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 3ge8_1_D DATA FIRST_RESID 2 DATA SEQUENCE AMHPRKDWYE LTRATNWTPS YVTEEQLFPE RMSGHMGIPL EKWESYDEPY DATA SEQUENCE KTSYPEYVSI QREKDAGAYS VKAALERAKI YENSDPGWIS TLKSHYGAIA DATA SEQUENCE VGEYAAVTGE GRMARFSKAP GNRNMATFGM MDELRHGQLQ LFFPHEYCKK DATA SEQUENCE DRQFDWAWRA YHSNEWAAIA AKHFFDDIIT GRDAISVAIM LTFSFETGFA DATA SEQUENCE NMQFLGLAAD AAEAGDYTFA NLISSIQTDE SRHAQQGGPA LQLLIENGKR DATA SEQUENCE EEAQKKVDMA IWRAWRLFAV LTGPVMDYYT PLEDRSQSFK EFMYEWIIGQ DATA SEQUENCE FERSLIDLGL DKPWYWDLFL KDIDELHHSY HMGVWYWRTT AWWNPAAGVT DATA SEQUENCE PEERDWLEEK YPGWNKRWGR CWDVITENVL NDRMDLVSPE TLPSVCNMSQ DATA SEQUENCE IPLVGVPGDD WNIEVFSLEH NGRLYHFGSE VDRWVFQQDP VQYQNHMNIV DATA SEQUENCE DRFLAGQIQP MTLEGALKYM GFQSIEEMGK DAHDFAWADK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.443 177.584 -0.235 0.000 1.274 2 A CA 0.000 51.974 52.037 -0.106 0.000 0.836 2 A CB 0.000 18.957 19.000 -0.072 0.000 0.831 3 M N 2.159 121.623 119.600 -0.227 0.000 2.508 3 M HA 0.440 4.921 4.480 0.001 0.000 0.327 3 M C -0.729 175.395 176.300 -0.293 0.000 1.160 3 M CA -0.279 54.858 55.300 -0.272 0.000 0.980 3 M CB 1.316 33.879 32.600 -0.060 0.000 1.693 3 M HN 0.757 nan 8.290 nan 0.000 0.452 4 H N 2.051 121.224 119.070 0.172 0.000 2.467 4 H HA 0.438 4.994 4.556 0.001 0.000 0.331 4 H C -2.138 173.418 175.328 0.380 0.000 1.120 4 H CA -1.544 54.650 56.048 0.244 0.000 1.270 4 H CB 0.342 30.265 29.762 0.269 0.000 1.466 4 H HN 0.308 nan 8.280 nan 0.000 0.504 5 P HA 0.078 nan 4.420 nan 0.000 0.271 5 P C 1.008 178.320 177.300 0.020 0.000 1.218 5 P CA -0.339 62.878 63.100 0.194 0.000 0.780 5 P CB 1.536 33.288 31.700 0.088 0.000 0.901 6 R N 3.046 123.445 120.500 -0.168 0.000 2.119 6 R HA -0.222 4.118 4.340 0.001 0.000 0.246 6 R C 2.110 177.921 176.300 -0.814 0.000 1.146 6 R CA 2.560 58.125 56.100 -0.892 0.000 0.962 6 R CB -0.323 29.676 30.300 -0.501 0.000 0.863 6 R HN 0.541 nan 8.270 nan 0.000 0.442 7 K N -0.597 119.582 120.400 -0.368 0.000 2.211 7 K HA -0.146 4.175 4.320 0.001 0.000 0.204 7 K C 1.031 177.531 176.600 -0.166 0.000 1.047 7 K CA 1.956 58.106 56.287 -0.228 0.000 0.935 7 K CB -0.028 32.395 32.500 -0.128 0.000 0.728 7 K HN 0.156 nan 8.250 nan 0.000 0.452 8 D N 0.278 120.582 120.400 -0.159 0.000 2.234 8 D HA -0.073 4.568 4.640 0.001 0.000 0.205 8 D C 1.275 177.626 176.300 0.085 0.000 0.962 8 D CA 0.894 54.895 54.000 0.002 0.000 0.855 8 D CB -0.010 40.859 40.800 0.114 0.000 0.951 8 D HN 0.643 nan 8.370 nan 0.000 0.500 9 W N -1.051 120.327 121.300 0.130 0.000 2.870 9 W HA 0.217 4.878 4.660 0.001 0.000 0.358 9 W C 1.209 177.805 176.519 0.129 0.000 1.043 9 W CA -0.544 56.866 57.345 0.109 0.000 1.692 9 W CB -1.057 28.464 29.460 0.101 0.000 1.100 9 W HN -0.132 nan 8.180 nan 0.000 0.557 10 Y N 3.025 123.183 120.300 -0.237 0.000 2.165 10 Y HA -0.227 4.323 4.550 0.001 0.000 0.286 10 Y C 2.464 178.409 175.900 0.075 0.000 1.155 10 Y CA 2.460 60.483 58.100 -0.128 0.000 1.164 10 Y CB -0.214 38.081 38.460 -0.275 0.000 0.978 10 Y HN -0.228 nan 8.280 nan 0.000 0.513 11 E N 0.281 120.552 120.200 0.119 0.000 2.118 11 E HA -0.214 4.136 4.350 0.001 0.000 0.195 11 E C 2.277 178.902 176.600 0.043 0.000 0.992 11 E CA 1.382 57.834 56.400 0.087 0.000 0.804 11 E CB -0.525 29.237 29.700 0.103 0.000 0.741 11 E HN 0.550 nan 8.360 nan 0.000 0.458 12 L N 0.919 122.192 121.223 0.084 0.000 2.201 12 L HA -0.129 4.212 4.340 0.001 0.000 0.212 12 L C 2.548 179.443 176.870 0.041 0.000 1.105 12 L CA 1.539 56.427 54.840 0.079 0.000 0.775 12 L CB -0.748 41.382 42.059 0.120 0.000 0.913 12 L HN 0.218 nan 8.230 nan 0.000 0.440 13 T N -2.041 112.511 114.554 -0.004 0.000 2.995 13 T HA -0.173 4.178 4.350 0.001 0.000 0.269 13 T C 1.637 176.290 174.700 -0.079 0.000 1.091 13 T CA 0.660 62.737 62.100 -0.039 0.000 1.128 13 T CB -0.227 68.583 68.868 -0.097 0.000 0.891 13 T HN 0.511 nan 8.240 nan 0.000 0.492 14 R N 0.882 121.320 120.500 -0.104 0.000 2.546 14 R HA 0.634 4.974 4.340 0.001 0.000 0.320 14 R C 0.495 176.816 176.300 0.034 0.000 1.021 14 R CA -0.187 55.895 56.100 -0.030 0.000 1.088 14 R CB 0.134 30.426 30.300 -0.013 0.000 1.278 14 R HN 0.251 nan 8.270 nan 0.000 0.557 15 A N 1.558 124.402 122.820 0.040 0.000 3.004 15 A HA 0.217 4.538 4.320 0.001 0.000 0.286 15 A C 0.661 178.298 177.584 0.087 0.000 1.632 15 A CA -0.241 51.837 52.037 0.069 0.000 1.339 15 A CB -0.138 18.901 19.000 0.065 0.000 1.136 15 A HN 0.471 nan 8.150 nan 0.000 0.577 16 T N -2.615 112.008 114.554 0.115 0.000 3.087 16 T HA 0.171 4.521 4.350 0.001 0.000 0.283 16 T C 0.178 175.058 174.700 0.300 0.000 0.956 16 T CA -0.424 61.780 62.100 0.173 0.000 0.894 16 T CB -0.293 68.655 68.868 0.133 0.000 1.160 16 T HN 0.308 nan 8.240 nan 0.000 0.532 17 N N 2.493 121.319 118.700 0.211 0.000 2.525 17 N HA 0.564 5.304 4.740 0.001 0.000 0.271 17 N C -0.658 175.047 175.510 0.325 0.000 1.194 17 N CA -0.427 52.734 53.050 0.186 0.000 0.964 17 N CB 0.653 39.164 38.487 0.040 0.000 1.126 17 N HN 0.746 nan 8.380 nan 0.000 0.452 18 W N -0.621 120.722 121.300 0.071 0.000 3.047 18 W HA 0.509 5.170 4.660 0.001 0.000 0.341 18 W C -1.120 175.439 176.519 0.067 0.000 1.225 18 W CA -0.878 56.502 57.345 0.057 0.000 1.150 18 W CB 0.227 29.716 29.460 0.049 0.000 1.470 18 W HN 0.109 nan 8.180 nan 0.000 0.578 19 T N 4.431 119.045 114.554 0.099 0.000 2.747 19 T HA 0.270 4.621 4.350 0.001 0.000 0.301 19 T C -2.046 172.663 174.700 0.014 0.000 0.952 19 T CA -0.795 61.292 62.100 -0.021 0.000 0.983 19 T CB 0.208 69.104 68.868 0.046 0.000 0.930 19 T HN 0.157 nan 8.240 nan 0.000 0.494 20 P HA 0.344 nan 4.420 nan 0.000 0.274 20 P C -0.059 177.250 177.300 0.015 0.000 1.237 20 P CA -0.413 62.710 63.100 0.039 0.000 0.793 20 P CB 1.198 32.860 31.700 -0.063 0.000 0.977 21 S N -0.305 115.376 115.700 -0.031 0.000 2.882 21 S HA 0.084 4.555 4.470 0.001 0.000 0.258 21 S C 1.378 175.760 174.600 -0.364 0.000 1.081 21 S CA 0.162 58.194 58.200 -0.281 0.000 0.886 21 S CB -0.464 62.401 63.200 -0.560 0.000 0.855 21 S HN 0.407 nan 8.310 nan 0.000 0.467 22 Y N 2.521 122.868 120.300 0.078 0.000 2.519 22 Y HA 0.317 4.868 4.550 0.001 0.000 0.287 22 Y C 1.025 176.948 175.900 0.039 0.000 1.128 22 Y CA -0.130 58.000 58.100 0.051 0.000 1.282 22 Y CB 0.141 38.630 38.460 0.048 0.000 1.027 22 Y HN 0.200 nan 8.280 nan 0.000 0.551 23 V N -3.518 116.475 119.914 0.131 0.000 3.160 23 V HA 0.707 4.828 4.120 0.001 0.000 0.310 23 V C -0.017 176.092 176.094 0.025 0.000 1.181 23 V CA -0.815 61.527 62.300 0.069 0.000 1.047 23 V CB 1.393 33.254 31.823 0.062 0.000 1.068 23 V HN 0.038 nan 8.190 nan 0.000 0.441 24 T N -2.026 112.534 114.554 0.009 0.000 2.816 24 T HA 0.364 4.714 4.350 0.001 0.000 0.282 24 T C 0.926 175.617 174.700 -0.015 0.000 0.993 24 T CA 0.656 62.752 62.100 -0.005 0.000 0.994 24 T CB 1.326 70.194 68.868 0.001 0.000 1.025 24 T HN 1.079 nan 8.240 nan 0.000 0.529 25 E N 0.083 120.273 120.200 -0.017 0.000 2.085 25 E HA -0.252 4.099 4.350 0.001 0.000 0.194 25 E C 1.873 178.503 176.600 0.050 0.000 0.994 25 E CA 1.574 57.976 56.400 0.004 0.000 0.801 25 E CB -0.105 29.580 29.700 -0.024 0.000 0.743 25 E HN 0.811 nan 8.360 nan 0.000 0.453 26 E N 0.349 120.569 120.200 0.033 0.000 2.208 26 E HA -0.161 4.190 4.350 0.001 0.000 0.193 26 E C 1.927 178.570 176.600 0.070 0.000 0.988 26 E CA 1.187 57.632 56.400 0.076 0.000 0.828 26 E CB 0.034 29.773 29.700 0.065 0.000 0.763 26 E HN 0.357 nan 8.360 nan 0.000 0.478 27 Q N -0.522 119.294 119.800 0.028 0.000 2.083 27 Q HA -0.084 4.256 4.340 0.001 0.000 0.198 27 Q C 2.052 178.036 176.000 -0.027 0.000 0.969 27 Q CA 1.246 57.056 55.803 0.010 0.000 0.838 27 Q CB -0.147 28.594 28.738 0.005 0.000 0.900 27 Q HN 0.280 nan 8.270 nan 0.000 0.436 28 L N -0.527 120.631 121.223 -0.109 0.000 2.046 28 L HA -0.090 4.251 4.340 0.001 0.000 0.208 28 L C 0.184 176.754 176.870 -0.500 0.000 1.077 28 L CA 1.680 56.305 54.840 -0.359 0.000 0.747 28 L CB 0.091 41.842 42.059 -0.514 0.000 0.896 28 L HN 0.062 nan 8.230 nan 0.000 0.432 29 F N 1.048 121.027 119.950 0.048 0.000 2.449 29 F HA 0.403 4.930 4.527 0.001 0.000 0.329 29 F C -2.128 173.764 175.800 0.152 0.000 1.245 29 F CA -2.848 55.228 58.000 0.126 0.000 1.193 29 F CB -0.202 38.806 39.000 0.014 0.000 1.425 29 F HN -0.028 nan 8.300 nan 0.000 0.544 30 P HA 0.007 nan 4.420 nan 0.000 0.268 30 P C 0.821 178.126 177.300 0.007 0.000 1.204 30 P CA 0.189 63.337 63.100 0.080 0.000 0.768 30 P CB 1.361 33.039 31.700 -0.037 0.000 0.842 31 E N 4.567 124.759 120.200 -0.014 0.000 2.118 31 E HA -0.239 4.111 4.350 0.001 0.000 0.195 31 E C 1.866 178.313 176.600 -0.254 0.000 0.992 31 E CA 1.641 57.867 56.400 -0.290 0.000 0.804 31 E CB -0.357 29.192 29.700 -0.251 0.000 0.741 31 E HN 0.435 nan 8.360 nan 0.000 0.458 32 R N -0.518 119.866 120.500 -0.194 0.000 2.237 32 R HA -0.042 4.298 4.340 0.001 0.000 0.219 32 R C 1.380 177.512 176.300 -0.280 0.000 1.080 32 R CA 1.338 57.316 56.100 -0.203 0.000 0.995 32 R CB -0.099 30.103 30.300 -0.163 0.000 0.875 32 R HN 0.229 nan 8.270 nan 0.000 0.462 33 M N -0.120 119.235 119.600 -0.409 0.000 2.571 33 M HA 0.153 4.634 4.480 0.001 0.000 0.259 33 M C 1.909 177.934 176.300 -0.458 0.000 1.205 33 M CA 0.693 55.600 55.300 -0.655 0.000 1.138 33 M CB 0.308 32.003 32.600 -1.508 0.000 1.329 33 M HN 0.203 nan 8.290 nan 0.000 0.503 34 S N -0.135 115.403 115.700 -0.270 0.000 2.427 34 S HA 0.211 4.682 4.470 0.001 0.000 0.224 34 S C 1.437 175.934 174.600 -0.171 0.000 1.047 34 S CA 1.199 59.356 58.200 -0.071 0.000 0.953 34 S CB -0.117 63.173 63.200 0.150 0.000 0.824 34 S HN 0.627 nan 8.310 nan 0.000 0.502 35 G N 1.540 110.168 108.800 -0.286 0.000 2.176 35 G HA2 -0.276 3.685 3.960 0.001 0.000 0.252 35 G HA3 -0.276 3.685 3.960 0.001 0.000 0.252 35 G C 0.197 174.994 174.900 -0.170 0.000 1.024 35 G CA 0.846 45.809 45.100 -0.229 0.000 0.755 35 G HN 0.902 nan 8.290 nan 0.000 0.507 36 H N -2.210 116.853 119.070 -0.011 0.000 2.559 36 H HA 0.434 4.990 4.556 0.001 0.000 0.273 36 H C 1.911 177.414 175.328 0.290 0.000 1.000 36 H CA 0.542 56.662 56.048 0.121 0.000 1.195 36 H CB -0.089 29.652 29.762 -0.034 0.000 1.368 36 H HN 0.583 nan 8.280 nan 0.000 0.592 37 M N 0.149 119.817 119.600 0.113 0.000 2.393 37 M HA -0.244 4.237 4.480 0.001 0.000 0.201 37 M C 1.319 177.783 176.300 0.273 0.000 0.403 37 M CA 0.904 56.296 55.300 0.153 0.000 0.471 37 M CB -1.601 31.088 32.600 0.149 0.000 1.669 37 M HN 0.868 nan 8.290 nan 0.000 0.864 38 G N -0.096 109.015 108.800 0.519 0.000 2.189 38 G HA2 -0.293 3.667 3.960 0.001 0.000 0.267 38 G HA3 -0.293 3.667 3.960 0.001 0.000 0.267 38 G C 0.100 175.135 174.900 0.224 0.000 0.975 38 G CA 0.373 45.673 45.100 0.332 0.000 0.644 38 G HN 0.652 nan 8.290 nan 0.000 0.537 39 I N 3.478 124.237 120.570 0.314 0.000 2.587 39 I HA 0.187 4.358 4.170 0.001 0.000 0.284 39 I C -1.207 175.062 176.117 0.254 0.000 1.134 39 I CA -1.646 59.778 61.300 0.206 0.000 1.410 39 I CB 0.593 38.670 38.000 0.129 0.000 1.392 39 I HN -0.005 nan 8.210 nan 0.000 0.545 40 P HA 0.074 nan 4.420 nan 0.000 0.274 40 P C 1.025 178.419 177.300 0.157 0.000 1.237 40 P CA -0.372 62.763 63.100 0.058 0.000 0.793 40 P CB 1.259 32.963 31.700 0.007 0.000 0.977 41 L N 0.603 121.869 121.223 0.072 0.000 2.010 41 L HA -0.273 4.068 4.340 0.001 0.000 0.219 41 L C 2.575 179.521 176.870 0.126 0.000 1.077 41 L CA 2.185 57.064 54.840 0.064 0.000 0.773 41 L CB -0.610 41.407 42.059 -0.069 0.000 0.892 41 L HN 0.562 nan 8.230 nan 0.000 0.436 42 E N -0.286 119.946 120.200 0.053 0.000 2.171 42 E HA -0.247 4.104 4.350 0.001 0.000 0.197 42 E C 1.992 178.609 176.600 0.028 0.000 0.997 42 E CA 1.106 57.529 56.400 0.037 0.000 0.810 42 E CB 0.210 29.918 29.700 0.013 0.000 0.738 42 E HN 0.271 nan 8.360 nan 0.000 0.467 43 K N -0.502 119.884 120.400 -0.023 0.000 2.288 43 K HA -0.139 4.181 4.320 0.001 