.460 0.067 0.000 1.371 964 W HN 0.077 nan 8.180 nan 0.000 0.491 965 M N 3.140 122.801 119.600 0.102 0.000 2.494 965 M HA 0.307 4.820 4.480 0.056 0.000 0.300 965 M C 0.149 176.391 176.300 -0.097 0.000 1.189 965 M CA -0.467 54.827 55.300 -0.011 0.000 0.982 965 M CB 0.566 33.195 32.600 0.048 0.000 1.534 965 M HN 0.404 nan 8.290 nan 0.000 0.488 966 D N 0.181 120.530 120.400 -0.084 0.000 2.692 966 D HA -0.107 4.567 4.640 0.056 0.000 0.233 966 D C -1.068 175.139 176.300 -0.155 0.000 1.172 966 D CA 0.420 54.369 54.000 -0.085 0.000 0.636 966 D CB -1.529 39.245 40.800 -0.043 0.000 1.028 966 D HN 0.280 nan 8.370 nan 0.000 0.419 967 V N 0.441 120.206 119.914 -0.247 0.000 2.432 967 V HA 0.280 4.433 4.120 0.056 0.000 0.271 967 V C 0.870 176.841 176.094 -0.205 0.000 1.046 967 V CA 0.101 62.170 62.300 -0.386 0.000 0.945 967 V CB 1.587 32.973 31.823 -0.728 0.000 0.992 967 V HN 0.085 nan 8.190 nan 0.000 0.471 968 E N 2.542 122.602 120.200 -0.233 0.000 2.431 968 E HA 0.687 5.070 4.350 0.056 0.000 0.268 968 E C -1.528 174.890 176.600 -0.304 0.000 0.953 968 E CA -0.882 55.409 56.400 -0.182 0.000 0.810 968 E CB 2.802 32.453 29.700 -0.081 0.000 1.369 968 E HN 0.406 nan 8.360 nan 0.000 0.440 969 V N 1.114 120.866 119.914 -0.270 0.000 2.443 969 V HA 0.367 4.520 4.120 0.056 0.000 0.293 969 V C -0.753 175.268 176.094 -0.122 0.000 1.021 969 V CA -0.244 61.892 62.300 -0.273 0.000 0.848 969 V CB 1.501 33.068 31.823 -0.426 0.000 0.998 969 V HN 0.635 nan 8.190 nan 0.000 0.424 970 S N 4.781 120.457 115.700 -0.040 0.000 2.584 970 S HA 0.398 4.901 4.470 0.056 0.000 0.273 970 S C -0.330 174.356 174.600 0.144 0.000 1.311 970 S CA -0.114 58.108 58.200 0.036 0.000 1.034 970 S CB 0.365 63.591 63.200 0.042 0.000 0.939 970 S HN 1.016 nan 8.310 nan 0.000 0.513 971 H N 4.297 123.378 119.070 0.019 0.000 2.336 971 H HA 0.515 5.104 4.556 0.056 0.000 0.230 971 H C -2.779 172.609 175.328 0.100 0.000 1.426 971 H CA -2.105 53.991 56.048 0.080 0.000 1.359 971 H CB 0.061 29.802 29.762 -0.035 0.000 1.555 971 H HN 0.398 nan 8.280 nan 0.000 0.512 972 P HA 0.052 nan 4.420 nan 0.000 0.274 972 P C 0.062 177.277 177.300 -0.141 0.000 1.260 972 P CA -0.020 63.048 63.100 -0.054 0.000 0.793 972 P CB 0.673 32.386 31.700 0.021 0.000 1.048 973 Q N -2.039 117.702 119.800 -0.098 0.000 2.422 973 Q HA -0.207 4.167 4.340 0.056 0.000 0.245 973 Q C -0.616 175.303 176.000 -0.134 0.000 0.922 973 Q CA 1.380 57.134 55.803 -0.082 0.000 1.192 973 Q CB -2.160 26.554 28.738 -0.039 0.000 1.641 973 Q HN 0.616 nan 8.270 nan 0.000 0.552 974 N N -0.584 117.951 118.700 -0.274 0.000 2.745 974 N HA 0.320 5.093 4.740 0.056 0.000 0.256 974 N C -2.741 172.609 175.510 -0.266 0.000 1.268 974 N CA -1.085 51.777 53.050 -0.313 0.000 0.887 974 N CB 1.790 39.951 38.487 -0.543 0.000 1.575 974 N HN -0.223 nan 8.380 nan 0.000 0.496 975 P HA -0.034 nan 4.420 nan 0.000 0.270 975 P C -0.100 177.254 177.300 0.090 0.000 1.216 975 P CA 0.052 63.168 63.100 0.025 0.000 0.788 975 P CB 0.188 31.927 31.700 0.066 0.000 0.883 976 S N 0.817 116.558 115.700 0.068 0.000 2.503 976 S HA 0.248 4.751 4.470 0.056 0.000 0.317 976 S C 0.221 174.872 174.600 0.086 0.000 1.162 976 S CA -0.589 57.659 58.200 0.080 0.000 1.124 976 S CB -0.889 62.333 63.200 0.037 0.000 1.207 976 S HN 0.174 nan 8.310 nan 0.000 0.538 977 L N 3.077 124.373 121.223 0.121 0.000 2.439 977 L HA 0.491 4.864 4.340 0.056 0.000 0.259 977 L C 0.991 177.845 176.870 -0.028 0.000 1.129 977 L CA -0.182 54.676 54.840 0.029 0.000 0.803 977 L CB 0.566 42.596 42.059 -0.048 0.000 1.161 977 L HN 0.611 nan 8.230 nan 0.000 0.462 978 R N 0.285 120.761 120.500 -0.041 0.000 2.312 978 R HA 0.563 4.937 4.340 0.056 0.000 0.311 978 R C -1.237 175.023 176.300 -0.065 0.000 1.004 978 R CA -0.481 55.594 56.100 -0.042 0.000 0.902 978 R CB 0.902 31.184 30.300 -0.029 0.000 1.073 978 R HN 0.487 nan 8.270 nan 0.000 0.457 979 c N 1.031 119.600 118.600 -0.051 0.000 2.634 979 c HA 0.517 5.121 4.570 0.056 0.000 0.313 979 c C 0.409 174.483 174.090 -0.027 0.000 1.198 979 c CA -0.587 55.720 56.329 -0.037 0.000 1.605 979 c CB 2.044 44.549 42.510 -0.008 0.000 2.196 979 c HN 0.818 nan 8.230 nan 0.000 0.486 980 S N 1.134 116.803 115.700 -0.050 0.000 2.690 980 S HA 0.861 5.365 4.470 0.056 0.000 0.291 980 S C -0.420 174.048 174.600 -0.221 0.000 1.138 980 S CA -0.284 57.851 58.200 -0.110 0.000 1.013 980 S CB 0.951 64.083 63.200 -0.113 0.000 1.053 980 S HN 1.080 nan 8.310 nan 0.000 0.539 981 S N 1.870 117.401 115.700 -0.283 0.000 2.575 981 S HA 0.676 5.179 4.470 0.056 0.000 0.278 981 S C -1.556 172.844 174.600 -0.334 0.000 1.139 981 S CA -0.854 57.058 58.200 -0.480 0.000 0.954 981 S CB 1.436 64.363 63.200 -0.455 0.000 1.054 981 S HN 0.726 nan 8.310 nan 0.000 0.483 982 E N 1.349 121.335 120.200 -0.356 0.000 2.321 982 E HA 0.325 4.709 4.350 0.056 0.000 0.281 982 E C -1.345 175.152 176.600 -0.171 0.000 0.910 982 E CA -0.757 55.517 56.400 -0.210 0.000 0.770 982 E CB 2.308 31.915 29.700 -0.155 0.000 1.225 982 E HN 0.577 nan 8.360 nan 0.000 0.417 983 K N 2.684 123.016 120.400 -0.113 0.000 2.144 983 K HA 0.626 4.979 4.320 0.056 0.000 0.270 983 K C -0.049 176.538 176.600 -0.020 0.000 1.005 983 K CA -0.420 55.828 56.287 -0.065 0.000 0.932 983 K CB 0.957 33.422 32.500 -0.059 0.000 1.021 983 K HN 0.463 nan 8.250 nan 0.000 0.462 984 I N -2.128 118.450 120.570 0.013 0.000 2.752 984 I HA 0.578 4.781 4.170 0.056 0.000 0.295 984 I C -1.280 174.847 176.117 0.017 0.000 1.219 984 I CA -1.163 60.154 61.300 0.028 0.000 1.030 984 I CB 2.341 40.386 38.000 0.076 0.000 1.259 984 I HN 0.515 nan 8.210 nan 0.000 0.423 985 A N 5.278 128.100 122.820 0.004 0.000 2.260 985 A HA 0.874 5.228 4.320 0.056 0.000 0.314 985 A C -2.306 175.270 177.584 -0.013 0.000 1.257 985 A CA -1.344 50.688 52.037 -0.008 0.000 0.871 985 A CB -0.119 18.876 19.000 -0.009 0.000 1.166 985 A HN 0.686 nan 8.150 nan 0.000 0.522 986 P HA 0.198 nan 4.420 nan 0.000 0.280 986 P C -1.577 175.705 177.300 -0.029 0.000 1.278 986 P CA -0.805 62.270 63.100 -0.041 0.000 0.787 986 P CB -0.021 31.639 31.700 -0.066 0.000 1.163 987 P HA -0.028 nan 4.420 nan 0.000 0.226 987 P C 0.262 177.562 177.300 -0.000 0.000 1.153 987 P CA 1.357 64.448 63.100 -0.016 0.000 0.777 987 P CB -0.319 31.370 31.700 -0.018 0.000 0.794 988 A N -1.268 121.555 122.820 0.005 0.000 2.969 988 A HA -0.141 4.213 4.320 0.056 0.000 0.252 988 A C 0.794 178.413 177.584 0.058 0.000 1.377 988 A CA 0.556 52.619 52.037 0.044 0.000 0.859 988 A CB -2.674 16.350 19.000 0.040 0.000 1.077 988 A HN 0.322 nan 8.150 nan 0.000 0.671 989 S N 0.031 115.755 115.700 0.039 0.000 2.617 989 S HA 0.311 4.815 4.470 0.056 0.000 0.255 989 S C 0.388 175.021 174.600 0.055 0.000 1.318 989 S CA 0.311 58.537 58.200 0.043 0.000 0.978 989 S CB 0.232 63.462 63.200 0.051 0.000 0.961 989 S HN 0.681 nan 8.310 nan 0.000 0.582 990 D N 1.033 121.442 120.400 0.015 0.000 2.357 990 D HA 0.058 4.731 4.640 0.056 0.000 0.265 990 D C 0.795 177.072 176.300 -0.038 0.000 1.334 990 D CA -0.417 53.533 54.000 -0.083 0.000 0.984 990 D CB -0.364 40.388 40.800 -0.080 0.000 1.077 990 D HN 0.433 nan 8.370 nan 0.000 0.514 991 F N 2.983 122.956 119.950 0.039 0.000 2.407 991 F HA 0.022 4.583 4.527 0.056 0.000 0.299 991 F C 1.764 177.626 175.800 0.102 0.000 1.097 991 F CA -0.151 57.880 58.000 0.052 0.000 1.422 991 F CB -0.735 38.263 39.000 -0.004 0.000 1.067 991 F HN 0.324 nan 8.300 nan 0.000 0.539 992 L N 1.445 122.436 121.223 -0.386 0.000 1.951 992 L HA -0.233 4.140 4.340 0.056 0.000 0.222 992 L C 2.670 179.558 176.870 0.030 0.000 1.078 992 L CA 2.212 56.964 54.840 -0.147 0.000 0.778 992 L CB -0.860 41.039 42.059 -0.267 0.000 0.893 992 L HN 0.259 nan 8.230 nan 0.000 0.436 993 A N -1.764 121.058 122.820 0.003 0.000 2.014 993 A HA -0.225 4.128 4.320 0.056 0.000 0.218 993 A C 2.178 179.807 177.584 0.075 0.000 1.163 993 A CA 1.195 53.252 52.037 0.032 0.000 0.652 993 A CB -0.969 18.033 19.000 0.004 0.000 0.808 993 A HN 0.767 nan 8.150 nan 0.000 0.449 994 H N 1.168 120.262 119.070 0.039 0.000 2.253 994 H HA -0.169 4.421 4.556 0.056 0.000 0.296 994 H C 1.932 177.300 175.328 0.067 0.000 1.074 994 H CA 2.314 58.398 56.048 0.058 0.000 1.263 994 H CB -0.268 29.549 29.762 0.092 0.000 1.363 994 H HN 0.578 nan 8.280 nan 0.000 0.489 995 I N -0.405 120.343 120.570 0.297 0.000 