0.000 0.201 43 K C 1.356 177.843 176.600 -0.188 0.000 1.048 43 K CA 0.800 56.991 56.287 -0.160 0.000 0.956 43 K CB -0.236 32.073 32.500 -0.319 0.000 0.746 43 K HN 0.378 nan 8.250 nan 0.000 0.461 44 W N 1.473 122.757 121.300 -0.028 0.000 2.905 44 W HA 0.048 4.709 4.660 0.001 0.000 0.251 44 W C 1.545 178.080 176.519 0.026 0.000 1.305 44 W CA 0.014 57.353 57.345 -0.010 0.000 1.465 44 W CB 0.082 29.482 29.460 -0.101 0.000 1.122 44 W HN 0.157 nan 8.180 nan 0.000 0.659 45 E N 0.017 120.332 120.200 0.192 0.000 2.347 45 E HA -0.135 4.215 4.350 0.001 0.000 0.196 45 E C 2.088 178.777 176.600 0.149 0.000 1.008 45 E CA 1.305 57.795 56.400 0.150 0.000 0.852 45 E CB -0.091 29.669 29.700 0.100 0.000 0.783 45 E HN 0.138 nan 8.360 nan 0.000 0.505 46 S N -0.312 115.461 115.700 0.121 0.000 2.603 46 S HA -0.082 4.389 4.470 0.001 0.000 0.220 46 S C 0.486 175.183 174.600 0.163 0.000 0.967 46 S CA -0.487 57.776 58.200 0.105 0.000 0.920 46 S CB -0.429 62.794 63.200 0.039 0.000 0.773 46 S HN 0.292 nan 8.310 nan 0.000 0.529 47 Y N 2.940 123.298 120.300 0.097 0.000 2.802 47 Y HA 0.164 4.715 4.550 0.001 0.000 0.333 47 Y C -0.195 175.779 175.900 0.124 0.000 1.244 47 Y CA 0.370 58.546 58.100 0.127 0.000 1.558 47 Y CB 0.208 38.783 38.460 0.191 0.000 1.233 47 Y HN 0.170 nan 8.280 nan 0.000 0.547 48 D N 6.613 126.943 120.400 -0.116 0.000 2.378 48 D HA 0.046 4.686 4.640 0.001 0.000 0.265 48 D C -1.052 175.179 176.300 -0.115 0.000 1.229 48 D CA -0.620 53.377 54.000 -0.004 0.000 0.914 48 D CB 0.295 41.106 40.800 0.019 0.000 1.140 48 D HN 0.630 nan 8.370 nan 0.000 0.516 49 E N 3.460 123.647 120.200 -0.022 0.000 2.694 49 E HA -0.060 4.291 4.350 0.001 0.000 0.250 49 E C -1.827 174.801 176.600 0.046 0.000 0.963 49 E CA -0.648 55.778 56.400 0.043 0.000 0.949 49 E CB 0.943 30.806 29.700 0.272 0.000 0.911 49 E HN 0.267 nan 8.360 nan 0.000 0.500 50 P HA -0.008 nan 4.420 nan 0.000 0.249 50 P C -0.468 176.873 177.300 0.068 0.000 1.229 50 P CA 0.403 63.516 63.100 0.022 0.000 0.788 50 P CB 0.031 31.737 31.700 0.010 0.000 1.072 51 Y N 1.562 121.859 120.300 -0.005 0.000 2.749 51 Y HA 0.406 4.956 4.550 0.001 0.000 0.343 51 Y C 0.030 175.933 175.900 0.004 0.000 1.015 51 Y CA -2.076 56.020 58.100 -0.008 0.000 1.270 51 Y CB 0.362 38.829 38.460 0.011 0.000 1.097 51 Y HN -0.274 nan 8.280 nan 0.000 0.571 52 K N 1.878 122.392 120.400 0.190 0.000 2.090 52 K HA 0.664 4.984 4.320 0.001 0.000 0.250 52 K C -0.148 176.511 176.600 0.097 0.000 1.004 52 K CA -0.566 55.761 56.287 0.068 0.000 0.919 52 K CB 1.560 33.873 32.500 -0.312 0.000 1.045 52 K HN 0.516 nan 8.250 nan 0.000 0.471 53 T N -0.648 113.963 114.554 0.096 0.000 2.769 53 T HA 0.474 4.825 4.350 0.001 0.000 0.306 53 T C -1.729 173.019 174.700 0.079 0.000 1.400 53 T CA -0.674 61.420 62.100 -0.009 0.000 1.007 53 T CB 1.294 70.035 68.868 -0.213 0.000 1.392 53 T HN 0.714 nan 8.240 nan 0.000 0.500 54 S N 0.830 116.568 115.700 0.064 0.000 2.651 54 S HA 0.471 4.942 4.470 0.001 0.000 0.279 54 S C 0.287 175.066 174.600 0.298 0.000 1.148 54 S CA -0.674 57.742 58.200 0.359 0.000 0.837 54 S CB 1.091 64.656 63.200 0.610 0.000 1.138 54 S HN 0.802 nan 8.310 nan 0.000 0.478 55 Y N 2.143 122.717 120.300 0.457 0.000 2.145 55 Y HA 0.103 4.653 4.550 0.001 0.000 0.286 55 Y C -1.233 174.837 175.900 0.283 0.000 1.145 55 Y CA 2.114 60.479 58.100 0.441 0.000 1.148 55 Y CB -1.391 37.276 38.460 0.346 0.000 0.981 55 Y HN 0.537 nan 8.280 nan 0.000 0.507 56 P HA -0.132 nan 4.420 nan 0.000 0.217 56 P C 1.003 178.349 177.300 0.077 0.000 1.150 56 P CA 2.081 65.295 63.100 0.191 0.000 0.832 56 P CB -0.020 31.803 31.700 0.205 0.000 0.787 57 E N -1.495 118.766 120.200 0.101 0.000 2.072 57 E HA -0.219 4.132 4.350 0.001 0.000 0.191 57 E C 2.036 178.615 176.600 -0.036 0.000 0.985 57 E CA 0.908 57.334 56.400 0.043 0.000 0.801 57 E CB -0.727 29.012 29.700 0.065 0.000 0.750 57 E HN 0.263 nan 8.360 nan 0.000 0.452 58 Y N 1.656 121.833 120.300 -0.205 0.000 2.097 58 Y HA -0.276 4.275 4.550 0.001 0.000 0.282 58 Y C 2.313 178.095 175.900 -0.196 0.000 1.152 58 Y CA 1.852 59.785 58.100 -0.278 0.000 1.136 58 Y CB -0.270 37.897 38.460 -0.489 0.000 0.975 58 Y HN -0.019 nan 8.280 nan 0.000 0.498 59 V N -2.744 117.081 119.914 -0.148 0.000 2.667 59 V HA -0.136 3.985 4.120 0.001 0.000 0.252 59 V C 2.282 178.291 176.094 -0.141 0.000 1.065 59 V CA 1.877 64.078 62.300 -0.165 0.000 1.083 59 V CB -1.091 30.627 31.823 -0.174 0.000 0.692 59 V HN 0.427 nan 8.190 nan 0.000 0.468 60 S N 0.443 116.079 115.700 -0.106 0.000 2.357 60 S HA -0.022 4.448 4.470 0.001 0.000 0.221 60 S C 1.882 176.429 174.600 -0.089 0.000 1.031 60 S CA 1.781 59.941 58.200 -0.067 0.000 0.982 60 S CB -0.441 62.743 63.200 -0.027 0.000 0.853 60 S HN 0.615 nan 8.310 nan 0.000 0.458 61 I N 1.292 121.785 120.570 -0.128 0.000 2.353 61 I HA -0.110 4.061 4.170 0.001 0.000 0.248 61 I C 2.618 178.632 176.117 -0.171 0.000 1.119 61 I CA 0.783 62.007 61.300 -0.127 0.000 1.417 61 I CB -0.227 37.699 38.000 -0.123 0.000 1.078 61 I HN 0.312 nan 8.210 nan 0.000 0.421 62 Q N 0.327 119.946 119.800 -0.302 0.000 2.172 62 Q HA -0.186 4.154 4.340 0.001 0.000 0.200 62 Q C 2.154 178.074 176.000 -0.134 0.000 0.964 62 Q CA 1.078 56.704 55.803 -0.294 0.000 0.855 62 Q CB -0.511 27.892 28.738 -0.558 0.000 0.918 62 Q HN 0.493 nan 8.270 nan 0.000 0.444 63 R N 1.227 121.661 120.500 -0.111 0.000 2.096 63 R HA -0.189 4.152 4.340 0.001 0.000 0.240 63 R C 1.960 178.251 176.300 -0.015 0.000 1.139 63 R CA 1.783 57.855 56.100 -0.046 0.000 0.952 63 R CB -0.101 30.175 30.300 -0.040 0.000 0.854 63 R HN 0.288 nan 8.270 nan 0.000 0.436 64 E N 0.223 120.407 120.200 -0.025 0.000 2.106 64 E HA -0.178 4.172 4.350 0.001 0.000 0.192 64 E C 1.802 178.410 176.600 0.013 0.000 0.984 64 E CA 1.185 57.584 56.400 -0.003 0.000 0.806 64 E CB 0.173 29.866 29.700 -0.012 0.000 0.750 64 E HN 0.355 nan 8.360 nan 0.000 0.458 65 K N 0.445 120.842 120.400 -0.006 0.000 2.026 65 K HA -0.163 4.158 4.320 0.001 0.000 0.208 65 K C 1.883 178.517 176.600 0.057 0.000 1.048 65 K CA 1.557 57.851 56.287 0.011 0.000 0.929 65 K CB -0.092 32.399 32.500 -0.015 0.000 0.713 65 K HN 0.095 nan 8.250 nan 0.000 0.439 66 D N 0.548 121.003 120.400 0.090 0.000 2.117 66 D HA -0.100 4.541 4.640 0.001 0.000 0.197 66 D C 1.828 178.308 176.300 0.301 0.000 0.987 66 D CA 1.166 55.303 54.000 0.228 0.000 0.829 66 D CB -0.223 40.750 40.800 0.287 0.000 0.961 66 D HN 0.190 nan 8.370 nan 0.000 0.460 67 A N 0.621 123.540 122.820 0.165 0.000 1.917 67 A HA -0.134 4.187 4.320 0.001 0.000 0.219 67 A C 2.354 180.026 177.584 0.146 0.000 1.182 67 A CA 2.372 54.489 52.037 0.132 0.000 0.633 67 A CB -1.106 17.931 19.000 0.062 0.000 0.819 67 A HN 0.333 nan 8.150 nan 0.000 0.448 68 G N -1.084 107.786 108.800 0.116 0.000 2.394 68 G HA2 0.105 4.066 3.960 0.001 0.000 0.215 68 G HA3 0.105 4.066 3.960 0.001 0.000 0.215 68 G C 1.744 176.723 174.900 0.131 0.000 1.165 68 G CA 1.277 46.439 45.100 0.103 0.000 0.784 68 G HN 0.806 nan 8.290 nan 0.000 0.535 69 A N 0.135 123.031 122.820 0.126 0.000 1.898 69 A HA 0.052 4.373 4.320 0.001 0.000 0.216 69 A C 2.223 179.923 177.584 0.193 0.000 1.181 69 A CA 1.388 53.495 52.037 0.115 0.000 0.620 69 A CB -0.603 18.383 19.000 -0.024 0.000 0.819 69 A HN 0.399 nan 8.150 nan 0.000 0.442 70 Y N 1.136 121.563 120.300 0.212 0.000 2.314 70 Y HA -0.142 4.409 4.550 0.001 0.000 0.293 70 Y C 3.054 179.003 175.900 0.081 0.000 1.129 70 Y CA 1.418 59.602 58.100 0.139 0.000 1.201 70 Y CB -0.195 38.283 38.460 0.031 0.000 0.999 70 Y HN 0.472 nan 8.280 nan 0.000 0.541 71 S N -1.222 114.611 115.700 0.222 0.000 2.406 71 S HA -0.116 4.354 4.470 0.001 0.000 0.228 71 S C 1.994 176.668 174.600 0.123 0.000 1.020 71 S CA 1.060 59.344 58.200 0.140 0.000 0.965 71 S CB -1.020 62.243 63.200 0.105 0.000 0.798 71 S HN 0.176 nan 8.310 nan 0.000 0.488 72 V N 2.689 122.688 119.914 0.141 0.000 2.307 72 V HA -0.163 3.958 4.120 0.001 0.000 0.245 72 V C 2.757 178.942 176.094 0.150 0.000 1.045 72 V CA 2.130 64.518 62.300 0.145 0.000 1.024 72 V CB -0.788 31.136 31.823 0.170 0.000 0.651 72 V HN 0.551 nan 8.190 nan 0.000 0.449 73 K N 0.380 120.868 120.400 0.146 0.000 2.044 73 K HA -0.262 4.058 4.320 0.001 0.000 0.210 73 K C 2.156 178.773 176.600 0.028 0.000 1.049 73 K CA 1.964 58.269 56.287 0.029 0.000 0.927 73 K CB -0.378 31.950 32.500 -0.286 0.000 0.713 73 K HN 0.431 nan 8.250 nan 0.000 0.443 74 A N 0.763 123.618 122.820 0.060 0.000 1.933 74 A HA -0.057 4.263 4.320 0.001 0.000 0.218 74 A C 2.267 179.886 177.584 0.058 0.000 1.175 74 A CA 1.784 53.855 52.037 0.057 0.000 0.628 74 A CB -0.660 18.383 19.000 0.072 0.000 0.814 74 A HN 0.506 nan 8.150 nan 0.000 0.444 75 A N -0.759 122.103 122.820 0.071 0.000 2.066 75 A HA 0.185 4.506 4.320 0.001 0.000 0.218 75 A C 1.781 179.412 177.584 0.078 0.000 1.157 75 A CA 1.151 53.229 52.037 0.068 0.000 0.670 75 A CB -0.366 18.675 19.000 0.068 0.000 0.804 75 A HN 0.463 nan 8.150 nan 0.000 0.453 76 L N -0.846 120.434 121.223 0.096 0.000 2.693 76 L HA 0.125 4.465 4.340 0.001 0.000 0.235 76 L C 1.403 178.340 176.870 0.112 0.000 1.127 76 L CA -0.154 54.757 54.840 0.118 0.000 0.914 76 L CB -0.092 42.068 42.059 0.169 0.000 1.193 76 L HN 0.185 nan 8.230 nan 0.000 0.502 77 E N 1.354 121.601 120.200 0.078 0.000 2.339 77 E HA -0.188 4.162 4.350 0.001 0.000 0.201 77 E C 1.406 178.058 176.600 0.087 0.000 1.015 77 E CA 0.991 57.429 56.400 0.064 0.000 0.841 77 E CB 0.059 29.772 29.700 0.022 0.000 0.754 77 E HN 0.469 nan 8.360 nan 0.000 0.508 78 R N -0.955 119.597 120.500 0.087 0.000 2.437 78 R HA 0.288 4.629 4.340 0.001 0.000 0.257 78 R C 1.800 178.159 176.300 0.098 0.000 0.927 78 R CA 0.553 56.705 56.100 0.087 0.000 1.078 78 R CB -0.008 30.331 30.300 0.065 0.000 1.161 78 R HN 0.015 nan 8.270 nan 0.000 0.529 79 A N 2.320 125.208 122.820 0.114 0.000 2.159 79 A HA -0.199 4.122 4.320 0.001 0.000 0.222 79 A C 1.453 179.109 177.584 0.120 0.000 1.163 79 A CA 2.339 54.449 52.037 0.121 0.000 0.664 79 A CB -0.634 18.456 19.000 0.150 0.000 0.803 79 A HN 0.464 nan 8.150 nan 0.000 0.470 80 K N -1.581 118.898 120.400 0.133 0.000 3.117 80 K HA -0.212 4.109 4.320 0.001 0.000 0.269 80 K C 0.609 177.288 176.600 0.133 0.000 1.098 80 K CA 1.343 57.710 56.287 0.134 0.000 0.785 80 K CB -3.118 29.444 32.500 0.103 0.000 1.242 80 K HN 0.539 nan 8.250 nan 0.000 0.491 81 I N -0.951 119.716 120.570 0.162 0.000 2.142 81 I HA -0.176 3.995 4.170 0.001 0.000 0.240 81 I C 2.292 178.477 176.117 0.113 0.000 1.078 81 I CA 2.046 63.435 61.300 0.148 0.000 1.343 81 I CB -1.000 37.129 38.000 0.214 0.000 1.046 81 I HN 0.727 nan 8.210 nan 0.000 0.405 82 Y N 1.880 122.165 120.300 -0.025 0.000 2.315 82 Y HA -0.263 4.289 4.550 0.003 0.000 0.288 82 Y C 2.303 178.188 175.900 -0.025 0.000 1.154 82 Y CA 1.831 59.851 58.100 -0.133 0.000 1.229 82 Y CB 0.073 38.332 38.460 -0.335 0.000 0.980 82 Y HN 0.204 nan 8.280 nan 0.000 0.540 83 E N -0.469 119.812 120.200 0.134 0.000 2.127 83 E HA -0.044 4.307 4.350 0.001 0.000 0.191 83 E C 1.568 178.176 176.600 0.014 0.000 0.964 83 E CA 0.998 57.452 56.400 0.090 0.000 0.832 83 E CB -0.110 29.675 29.700 0.142 0.000 0.790 83 E HN 0.302 nan 8.360 nan 0.000 0.465 84 N N -0.257 118.461 118.700 0.031 0.000 2.353 84 N HA 0.106 4.846 4.740 0.001 0.000 0.185 84 N C -0.424 175.089 175.510 0.004 0.000 1.098 84 N CA 0.142 53.204 53.050 0.020 0.000 0.872 84 N CB 0.428 38.935 38.487 0.034 0.000 0.970 84 N HN -0.111 nan 8.380 nan 0.000 0.467 85 S N 0.812 116.510 115.700 -0.002 0.000 2.576 85 S HA -0.026 4.444 4.470 0.001 0.000 0.276 85 S C 0.071 174.678 174.600 0.011 0.000 1.339 85 S CA -0.527 57.685 58.200 0.020 0.000 1.039 85 S CB 0.833 64.100 63.200 0.111 0.000 0.902 85 S HN 0.231 nan 8.310 nan 0.000 0.516 86 D N 2.054 122.486 120.400 0.053 0.000 2.525 86 D HA -0.009 4.632 