3.291 995 I HA -0.042 4.162 4.170 0.056 0.000 0.279 995 I C 2.422 178.606 176.117 0.112 0.000 1.294 995 I CA 0.853 62.279 61.300 0.210 0.000 1.428 995 I CB -0.315 37.834 38.000 0.248 0.000 1.070 995 I HN 0.204 nan 8.210 nan 0.000 0.478 996 Q N 1.911 121.765 119.800 0.090 0.000 2.119 996 Q HA -0.172 4.201 4.340 0.056 0.000 0.201 996 Q C 2.028 178.039 176.000 0.017 0.000 0.972 996 Q CA 1.394 57.229 55.803 0.053 0.000 0.847 996 Q CB 0.100 28.865 28.738 0.044 0.000 0.903 996 Q HN 0.576 nan 8.270 nan 0.000 0.433 997 K N 0.196 120.587 120.400 -0.015 0.000 1.978 997 K HA -0.126 4.227 4.320 0.056 0.000 0.214 997 K C 0.643 177.227 176.600 -0.027 0.000 1.049 997 K CA 1.114 57.375 56.287 -0.043 0.000 0.939 997 K CB -0.040 32.395 32.500 -0.107 0.000 0.721 997 K HN 0.067 nan 8.250 nan 0.000 0.441 998 N N -0.770 117.916 118.700 -0.024 0.000 2.410 998 N HA 0.174 4.948 4.740 0.056 0.000 0.287 998 N C -2.518 173.017 175.510 0.042 0.000 1.044 998 N CA -2.108 50.943 53.050 0.001 0.000 0.881 998 N CB 1.847 40.325 38.487 -0.015 0.000 1.405 998 N HN -0.262 nan 8.380 nan 0.000 0.490 999 P HA -0.124 nan 4.420 nan 0.000 0.224 999 P C 0.365 177.718 177.300 0.089 0.000 1.142 999 P CA 0.712 63.855 63.100 0.070 0.000 0.778 999 P CB -0.017 31.711 31.700 0.046 0.000 0.764 1000 V N -2.150 117.808 119.914 0.072 0.000 3.061 1000 V HA -0.049 4.105 4.120 0.056 0.000 0.306 1000 V C 0.369 176.518 176.094 0.092 0.000 1.118 1000 V CA 0.065 62.409 62.300 0.072 0.000 1.231 1000 V CB -0.082 31.775 31.823 0.057 0.000 0.956 1000 V HN -0.059 nan 8.190 nan 0.000 0.499 1001 L N 3.785 125.043 121.223 0.059 0.000 2.556 1001 L HA 0.454 4.828 4.340 0.056 0.000 0.243 1001 L C -0.155 176.707 176.870 -0.013 0.000 1.331 1001 L CA -0.543 54.305 54.840 0.013 0.000 0.927 1001 L CB 0.336 42.363 42.059 -0.053 0.000 1.219 1001 L HN 1.067 nan 8.230 nan 0.000 0.490 1002 D N -0.274 120.135 120.400 0.014 0.000 2.393 1002 D HA -0.021 4.652 4.640 0.056 0.000 0.246 1002 D C 1.103 177.383 176.300 -0.034 0.000 1.275 1002 D CA -0.458 53.541 54.000 -0.002 0.000 0.979 1002 D CB 0.629 41.433 40.800 0.007 0.000 1.101 1002 D HN 0.268 nan 8.370 nan 0.000 0.505 1003 c N -0.438 118.142 118.600 -0.034 0.000 2.491 1003 c HA -0.029 4.575 4.570 0.056 0.000 0.277 1003 c C 2.454 176.499 174.090 -0.075 0.000 1.455 1003 c CA 0.825 57.135 56.329 -0.032 0.000 1.758 1003 c CB -1.800 40.712 42.510 0.003 0.000 1.745 1003 c HN 0.737 nan 8.230 nan 0.000 0.558 1004 S N 0.132 115.774 115.700 -0.097 0.000 2.515 1004 S HA 0.040 4.543 4.470 0.056 0.000 0.231 1004 S C 1.414 175.911 174.600 -0.172 0.000 0.987 1004 S CA 0.976 59.102 58.200 -0.123 0.000 0.936 1004 S CB -0.291 62.845 63.200 -0.106 0.000 0.766 1004 S HN 0.508 nan 8.310 nan 0.000 0.528 1005 I N 1.056 121.522 120.570 -0.174 0.000 3.136 1005 I HA 0.406 4.610 4.170 0.056 0.000 0.262 1005 I C 1.293 177.303 176.117 -0.178 0.000 1.132 1005 I CA 0.373 61.558 61.300 -0.192 0.000 1.450 1005 I CB -1.140 36.751 38.000 -0.182 0.000 1.315 1005 I HN 0.350 nan 8.210 nan 0.000 0.460 1006 A N 0.841 123.557 122.820 -0.173 0.000 2.301 1006 A HA 0.619 4.973 4.320 0.056 0.000 0.312 1006 A C 0.598 178.120 177.584 -0.103 0.000 1.182 1006 A CA -0.153 51.775 52.037 -0.182 0.000 0.826 1006 A CB 0.288 19.139 19.000 -0.249 0.000 1.134 1006 A HN 0.366 nan 8.150 nan 0.000 0.501 1007 G N 0.990 109.738 108.800 -0.086 0.000 2.138 1007 G HA2 0.244 4.238 3.960 0.056 0.000 0.263 1007 G HA3 0.244 4.238 3.960 0.056 0.000 0.263 1007 G C 0.382 175.280 174.900 -0.003 0.000 1.103 1007 G CA 0.320 45.397 45.100 -0.038 0.000 1.014 1007 G HN 0.899 nan 8.290 nan 0.000 0.418 1008 c N 2.646 121.272 118.600 0.042 0.000 2.517 1008 c HA 0.772 5.375 4.570 0.056 0.000 0.357 1008 c C 0.375 174.530 174.090 0.109 0.000 1.485 1008 c CA -0.741 55.657 56.329 0.116 0.000 2.148 1008 c CB 0.627 43.258 42.510 0.202 0.000 2.019 1008 c HN 0.678 nan 8.230 nan 0.000 0.576 1009 L N 2.852 124.166 121.223 0.151 0.000 2.504 1009 L HA 0.443 4.816 4.340 0.056 0.000 0.265 1009 L C -0.340 176.498 176.870 -0.054 0.000 0.975 1009 L CA -0.282 54.558 54.840 0.001 0.000 0.864 1009 L CB 0.553 42.599 42.059 -0.021 0.000 1.212 1009 L HN 0.743 nan 8.230 nan 0.000 0.416 1010 R N 3.991 124.344 120.500 -0.245 0.000 2.265 1010 R HA 0.384 4.758 4.340 0.056 0.000 0.314 1010 R C -1.699 174.286 176.300 -0.525 0.000 1.053 1010 R CA -0.246 55.553 56.100 -0.502 0.000 0.931 1010 R CB 0.634 30.536 30.300 -0.664 0.000 1.024 1010 R HN 0.372 nan 8.270 nan 0.000 0.457 1011 F N 3.890 123.659 119.950 -0.302 0.000 2.388 1011 F HA 0.360 4.920 4.527 0.056 0.000 0.358 1011 F C 0.725 176.413 175.800 -0.187 0.000 1.122 1011 F CA -0.678 57.232 58.000 -0.151 0.000 1.056 1011 F CB 1.416 40.420 39.000 0.007 0.000 1.155 1011 F HN 0.352 nan 8.300 nan 0.000 0.461 1012 R N 3.584 124.041 120.500 -0.072 0.000 2.522 1012 R HA 0.443 4.816 4.340 0.056 0.000 0.290 1012 R C -1.404 174.852 176.300 -0.073 0.000 1.216 1012 R CA -0.243 55.791 56.100 -0.111 0.000 1.250 1012 R CB -0.009 30.211 30.300 -0.133 0.000 1.143 1012 R HN 0.719 nan 8.270 nan 0.000 0.553 1013 c N 4.343 122.896 118.600 -0.078 0.000 2.227 1013 c HA 0.250 4.854 4.570 0.056 0.000 0.333 1013 c C 0.151 174.165 174.090 -0.128 0.000 1.145 1013 c CA -1.001 55.252 56.329 -0.126 0.000 1.643 1013 c CB -0.602 41.773 42.510 -0.225 0.000 2.185 1013 c HN 0.696 nan 8.230 nan 0.000 0.497 1014 D N 1.278 121.621 120.400 -0.095 0.000 2.361 1014 D HA 0.379 5.052 4.640 0.056 0.000 0.239 1014 D C -0.206 176.058 176.300 -0.060 0.000 1.200 1014 D CA 0.279 54.241 54.000 -0.064 0.000 0.915 1014 D CB 1.102 41.878 40.800 -0.040 0.000 1.170 1014 D HN 0.263 nan 8.370 nan 0.000 0.444 1015 V N 2.287 122.187 119.914 -0.023 0.000 2.668 1015 V HA 0.138 4.292 4.120 0.056 0.000 0.304 1015 V C -1.491 174.628 176.094 0.042 0.000 1.071 1015 V CA -1.124 61.182 62.300 0.010 0.000 0.894 1015 V CB 2.207 34.037 31.823 0.012 0.000 1.008 1015 V HN 0.425 nan 8.190 nan 0.000 0.425 1016 P HA -0.054 nan 4.420 nan 0.000 0.210 1016 P C 0.468 177.808 177.300 0.067 0.000 1.189 1016 P CA 1.045 64.178 63.100 0.054 0.000 0.920 1016 P CB 0.415 32.147 31.700 0.054 0.000 0.782 1017 S N -1.577 114.176 115.700 0.087 0.000 2.673 1017 S HA 0.334 4.837 4.470 0.056 0.000 0.256 1017 S C -1.089 173.591 174.600 0.135 0.000 1.141 1017 S CA -0.692 57.558 58.200 0.083 0.000 1.109 1017 S CB -0.527 62.699 63.200 0.043 0.000 1.101 1017 S HN -0.041 nan 8.310 nan 0.000 0.471 1018 F N 5.604 125.535 119.950 -0.030 0.000 2.662 1018 F HA 0.395 4.955 4.527 0.056 0.000 0.365 1018 F C 0.928 176.706 175.800 -0.036 0.000 1.222 1018 F CA -0.313 57.672 58.000 -0.026 0.000 1.315 1018 F CB -0.687 38.282 39.000 -0.051 0.000 1.711 1018 F HN 0.586 nan 8.300 nan 0.000 0.651 1019 S N 1.953 117.547 115.700 -0.177 0.000 2.558 1019 S HA 0.033 4.536 4.470 0.056 0.000 0.297 1019 S C 0.360 174.730 174.600 -0.384 0.000 1.283 1019 S CA -0.513 57.560 58.200 -0.212 0.000 1.044 1019 S CB 0.238 63.362 63.200 -0.127 0.000 0.789 1019 S HN 0.269 nan 8.310 nan 0.000 0.500 1020 V N 6.238 126.013 119.914 -0.232 0.000 2.872 1020 V HA 0.104 4.258 4.120 0.056 0.000 0.307 1020 V C 1.215 177.222 176.094 -0.145 0.000 1.072 1020 V CA 0.696 62.873 62.300 -0.204 0.000 1.148 1020 V CB 0.475 32.257 31.823 -0.069 0.000 0.954 1020 V HN 1.144 nan 8.190 nan 0.000 0.490 1021 Q N -0.242 119.474 119.800 -0.140 0.000 2.559 1021 Q HA -0.246 4.127 4.340 0.056 0.000 0.151 1021 Q C 0.653 176.589 176.000 -0.106 0.000 0.725 1021 Q CA 1.762 57.531 55.803 -0.058 0.000 1.230 1021 Q CB -0.972 27.811 28.738 0.076 0.000 1.099 1021 Q HN 0.904 nan 8.270 nan 0.000 1.047 1022 E N 2.019 122.078 120.200 -0.235 0.000 2.406 1022 E HA -0.032 4.351 4.350 0.056 0.000 0.258 1022 E C 0.117 176.646 176.600 -0.119 0.000 1.043 1022 E CA 0.241 56.522 56.400 -0.198 0.000 0.929 1022 E CB 0.417 29.940 29.700 -0.295 0.000 0.969 1022 E HN 0.226 nan 8.360 nan 0.000 0.462 1023 E N 5.571 125.769 120.200 -0.003 0.000 2.311 1023 E HA 0.042 4.425 4.350 0.056 0.000 0.198 1023 E C 0.055 176.726 176.600 0.120 0.000 1.115 1023 E CA -0.322 56.110 56.400 0.054 0.000 1.140 1023 E CB 0.015 29.687 29.700 -0.048 0.000 1.204 1023 E HN 0.627 nan 8.360 nan 0.000 0.446 1024 L N 2.962 124.344 121.223 0.264 0.000 2.806 1024 L HA -0.129 4.244 4.340 0.056 0.000 0.282 1024 L