4.640 0.001 0.000 0.235 86 D C -1.629 174.687 176.300 0.027 0.000 1.137 86 D CA -1.220 52.826 54.000 0.078 0.000 0.868 86 D CB 0.866 41.747 40.800 0.134 0.000 1.180 86 D HN 0.125 nan 8.370 nan 0.000 0.465 87 P HA -0.047 nan 4.420 nan 0.000 0.219 87 P C 1.193 178.377 177.300 -0.193 0.000 1.146 87 P CA 1.000 63.967 63.100 -0.221 0.000 0.808 87 P CB 0.097 31.562 31.700 -0.391 0.000 0.779 88 G N -1.492 107.243 108.800 -0.110 0.000 2.448 88 G HA2 -0.224 3.736 3.960 0.001 0.000 0.218 88 G HA3 -0.224 3.736 3.960 0.001 0.000 0.218 88 G C 1.442 176.381 174.900 0.066 0.000 1.135 88 G CA 0.008 45.096 45.100 -0.020 0.000 0.784 88 G HN 0.288 nan 8.290 nan 0.000 0.543 89 W N 0.998 122.266 121.300 -0.054 0.000 2.407 89 W HA -0.081 4.581 4.660 0.004 0.000 0.305 89 W C 1.970 178.429 176.519 -0.100 0.000 1.196 89 W CA 0.577 57.879 57.345 -0.071 0.000 1.311 89 W CB -0.048 29.364 29.460 -0.080 0.000 1.135 89 W HN 0.059 nan 8.180 nan 0.000 0.514 90 I N 1.133 121.613 120.570 -0.149 0.000 2.208 90 I HA -0.283 3.888 4.170 0.001 0.000 0.245 90 I C 2.438 178.417 176.117 -0.231 0.000 1.097 90 I CA 1.466 62.655 61.300 -0.185 0.000 1.363 90 I CB -1.690 36.212 38.000 -0.163 0.000 1.051 90 I HN -0.089 nan 8.210 nan 0.000 0.413 91 S N 0.369 115.941 115.700 -0.213 0.000 2.382 91 S HA -0.145 4.326 4.470 0.001 0.000 0.228 91 S C 2.036 176.491 174.600 -0.242 0.000 1.027 91 S CA 1.699 59.793 58.200 -0.176 0.000 0.991 91 S CB -0.268 62.835 63.200 -0.161 0.000 0.823 91 S HN 0.500 nan 8.310 nan 0.000 0.469 92 T N 3.063 117.431 114.554 -0.311 0.000 2.665 92 T HA -0.087 4.264 4.350 0.001 0.000 0.268 92 T C 1.720 176.054 174.700 -0.610 0.000 1.035 92 T CA 1.262 63.078 62.100 -0.475 0.000 1.151 92 T CB -0.517 67.881 68.868 -0.784 0.000 0.862 92 T HN 0.282 nan 8.240 nan 0.000 0.438 93 L N 0.329 121.116 121.223 -0.725 0.000 2.017 93 L HA -0.116 4.225 4.340 0.001 0.000 0.208 93 L C 2.678 179.512 176.870 -0.060 0.000 1.073 93 L CA 1.508 56.020 54.840 -0.547 0.000 0.745 93 L CB -0.506 41.413 42.059 -0.232 0.000 0.894 93 L HN 0.202 nan 8.230 nan 0.000 0.432 94 K N 0.033 120.392 120.400 -0.067 0.000 2.063 94 K HA -0.181 4.140 4.320 0.001 0.000 0.208 94 K C 2.392 179.127 176.600 0.226 0.000 1.048 94 K CA 1.856 58.155 56.287 0.020 0.000 0.928 94 K CB -0.257 32.136 32.500 -0.178 0.000 0.713 94 K HN 0.411 nan 8.250 nan 0.000 0.442 95 S N -0.070 115.517 115.700 -0.188 0.000 2.377 95 S HA -0.181 4.290 4.470 0.001 0.000 0.223 95 S C 1.993 176.513 174.600 -0.134 0.000 1.030 95 S CA 1.119 59.008 58.200 -0.518 0.000 0.970 95 S CB -0.469 61.733 63.200 -1.664 0.000 0.830 95 S HN 0.425 nan 8.310 nan 0.000 0.473 96 H N 0.381 119.305 119.070 -0.244 0.000 2.289 96 H HA -0.159 4.398 4.556 0.002 0.000 0.296 96 H C 1.770 177.138 175.328 0.066 0.000 1.091 96 H CA 2.533 58.487 56.048 -0.157 0.000 1.274 96 H CB -0.522 29.066 29.762 -0.289 0.000 1.364 96 H HN 0.473 nan 8.280 nan 0.000 0.490 97 Y N -0.287 120.229 120.300 0.360 0.000 2.263 97 Y HA 0.023 4.573 4.550 0.001 0.000 0.292 97 Y C 2.839 178.888 175.900 0.248 0.000 1.130 97 Y CA 1.118 59.434 58.100 0.360 0.000 1.179 97 Y CB -0.802 37.933 38.460 0.459 0.000 0.998 97 Y HN 0.393 nan 8.280 nan 0.000 0.532 98 G N -0.479 108.606 108.800 0.476 0.000 2.421 98 G HA2 -0.225 3.735 3.960 0.001 0.000 0.216 98 G HA3 -0.225 3.735 3.960 0.001 0.000 0.216 98 G C 1.913 176.993 174.900 0.299 0.000 1.171 98 G CA 0.987 46.228 45.100 0.235 0.000 0.775 98 G HN 0.444 nan 8.290 nan 0.000 0.543 99 A N -0.177 122.926 122.820 0.472 0.000 2.067 99 A HA 0.165 4.485 4.320 0.001 0.000 0.219 99 A C 2.129 179.944 177.584 0.384 0.000 1.158 99 A CA 1.226 53.487 52.037 0.373 0.000 0.661 99 A CB -0.091 18.974 19.000 0.108 0.000 0.801 99 A HN 0.325 nan 8.150 nan 0.000 0.452 100 I N -2.088 118.597 120.570 0.192 0.000 3.812 100 I HA 0.146 4.317 4.170 0.001 0.000 0.292 100 I C 2.678 178.825 176.117 0.050 0.000 1.206 100 I CA 0.880 62.241 61.300 0.101 0.000 1.370 100 I CB -1.340 36.569 38.000 -0.152 0.000 1.328 100 I HN 0.249 nan 8.210 nan 0.000 0.453 101 A N 1.056 123.941 122.820 0.108 0.000 1.873 101 A HA -0.177 4.143 4.320 0.001 0.000 0.218 101 A C 2.313 179.845 177.584 -0.087 0.000 1.193 101 A CA 2.388 54.487 52.037 0.103 0.000 0.629 101 A CB -0.961 18.154 19.000 0.192 0.000 0.826 101 A HN 0.216 nan 8.150 nan 0.000 0.447 102 V N -0.368 119.330 119.914 -0.360 0.000 3.306 102 V HA -0.001 4.120 4.120 0.001 0.000 0.264 102 V C 2.562 178.172 176.094 -0.806 0.000 1.149 102 V CA 1.137 63.111 62.300 -0.543 0.000 1.143 102 V CB -0.652 30.790 31.823 -0.636 0.000 0.767 102 V HN 0.638 nan 8.190 nan 0.000 0.476 103 G N -0.138 108.069 108.800 -0.989 0.000 2.402 103 G HA2 -0.169 3.792 3.960 0.001 0.000 0.216 103 G HA3 -0.169 3.792 3.960 0.001 0.000 0.216 103 G C 1.436 175.993 174.900 -0.572 0.000 1.162 103 G CA 0.467 45.106 45.100 -0.768 0.000 0.777 103 G HN 0.481 nan 8.290 nan 0.000 0.539 104 E N -0.062 119.957 120.200 -0.301 0.000 2.051 104 E HA -0.176 4.175 4.350 0.001 0.000 0.192 104 E C 2.100 178.640 176.600 -0.100 0.000 0.991 104 E CA 0.985 57.318 56.400 -0.111 0.000 0.799 104 E CB -0.387 29.379 29.700 0.109 0.000 0.748 104 E HN 0.561 nan 8.360 nan 0.000 0.449 105 Y N 1.527 121.720 120.300 -0.179 0.000 2.224 105 Y HA -0.188 4.363 4.550 0.001 0.000 0.289 105 Y C 2.347 178.154 175.900 -0.156 0.000 1.146 105 Y CA 1.314 59.334 58.100 -0.134 0.000 1.182 105 Y CB -0.408 37.986 38.460 -0.109 0.000 0.983 105 Y HN 0.017 nan 8.280 nan 0.000 0.524 106 A N 0.600 123.301 122.820 -0.199 0.000 1.917 106 A HA -0.238 4.083 4.320 0.001 0.000 0.219 106 A C 2.424 179.860 177.584 -0.248 0.000 1.182 106 A CA 2.145 54.050 52.037 -0.220 0.000 0.633 106 A CB -1.570 17.325 19.000 -0.176 0.000 0.819 106 A HN 0.604 nan 8.150 nan 0.000 0.448 107 A N -0.646 122.012 122.820 -0.270 0.000 2.076 107 A HA 0.023 4.344 4.320 0.001 0.000 0.220 107 A C 2.124 179.576 177.584 -0.220 0.000 1.160 107 A CA 1.619 53.528 52.037 -0.213 0.000 0.653 107 A CB -0.853 18.033 19.000 -0.190 0.000 0.801 107 A HN 0.435 nan 8.150 nan 0.000 0.455 108 V N -0.555 119.180 119.914 -0.299 0.000 2.392 108 V HA -0.249 3.872 4.120 0.001 0.000 0.249 108 V C 2.690 178.638 176.094 -0.244 0.000 1.059 108 V CA 2.510 64.622 62.300 -0.314 0.000 1.051 108 V CB -1.152 30.386 31.823 -0.476 0.000 0.658 108 V HN 0.608 nan 8.190 nan 0.000 0.455 109 T N 0.041 114.457 114.554 -0.230 0.000 2.857 109 T HA -0.039 4.312 4.350 0.001 0.000 0.266 109 T C 1.914 176.559 174.700 -0.092 0.000 1.048 109 T CA 1.324 63.336 62.100 -0.147 0.000 1.139 109 T CB -0.480 68.315 68.868 -0.122 0.000 0.874 109 T HN 0.623 nan 8.240 nan 0.000 0.455 110 G N 1.629 110.374 108.800 -0.093 0.000 2.440 110 G HA2 -0.203 3.758 3.960 0.001 0.000 0.218 110 G HA3 -0.203 3.758 3.960 0.001 0.000 0.218 110 G C 1.549 176.414 174.900 -0.059 0.000 1.154 110 G CA 0.578 45.644 45.100 -0.057 0.000 0.767 110 G HN 0.395 nan 8.290 nan 0.000 0.552 111 E N 0.666 120.804 120.200 -0.103 0.000 2.106 111 E HA -0.069 4.282 4.350 0.001 0.000 0.192 111 E C 2.782 179.325 176.600 -0.096 0.000 0.984 111 E CA 0.986 57.319 56.400 -0.113 0.000 0.806 111 E CB -0.681 28.912 29.700 -0.179 0.000 0.750 111 E HN 0.386 nan 8.360 nan 0.000 0.458 112 G N 1.317 110.056 108.800 -0.100 0.000 2.408 112 G HA2 -0.297 3.664 3.960 0.001 0.000 0.217 112 G HA3 -0.297 3.664 3.960 0.001 0.000 0.217 112 G C 1.781 176.661 174.900 -0.033 0.000 1.150 112 G CA 0.735 45.783 45.100 -0.086 0.000 0.776 112 G HN 0.151 nan 8.290 nan 0.000 0.542 113 R N -0.007 120.505 120.500 0.021 0.000 2.096 113 R HA 0.022 4.362 4.340 0.001 0.000 0.240 113 R C 2.681 179.064 176.300 0.139 0.000 1.139 113 R CA 1.690 57.878 56.100 0.146 0.000 0.952 113 R CB -0.395 29.961 30.300 0.094 0.000 0.854 113 R HN 0.401 nan 8.270 nan 0.000 0.436 114 M N -1.160 118.460 119.600 0.034 0.000 2.132 114 M HA -0.049 4.432 4.480 0.001 0.000 0.263 114 M C 2.253 178.526 176.300 -0.045 0.000 1.065 114 M CA 1.666 56.964 55.300 -0.003 0.000 1.122 114 M CB -0.218 32.368 32.600 -0.024 0.000 1.365 114 M HN 0.302 nan 8.290 nan 0.000 0.411 115 A N 0.260 123.036 122.820 -0.074 0.000 1.972 115 A HA -0.185 4.135 4.320 0.001 0.000 0.219 115 A C 2.120 179.622 177.584 -0.136 0.000 1.169 115 A CA 1.892 53.864 52.037 -0.109 0.000 0.635 115 A CB -0.452 18.469 19.000 -0.131 0.000 0.810 115 A HN 0.395 nan 8.150 nan 0.000 0.446 116 R N -1.568 118.811 120.500 -0.202 0.000 2.075 116 R HA 0.165 4.506 4.340 0.001 0.000 0.220 116 R C 0.879 176.929 176.300 -0.417 0.000 1.118 116 R CA 1.436 57.279 56.100 -0.428 0.000 0.986 116 R CB -0.563 29.291 30.300 -0.744 0.000 0.884 116 R HN 0.375 nan 8.270 nan 0.000 0.439 117 F N 0.112 120.085 119.950 0.038 0.000 2.695 117 F HA 0.427 4.954 4.527 0.001 0.000 0.303 117 F C 0.676 176.515 175.800 0.065 0.000 1.091 117 F CA -0.149 57.930 58.000 0.132 0.000 1.300 117 F CB 0.148 39.172 39.000 0.041 0.000 1.071 117 F HN -0.090 nan 8.300 nan 0.000 0.578 118 S N 0.710 116.435 115.700 0.042 0.000 2.564 118 S HA 0.105 4.575 4.470 0.001 0.000 0.278 118 S C 1.285 175.594 174.600 -0.485 0.000 1.333 118 S CA -0.347 57.700 58.200 -0.254 0.000 1.048 118 S CB 0.792 63.835 63.200 -0.261 0.000 0.900 118 S HN 0.291 nan 8.310 nan 0.000 0.505 119 K N 2.439 122.277 120.400 -0.937 0.000 2.400 119 K HA 0.160 4.481 4.320 0.001 0.000 0.194 119 K C 0.523 176.739 176.600 -0.641 0.000 1.033 119 K CA 0.225 55.802 56.287 -1.183 0.000 1.021 119 K CB 0.121 31.691 32.500 -1.550 0.000 0.808 119 K HN 0.650 nan 8.250 nan 0.000 0.505 120 A N 2.534 125.062 122.820 -0.486 0.000 2.350 120 A HA 0.201 4.522 4.320 0.001 0.000 0.293 120 A C -1.880 175.540 177.584 -0.273 0.000 1.231 120 A CA -1.401 50.482 52.037 -0.257 0.000 0.883 120 A CB 0.322 19.042 19.000 -0.467 0.000 1.133 120 A HN -0.059 nan 8.150 nan 0.000 0.533 121 P HA -0.145 nan 4.420 nan 0.000 0.215 121 P C 1.702 178.981 177.300 -0.034 0.000 1.153 121 P CA 1.997 65.071 63.100 -0.044 0.000 0.853 121 P CB 0.103 31.822 31.700 0.031 0.000 0.788 122 G N -0.255 108.558 108.800 0.022 0.000 2.408 122 G HA2 -0.284 3.677 3.960 0.001 0.000 0.217 122 G HA3 -0.284 3.677 3.960 0.001 0.000 0.217 122 G C 1.705 176.657 174.900 0.086 0.000 1.150 122 G CA 0.700 45.904 45.100 0.172 0.000 0.776 122 G HN 0.245 nan 8.290 nan 0.000 0.542 123 N N 1.014 119.501 118.700 -0.355 0.000 2.069 123 N HA -0.107 4.634 4.740 0.001 0.000 0.191 123 N C 2.313 177.750 175.510 -0.121 0.000 1.031 123 N CA 1.189 54.054 53.050 -0.309 0.000 0.852 123 N CB -0.350 37.729 38.487 -0.680 0.000 1.018 123 N HN 0.306 nan 8.380 nan 0.000 0.423 124 R N -0.202 120.212 120.500 -0.144 0.000 2.081 124 R HA -0.037 4.303 4.340 0.001 0.000 0.235 124 R C 1.656 177.905 176.300 -0.085 0.000 1.131 124 R CA 1.337 57.378 56.100 -0.098 0.000 0.960 124 R CB -0.336 29.915 30.300 -0.081 0.000 0.856 124 R HN 0.350 nan 8.270 nan 0.000 0.436 125 N N 0.324 118.997 118.700 -0.045 0.000 2.080 125 N HA -0.093 4.648 4.740 0.001 0.000 0.189 125 N C 1.727 177.236 175.510 -0.003 0.000 1.036 125 N CA 1.230 54.247 53.050 -0.055 0.000 0.846 125 N CB -0.173 38.339 38.487 0.043 0.000 1.015 125 N HN 0.064 nan 8.380 nan 0.000 0.423 126 M N 0.821 120.518 119.600 0.161 0.000 2.159 126 M HA 0.024 4.505 4.480 0.001 0.000 0.263 126 M C 2.018 178.391 176.300 0.122 0.000 1.063 126 M CA 0.780 56.235 55.300 0.260 0.000 1.110 126 M CB -1.371 31.401 32.600 0.287 0.000 1.374 126 M HN 0.131 nan 8.290 nan 0.000 0.411 127 A N -0.494 122.338 122.820 0.019 0.000 2.019 127 A HA -0.123 4.198 4.320 0.001 0.000 0.219 127 A C 2.320 179.825 177.584 -0.132 0.000 1.164 127 A CA 2.042 54.048 52.037 -0.051 0.000 0.644 127 A CB -0.991 17.971 19.000 -0.062 0.000 0.805 127 A HN 0.476 nan 8.150 nan 0.000 0.449 128 T N -0.325 114.101 114.554 -0.212 0.000 2.746 128 T HA -0.102 4.249 4.350 0.001 0.000 0.267 