C -0.458 176.494 176.870 0.136 0.000 1.166 1024 L CA 0.424 55.447 54.840 0.304 0.000 0.969 1024 L CB 0.056 42.417 42.059 0.505 0.000 1.304 1024 L HN 0.228 nan 8.230 nan 0.000 0.474 1025 D N 4.523 124.972 120.400 0.081 0.000 2.490 1025 D HA 0.702 5.376 4.640 0.056 0.000 0.232 1025 D C -0.680 175.655 176.300 0.059 0.000 1.053 1025 D CA -0.471 53.442 54.000 -0.145 0.000 0.914 1025 D CB 1.674 42.404 40.800 -0.117 0.000 1.431 1025 D HN 0.289 nan 8.370 nan 0.000 0.483 1026 F N -2.519 117.559 119.950 0.214 0.000 2.773 1026 F HA 0.687 5.247 4.527 0.056 0.000 0.314 1026 F C -0.821 175.078 175.800 0.165 0.000 1.160 1026 F CA -1.021 57.109 58.000 0.217 0.000 0.920 1026 F CB 1.527 40.700 39.000 0.289 0.000 1.323 1026 F HN 0.456 nan 8.300 nan 0.000 0.457 1027 T N 0.995 115.775 114.554 0.377 0.000 2.901 1027 T HA 0.839 5.222 4.350 0.056 0.000 0.293 1027 T C -1.875 172.875 174.700 0.084 0.000 1.084 1027 T CA -0.685 61.539 62.100 0.207 0.000 1.008 1027 T CB 1.551 70.499 68.868 0.135 0.000 1.170 1027 T HN 1.146 nan 8.240 nan 0.000 0.509 1028 L N 1.274 122.501 121.223 0.007 0.000 2.408 1028 L HA 0.931 5.304 4.340 0.056 0.000 0.268 1028 L C -0.837 176.035 176.870 0.002 0.000 0.986 1028 L CA -0.872 53.894 54.840 -0.123 0.000 0.820 1028 L CB 1.713 43.548 42.059 -0.373 0.000 1.303 1028 L HN 0.818 nan 8.230 nan 0.000 0.411 1029 K N 0.778 121.141 120.400 -0.063 0.000 2.512 1029 K HA 1.013 5.367 4.320 0.056 0.000 0.263 1029 K C -0.825 175.699 176.600 -0.127 0.000 0.966 1029 K CA -0.812 55.493 56.287 0.031 0.000 0.851 1029 K CB 2.413 34.937 32.500 0.040 0.000 1.395 1029 K HN 1.047 nan 8.250 nan 0.000 0.440 1030 G N 1.000 109.793 108.800 -0.012 0.000 2.716 1030 G HA2 0.201 4.194 3.960 0.056 0.000 0.299 1030 G HA3 0.201 4.194 3.960 0.056 0.000 0.299 1030 G C -1.692 173.330 174.900 0.204 0.000 1.450 1030 G CA -1.034 44.004 45.100 -0.105 0.000 0.968 1030 G HN 0.486 nan 8.290 nan 0.000 0.566 1031 N N 0.337 119.114 118.700 0.127 0.000 2.365 1031 N HA 0.030 4.804 4.740 0.056 0.000 0.265 1031 N C -0.079 175.612 175.510 0.301 0.000 1.288 1031 N CA 0.143 53.301 53.050 0.180 0.000 0.869 1031 N CB 1.187 39.747 38.487 0.121 0.000 1.071 1031 N HN 0.516 nan 8.380 nan 0.000 0.480 1032 L N 1.851 123.251 121.223 0.296 0.000 2.255 1032 L HA 0.233 4.606 4.340 0.056 0.000 0.289 1032 L C 0.438 177.354 176.870 0.076 0.000 1.046 1032 L CA -0.330 54.674 54.840 0.274 0.000 0.816 1032 L CB 0.667 42.783 42.059 0.094 0.000 1.197 1032 L HN 0.410 nan 8.230 nan 0.000 0.427 1033 S N 3.223 119.054 115.700 0.219 0.000 2.576 1033 S HA 0.218 4.721 4.470 0.056 0.000 0.276 1033 S C 0.636 175.276 174.600 0.066 0.000 1.339 1033 S CA -0.089 58.250 58.200 0.232 0.000 1.039 1033 S CB 0.432 63.819 63.200 0.310 0.000 0.902 1033 S HN 0.556 nan 8.310 nan 0.000 0.516 1034 F N 2.306 122.314 119.950 0.096 0.000 2.695 1034 F HA 0.284 4.844 4.527 0.056 0.000 0.303 1034 F C 2.221 177.925 175.800 -0.160 0.000 1.091 1034 F CA 0.052 58.009 58.000 -0.071 0.000 1.300 1034 F CB -0.251 38.726 39.000 -0.038 0.000 1.071 1034 F HN 0.758 nan 8.300 nan 0.000 0.578 1035 G N 1.399 110.282 108.800 0.138 0.000 2.421 1035 G HA2 -0.269 3.725 3.960 0.056 0.000 0.216 1035 G HA3 -0.269 3.725 3.960 0.056 0.000 0.216 1035 G C 1.479 176.411 174.900 0.053 0.000 1.171 1035 G CA 0.751 45.915 45.100 0.106 0.000 0.775 1035 G HN 0.619 nan 8.290 nan 0.000 0.543 1036 W N 1.245 122.587 121.300 0.070 0.000 2.538 1036 W HA 0.047 4.740 4.660 0.056 0.000 0.254 1036 W C 1.289 177.832 176.519 0.040 0.000 1.249 1036 W CA 0.693 58.062 57.345 0.040 0.000 1.253 1036 W CB -0.941 28.530 29.460 0.019 0.000 1.130 1036 W HN 0.090 nan 8.180 nan 0.000 0.618 1037 V N 2.029 121.445 119.914 -0.830 0.000 2.469 1037 V HA -0.291 3.862 4.120 0.056 0.000 0.251 1037 V C 2.862 178.785 176.094 -0.286 0.000 1.064 1037 V CA 2.497 64.273 62.300 -0.872 0.000 1.066 1037 V CB -1.042 30.386 31.823 -0.659 0.000 0.667 1037 V HN 0.239 nan 8.190 nan 0.000 0.461 1038 R N -0.025 120.401 120.500 -0.124 0.000 2.161 1038 R HA -0.137 4.236 4.340 0.056 0.000 0.213 1038 R C 2.304 178.638 176.300 0.056 0.000 1.055 1038 R CA 0.981 57.069 56.100 -0.019 0.000 