128 T C 1.440 175.890 174.700 -0.417 0.000 1.039 128 T CA 1.625 63.522 62.100 -0.340 0.000 1.142 128 T CB -0.433 68.157 68.868 -0.464 0.000 0.866 128 T HN 0.443 nan 8.240 nan 0.000 0.444 129 F N 1.568 121.390 119.950 -0.213 0.000 2.216 129 F HA 0.110 4.637 4.527 0.001 0.000 0.300 129 F C 2.621 178.299 175.800 -0.203 0.000 1.085 129 F CA 0.476 58.244 58.000 -0.386 0.000 1.326 129 F CB -1.293 37.475 39.000 -0.385 0.000 1.027 129 F HN 0.213 nan 8.300 nan 0.000 0.497 130 G N -0.164 108.632 108.800 -0.006 0.000 2.440 130 G HA2 -0.264 3.697 3.960 0.001 0.000 0.218 130 G HA3 -0.264 3.697 3.960 0.001 0.000 0.218 130 G C 1.726 176.474 174.900 -0.254 0.000 1.154 130 G CA 0.937 45.914 45.100 -0.204 0.000 0.767 130 G HN 0.253 nan 8.290 nan 0.000 0.552 131 M N -0.155 119.330 119.600 -0.191 0.000 2.080 131 M HA -0.053 4.428 4.480 0.001 0.000 0.260 131 M C 2.734 178.955 176.300 -0.132 0.000 1.068 131 M CA 1.372 56.565 55.300 -0.179 0.000 1.109 131 M CB -0.299 32.204 32.600 -0.162 0.000 1.342 131 M HN 0.135 nan 8.290 nan 0.000 0.405 132 M N -0.032 119.521 119.600 -0.079 0.000 2.099 132 M HA -0.180 4.301 4.480 0.001 0.000 0.262 132 M C 1.591 177.934 176.300 0.072 0.000 1.067 132 M CA 1.667 56.990 55.300 0.039 0.000 1.124 132 M CB -1.287 31.365 32.600 0.086 0.000 1.353 132 M HN 0.189 nan 8.290 nan 0.000 0.410 133 D N 0.451 120.884 120.400 0.056 0.000 2.104 133 D HA -0.164 4.476 4.640 0.001 0.000 0.194 133 D C 1.994 178.005 176.300 -0.482 0.000 0.994 133 D CA 1.178 55.114 54.000 -0.106 0.000 0.830 133 D CB -0.209 40.600 40.800 0.016 0.000 0.959 133 D HN 0.327 nan 8.370 nan 0.000 0.452 134 E N 0.242 120.220 120.200 -0.369 0.000 2.152 134 E HA -0.101 4.250 4.350 0.001 0.000 0.192 134 E C 2.255 178.791 176.600 -0.108 0.000 0.983 134 E CA 0.031 56.252 56.400 -0.297 0.000 0.818 134 E CB -0.397 29.158 29.700 -0.241 0.000 0.758 134 E HN 0.220 nan 8.360 nan 0.000 0.467 135 L N 1.821 123.004 121.223 -0.066 0.000 2.013 135 L HA -0.201 4.140 4.340 0.001 0.000 0.212 135 L C 2.566 179.506 176.870 0.118 0.000 1.073 135 L CA 1.910 56.794 54.840 0.075 0.000 0.753 135 L CB -0.434 41.668 42.059 0.072 0.000 0.890 135 L HN -0.007 nan 8.230 nan 0.000 0.432 136 R N -1.344 119.197 120.500 0.069 0.000 2.080 136 R HA -0.219 4.121 4.340 0.001 0.000 0.236 136 R C 2.329 178.775 176.300 0.243 0.000 1.137 136 R CA 2.236 58.422 56.100 0.143 0.000 0.943 136 R CB -0.619 29.762 30.300 0.135 0.000 0.846 136 R HN 0.632 nan 8.270 nan 0.000 0.431 137 H N -1.742 117.395 119.070 0.112 0.000 2.421 137 H HA -0.044 4.513 4.556 0.002 0.000 0.298 137 H C 1.994 177.411 175.328 0.149 0.000 1.087 137 H CA 0.501 56.618 56.048 0.115 0.000 1.330 137 H CB -0.007 29.816 29.762 0.102 0.000 1.388 137 H HN 0.501 nan 8.280 nan 0.000 0.526 138 G N 0.457 109.420 108.800 0.272 0.000 2.394 138 G HA2 -0.210 3.751 3.960 0.001 0.000 0.215 138 G HA3 -0.210 3.751 3.960 0.001 0.000 0.215 138 G C 1.483 176.513 174.900 0.217 0.000 1.165 138 G CA 0.296 45.537 45.100 0.235 0.000 0.784 138 G HN 0.387 nan 8.290 nan 0.000 0.535 139 Q N -0.216 119.716 119.800 0.219 0.000 2.083 139 Q HA 0.088 4.429 4.340 0.001 0.000 0.198 139 Q C 2.675 178.845 176.000 0.283 0.000 0.969 139 Q CA 0.648 56.580 55.803 0.216 0.000 0.838 139 Q CB -0.249 28.602 28.738 0.189 0.000 0.900 139 Q HN 0.402 nan 8.270 nan 0.000 0.436 140 L N 0.562 121.937 121.223 0.254 0.000 2.043 140 L HA -0.258 4.082 4.340 0.001 0.000 0.212 140 L C 2.228 179.244 176.870 0.244 0.000 1.075 140 L CA 1.475 56.441 54.840 0.210 0.000 0.752 140 L CB -0.240 41.799 42.059 -0.033 0.000 0.891 140 L HN 0.263 nan 8.230 nan 0.000 0.432 141 Q N -0.886 119.058 119.800 0.240 0.000 2.403 141 Q HA 0.041 4.382 4.340 0.001 0.000 0.203 141 Q C 2.038 178.158 176.000 0.200 0.000 0.932 141 Q CA 0.256 56.239 55.803 0.301 0.000 0.945 141 Q CB 0.381 29.384 28.738 0.441 0.000 1.045 141 Q HN 0.543 nan 8.270 nan 0.000 0.511 142 L N -1.409 119.940 121.223 0.209 0.000 2.221 142 L HA 0.011 4.351 4.340 0.001 0.000 0.202 142 L C 1.854 178.834 176.870 0.183 0.000 1.074 142 L CA 0.363 55.309 54.840 0.176 0.000 0.795 142 L CB -0.190 41.975 42.059 0.177 0.000 0.960 142 L HN 0.201 nan 8.230 nan 0.000 0.458 143 F N 0.290 120.331 119.950 0.151 0.000 2.134 143 F HA -0.237 4.290 4.527 0.001 0.000 0.299 143 F C 2.150 178.040 175.800 0.151 0.000 1.097 143 F CA 1.603 59.699 58.000 0.160 0.000 1.264 143 F CB -0.084 39.099 39.000 0.304 0.000 1.001 143 F HN -0.110 nan 8.300 nan 0.000 0.479 144 F N 1.114 121.077 119.950 0.023 0.000 2.128 144 F HA -0.014 4.513 4.527 0.000 0.000 0.295 144 F C -0.339 175.213 175.800 -0.413 0.000 1.100 144 F CA 0.757 58.678 58.000 -0.131 0.000 1.260 144 F CB -2.312 36.705 39.000 0.029 0.000 1.009 144 F HN -0.036 nan 8.300 nan 0.000 0.476 145 P HA -0.182 nan 4.420 nan 0.000 0.226 145 P C 1.540 178.664 177.300 -0.294 0.000 1.153 145 P CA 1.473 64.347 63.100 -0.378 0.000 0.777 145 P CB -0.472 31.061 31.700 -0.277 0.000 0.794 146 H N 2.158 121.026 119.070 -0.337 0.000 2.457 146 H HA -0.128 4.428 4.556 0.001 0.000 0.297 146 H C 1.509 176.605 175.328 -0.386 0.000 1.092 146 H CA 1.697 57.572 56.048 -0.288 0.000 1.309 146 H CB 0.107 29.684 29.762 -0.309 0.000 1.382 146 H HN 0.286 nan 8.280 nan 0.000 0.535 147 E N -0.592 119.289 120.200 -0.531 0.000 2.418 147 E HA -0.147 4.204 4.350 0.001 0.000 0.197 147 E C 0.823 177.079 176.600 -0.574 0.000 1.026 147 E CA 0.640 56.687 56.400 -0.588 0.000 0.862 147 E CB -0.249 29.046 29.700 -0.675 0.000 0.799 147 E HN 0.430 nan 8.360 nan 0.000 0.518 148 Y N -0.001 120.028 120.300 -0.451 0.000 2.462 148 Y HA 0.174 4.726 4.550 0.002 0.000 0.261 148 Y C 1.984 177.710 175.900 -0.290 0.000 1.146 148 Y CA -1.386 56.382 58.100 -0.554 0.000 1.283 148 Y CB -0.385 37.356 38.460 -1.198 0.000 1.090 148 Y HN 0.198 nan 8.280 nan 0.000 0.526 149 C N 1.111 120.345 119.300 -0.111 0.000 2.385 149 C HA -0.281 4.179 4.460 0.001 0.000 0.275 149 C C 2.703 177.667 174.990 -0.043 0.000 1.207 149 C CA 2.059 61.050 59.018 -0.045 0.000 1.760 149 C CB -0.975 26.625 27.740 -0.233 0.000 2.051 149 C HN 0.631 nan 8.230 nan 0.000 0.467 150 K N 0.739 121.065 120.400 -0.122 0.000 2.362 150 K HA -0.108 4.213 4.320 0.001 0.000 0.200 150 K C 1.614 178.170 176.600 -0.073 0.000 1.046 150 K CA 1.433 57.665 56.287 -0.092 0.000 0.952 150 K CB -0.208 32.224 32.500 -0.113 0.000 0.753 150 K HN 0.444 nan 8.250 nan 0.000 0.466 151 K N 0.005 120.337 120.400 -0.113 0.000 2.284 151 K HA 0.037 4.358 4.320 0.001 0.000 0.198 151 K C -0.356 176.233 176.600 -0.019 0.000 1.048 151 K CA 0.441 56.609 56.287 -0.199 0.000 0.987 151 K CB 0.428 32.505 32.500 -0.706 0.000 0.800 151 K HN 0.118 nan 8.250 nan 0.000 0.486 152 D N -0.600 119.874 120.400 0.122 0.000 2.614 152 D HA 0.101 4.742 4.640 0.001 0.000 0.203 152 D C -0.110 176.371 176.300 0.301 0.000 1.312 152 D CA -0.193 53.964 54.000 0.262 0.000 0.889 152 D CB 0.881 41.944 40.800 0.438 0.000 1.615 152 D HN -0.171 nan 8.370 nan 0.000 0.567 153 R N 1.505 122.147 120.500 0.236 0.000 2.193 153 R HA -0.087 4.253 4.340 0.001 0.000 0.229 153 R C 1.662 178.180 176.300 0.364 0.000 1.110 153 R CA 1.067 57.325 56.100 0.262 0.000 0.988 153 R CB 0.230 30.670 30.300 0.233 0.000 0.871 153 R HN 0.528 nan 8.270 nan 0.000 0.458 154 Q N -0.557 119.423 119.800 0.301 0.000 2.226 154 Q HA -0.125 4.215 4.340 0.001 0.000 0.204 154 Q C 1.286 177.480 176.000 0.323 0.000 0.975 154 Q CA 1.125 57.096 55.803 0.281 0.000 0.866 154 Q CB 0.008 28.798 28.738 0.087 0.000 0.915 154 Q HN 0.309 nan 8.270 nan 0.000 0.440 155 F N 0.536 120.700 119.950 0.357 0.000 2.502 155 F HA -0.100 4.427 4.527 -0.000 0.000 0.298 155 F C 1.718 177.688 175.800 0.283 0.000 1.111 155 F CA 0.802 58.998 58.000 0.327 0.000 1.445 155 F CB -0.078 39.088 39.000 0.277 0.000 1.081 155 F HN 0.062 nan 8.300 nan 0.000 0.558 156 D N -0.981 119.669 120.400 0.415 0.000 2.271 156 D HA -0.240 4.401 4.640 0.001 0.000 0.207 156 D C 1.584 178.006 176.300 0.204 0.000 0.983 156 D CA 1.187 55.354 54.000 0.278 0.000 0.878 156 D CB -0.197 40.722 40.800 0.199 0.000 0.920 156 D HN 0.291 nan 8.370 nan 0.000 0.479 157 W N 0.298 121.624 121.300 0.044 0.000 3.047 157 W HA 0.347 5.008 4.660 0.002 0.000 0.250 157 W C 2.267 178.644 176.519 -0.236 0.000 1.314 157 W CA 0.467 57.660 57.345 -0.253 0.000 1.540 157 W CB -0.380 28.706 29.460 -0.624 0.000 1.127 157 W HN -0.028 nan 8.180 nan 0.000 0.679 158 A N -0.412 122.540 122.820 0.219 0.000 1.908 158 A HA -0.247 4.074 4.320 0.001 0.000 0.218 158 A C 1.697 179.379 177.584 0.165 0.000 1.181 158 A CA 1.841 54.026 52.037 0.247 0.000 0.627 158 A CB -1.161 18.031 19.000 0.320 0.000 0.818 158 A HN 0.510 nan 8.150 nan 0.000 0.445 159 W N -0.400 120.907 121.300 0.013 0.000 2.525 159 W HA 0.105 4.765 4.660 0.000 0.000 0.288 159 W C 2.285 178.774 176.519 -0.050 0.000 1.200 159 W CA 1.158 58.492 57.345 -0.018 0.000 1.349 159 W CB -0.014 29.430 29.460 -0.028 0.000 1.102 159 W HN 0.185 nan 8.180 nan 0.000 0.558 160 R N 0.287 120.533 120.500 -0.424 0.000 2.161 160 R HA 0.036 4.376 4.340 0.001 0.000 0.213 160 R C 2.278 178.074 176.300 -0.840 0.000 1.055 160 R CA 1.002 56.553 56.100 -0.915 0.000 0.996 160 R CB -0.442 29.267 30.300 -0.984 0.000 0.901 160 R HN 0.173 nan 8.270 nan 0.000 0.456 161 A N 0.572 123.019 122.820 -0.622 0.000 1.896 161 A HA -0.246 4.075 4.320 0.001 0.000 0.220 161 A C 1.708 179.100 177.584 -0.321 0.000 1.206 161 A CA 1.592 53.360 52.037 -0.448 0.000 0.647 161 A CB -0.992 17.600 19.000 -0.680 0.000 0.828 161 A HN 0.450 nan 8.150 nan 0.000 0.455 162 Y N -0.459 119.566 120.300 -0.459 0.000 2.497 162 Y HA -0.105 4.445 4.550 0.001 0.000 0.292 162 Y C 2.198 177.788 175.900 -0.516 0.000 1.137 162 Y CA 1.247 59.107 58.100 -0.400 0.000 1.285 162 Y CB -0.221 38.001 38.460 -0.397 0.000 0.991 162 Y HN 0.500 nan 8.280 nan 0.000 0.556 163 H N -1.210 117.639 119.070 -0.368 0.000 2.539 163 H HA 0.172 4.729 4.556 0.001 0.000 0.267 163 H C 1.022 176.140 175.328 -0.349 0.000 0.982 163 H CA 0.661 56.470 56.048 -0.400 0.000 1.146 163 H CB 0.141 29.512 29.762 -0.651 0.000 1.382 163 H HN 0.253 nan 8.280 nan 0.000 0.577 164 S N 0.101 115.644 115.700 -0.261 0.000 2.767 164 S HA 0.241 4.711 4.470 0.001 0.000 0.300 164 S C 0.675 175.193 174.600 -0.138 0.000 1.123 164 S CA -0.918 57.148 58.200 -0.223 0.000 0.992 164 S CB 1.685 64.737 63.200 -0.247 0.000 1.138 164 S HN 0.096 nan 8.310 nan 0.000 0.550 165 N N 0.989 119.597 118.700 -0.153 0.000 2.321 165 N HA 0.171 4.912 4.740 0.001 0.000 0.242 165 N C -0.326 175.228 175.510 0.073 0.000 1.141 165 N CA -0.145 52.846 53.050 -0.097 0.000 0.864 165 N CB 0.216 38.459 38.487 -0.407 0.000 1.100 165 N HN 0.680 nan 8.380 nan 0.000 0.510 166 E N 1.112 121.381 120.200 0.114 0.000 2.415 166 E HA -0.083 4.268 4.350 0.001 0.000 0.262 166 E C 1.064 177.769 176.600 0.175 0.000 1.038 166 E CA -0.355 56.166 56.400 0.201 0.000 0.921 166 E CB 0.689 30.529 29.700 0.232 0.000 0.950 166 E HN 0.366 nan 8.360 nan 0.000 0.438 167 W N 3.991 125.390 121.300 0.165 0.000 2.388 167 W HA -0.053 4.607 4.660 0.000 0.000 0.294 167 W C 1.117 177.684 176.519 0.080 0.000 1.212 167 W CA 0.947 58.350 57.345 0.096 0.000 1.271 167 W CB -0.769 28.703 29.460 0.019 0.000 1.126 167 W HN 0.495 nan 8.180 nan 0.000 0.535 168 A N 1.617 123.873 122.820 -0.940 0.000 1.968 168 A HA 0.165 4.486 4.320 0.001 0.000 0.217 168 A C 2.327 179.809 177.584 -0.170 0.000 1.169 168 A CA 2.184 53.740 52.037 -0.803 0.000 0.638 168 A CB -0.962 17.365 19.000 -1.121 0.000 0.812 168 A HN 0.329 nan 8.150 nan 0.000 0.446 169 A N 0.168 123.007 122.820 0.031 0.000 1.898 169 A HA -0.028 4.293 4.320 0.001 0.000 0.216 169 A C 2.058 179.565 177.584 -0.130 0.000 1.181 169 A CA 1.335 53.338 52.037 -0.056 0.000 0.620 169 A CB -0.562 18.409 19.000 -0.047 0.000 0.819 169 A HN 0.461 nan 8.150 nan 0.000 0.442 170 I N -0.099 120.476 120.570 0.008 0.000 2.208 170 I HA -0.330 3.840 4.170 0.001 0.000 0.245 170 I C 2.935 179.119 176.117 0.111 0.000 1.097 170 I CA 1.140 62.497 61.300 0.094 0.000 1.363 170 I CB -0.285 37.836 38.000 0.202 0.000 1.051 170 I HN 0.380 nan 8.210 nan 0.000 0.413 171 A N 0.524 123.389 122.820 0.076 0.000 1.933 171 A HA -0.124 4.197 4.320 0.001 0.000 0.218 171 A C 2.513 180.102 177.584 0.008 0.000 1.175 171 A CA 1.753 53.823 52.037 0.055 0.000 0.628 171 A CB -0.667 18.343 19.000 0.017 0.000 0.814 171 A HN 0.443 nan 8.150 nan 0.000 0.444 172 A N -0.181 122.594 122.820 -0.075 0.000 1.872 172 A HA -0.094 4.227 4.320 0.001 0.000 0.214 172 A C 2.116 179.748 177.584 0.080 0.000 1.187 172 A CA 1.609 53.601 52.037 -0.075 0.000 0.614 172 A CB -0.364 18.573 19.000 -0.105 0.000 0.826 172 A HN 0.499 nan 8.150 nan 0.000 0.442 173 K N -1.259 119.134 120.400 -0.011 0.000 2.097 173 K HA -0.139 4.182 4.320 0.001 0.000 0.205 173 K C 2.101 178.791 176.600 0.150 0.000 1.050 173 K CA 1.133 57.482 56.287 0.104 0.000 0.938 173 K CB -0.353 32.146 32.500 -0.002 0.000 0.718 173 K HN 0.643 nan 8.250 nan 0.000 0.442 174 H N 0.234 119.342 119.070 0.062 0.000 2.319 174 H HA -0.176 4.380 4.556 0.001 0.000 0.299 174 H C 2.022 177.390 175.328 0.067 0.000 1.092 174 H CA 1.894 57.970 56.048 0.046 0.000 1.302 174 H CB -0.144 29.635 29.762 0.028 0.000 1.373 174 H HN 0.146 nan 8.280 nan 0.000 0.497 175 F N 0.664 120.646 119.950 0.053 0.000 2.051 175 F HA -0.221 4.307 4.527 0.002 0.000 0.296 175 F C 2.147 177.906 175.800 -0.068 0.000 1.122 175 F CA 1.507 59.465 58.000 -0.069 0.000 1.201 175 F CB -0.873 37.946 39.000 -0.301 0.000 0.978 175 F HN 0.003 nan 8.300 nan 0.000 0.472 176 F N 1.069 121.016 119.950 -0.005 0.000 2.234 176 F HA -0.122 4.405 4.527 0.001 0.000 0.299 176 F C 2.260 177.971 175.800 -0.148 0.000 1.087 176 F CA 1.410 59.347 58.000 -0.105 0.000 1.340 176 F CB -1.044 38.041 39.000 0.141 0.000 1.031 176 F HN 0.026 nan 8.300 nan 0.000 0.500 177 D N -0.505 119.939 120.400 0.075 0.000 2.224 177 D HA -0.136 4.504 4.640 0.001 0.000 0.205 177 D C 1.882 178.110 176.300 -0.120 0.000 0.965 177 D CA 1.022 55.011 54.000 -0.017 0.000 0.852 177 D CB -0.307 40.479 40.800 -0.023 0.000 0.947 177 D HN 0.211 nan 8.370 nan 0.000 0.494 178 D N -0.402 119.884 120.400 -0.189 0.000 2.162 178 D HA -0.053 4.587 4.640 0.001 0.000 0.203 178 D C 1.646 177.841 176.300 -0.174 0.000 0.967 178 D CA 0.491 54.377 54.000 -0.189 0.000 0.840 178 D CB 0.208 40.936 40.800 -0.119 0.000 0.972 178 D HN 0.036 nan 8.370 nan 0.000 0.482 179 I N -0.252 120.149 120.570 -0.283 0.000 3.526 179 I HA 0.146 4.316 4.170 0.001 0.000 0.294 179 I C 1.827 177.887 176.117 -0.096 0.000 1.229 179 I CA 0.382 61.542 61.300 -0.234 0.000 1.408 179 I CB 0.300 37.994 38.000 -0.509 0.000 1.127 179 I HN 0.052 nan 8.210 nan 0.000 0.439 180 I N -1.080 119.449 120.570 -0.070 0.000 3.366 180 I HA -0.018 4.153 4.170 0.001 0.000 0.267 180 I C 1.953 178.054 176.117 -0.027 0.000 1.149 180 I CA 1.056 62.351 61.300 -0.007 0.000 1.436 180 I CB -0.316 37.711 38.000 0.045 0.000 1.379 180 I HN 0.111 nan 8.210 nan 0.000 0.460 181 T N -2.088 112.448 114.554 -0.030 0.000 3.044 181 T HA 0.165 4.515 4.350 0.001 0.000 0.250 181 T C 1.475 176.144 174.700 -0.052 0.000 1.081 181 T CA 0.588 62.666 62.100 -0.037 0.000 1.040 181 T CB 0.187 69.040 68.868 -0.025 0.000 0.962 181 T HN 0.318 nan 8.240 nan 0.000 0.506 182 G N 0.516 109.273 108.800 -0.072 0.000 3.393 182 G HA2 0.432 4.393 3.960 0.001 0.000 0.255 182 G HA3 0.432 4.393 3.960 0.001 0.000 0.255 182 G C 0.348 175.180 174.900 -0.113 0.000 1.097 182 G CA -0.653 44.388 45.100 -0.098 0.000 0.780 182 G HN 0.354 nan 8.290 nan 0.000 0.540 183 R N -0.033 120.412 120.500 -0.093 0.000 2.888 183 R HA 0.394 4.735 4.340 0.001 0.000 0.264 183 R C -0.963 175.282 176.300 -0.092 0.000 1.045 183 R CA -0.816 55.227 56.100 -0.095 0.000 0.962 183 R CB 1.340 31.598 30.300 -0.070 0.000 1.210 183 R HN 0.273 nan 8.270 nan 0.000 0.479 184 D N 0.112 120.449 120.400 -0.104 0.000 2.371 184 D HA 0.131 4.772 4.640 0.001 0.000 0.242 184 D C 0.878 177.143 176.300 -0.059 0.000 1.218 184 D CA -0.182 53.746 54.000 -0.119 0.000 0.945 184 D CB 0.614 41.324 40.800 -0.149 0.000 1.137 184 D HN 0.486 nan 8.370 nan 0.000 0.464 185 A N 0.807 123.601 122.820 -0.045 0.000 1.883 185 A HA -0.175 4.146 4.320 0.001 0.000 0.217 185 A C 2.168 179.752 177.584 -0.001 0.000 1.186 185 A CA 1.296 53.333 52.037 0.000 0.000 0.624 185 A CB -0.800 18.221 19.000 0.034 0.000 0.822 185 A HN 0.644 nan 8.150 nan 0.000 0.444 186 I N 0.078 120.638 120.570 -0.016 0.000 2.439 186 I HA -0.117 4.054 4.170 0.001 0.000 0.251 186 I C 2.500 178.674 176.117 0.094 0.000 1.139 186 I CA 1.418 62.751 61.300 0.055 0.000 1.438 186 I CB -1.506 36.547 38.000 0.089 0.000 1.085 186 I HN 0.215 nan 8.210 nan 0.000 0.427 187 S N 0.857 116.590 115.700 0.055 0.000 2.368 187 S HA -0.116 4.355 4.470 0.001 0.000 0.225 187 S C 2.277 176.928 174.600 0.084 0.000 1.030 187 S CA 1.137 59.380 58.200 0.072 0.000 0.999 187 S CB -0.279 62.937 63.200 0.026 0.000 0.844 187 S HN 0.246 nan 8.310 nan 0.000 0.459 188 V N 2.165 122.111 119.914 0.053 0.000 2.287 188 V HA -0.237 3.883 4.120 0.001 0.000 0.248 188 V C 2.660 178.806 176.094 0.086 0.000 1.053 188 V CA 1.728 64.063 62.300 0.059 0.000 1.027 188 V CB -1.305 30.536 31.823 0.030 0.000 0.646 188 V HN 0.547 nan 8.190 nan 0.000 0.447 189 A N 0.512 123.386 122.820 0.089 0.000 1.948 189 A HA -0.201 4.120 4.320 0.001 0.000 0.220 189 A C 2.113 179.761 177.584 0.107 0.000 1.177 189 A CA 2.387 54.488 52.037 0.106 0.000 0.636 189 A CB -0.549 18.541 19.000 0.150 0.000 0.815 189 A HN 0.771 nan 8.150 nan 0.000 0.449 190 I N -5.773 114.903 120.570 0.178 0.000 3.939 190 I HA 0.178 4.349 4.170 0.001 0.000 0.313 190 I C 2.074 178.391 176.117 0.334 0.000 1.274 190 I CA 0.471 61.942 61.300 0.285 0.000 1.301 190 I CB -0.059 38.180 38.000 0.397 0.000 1.105 190 I HN 0.113 nan 8.210 nan 0.000 0.427 191 M N 0.843 120.594 119.600 0.252 0.000 2.325 191 M HA 0.063 4.543 4.480 0.001 0.000 0.265 191 M C 2.216 178.689 176.300 0.289 0.000 1.094 191 M CA 1.364 56.835 55.300 0.286 0.000 1.161 191 M CB -0.164 32.562 32.600 0.208 0.000 1.358 191 M HN 0.337 nan 8.290 nan 0.000 0.446 192 L N 0.771 122.124 121.223 0.216 0.000 2.044 192 L HA -0.094 4.246 4.340 0.001 0.000 0.205 192 L C 2.601 179.635 176.870 0.273 0.000 1.075 192 L CA 2.216 57.214 54.840 0.262 0.000 0.747 192 L CB -0.904 41.273 42.059 0.197 0.000 0.903 192 L HN 0.408 nan 8.230 nan 0.000 0.435 193 T N -3.114 111.509 114.554 0.115 0.000 2.867 193 T HA -0.131 4.219 4.350 0.001 0.000 0.268 193 T C 1.046 175.741 174.700 -0.009 0.000 1.057 193 T CA 1.098 63.173 62.100 -0.042 0.000 1.136 193 T CB -0.666 68.021 68.868 -0.303 0.000 0.874 193 T HN 0.208 nan 8.240 nan 0.000 0.466 194 F N 1.911 122.068 119.950 0.344 0.000 2.837 194 F HA 0.512 5.039 4.527 0.001 0.000 0.298 194 F C 1.645 177.783 175.800 0.563 0.000 1.161 194 F CA -0.952 57.338 58.000 0.484 0.000 1.353 194 F CB 0.150 39.383 39.000 0.387 0.000 0.951 194 F HN 0.413 nan 8.300 nan 0.000 0.508 195 S N -2.021 113.988 115.700 0.515 0.000 3.552 195 S HA 0.088 4.558 4.470 0.001 0.000 0.251 195 S C 1.257 176.052 174.600 0.325 0.000 1.119 195 S CA -0.046 58.432 58.200 0.464 0.000 0.830 195 S CB -0.492 63.069 63.200 0.603 0.000 0.946 195 S HN 0.134 nan 8.310 nan 0.000 0.470 196 F N 2.535 122.640 119.950 0.258 0.000 2.298 196 F HA 0.460 4.987 4.527 0.001 0.000 0.282 196 F C 2.306 178.126 175.800 0.034 0.000 1.045 196 F CA 1.277 59.376 58.000 0.165 0.000 1.280 196 F CB -0.180 39.067 39.000 0.411 0.000 1.114 196 F HN 0.142 nan 8.300 nan 0.000 0.546 197 E N -0.407 119.858 120.200 0.108 0.000 2.051 197 E HA -0.191 4.160 4.350 0.001 0.000 0.192 197 E C 1.684 178.179 176.600 -0.176 0.000 0.991 197 E CA 1.974 58.325 56.400 -0.081 0.000 0.799 197 E CB -0.383 29.388 29.700 0.120 0.000 0.748 197 E HN 0.491 nan 8.360 nan 0.000 0.449 198 T N -2.813 111.709 114.554 -0.052 0.000 3.069 198 T HA 0.273 4.624 4.350 0.001 0.000 0.252 198 T C 1.003 175.595 174.700 -0.181 0.000 1.053 198 T CA 0.115 62.231 62.100 0.027 0.000 0.964 198 T CB 0.925 69.993 68.868 0.333 0.000 1.005 198 T HN 0.147 nan 8.240 nan 0.000 0.532 199 G N 0.793 109.246 108.800 -0.578 0.000 2.560 199 G HA2 0.390 4.350 3.960 0.001 0.000 0.212 199 G HA3 0.390 4.350 3.960 0.001 0.000 0.212 199 G C 0.422 174.822 174.900 -0.832 0.000 2.038 199 G CA -0.474 43.923 45.100 -1.171 0.000 0.728 199 G HN 0.256 nan 8.290 nan 0.000 0.784 200 F N 2.140 121.707 119.950 -0.638 0.000 2.558 200 F HA 0.236 4.764 4.527 0.000 0.000 0.298 200 F C 2.910 178.173 175.800 -0.895 0.000 1.119 200 F CA 0.742 58.326 58.000 -0.693 0.000 1.451 200 F CB 0.058 38.546 39.000 -0.854 0.000 1.091 200 F HN 0.235 nan 8.300 nan 0.000 0.563 201 A N 0.281 122.499 122.820 -1.003 0.000 1.978 201 A HA -0.215 4.105 4.320 0.001 0.000 0.220 201 A C 2.120 179.425 177.584 -0.465 0.000 1.170 201 A CA 1.851 53.328 52.037 -0.932 0.000 0.636 201 A CB -0.641 17.510 19.000 -1.415 0.000 0.810 201 A HN 0.323 nan 8.150 nan 0.000 0.448 202 N N -0.535 117.794 118.700 -0.618 0.000 2.309 202 N HA -0.081 4.660 4.740 0.001 0.000 0.182 202 N C 1.629 176.521 175.510 -1.029 0.000 1.018 202 N CA 1.195 53.714 53.050 -0.885 0.000 0.876 202 N CB -0.301 37.513 38.487 -1.121 0.000 0.972 202 N HN 0.410 nan 8.380 nan 0.000 0.434 203 M N 0.358 119.567 119.600 -0.653 0.000 2.077 203 M HA -0.118 4.363 4.480 0.001 0.000 0.261 203 M C 2.118 178.273 176.300 -0.241 0.000 1.070 203 M CA 1.436 56.500 55.300 -0.393 0.000 1.125 203 M CB -1.008 31.581 32.600 -0.020 0.000 1.339 203 M HN 0.055 nan 8.290 nan 0.000 0.409 204 Q N -0.339 119.414 119.800 -0.078 0.000 2.245 204 Q HA -0.008 4.332 4.340 0.001 0.000 0.201 204 Q C 1.350 177.227 176.000 -0.204 0.000 0.955 204 Q CA 1.522 57.326 55.803 0.002 0.000 0.870 204 Q CB 0.010 28.904 28.738 0.260 0.000 0.945 204 Q HN 0.435 nan 8.270 nan 0.000 0.461 205 F N -1.764 118.064 119.950 -0.204 0.000 2.717 205 F HA 0.291 4.819 4.527 0.002 0.000 0.297 205 F C 1.280 176.892 175.800 -0.313 0.000 1.113 205 F CA 0.121 57.982 58.000 -0.233 0.000 1.319 205 F CB 0.661 39.525 39.000 -0.227 0.000 1.097 205 F HN -0.006 nan 8.300 nan 0.000 0.595 206 L N -1.944 119.114 121.223 -0.274 0.000 2.600 206 L HA 0.303 4.644 4.340 0.001 0.000 0.213 206 L C 2.520 179.218 176.870 -0.287 0.000 1.045 206 L CA 0.750 55.423 54.840 -0.279 0.000 0.863 206 L CB -0.815 40.998 42.059 -0.409 0.000 1.189 206 L HN 0.074 nan 8.230 nan 0.000 0.484 207 G N 0.726 109.184 108.800 -0.569 0.000 2.446 207 G HA2 -0.274 3.687 3.960 0.001 0.000 0.217 207 G HA3 -0.274 3.687 3.960 0.001 0.000 0.217 207 G C 1.455 176.049 174.900 -0.510 0.000 1.168 207 G CA 0.804 45.328 45.100 -0.960 0.000 0.771 207 G HN 0.138 nan 8.290 nan 0.000 0.551 208 L N 1.414 122.484 121.223 -0.254 0.000 2.141 208 L HA 0.230 4.570 4.340 0.001 0.000 0.209 208 L C 3.015 179.952 176.870 0.112 0.000 1.094 208 L CA 1.731 56.576 54.840 0.008 0.000 0.763 208 L CB -0.775 41.301 42.059 0.028 0.000 0.908 208 L HN 0.250 nan 8.230 nan 0.000 0.437 209 A N -0.454 122.357 122.820 -0.015 0.000 1.902 209 A HA -0.139 4.182 4.320 0.001 0.000 0.217 209 A C 2.480 180.112 177.584 0.080 0.000 1.181 209 A CA 1.835 53.884 52.037 0.021 0.000 0.623 209 A CB -1.097 17.884 19.000 -0.033 0.000 0.818 209 A HN 0.534 nan 8.150 nan 0.000 0.443 210 A N 0.032 122.906 122.820 0.090 0.000 1.883 210 A HA -0.205 4.115 4.320 0.001 0.000 0.217 210 A C 1.784 179.454 177.584 0.143 0.000 1.186 210 A CA 2.025 54.163 52.037 0.168 0.000 0.624 210 A CB -0.635 18.557 19.000 0.321 0.000 0.822 210 A HN 0.461 nan 8.150 nan 0.000 0.444 211 D N -0.066 120.433 120.400 0.165 0.000 2.117 