0.996 1038 R CB -0.119 30.180 30.300 -0.002 0.000 0.901 1038 R HN 0.492 nan 8.270 nan 0.000 0.456 1039 Q N 1.255 121.117 119.800 0.104 0.000 2.248 1039 Q HA -0.168 4.206 4.340 0.056 0.000 0.208 1039 Q C 1.534 177.659 176.000 0.210 0.000 0.984 1039 Q CA 2.035 57.938 55.803 0.166 0.000 0.875 1039 Q CB -0.120 28.742 28.738 0.207 0.000 0.910 1039 Q HN 0.620 nan 8.270 nan 0.000 0.433 1040 I N -4.541 116.152 120.570 0.205 0.000 4.057 1040 I HA 0.258 4.462 4.170 0.056 0.000 0.334 1040 I C 0.113 176.330 176.117 0.168 0.000 1.308 1040 I CA -0.353 61.095 61.300 0.247 0.000 1.125 1040 I CB 0.517 38.690 38.000 0.287 0.000 1.034 1040 I HN 0.041 nan 8.210 nan 0.000 0.401 1041 L N 1.129 122.418 121.223 0.111 0.000 3.533 1041 L HA -0.220 4.153 4.340 0.056 0.000 0.477 1041 L C -0.516 176.401 176.870 0.078 0.000 1.306 1041 L CA 1.169 56.058 54.840 0.082 0.000 0.850 1041 L CB -1.512 40.596 42.059 0.083 0.000 1.654 1041 L HN 0.749 nan 8.230 nan 0.000 0.863 1042 Q N -0.158 119.683 119.800 0.069 0.000 2.737 1042 Q HA 0.639 5.013 4.340 0.056 0.000 0.307 1042 Q C -1.038 174.990 176.000 0.047 0.000 0.905 1042 Q CA -1.201 54.642 55.803 0.066 0.000 0.753 1042 Q CB 1.958 30.740 28.738 0.073 0.000 1.463 1042 Q HN 0.094 nan 8.270 nan 0.000 0.455 1043 K N 0.756 121.185 120.400 0.048 0.000 2.444 1043 K HA 0.375 4.729 4.320 0.056 0.000 0.252 1043 K C -0.747 175.848 176.600 -0.008 0.000 0.993 1043 K CA -0.780 55.525 56.287 0.030 0.000 0.847 1043 K CB 1.534 34.093 32.500 0.097 0.000 1.340 1043 K HN 0.683 nan 8.250 nan 0.000 0.446 1044 K N 0.124 120.496 120.400 -0.046 0.000 3.230 1044 K HA -0.159 4.195 4.320 0.056 0.000 0.285 1044 K C -0.199 176.380 176.600 -0.036 0.000 1.196 1044 K CA 0.234 56.480 56.287 -0.069 0.000 0.838 1044 K CB -0.873 31.589 32.500 -0.064 0.000 1.262 1044 K HN 0.414 nan 8.250 nan 0.000 0.492 1045 V N 1.321 121.225 119.914 -0.017 0.000 3.237 1045 V HA 0.368 4.522 4.120 0.056 0.000 0.305 1045 V C 0.066 176.188 176.094 0.046 0.000 1.096 1045 V CA 0.880 63.211 62.300 0.051 0.000 1.130 1045 V CB 1.506 33.401 31.823 0.121 0.000 1.048 1045 V HN 0.488 nan 8.190 nan 0.000 0.484 1046 S N 4.188 119.943 115.700 0.093 0.000 2.668 1046 S HA 0.526 5.030 4.470 0.056 0.000 0.277 1046 S C -0.986 173.666 174.600 0.087 0.000 1.170 1046 S CA -0.610 57.632 58.200 0.070 0.000 0.994 1046 S CB 1.163 64.389 63.200 0.043 0.000 1.051 1046 S HN 1.035 nan 8.310 nan 0.000 0.484 1047 V N 3.785 123.741 119.914 0.071 0.000 2.509 1047 V HA 0.741 4.894 4.120 0.056 0.000 0.284 1047 V C -0.631 175.466 176.094 0.006 0.000 1.047 1047 V CA -0.239 62.060 62.300 -0.002 0.000 0.952 1047 V CB 1.427 33.184 31.823 -0.109 0.000 0.988 1047 V HN 0.901 nan 8.190 nan 0.000 0.469 1048 V N 5.835 125.747 119.914 -0.003 0.000 2.715 1048 V HA 0.667 4.820 4.120 0.056 0.000 0.310 1048 V C -0.102 175.998 176.094 0.010 0.000 1.054 1048 V CA -0.278 62.032 62.300 0.018 0.000 0.928 1048 V CB 2.411 34.252 31.823 0.031 0.000 1.007 1048 V HN 1.037 nan 8.190 nan 0.000 0.437 1049 S N 3.039 118.737 115.700 -0.005 0.000 2.473 1049 S HA 0.797 5.300 4.470 0.056 0.000 0.307 1049 S C -0.969 173.756 174.600 0.208 0.000 1.094 1049 S CA -0.648 57.600 58.200 0.080 0.000 1.070 1049 S CB 1.672 64.827 63.200 -0.074 0.000 1.019 1049 S HN 0.426 nan 8.310 nan 0.000 0.480 1050 V N 2.235 122.313 119.914 0.274 0.000 2.472 1050 V HA 0.828 4.981 4.120 0.056 0.000 0.290 1050 V C 0.242 176.536 176.094 0.334 0.000 1.037 1050 V CA -0.514 61.944 62.300 0.262 0.000 0.908 1050 V CB 1.248 33.175 31.823 0.174 0.000 0.985 1050 V HN 1.200 nan 8.190 nan 0.000 0.454 1051 A N 4.599 127.448 122.820 0.048 0.000 2.332 1051 A HA 0.790 5.144 4.320 0.056 0.000 0.300 1051 A C -0.417 177.037 177.584 -0.216 0.000 1.153 1051 A CA -0.622 51.280 52.037 -0.224 0.000 0.764 1051 A CB 0.854 19.344 19.000 -0.850 0.000 1.174 1051 A HN 0.947 nan 8.150 nan 0.000 0.467 1052 E N 2.977 123.073 120.200 -0.173 0.000 2.224 1052 E HA 0.628 5.012 4.350 0.056 0.000 0.265 1052 E C -1.178 175.314 176.600 -0.180 0.000 0.878 1052 E CA -0.631 55.709 56.400 -0.099 0.000 0.759 1052 E CB 1.950 31.684 29.700 0.057 0.000 1.164 1052 E HN 0.588 nan 8.360 nan 0.000 0.414 1053 I N 2.967 123.452 120.570 -0.142 0.000 2.499 1053 I HA 0.370 4.574 4.170 0.056 0.000 0.296 1053 I C -0.465 175.629 176.117 -0.038 0.000 0.992 1053 I CA -0.017 61.216 61.300 -0.112 0.000 1.297 1053 I CB 1.308 39.261 38.000 -0.079 0.000 1.410 1053 I HN 0.885 nan 8.210 nan 0.000 0.507 1054 T N 3.480 118.021 114.554 -0.022 0.000 2.865 1054 T HA 0.755 5.138 4.350 0.056 0.000 0.294 1054 T C -0.807 173.947 174.700 0.090 0.000 1.119 1054 T CA -0.658 61.363 62.100 -0.133 0.000 1.007 1054 T CB 1.798 70.579 68.868 -0.145 0.000 1.225 1054 T HN 0.551 nan 8.240 nan 0.000 0.515 1055 F N -1.490 118.456 119.950 -0.008 0.000 2.713 1055 F HA 0.595 5.156 4.527 0.056 0.000 0.311 1055 F C -0.847 174.998 175.800 0.075 0.000 1.141 1055 F CA -1.462 56.554 58.000 0.028 0.000 0.939 1055 F CB 0.364 39.379 39.000 0.024 0.000 1.325 1055 F HN 0.563 nan 8.300 nan 0.000 0.453 1056 D N 1.651 122.225 120.400 0.290 0.000 2.455 1056 D HA 0.010 4.684 4.640 0.056 0.000 0.265 1056 D C 1.472 177.883 176.300 0.186 0.000 1.284 1056 D CA 1.045 55.160 54.000 0.191 0.000 0.944 1056 D CB 1.048 41.975 40.800 0.212 0.000 1.121 1056 D HN 0.785 nan 8.370 nan 0.000 0.525 1057 T N 1.900 116.481 114.554 0.046 0.000 2.760 1057 T HA -0.200 4.183 4.350 0.056 0.000 0.269 1057 T C 0.936 175.686 174.700 0.084 0.000 1.047 1057 T CA 1.559 63.674 62.100 0.026 0.000 1.139 1057 T CB -0.057 68.796 68.868 -0.026 0.000 0.855 1057 T HN 0.314 nan 8.240 nan 0.000 0.471 1058 S N -1.192 114.552 115.700 0.073 0.000 2.610 1058 S HA 0.478 4.982 4.470 0.056 0.000 0.273 1058 S C 1.076 175.697 174.600 0.035 0.000 1.274 1058 S CA -0.214 58.014 58.200 0.047 0.000 1.023 1058 S CB 1.055 64.269 63.200 0.024 0.000 0.962 1058 S HN 0.613 nan 8.310 nan 0.000 0.523 1059 V N 2.379 122.281 119.914 -0.020 0.000 0.434 1059 V HA -0.269 3.884 4.120 0.056 0.000 0.092 1059 V C -0.180 175.816 176.094 -0.165 0.000 2.581 1059 V CA 2.030 64.241 62.300 -0.149 0.000 3.733 1059 V CB -2.367 29.243 31.823 -0.355 0.000 1.002 1059 V HN 0.878 nan 8.190 nan 0.000 1.053 1060 Y N 0.596 121.033 120.300 0.229 0.000 2.621 1060 Y HA 0.825 5.409 4.550 0.056 0.000 0.334 1060 Y C 0.334 176.406 175.900 0.288 0.000 1.074 1060 Y CA -0.348 57.907 58.100 0.258 0.000 1.149 1060 Y CB 2.040 40.648 38.460 0.246 0.000 1.302 1060 Y HN 0.632 nan 8.280 nan 0.000 0.501 1061 S N -0.353 115.652 115.700 0.509 0.000 2.712 1061 S HA 0.247 4.750 4.470 0.056 0.000 0.279 1061 S C -1.740 173.063 174.600 0.338 0.000 1.025 1061 S CA -1.283 57.178 58.200 0.434 0.000 0.861 1061 S CB 1.223 64.561 63.200 0.229 0.000 1.091 1061 S HN 0.658 nan 8.310 nan 0.000 0.457 1062 Q N 0.029 120.011 119.800 0.304 0.000 2.260 1062 Q HA 0.563 4.937 4.340 0.056 0.000 0.242 1062 Q C 0.987 177.057 176.000 0.116 0.000 0.932 1062 Q CA -0.609 55.305 55.803 0.185 0.000 0.891 1062 Q CB 1.059 29.893 28.738 0.160 0.000 1.222 1062 Q HN 0.724 nan 8.270 nan 0.000 0.453 1063 L N 2.169 123.456 121.223 0.106 0.000 2.130 1063 L HA 0.280 4.653 4.340 0.056 0.000 0.200 1063 L C -0.990 175.913 176.870 0.056 0.000 1.075 1063 L CA 0.426 55.322 54.840 0.094 0.000 0.768 1063 L CB -1.665 40.467 42.059 0.122 0.000 0.933 1063 L HN 0.546 nan 8.230 nan 0.000 0.451 1064 P HA 0.192 nan 4.420 nan 0.000 0.247 1064 P C 0.860 178.159 177.300 -0.001 0.000 1.225 1064 P CA 1.274 64.386 63.100 0.019 0.000 0.768 1064 P CB 0.275 31.980 31.700 0.007 0.000 1.020 1065 G N 0.102 108.904 108.800 0.003 0.000 2.780 1065 G HA2 -0.139 3.854 3.960 0.056 0.000 0.237 1065 G HA3 -0.139 3.854 3.960 0.056 0.000 0.237 1065 G C -0.920 173.976 174.900 -0.007 0.000 1.965 1065 G CA -0.477 44.621 45.100 -0.004 0.000 1.577 1065 G HN 0.401 nan 8.290 nan 0.000 0.543 1066 Q N 0.775 120.560 119.800 -0.025 0.000 2.444 1066 Q HA 0.468 4.842 4.340 0.056 0.000 0.239 1066 Q C -1.821 174.140 176.000 -0.064 0.000 0.853 1066 Q CA -0.286 55.500 55.803 -0.029 0.000 0.856 1066 Q CB 2.312 31.041 28.738 -0.015 0.000 1.413 1066 Q HN 0.544 nan 8.270 nan 0.000 0.437 1067 E N 1.257 121.396 120.200 -0.102 0.000 2.113 1067 E HA 0.423 4.807 4.350 0.056 0.000 0.273 1067 E C -0.094 176.483 176.600 -0.038 0.000 0.924 1067 E CA -0.429 55.855 56.400 -0.193 0.000 0.764 1067 E CB 1.434 30.854 29.700 -0.466 0.000 1.104 1067 E HN 0.697 nan 8.360 nan 0.000 0.406 1068 A N 3.854 126.724 122.820 0.084 0.000 2.291 1068 A HA 0.029 4.383 4.320 0.056 0.000 0.220 1068 A C 0.638 178.381 177.584 0.264 0.000 1.262 1068 A CA -0.022 52.097 52.037 0.138 0.000 0.867 1068 A CB -0.388 18.679 19.000 0.111 0.000 0.888 1068 A HN 0.517 nan 8.150 nan 0.000 0.487 1069 F N 0.308 120.232 119.950 -0.044 0.000 2.583 1069 F HA -0.062 4.498 4.527 0.056 0.000 0.297 1069 F C 1.855 177.626 175.800 -0.049 0.000 1.131 1069 F CA 0.518 58.489 58.000 -0.049 0.000 1.467 1069 F CB -0.570 38.370 39.000 -0.098 0.000 1.097 1069 F HN 0.429 nan 8.300 nan 0.000 0.586 1070 M N -0.538 119.144 119.600 0.138 0.000 2.853 1070 M HA 0.330 4.843 4.480 0.056 0.000 0.274 1070 M C 0.149 176.459 176.300 0.017 0.000 1.289 1070 M CA 0.295 55.633 55.300 0.063 0.000 1.031 1070 M CB 0.212 32.867 32.600 0.092 0.000 1.352 1070 M HN -0.019 nan 8.290 nan 0.000 0.485 1071 R N 1.194 121.706 120.500 0.020 0.000 3.107 1071 R HA 0.587 4.961 4.340 0.056 0.000 0.224 1071 R C -1.293 175.013 176.300 0.009 0.000 1.734 1071 R CA -0.017 56.083 56.100 0.000 0.000 1.303 1071 R CB 0.682 30.991 30.300 0.015 0.000 1.570 1071 R HN 0.445 nan 8.270 nan 0.000 0.606 1072 A N 1.654 124.473 122.820 -0.003 0.000 2.250 1072 A HA 0.563 4.917 4.320 0.056 0.000 0.283 1072 A C -0.528 177.141 177.584 0.141 0.000 1.206 1072 A CA -0.235 51.851 52.037 0.082 0.000 0.840 1072 A CB 0.947 20.068 19.000 0.202 0.000 1.220 1072 A HN 0.648 nan 8.150 nan 0.000 0.505 1073 Q N -1.735 118.212 119.800 0.245 0.000 2.426 1073 Q HA 0.520 4.893 4.340 0.056 0.000 0.278 1073 Q C -1.937 174.151 176.000 0.145 0.000 1.007 1073 Q CA -0.450 55.480 55.803 0.211 0.000 0.850 1073 Q CB 2.129 30.916 28.738 0.081 0.000 1.427 1073 Q HN 0.687 nan 8.270 nan 0.000 0.391 1074 T N 1.824 116.446 114.554 0.114 0.000 3.011 1074 T HA 0.318 4.702 4.350 0.056 0.000 0.303 1074 T C -1.181 173.496 174.700 -0.039 0.000 0.997 1074 T CA -0.457 61.579 62.100 -0.107 0.000 1.007 1074 T CB 1.565 70.474 68.868 0.068 0.000 1.017 1074 T HN 0.454 nan 8.240 nan 0.000 0.443 1075 T N 3.093 117.530 114.554 -0.195 0.000 2.821 1075 T HA 0.479 4.862 4.350 0.056 0.000 0.307 1075 T C 0.021 174.883 174.700 0.270 0.000 1.034 1075 T CA -0.233 61.888 62.100 0.035 0.000 0.953 1075 T CB 0.209 69.084 68.868 0.011 0.000 0.968 1075 T HN 0.515 nan 8.240 nan 0.000 0.462 1076 T N 4.016 118.788 114.554 0.364 0.000 2.918 1076 T HA 0.597 4.980 4.350 0.056 0.000 0.283 1076 T C -0.299 174.450 174.700 0.080 0.000 1.001 1076 T CA -0.502 61.791 62.100 0.321 0.000 1.041 1076 T CB 1.226 70.221 68.868 0.211 0.000 1.028 1076 T HN 0.495 nan 8.240 nan 0.000 0.511 1077 V N 2.862 122.728 119.914 -0.080 0.000 2.680 1077 V HA 0.433 4.586 4.120 0.056 0.000 0.309 1077 V C -0.466 175.365 176.094 -0.439 0.000 1.052 1077 V CA -0.737 61.453 62.300 -0.184 0.000 0.908 1077 V CB 1.776 33.498 31.823 -0.167 0.000 1.001 1077 V HN 0.628 nan 8.190 nan 0.000 0.431 1078 L N 2.916 123.949 121.223 -0.316 0.000 3.141 1078 L HA 0.351 4.724 4.340 0.056 0.000 0.263 1078 L C 0.686 177.396 176.870 -0.266 0.000 1.312 1078 L CA 0.389 55.004 54.840 -0.375 0.000 1.012 1078 L CB 0.446 42.369 42.059 -0.226 0.000 1.408 1078 L HN 0.753 nan 8.230 nan 0.000 0.559 1079 E N 2.336 122.364 120.200 -0.286 0.000 2.159 1079 E HA 0.090 4.474 4.350 0.056 0.000 0.272 1079 E C -0.614 175.853 176.600 -0.221 0.000 1.138 1079 E CA 0.158 56.422 56.400 -0.226 0.000 0.915 1079 E CB 0.289 29.831 29.700 -0.263 0.000 1.028 1079 E HN 0.128 nan 8.360 nan 0.000 0.423 1080 K N 4.905 125.252 120.400 -0.090 0.000 2.668 1080 K HA 0.149 4.503 4.320 0.056 0.000 0.246 1080 K C -1.446 175.224 176.600 0.117 0.000 0.976 1080 K CA -0.716 55.565 56.287 -0.010 0.000 0.902 1080 K CB 1.174 33.700 32.500 0.043 0.000 1.172 1080 K HN 0.443 nan 8.250 nan 0.000 0.452 1081 Y N 0.000 120.325 120.300 0.042 0.000 2.660 1081 Y HA 0.000 4.583 4.550 0.056 0.000 0.201 1081 Y CA 0.000 58.160 58.100 0.101 0.000 1.940 1081 Y CB 0.000 38.599 38.460 0.231 0.000 1.050 1081 Y HN 0.000 nan 8.280 nan 0.000 0.758