211 D HA -0.007 4.634 4.640 0.001 0.000 0.198 211 D C 2.238 178.446 176.300 -0.153 0.000 0.982 211 D CA 1.476 55.532 54.000 0.094 0.000 0.828 211 D CB -0.472 40.461 40.800 0.221 0.000 0.967 211 D HN 0.414 nan 8.370 nan 0.000 0.464 212 A N 1.010 123.811 122.820 -0.033 0.000 1.908 212 A HA -0.082 4.239 4.320 0.001 0.000 0.218 212 A C 2.301 179.672 177.584 -0.356 0.000 1.181 212 A CA 2.257 54.140 52.037 -0.256 0.000 0.627 212 A CB -0.752 18.550 19.000 0.504 0.000 0.818 212 A HN 0.235 nan 8.150 nan 0.000 0.445 213 A N -0.295 122.413 122.820 -0.186 0.000 1.877 213 A HA -0.162 4.158 4.320 0.001 0.000 0.216 213 A C 1.923 179.359 177.584 -0.246 0.000 1.186 213 A CA 1.690 53.583 52.037 -0.239 0.000 0.620 213 A CB -0.450 18.583 19.000 0.055 0.000 0.822 213 A HN 0.478 nan 8.150 nan 0.000 0.443 214 E N -0.002 120.102 120.200 -0.161 0.000 2.110 214 E HA -0.120 4.231 4.350 0.001 0.000 0.193 214 E C 2.042 178.486 176.600 -0.260 0.000 0.988 214 E CA 1.173 57.487 56.400 -0.144 0.000 0.804 214 E CB -0.534 29.107 29.700 -0.098 0.000 0.745 214 E HN 0.586 nan 8.360 nan 0.000 0.458 215 A N 0.289 122.830 122.820 -0.466 0.000 2.239 215 A HA 0.209 4.530 4.320 0.001 0.000 0.209 215 A C 1.673 178.967 177.584 -0.484 0.000 1.171 215 A CA 1.009 52.698 52.037 -0.580 0.000 0.768 215 A CB -0.511 17.791 19.000 -1.162 0.000 0.790 215 A HN 0.279 nan 8.150 nan 0.000 0.478 216 G N -0.414 108.107 108.800 -0.465 0.000 2.179 216 G HA2 -0.262 3.699 3.960 0.001 0.000 0.257 216 G HA3 -0.262 3.699 3.960 0.001 0.000 0.257 216 G C -0.013 174.560 174.900 -0.545 0.000 1.010 216 G CA 0.424 45.250 45.100 -0.457 0.000 0.736 216 G HN 0.550 nan 8.290 nan 0.000 0.513 217 D N -0.330 119.722 120.400 -0.580 0.000 2.524 217 D HA 0.457 5.098 4.640 0.001 0.000 0.222 217 D C 1.140 177.349 176.300 -0.152 0.000 1.142 217 D CA -0.789 53.103 54.000 -0.179 0.000 0.973 217 D CB -0.125 40.761 40.800 0.144 0.000 1.025 217 D HN 0.310 nan 8.370 nan 0.000 0.519 218 Y N 0.657 121.064 120.300 0.178 0.000 2.337 218 Y HA -0.074 4.476 4.550 -0.001 0.000 0.293 218 Y C 2.503 178.535 175.900 0.219 0.000 1.123 218 Y CA 0.591 58.790 58.100 0.165 0.000 1.201 218 Y CB -0.303 38.226 38.460 0.115 0.000 1.011 218 Y HN 0.221 nan 8.280 nan 0.000 0.545 219 T N 0.666 115.452 114.554 0.388 0.000 2.635 219 T HA -0.268 4.083 4.350 0.001 0.000 0.267 219 T C 1.651 176.628 174.700 0.461 0.000 1.040 219 T CA 1.950 64.302 62.100 0.419 0.000 1.156 219 T CB -0.701 68.415 68.868 0.414 0.000 0.863 219 T HN 0.319 nan 8.240 nan 0.000 0.430 220 F N 1.787 121.918 119.950 0.303 0.000 2.113 220 F HA 0.107 4.635 4.527 0.001 0.000 0.297 220 F C 2.447 178.321 175.800 0.124 0.000 1.103 220 F CA 0.883 59.020 58.000 0.229 0.000 1.248 220 F CB -0.787 38.367 39.000 0.256 0.000 0.999 220 F HN 0.136 nan 8.300 nan 0.000 0.475 221 A N 0.149 123.078 122.820 0.181 0.000 1.877 221 A HA -0.274 4.046 4.320 0.001 0.000 0.216 221 A C 2.029 179.606 177.584 -0.011 0.000 1.186 221 A CA 2.060 54.114 52.037 0.028 0.000 0.620 221 A CB -1.287 17.767 19.000 0.089 0.000 0.822 221 A HN 0.547 nan 8.150 nan 0.000 0.443 222 N N -0.538 118.219 118.700 0.094 0.000 2.188 222 N HA -0.128 4.612 4.740 0.001 0.000 0.184 222 N C 1.561 177.068 175.510 -0.004 0.000 1.018 222 N CA 1.447 54.547 53.050 0.083 0.000 0.858 222 N CB -0.294 38.287 38.487 0.158 0.000 0.989 222 N HN 0.375 nan 8.380 nan 0.000 0.426 223 L N 1.094 122.285 121.223 -0.053 0.000 2.005 223 L HA 0.002 4.342 4.340 0.001 0.000 0.207 223 L C 1.973 178.701 176.870 -0.236 0.000 1.072 223 L CA 1.570 56.285 54.840 -0.208 0.000 0.744 223 L CB -0.754 41.071 42.059 -0.390 0.000 0.895 223 L HN 0.438 nan 8.230 nan 0.000 0.433 224 I N -2.229 118.144 120.570 -0.327 0.000 2.546 224 I HA -0.087 4.084 4.170 0.001 0.000 0.255 224 I C 2.316 178.392 176.117 -0.067 0.000 1.163 224 I CA 1.230 62.422 61.300 -0.181 0.000 1.457 224 I CB -0.912 36.806 38.000 -0.470 0.000 1.092 224 I HN 0.413 nan 8.210 nan 0.000 0.434 225 S N 0.684 116.323 115.700 -0.100 0.000 2.383 225 S HA -0.175 4.296 4.470 0.001 0.000 0.227 225 S C 2.178 176.739 174.600 -0.065 0.000 1.026 225 S CA 1.276 59.441 58.200 -0.059 0.000 0.981 225 S CB -0.668 62.521 63.200 -0.017 0.000 0.818 225 S HN 0.572 nan 8.310 nan 0.000 0.472 226 S N 1.635 117.294 115.700 -0.068 0.000 2.370 226 S HA -0.018 4.453 4.470 0.001 0.000 0.226 226 S C 1.780 176.318 174.600 -0.103 0.000 1.033 226 S CA 1.271 59.433 58.200 -0.064 0.000 1.011 226 S CB -0.709 62.460 63.200 -0.051 0.000 0.852 226 S HN 0.602 nan 8.310 nan 0.000 0.457 227 I N 0.993 121.451 120.570 -0.185 0.000 2.208 227 I HA -0.191 3.979 4.170 0.001 0.000 0.245 227 I C 2.740 178.615 176.117 -0.403 0.000 1.097 227 I CA 1.593 62.651 61.300 -0.403 0.000 1.363 227 I CB -0.307 37.359 38.000 -0.557 0.000 1.051 227 I HN 0.377 nan 8.210 nan 0.000 0.413 228 Q N 0.534 120.143 119.800 -0.318 0.000 2.297 228 Q HA -0.158 4.183 4.340 0.001 0.000 0.204 228 Q C 2.134 178.024 176.000 -0.184 0.000 0.962 228 Q CA 1.955 57.574 55.803 -0.308 0.000 0.879 228 Q CB -0.325 28.260 28.738 -0.255 0.000 0.947 228 Q HN 0.621 nan 8.270 nan 0.000 0.462 229 T N -2.007 112.481 114.554 -0.110 0.000 2.803 229 T HA -0.174 4.176 4.350 0.001 0.000 0.269 229 T C 1.193 175.832 174.700 -0.103 0.000 1.052 229 T CA 1.485 63.547 62.100 -0.064 0.000 1.136 229 T CB -0.312 68.543 68.868 -0.021 0.000 0.864 229 T HN 0.235 nan 8.240 nan 0.000 0.467 230 D N 1.208 121.567 120.400 -0.068 0.000 2.097 230 D HA -0.052 4.589 4.640 0.001 0.000 0.197 230 D C 2.128 178.223 176.300 -0.342 0.000 0.984 230 D CA 1.424 55.395 54.000 -0.048 0.000 0.826 230 D CB -0.433 40.523 40.800 0.259 0.000 0.973 230 D HN 0.586 nan 8.370 nan 0.000 0.460 231 E N 0.835 120.800 120.200 -0.392 0.000 2.085 231 E HA -0.134 4.217 4.350 0.001 0.000 0.194 231 E C 1.974 178.263 176.600 -0.519 0.000 0.994 231 E CA 1.227 57.203 56.400 -0.706 0.000 0.801 231 E CB 0.023 29.506 29.700 -0.362 0.000 0.743 231 E HN -0.056 nan 8.360 nan 0.000 0.453 232 S N -0.233 115.288 115.700 -0.297 0.000 2.419 232 S HA -0.167 4.304 4.470 0.001 0.000 0.233 232 S C 1.779 176.243 174.600 -0.228 0.000 1.016 232 S CA 1.237 59.350 58.200 -0.145 0.000 0.974 232 S CB -0.238 62.963 63.200 0.002 0.000 0.786 232 S HN 0.293 nan 8.310 nan 0.000 0.492 233 R N 1.121 121.296 120.500 -0.542 0.000 2.052 233 R HA -0.045 4.295 4.340 0.001 0.000 0.226 233 R C 2.376 178.482 176.300 -0.325 0.000 1.145 233 R CA 1.490 57.057 56.100 -0.888 0.000 0.952 233 R CB -0.483 29.221 30.300 -0.994 0.000 0.847 233 R HN 0.699 nan 8.270 nan 0.000 0.431 234 H N -1.435 117.560 119.070 -0.124 0.000 2.529 234 H HA 0.184 4.741 4.556 0.001 0.000 0.277 234 H C 1.452 176.782 175.328 0.003 0.000 0.999 234 H CA 0.624 56.661 56.048 -0.018 0.000 1.256 234 H CB 0.097 29.869 29.762 0.017 0.000 1.402 234 H HN 0.338 nan 8.280 nan 0.000 0.566 235 A N 1.396 124.209 122.820 -0.012 0.000 2.121 235 A HA -0.094 4.227 4.320 0.001 0.000 0.218 235 A C 2.019 179.606 177.584 0.006 0.000 1.154 235 A CA 0.593 52.648 52.037 0.030 0.000 0.679 235 A CB -0.164 18.816 19.000 -0.033 0.000 0.795 235 A HN 0.271 nan 8.150 nan 0.000 0.458 236 Q N -0.198 119.631 119.800 0.049 0.000 2.466 236 Q HA -0.021 4.320 4.340 0.001 0.000 0.210 236 Q C 1.347 177.406 176.000 0.100 0.000 0.961 236 Q CA 0.540 56.397 55.803 0.089 0.000 0.953 236 Q CB -0.106 28.730 28.738 0.162 0.000 1.011 236 Q HN 0.800 nan 8.270 nan 0.000 0.516 237 Q N -1.083 118.793 119.800 0.127 0.000 2.369 237 Q HA -0.038 4.303 4.340 0.001 0.000 0.206 237 Q C 1.798 177.905 176.000 0.178 0.000 0.963 237 Q CA 0.949 56.886 55.803 0.223 0.000 0.894 237 Q CB 0.105 28.986 28.738 0.239 0.000 0.965 237 Q HN 0.420 nan 8.270 nan 0.000 0.475 238 G N 0.387 109.181 108.800 -0.011 0.000 2.394 238 G HA2 -0.181 3.780 3.960 0.001 0.000 0.214 238 G HA3 -0.181 3.780 3.960 0.001 0.000 0.214 238 G C 1.326 176.314 174.900 0.146 0.000 1.176 238 G CA 0.640 45.659 45.100 -0.135 0.000 0.786 238 G HN 0.455 nan 8.290 nan 0.000 0.533 239 G N 1.716 110.650 108.800 0.223 0.000 2.476 239 G HA2 -0.133 3.828 3.960 0.001 0.000 0.218 239 G HA3 -0.133 3.828 3.960 0.001 0.000 0.218 239 G C 0.148 175.135 174.900 0.145 0.000 1.164 239 G CA 1.364 46.669 45.100 0.342 0.000 0.768 239 G HN 0.452 nan 8.290 nan 0.000 0.560 240 P HA 0.074 nan 4.420 nan 0.000 0.219 240 P C 2.020 179.349 177.300 0.048 0.000 1.150 240 P CA 1.622 64.607 63.100 -0.191 0.000 0.814 240 P CB -0.086 31.120 31.700 -0.824 0.000 0.787 241 A N 0.023 123.013 122.820 0.282 0.000 1.873 241 A HA -0.156 4.165 4.320 0.001 0.000 0.215 241 A C 2.136 179.899 177.584 0.299 0.000 1.186 241 A CA 1.432 53.741 52.037 0.453 0.000 0.616 241 A CB -1.671 17.619 19.000 0.483 0.000 0.823 241 A HN 0.169 nan 8.150 nan 0.000 0.442 242 L N 0.064 121.460 121.223 0.288 0.000 2.042 242 L HA -0.230 4.111 4.340 0.001 0.000 0.210 242 L C 2.536 179.474 176.870 0.113 0.000 1.076 242 L CA 2.784 57.765 54.840 0.234 0.000 0.749 242 L CB -0.744 41.500 42.059 0.308 0.000 0.893 242 L HN 0.634 nan 8.230 nan 0.000 0.432 243 Q N -0.782 119.069 119.800 0.084 0.000 2.084 243 Q HA -0.212 4.128 4.340 0.001 0.000 0.202 243 Q C 2.307 178.299 176.000 -0.014 0.000 0.978 243 Q CA 1.998 57.812 55.803 0.019 0.000 0.844 243 Q CB -0.242 28.495 28.738 -0.001 0.000 0.898 243 Q HN 0.627 nan 8.270 nan 0.000 0.426 244 L N 0.380 121.594 121.223 -0.016 0.000 2.083 244 L HA -0.203 4.137 4.340 0.001 0.000 0.209 244 L C 2.398 179.174 176.870 -0.157 0.000 1.083 244 L CA 0.872 55.629 54.840 -0.139 0.000 0.752 244 L CB -0.222 41.676 42.059 -0.268 0.000 0.899 244 L HN 0.322 nan 8.230 nan 0.000 0.433 245 L N -0.838 120.355 121.223 -0.050 0.000 2.093 245 L HA -0.217 4.123 4.340 0.001 0.000 0.208 245 L C 2.405 179.262 176.870 -0.021 0.000 1.085 245 L CA 1.209 56.039 54.840 -0.017 0.000 0.755 245 L CB -0.357 41.755 42.059 0.088 0.000 0.904 245 L HN 0.211 nan 8.230 nan 0.000 0.435 246 I N -0.168 120.395 120.570 -0.012 0.000 2.179 246 I HA -0.271 3.900 4.170 0.001 0.000 0.242 246 I C 2.356 178.449 176.117 -0.040 0.000 1.088 246 I CA 1.364 62.652 61.300 -0.020 0.000 1.357 246 I CB -0.269 37.719 38.000 -0.020 0.000 1.051 246 I HN 0.261 nan 8.210 nan 0.000 0.409 247 E N 0.598 120.763 120.200 -0.059 0.000 2.265 247 E HA -0.198 4.153 4.350 0.001 0.000 0.196 247 E C 0.761 177.314 176.600 -0.079 0.000 0.996 247 E CA 1.034 57.392 56.400 -0.069 0.000 0.832 247 E CB -0.176 29.474 29.700 -0.084 0.000 0.756 247 E HN 0.520 nan 8.360 nan 0.000 0.491 248 N N -1.028 117.615 118.700 -0.095 0.000 2.321 248 N HA 0.159 4.899 4.740 0.001 0.000 0.242 248 N C 0.038 175.519 175.510 -0.049 0.000 1.141 248 N CA 0.380 53.374 53.050 -0.093 0.000 0.864 248 N CB 1.633 40.023 38.487 -0.161 0.000 1.100 248 N HN 0.157 nan 8.380 nan 0.000 0.510 249 G N 0.755 109.535 108.800 -0.033 0.000 2.132 249 G HA2 -0.243 3.718 3.960 0.001 0.000 0.234 249 G HA3 -0.243 3.718 3.960 0.001 0.000 0.234 249 G C 0.454 175.355 174.900 0.001 0.000 0.989 249 G CA -0.166 44.925 45.100 -0.015 0.000 0.676 249 G HN 0.179 nan 8.290 nan 0.000 0.522 250 K N 0.032 120.436 120.400 0.006 0.000 2.618 250 K HA 0.292 4.612 4.320 0.001 0.000 0.207 250 K C 1.713 178.334 176.600 0.036 0.000 1.058 250 K CA -0.169 56.136 56.287 0.029 0.000 1.086 250 K CB 0.441 32.969 32.500 0.047 0.000 0.827 250 K HN 0.521 nan 8.250 nan 0.000 0.481 251 R N 1.501 122.013 120.500 0.020 0.000 2.091 251 R HA -0.169 4.172 4.340 0.001 0.000 0.238 251 R C 0.938 177.260 176.300 0.038 0.000 1.136 251 R CA 1.767 57.879 56.100 0.020 0.000 0.959 251 R CB 0.298 30.599 30.300 0.002 0.000 0.856 251 R HN -0.012 nan 8.270 nan 0.000 0.437 252 E N 0.465 120.689 120.200 0.040 0.000 2.077 252 E HA -0.165 4.185 4.350 0.001 0.000 0.193 252 E C 1.852 178.503 176.600 0.085 0.000 0.989 252 E CA 1.644 58.078 56.400 0.057 0.000 0.800 252 E CB -0.014 29.715 29.700 0.048 0.000 0.746 252 E HN 0.391 nan 8.360 nan 0.000 0.452 253 E N 0.150 120.396 120.200 0.076 0.000 2.077 253 E HA -0.122 4.229 4.350 0.001 0.000 0.193 253 E C 1.868 178.536 176.600 0.114 0.000 0.989 253 E CA 1.256 57.709 56.400 0.088 0.000 0.800 253 E CB -0.354 29.389 29.700 0.072 0.000 0.746 253 E HN 0.295 nan 8.360 nan 0.000 0.452 254 A N 0.702 123.587 122.820 0.107 0.000 1.873 254 A HA -0.274 4.046 4.320 0.001 0.000 0.215 254 A C 2.222 179.888 177.584 0.137 0.000 1.186 254 A CA 1.781 53.895 52.037 0.128 0.000 0.616 254 A CB -0.664 18.404 19.000 0.112 0.000 0.823 254 A HN 0.215 nan 8.150 nan 0.000 0.442 255 Q N 0.305 120.170 119.800 0.108 0.000 2.096 255 Q HA -0.247 4.094 4.340 0.001 0.000 0.208 255 Q C 2.081 178.208 176.000 0.212 0.000 0.993 255 Q CA 2.636 58.507 55.803 0.112 0.000 0.862 255 Q CB -0.317 28.469 28.738 0.080 0.000 0.915 255 Q HN 0.660 nan 8.270 nan 0.000 0.416 256 K N -0.178 120.376 120.400 0.257 0.000 2.057 256 K HA -0.178 4.143 4.320 0.001 0.000 0.207 256 K C 1.938 178.764 176.600 0.376 0.000 1.049 256 K CA 1.495 58.024 56.287 0.403 0.000 0.931 256 K CB -0.052 32.636 32.500 0.313 0.000 0.714 256 K HN 0.156 nan 8.250 nan 0.000 0.440 257 K N 0.237 120.791 120.400 0.257 0.000 2.057 257 K HA -0.094 4.227 4.320 0.001 0.000 0.207 257 K C 2.060 178.846 176.600 0.309 0.000 1.049 257 K CA 1.338 57.772 56.287 0.244 0.000 0.931 257 K CB 0.017 32.633 32.500 0.193 0.000 0.714 257 K HN 0.004 nan 8.250 nan 0.000 0.440 258 V N 1.854 121.950 119.914 0.303 0.000 2.323 258 V HA -0.218 3.903 4.120 0.001 0.000 0.244 258 V C 1.624 177.940 176.094 0.370 0.000 1.041 258 V CA 1.780 64.277 62.300 0.328 0.000 1.025 258 V CB -0.422 31.532 31.823 0.217 0.000 0.656 258 V HN 0.252 nan 8.190 nan 0.000 0.451 259 D N -0.100 120.513 120.400 0.355 0.000 2.133 259 D HA -0.243 4.397 4.640 0.001 0.000 0.192 259 D C 2.141 178.847 176.300 0.677 0.000 1.001 259 D CA 1.758 56.018 54.000 0.433 0.000 0.844 259 D CB -0.302 40.736 40.800 0.396 0.000 0.944 259 D HN 0.339 nan 8.370 nan 0.000 0.447 260 M N 0.462 120.478 119.600 0.693 0.000 2.073 260 M HA -0.203 4.278 4.480 0.001 0.000 0.258 260 M C 2.271 178.890 176.300 0.531 0.000 1.070 260 M CA 2.029 57.708 55.300 0.632 0.000 1.103 260 M CB -0.199 32.642 32.600 0.402 0.000 1.321 260 M HN 0.025 nan 8.290 nan 0.000 0.405 261 A N -0.102 123.001 122.820 0.471 0.000 1.930 261 A HA -0.100 4.221 4.320 0.001 0.000 0.217 261 A C 2.080 179.995 177.584 0.551 0.000 1.175 261 A CA 1.374 53.691 52.037 0.468 0.000 0.627 261 A CB -0.926 18.323 19.000 0.416 0.000 0.815 261 A HN 0.487 nan 8.150 nan 0.000 0.443 262 I N -1.789 119.114 120.570 0.555 0.000 2.226 262 I HA -0.263 3.908 4.170 0.001 0.000 0.245 262 I C 2.534 178.920 176.117 0.448 0.000 1.100 262 I CA 1.247 62.884 61.300 0.561 0.000 1.374 262 I CB -0.288 38.053 38.000 0.569 0.000 1.057 262 I HN 0.696 nan 8.210 nan 0.000 0.413 263 W N 2.344 123.792 121.300 0.247 0.000 2.381 263 W HA -0.154 4.508 4.660 0.002 0.000 0.301 263 W C 2.572 179.220 176.519 0.215 0.000 1.205 263 W CA 1.302 58.694 57.345 0.080 0.000 1.285 263 W CB -0.168 29.175 29.460 -0.195 0.000 1.133 263 W HN 0.082 nan 8.180 nan 0.000 0.521 264 R N 0.235 120.983 120.500 0.413 0.000 2.096 264 R HA -0.131 4.210 4.340 0.001 0.000 0.235 264 R C 2.394 178.787 176.300 0.154 0.000 1.127 264 R CA 1.489 57.813 56.100 0.374 0.000 0.968 264 R CB -0.999 29.635 30.300 0.557 0.000 0.861 264 R HN 0.130 nan 8.270 nan 0.000 0.440 265 A N 1.645 124.570 122.820 0.175 0.000 1.883 265 A HA -0.206 4.114 4.320 0.001 0.000 0.217 265 A C 1.945 179.183 177.584 -0.576 0.000 1.186 265 A CA 1.250 53.100 52.037 -0.312 0.000 0.624 265 A CB -1.120 17.952 19.000 0.120 0.000 0.822 265 A HN 0.693 nan 8.150 nan 0.000 0.444 266 W N 0.765 121.586 121.300 -0.799 0.000 2.335 266 W HA -0.224 4.436 4.660 0.000 0.000 0.311 266 W C 2.025 178.249 176.519 -0.492 0.000 1.213 266 W CA 1.701 58.512 57.345 -0.890 0.000 1.274 266 W CB -0.239 28.913 29.460 -0.513 0.000 1.148 266 W HN 0.223 nan 8.180 nan 0.000 0.498 267 R N 0.709 120.727 120.500 -0.802 0.000 2.081 267 R HA -0.189 4.152 4.340 0.001 0.000 0.235 267 R C 2.213 178.249 176.300 -0.440 0.000 1.131 267 R CA 1.484 57.196 56.100 -0.647 0.000 0.960 267 R CB -1.599 28.537 30.300 -0.273 0.000 0.856 267 R HN 0.356 nan 8.270 nan 0.000 0.436 268 L N -0.004 120.940 121.223 -0.466 0.000 2.046 268 L HA -0.047 4.294 4.340 0.001 0.000 0.208 268 L C 1.876 178.363 176.870 -0.639 0.000 1.077 268 L CA 1.672 56.171 54.840 -0.568 0.000 0.747 268 L CB -0.516 41.060 42.059 -0.805 0.000 0.896 268 L HN -0.037 nan 8.230 nan 0.000 0.432 269 F N -0.532 119.122 119.950 -0.493 0.000 2.661 269 F HA 0.121 4.648 4.527 0.000 0.000 0.298 269 F C 2.333 178.020 175.800 -0.188 0.000 1.137 269 F CA 0.697 58.533 58.000 -0.272 0.000 1.454 269 F CB -0.722 38.172 39.000 -0.178 0.000 1.103 269 F HN 0.179 nan 8.300 nan 0.000 0.577 270 A N -0.779 121.879 122.820 -0.270 0.000 1.968 270 A HA -0.078 4.243 4.320 0.001 0.000 0.217 270 A C 2.263 179.783 177.584 -0.107 0.000 1.169 270 A CA 1.520 53.382 52.037 -0.291 0.000 0.638 270 A CB -0.899 17.627 19.000 -0.791 0.000 0.812 270 A HN 0.215 nan 8.150 nan 0.000 0.446 271 V N -0.829 119.016 119.914 -0.115 0.000 3.052 271 V HA -0.002 4.119 4.120 0.001 0.000 0.254 271 V C 2.060 178.034 176.094 -0.200 0.000 1.100 271 V CA 1.619 63.844 62.300 -0.125 0.000 1.112 271 V CB 0.209 31.825 31.823 -0.344 0.000 0.738 271 V HN 0.552 nan 8.190 nan 0.000 0.469 272 L N -0.412 120.628 121.223 -0.306 0.000 2.189 272 L HA 0.089 4.430 4.340 0.001 0.000 0.199 272 L C 2.286 178.976 176.870 -0.300 0.000 1.074 272 L CA 2.594 57.218 54.840 -0.360 0.000 0.783 272 L CB -0.496 41.285 42.059 -0.464 0.000 0.955 272 L HN 0.297 nan 8.230 nan 0.000 0.460 273 T N -0.918 113.521 114.554 -0.191 0.000 3.031 273 T HA 0.159 4.510 4.350 0.001 0.000 0.254 273 T C 1.639 176.112 174.700 -0.378 0.000 1.060 273 T CA 0.568 62.600 62.100 -0.114 0.000 1.135 273 T CB -0.418 68.598 68.868 0.247 0.000 0.896 273 T HN 0.475 nan 8.240 nan 0.000 0.472 274 G N 2.727 111.053 108.800 -0.789 0.000 2.433 274 G HA2 -0.105 3.855 3.960 0.001 0.000 0.216 274 G HA3 -0.105 3.855 3.960 0.001 0.000 0.216 274 G C -0.765 173.880 174.900 -0.424 0.000 1.186 274 G CA 0.529 44.831 45.100 -1.329 0.000 0.779 274 G HN 0.390 nan 8.290 nan 0.000 0.543 275 P HA -0.026 nan 4.420 nan 0.000 0.217 275 P C 2.150 179.084 177.300 -0.610 0.000 1.150 275 P CA 0.598 63.544 63.100 -0.257 0.000 0.832 275 P CB -0.076 31.470 31.700 -0.258 0.000 0.787 276 V N -0.798 118.691 119.914 -0.708 0.000 2.287 276 V HA -0.272 3.848 4.120 0.001 0.000 0.248 276 V C 2.359 178.388 176.094 -0.108 0.000 1.053 276 V CA 2.049 64.076 62.300 -0.454 0.000 1.027 276 V CB -1.025 30.622 31.823 -0.294 0.000 0.646 276 V HN 0.118 nan 8.190 nan 0.000 0.447 277 M N -0.906 118.673 119.600 -0.036 0.000 2.349 277 M HA -0.058 4.422 4.480 0.001 0.000 0.266 277 M C 1.275 177.646 176.300 0.118 0.000 1.076 277 M CA 1.295 56.683 55.300 0.146 0.000 1.126 277 M CB -0.206 32.604 32.600 0.351 0.000 1.392 277 M HN 0.275 nan 8.290 nan 0.000 0.440 278 D N -1.819 118.610 120.400 0.049 0.000 2.417 278 D HA 0.070 4.710 4.640 0.001 0.000 0.207 278 D C 0.714 176.714 176.300 -0.501 0.000 1.075 278 D CA 0.758 54.739 54.000 -0.031 0.000 0.851 278 D CB 0.502 41.356 40.800 0.090 0.000 0.976 278 D HN 0.302 nan 8.370 nan 0.000 0.505 279 Y N -1.927 118.282 120.300 -0.151 0.000 2.965 279 Y HA 0.175 4.725 4.550 0.001 0.000 0.242 279 Y C 1.704 177.656 175.900 0.087 0.000 1.078 279 Y CA -0.259 57.726 58.100 -0.191 0.000 1.288 279 Y CB 0.101 38.207 38.460 -0.590 0.000 1.459 279 Y HN -0.075 nan 8.280 nan 0.000 0.438 280 Y N 0.257 120.610 120.300 0.088 0.000 2.220 280 Y HA -0.057 4.494 4.550 0.000 0.000 0.291 280 Y C 0.794 176.752 175.900 0.096 0.000 1.129 280 Y CA 0.683 58.842 58.100 0.098 0.000 1.161 280 Y CB -0.332 38.167 38.460 0.066 0.000 0.997 280 Y HN -0.143 nan 8.280 nan 0.000 0.522 281 T N 3.970 118.666 114.554 0.236 0.000 2.853 281 T HA 0.084 4.435 4.350 0.001 0.000 0.298 281 T C -2.385 172.341 174.700 0.043 0.000 0.978 281 T CA -1.130 61.095 62.100 0.209 0.000 1.152 281 T CB 0.670 69.649 68.868 0.184 0.000 0.914 281 T HN -0.065 nan 8.240 nan 0.000 0.539 282 P HA 0.003 nan 4.420 nan 0.000 0.264 282 P C 1.020 178.210 177.300 -0.183 0.000 1.183 282 P CA -0.375 62.690 63.100 -0.058 0.000 0.763 282 P CB 0.419 32.095 31.700 -0.039 0.000 0.807 283 L N 4.800 125.868 121.223 -0.258 0.000 1.991 283 L HA -0.295 4.046 4.340 0.001 0.000 0.221 283 L C 1.693 178.357 176.870 -0.344 0.000 1.079 283 L CA 2.206 56.799 54.840 -0.411 0.000 0.778 283 L CB -1.408 40.443 42.059 -0.346 0.000 0.893 283 L HN 0.356 nan 8.230 nan 0.000 0.437 284 E N -0.564 119.508 120.200 -0.214 0.000 2.331 284 E HA -0.177 4.174 4.350 0.001 0.000 0.199 284 E C 1.257 177.771 176.600 -0.144 0.000 1.008 284 E CA 1.297 57.603 56.400 -0.155 0.000 0.843 284 E CB -0.465 29.170 29.700 -0.108 0.000 0.761 284 E HN 0.585 nan 8.360 nan 0.000 0.507 285 D N 0.269 120.571 120.400 -0.163 0.000 2.342 285 D HA 0.042 4.683 4.640 0.001 0.000 0.221 285 D C -0.155 176.086 176.300 -0.097 0.000 1.101 285 D CA 0.029 53.943 54.000 -0.143 0.000 0.837 285 D CB 0.151 40.834 40.800 -0.196 0.000 0.938 285 D HN 0.073 nan 8.370 nan 0.000 0.508 286 R N 0.914 121.325 120.500 -0.148 0.000 2.608 286 R HA 0.133 4.473 4.340 0.001 0.000 0.277 286 R C 1.391 177.703 176.300 0.020 0.000 1.341 286 R CA -0.085 55.956 56.100 -0.097 0.000 1.199 286 R CB 0.610 30.666 30.300 -0.406 0.000 1.156 286 R HN -0.135 nan 8.270 nan 0.000 0.558 287 S N 2.440 118.202 115.700 0.105 0.000 2.370 287 S HA -0.146 4.324 4.470 0.001 0.000 0.226 287 S C 0.502 175.070 174.600 -0.053 0.000 1.033 287 S CA 1.467 59.718 58.200 0.085 0.000 1.011 287 S CB 0.315 63.660 63.200 0.241 0.000 0.852 287 S HN 0.585 nan 8.310 nan 0.000 0.457 288 Q N -0.310 119.381 119.800 -0.181 0.000 2.565 288 Q HA 0.394 4.735 4.340 0.001 0.000 0.294 288 Q C -0.923 175.088 176.000 0.018 0.000 1.005 288 Q CA -0.639 54.982 55.803 -0.303 0.000 0.771 288 Q CB 2.015 30.229 28.738 -0.873 0.000 1.486 288 Q HN 0.420 nan 8.270 nan 0.000 0.422 289 S N -0.411 115.358 115.700 0.116 0.000 2.600 289 S HA 0.160 4.630 4.470 0.001 0.000 0.265 289 S C 0.727 175.552 174.600 0.375 0.000 1.325 289 S CA -0.461 57.947 58.200 0.346 0.000 1.002 289 S CB 0.343 63.553 63.200 0.017 0.000 0.921 289 S HN 0.654 nan 8.310 nan 0.000 0.554 290 F N 1.943 122.093 119.950 0.334 0.000 2.091 290 F HA -0.124 4.403 4.527 0.000 0.000 0.299 290 F C 2.411 178.341 175.800 0.217 0.000 1.103 290 F CA 2.291 60.447 58.000 0.259 0.000 1.228 290 F CB -0.613 38.377 39.000 -0.016 0.000 0.984 290 F HN 0.851 nan 8.300 nan 0.000 0.477 291 K N 0.228 120.711 120.400 0.139 0.000 2.057 291 K HA -0.208 4.113 4.320 0.001 0.000 0.207 291 K C 1.959 178.517 176.600 -0.071 0.000 1.049 291 K CA 2.000 58.266 56.287 -0.035 0.000 0.931 291 K CB -0.344 32.151 32.500 -0.009 0.000 0.714 291 K HN 0.410 nan 8.250 nan 0.000 0.440 292 E N -0.250 119.881 120.200 -0.115 0.000 2.072 292 E HA -0.150 4.201 4.350 0.001 0.000 0.191 292 E C 1.855 178.451 176.600 -0.006 0.000 0.985 292 E CA 1.380 57.690 56.400 -0.151 0.000 0.801 292 E CB -0.185 29.363 29.700 -0.254 0.000 0.750 292 E HN 0.330 nan 8.360 nan 0.000 0.452 293 F N 0.285 120.293 119.950 0.097 0.000 2.126 293 F HA -0.248 4.279 4.527 0.000 0.000 0.299 293 F C 2.461 178.373 175.800 0.187 0.000 1.096 293 F CA 0.440 58.566 58.000 0.210 0.000 1.255 293 F CB -0.027 39.139 39.000 0.276 0.000 0.997 293 F HN 0.062 nan 8.300 nan 0.000 0.479 294 M N -0.946 118.776 119.600 0.204 0.000 2.086 294 M HA -0.254 4.227 4.480 0.001 0.000 0.261 294 M C 2.126 178.497 176.300 0.117 0.000 1.067 294 M CA 1.820 57.155 55.300 0.058 0.000 1.116 294 M CB -1.421 31.080 32.600 -0.166 0.000 1.348 294 M HN 0.224 nan 8.290 nan 0.000 0.407 295 Y N 0.316 120.576 120.300 -0.066 0.000 2.274 295 Y HA -0.251 4.300 4.550 0.002 0.000 0.290 295 Y C 2.644 178.526 175.900 -0.029 0.000 1.145 295 Y CA 1.531 59.597 58.100 -0.057 0.000 1.203 295 Y CB -0.195 38.211 38.460 -0.090 0.000 0.984 295 Y HN 0.400 nan 8.280 nan 0.000 0.533 296 E N -0.494 119.768 120.200 0.104 0.000 2.015 296 E HA -0.223 4.127 4.350 0.001 0.000 0.191 296 E C 1.701 178.225 176.600 -0.127 0.000 0.991 296 E CA 1.629 57.980 56.400 -0.082 0.000 0.802 296 E CB -0.394 29.189 29.700 -0.194 0.000 0.759 296 E HN 0.496 nan 8.360 nan 0.000 0.447 297 W N 0.113 121.456 121.300 0.071 0.000 2.494 297 W HA 0.054 4.714 4.660 -0.000 0.000 0.286 297 W C 2.134 178.644 176.519 -0.014 0.000 1.218 297 W CA -0.246 57.107 57.345 0.013 0.000 1.313 297 W CB 0.209 29.645 29.460 -0.040 0.000 1.105 297 W HN 0.175 nan 8.180 nan 0.000 0.561 298 I N -0.686 119.989 120.570 0.176 0.000 2.810 298 I HA -0.035 4.136 4.170 0.001 0.000 0.262 298 I C 1.902 178.155 176.117 0.227 0.000 1.131 298 I CA 1.093 62.466 61.300 0.122 0.000 1.453 298 I CB -1.133 36.821 38.000 -0.077 0.000 1.161 298 I HN -0.014 nan 8.210 nan 0.000 0.444 299 I N 0.685 121.311 120.570 0.093 0.000 2.296 299 I HA -0.018 4.152 4.170 0.001 0.000 0.242 299 I C 2.627 178.783 176.117 0.066 0.000 1.087 299 I CA 1.328 62.680 61.300 0.086 0.000 1.393 299 I CB -0.921 36.967 38.000 -0.187 0.000 1.093 299 I HN 0.144 nan 8.210 nan 0.000 0.421 300 G N -0.007 108.805 108.800 0.020 0.000 2.402 300 G HA2 -0.242 3.719 3.960 0.001 0.000 0.216 300 G HA3 -0.242 3.719 3.960 0.001 0.000 0.216 300 G C 1.566 176.468 174.900 0.003 0.000 1.162 300 G CA 0.619 45.718 45.100 -0.002 0.000 0.777 300 G HN 0.388 nan 8.290 nan 0.000 0.539 301 Q N -1.399 118.425 119.800 0.040 0.000 2.252 301 Q HA 0.128 4.469 4.340 0.001 0.000 0.195 301 Q C 2.201 178.289 176.000 0.146 0.000 0.974 301 Q CA 0.097 55.941 55.803 0.069 0.000 0.846 301 Q CB -0.211 28.571 28.738 0.073 0.000 0.943 301 Q HN 0.287 nan 8.270 nan 0.000 0.516 302 F N 2.057 122.038 119.950 0.052 0.000 2.051 302 F HA -0.174 4.354 4.527 0.001 0.000 0.296 302 F C 2.168 177.983 175.800 0.025 0.000 1.122 302 F CA 2.204 60.236 58.000 0.054 0.000 1.201 302 F CB -0.430 38.588 39.000 0.030 0.000 0.978 302 F HN 0.212 nan 8.300 nan 0.000 0.472 303 E N 0.451 120.554 120.200 -0.162 0.000 2.160 303 E HA -0.248 4.102 4.350 0.001 0.000 0.195 303 E C 2.269 178.711 176.600 -0.263 0.000 0.991 303 E CA 1.363 57.577 56.400 -0.309 0.000 0.810 303 E CB -0.339 29.357 29.700 -0.007 0.000 0.742 303 E HN 0.285 nan 8.360 nan 0.000 0.466 304 R N 0.375 120.790 120.500 -0.141 0.000 2.075 304 R HA -0.074 4.267 4.340 0.001 0.000 0.232 304 R C 2.336 178.548 176.300 -0.146 0.000 1.126 304 R CA 2.005 58.025 56.100 -0.134 0.000 0.963 304 R CB -1.027 29.229 30.300 -0.074 0.000 0.858 304 R HN 0.279 nan 8.270 nan 0.000 0.435 305 S N 0.154 115.782 115.700 -0.119 0.000 2.383 305 S HA -0.141 4.330 4.470 0.001 0.000 0.229 305 S C 2.056 176.535 174.600 -0.202 0.000 1.030 305 S CA 1.448 59.590 58.200 -0.098 0.000 1.002 305 S CB -0.587 62.620 63.200 0.011 0.000 0.829 305 S HN 0.394 nan 8.310 nan 0.000 0.467 306 L N 0.528 121.536 121.223 -0.359 0.000 2.093 306 L HA 0.051 4.392 4.340 0.001 0.000 0.208 306 L C 2.607 179.281 176.870 -0.327 0.000 1.085 306 L CA 1.123 55.691 54.840 -0.454 0.000 0.755 306 L CB -0.578 41.124 42.059 -0.594 0.000 0.904 306 L HN 0.316 nan 8.230 nan 0.000 0.435 307 I N -0.019 120.383 120.570 -0.280 0.000 2.286 307 I HA -0.294 3.877 4.170 0.001 0.000 0.248 307 I C 2.010 178.024 176.117 -0.173 0.000 1.115 307 I CA 1.416 62.579 61.300 -0.227 0.000 1.392 307 I CB -0.238 37.626 38.000 -0.228 0.000 1.065 307 I HN 0.261 nan 8.210 nan 0.000 0.418 308 D N 0.794 121.103 120.400 -0.153 0.000 2.183 308 D HA -0.096 4.545 4.640 0.001 0.000 0.203 308 D C 2.106 178.345 176.300 -0.101 0.000 0.969 308 D CA 0.855 54.791 54.000 -0.108 0.000 0.842 308 D CB 0.060 40.812 40.800 -0.080 0.000 0.957 308 D HN 0.221 nan 8.370 nan 0.000 0.484 309 L N -1.222 119.926 121.223 -0.125 0.000 2.551 309 L HA 0.189 4.530 4.340 0.001 0.000 0.228 309 L C 1.657 178.460 176.870 -0.113 0.000 1.153 309 L CA 0.722 55.496 54.840 -0.109 0.000 0.851 309 L CB -0.014 41.957 42.059 -0.147 0.000 0.959 309 L HN 0.325 nan 8.230 nan 0.000 0.451 310 G N -0.684 108.038 108.800 -0.129 0.000 2.192 310 G HA2 -0.188 3.772 3.960 0.001 0.000 0.193 310 G HA3 -0.188 3.772 3.960 0.001 0.000 0.193 310 G C 0.160 174.985 174.900 -0.124 0.000 0.999 310 G CA -0.530 44.505 45.100 -0.109 0.000 0.659 310 G HN 0.124 nan 8.290 nan 0.000 0.503 311 L N 1.120 122.242 121.223 -0.168 0.000 2.439 311 L HA 0.510 4.851 4.340 0.001 0.000 0.259 311 L C 0.165 176.928 176.870 -0.179 0.000 1.129 311 L CA -0.953 53.788 54.840 -0.166 0.000 0.803 311 L CB 0.451 42.386 42.059 -0.208 0.000 1.161 311 L HN 0.024 nan 8.230 nan 0.000 0.462 312 D N 0.580 120.883 120.400 -0.162 0.000 2.340 312 D HA 0.188 4.829 4.640 0.001 0.000 0.251 312 D C -0.183 175.963 176.300 -0.258 0.000 1.080 312 D CA -0.503 53.382 54.000 -0.192 0.000 0.971 312 D CB 0.844 41.557 40.800 -0.145 0.000 1.137 312 D HN 0.271 nan 8.370 nan 0.000 0.475 313 K N 1.696 121.890 120.400 -0.342 0.000 2.527 313 K HA 0.045 4.366 4.320 0.001 0.000 0.278 313 K C -1.962 174.434 176.600 -0.340 0.000 0.981 313 K CA -0.617 55.394 56.287 -0.459 0.000 1.009 313 K CB -0.078 32.003 32.500 -0.698 0.000 0.895 313 K HN 0.290 nan 8.250 nan 0.000 0.493 314 P HA -0.115 nan 4.420 nan 0.000 0.270 314 P C 0.759 177.770 177.300 -0.481 0.000 1.223 314 P CA -0.168 62.590 63.100 -0.570 0.000 0.785 314 P CB 0.271 31.239 31.700 -1.220 0.000 0.923 315 W N 2.433 123.435 121.300 -0.498 0.000 2.421 315 W HA -0.166 4.495 4.660 0.002 0.000 0.270 315 W C 0.611 177.005 176.519 -0.209 0.000 1.233 315 W CA 0.541 57.694 57.345 -0.321 0.000 1.226 315 W CB -1.516 27.733 29.460 -0.352 0.000 1.121 315 W HN 0.326 nan 8.180 nan 0.000 0.579 316 Y N -2.971 116.918 120.300 -0.684 0.000 2.571 316 Y HA 0.257 4.808 4.550 0.001 0.000 0.275 316 Y C 2.118 177.930 175.900 -0.145 0.000 1.179 316 Y CA -2.254 55.426 58.100 -0.700 0.000 1.242 316 Y CB -1.674 35.903 38.460 -1.472 0.000 1.126 316 Y HN 0.072 nan 8.280 nan 0.000 0.524 317 W N 2.738 123.948 121.300 -0.150 0.000 2.290 317 W HA -0.300 4.361 4.660 0.001 0.000 0.328 317 W C 0.731 177.346 176.519 0.160 0.000 1.272 317 W CA 2.527 59.895 57.345 0.038 0.000 1.262 317 W CB -0.163 29.269 29.460 -0.047 0.000 1.151 317 W HN 0.243 nan 8.180 nan 0.000 0.473 318 D N 0.462 120.952 120.400 0.151 0.000 2.178 318 D HA -0.153 4.488 4.640 0.001 0.000 0.202 318 D C 2.273 178.590 176.300 0.028 0.000 0.974 318 D CA 1.454 55.462 54.000 0.013 0.000 0.841 318 D CB -0.602 40.260 40.800 0.103 0.000 0.953 318 D HN 0.303 nan 8.370 nan 0.000 0.478 319 L N 0.048 121.330 121.223 0.098 0.000 2.083 319 L HA -0.170 4.171 4.340 0.001 0.000 0.209 319 L C 2.413 179.419 176.870 0.226 0.000 1.083 319 L CA 0.741 55.656 54.840 0.125 0.000 0.752 319 L CB -0.432 41.646 42.059 0.032 0.000 0.899 319 L HN -0.024 nan 8.230 nan 0.000 0.433 320 F N 0.948 120.943 119.950 0.074 0.000 2.102 320 F HA -0.192 4.335 4.527 0.001 0.000 0.298 320 F C 2.181 177.809 175.800 -0.286 0.000 1.105 320 F CA 1.454 59.441 58.000 -0.021 0.000 1.239 320 F CB -0.395 38.597 39.000 -0.014 0.000 0.991 320 F HN -0.132 nan 8.300 nan 0.000 0.474 321 L N 0.311 121.197 121.223 -0.561 0.000 2.046 321 L HA -0.241 4.099 4.340 0.001 0.000 0.208 321 L C 2.581 179.307 176.870 -0.241 0.000 1.077 321 L CA 1.953 56.443 54.840 -0.584 0.000 0.747 321 L CB -0.891 40.878 42.059 -0.483 0.000 0.896 321 L HN 0.156 nan 8.230 nan 0.000 0.432 322 K N 0.301 120.651 120.400 -0.084 0.000 2.097 322 K HA -0.227 4.093 4.320 0.001 0.000 0.206 322 K C 1.697 178.371 176.600 0.123 0.000 1.049 322 K CA 1.740 58.057 56.287 0.050 0.000 0.933 322 K CB -0.032 32.523 32.500 0.093 0.000 0.717 322 K HN 0.112 nan 8.250 nan 0.000 0.442 323 D N 0.763 121.247 120.400 0.139 0.000 2.149 323 D HA -0.141 4.500 4.640 0.001 0.000 0.198 323 D C 1.738 178.239 176.300 0.334 0.000 0.990 323 D CA 1.033 55.225 54.000 0.320 0.000 0.839 323 D CB -0.010 41.115 40.800 0.540 0.000 0.948 323 D HN 0.278 nan 8.370 nan 0.000 0.460 324 I N 0.722 121.272 120.570 -0.034 0.000 2.264 324 I HA -0.235 3.936 4.170 0.001 0.000 0.248 324 I C 1.325 177.633 176.117 0.317 0.000 1.111 324 I CA 1.115 62.418 61.300 0.004 0.000 1.382 324 I CB -0.177 37.623 38.000 -0.333 0.000 1.060 324 I HN -0.015 nan 8.210 nan 0.000 0.418 325 D N 0.325 120.899 120.400 0.290 0.000 2.363 325 D HA -0.076 4.565 4.640 0.001 0.000 0.220 325 D C 1.523 178.094 176.300 0.451 0.000 0.994 325 D CA 0.878 55.140 54.000 0.437 0.000 0.890 325 D CB 0.221 41.239 40.800 0.363 0.000 0.906 325 D HN 0.569 nan 8.370 nan 0.000 0.530 326 E N -0.858 119.574 120.200 0.386 0.000 2.684 326 E HA 0.039 4.389 4.350 0.001 0.000 0.204 326 E C 1.593 178.323 176.600 0.217 0.000 0.900 326 E CA -0.352 56.300 56.400 0.419 0.000 1.481 326 E CB 0.026 30.018 29.700 0.486 0.000 1.468 326 E HN -0.091 nan 8.360 nan 0.000 0.778 327 L N 3.097 124.440 121.223 0.200 0.000 1.990 327 L HA -0.210 4.131 4.340 0.001 0.000 0.213 327 L C 2.589 179.291 176.870 -0.280 0.000 1.072 327 L CA 2.258 57.050 54.840 -0.081 0.000 0.755 327 L CB -0.570 41.409 42.059 -0.132 0.000 0.889 327 L HN 0.353 nan 8.230 nan 0.000 0.432 328 H N -2.734 116.170 119.070 -0.276 0.000 2.428 328 H HA -0.120 4.436 4.556 0.000 0.000 0.296 328 H C 1.979 177.204 175.328 -0.173 0.000 1.062 328 H CA 1.515 57.408 56.048 -0.259 0.000 1.350 328 H CB -0.980 28.563 29.762 -0.365 0.000 1.403 328 H HN 0.505 nan 8.280 nan 0.000 0.533 329 H N 0.993 119.542 119.070 -0.868 0.000 2.390 329 H HA -0.067 4.489 4.556 0.000 0.000 0.298 329 H C 2.074 177.175 175.328 -0.379 0.000 1.106 329 H CA 1.689 57.246 56.048 -0.818 0.000 1.297 329 H CB -0.019 28.598 29.762 -1.910 0.000 1.375 329 H HN 0.384 nan 8.280 nan 0.000 0.509 330 S N -0.215 115.475 115.700 -0.015 0.000 2.439 330 S HA -0.032 4.438 4.470 0.001 0.000 0.224 330 S C 1.835 176.593 174.600 0.264 0.000 1.029 330 S CA -0.071 58.279 58.200 0.250 0.000 0.946 330 S CB 0.005 63.406 63.200 0.335 0.000 0.797 330 S HN 0.303 nan 8.310 nan 0.000 0.504 331 Y N 1.700 122.042 120.300 0.069 0.000 2.165 331 Y HA -0.151 4.399 4.550 0.000 0.000 0.286 331 Y C 2.485 178.462 175.900 0.129 0.000 1.155 331 Y CA 1.189 59.328 58.100 0.064 0.000 1.164 331 Y CB -1.365 37.103 38.460 0.014 0.000 0.978 331 Y HN 0.449 nan 8.280 nan 0.000 0.513 332 H N -0.387 118.791 119.070 0.181 0.000 2.290 332 H HA -0.209 4.347 4.556 0.001 0.000 0.298 332 H C 2.412 177.903 175.328 0.272 0.000 1.087 332 H CA 2.330 58.456 56.048 0.130 0.000 1.291 332 H CB -0.461 29.163 29.762 -0.229 0.000 1.369 332 H HN 0.276 nan 8.280 nan 0.000 0.492 333 M N -0.367 119.281 119.600 0.079 0.000 2.108 333 M HA -0.121 4.360 4.480 0.001 0.000 0.261 333 M C 2.373 178.794 176.300 0.202 0.000 1.066 333 M CA 2.134 57.462 55.300 0.046 0.000 1.107 333 M CB -0.329 32.274 32.600 0.004 0.000 1.356 333 M HN 0.481 nan 8.290 nan 0.000 0.406 334 G N -0.826 108.104 108.800 0.216 0.000 2.404 334 G HA2 -0.145 3.816 3.960 0.001 0.000 0.215 334 G HA3 -0.145 3.816 3.960 0.001 0.000 0.215 334 G C 1.304 176.385 174.900 0.300 0.000 1.174 334 G CA 0.872 46.123 45.100 0.252 0.000 0.780 334 G HN 0.388 nan 8.290 nan 0.000 0.537 335 V N -0.339 119.732 119.914 0.262 0.000 2.332 335 V HA -0.197 3.923 4.120 0.001 0.000 0.248 335 V C 2.257 178.462 176.094 0.186 0.000 1.055 335 V CA 1.993 64.477 62.300 0.307 0.000 1.038 335 V CB -0.611 31.456 31.823 0.406 0.000 0.651 335 V HN 0.613 nan 8.190 nan 0.000 0.450 336 W N -0.246 121.070 121.300 0.027 0.000 2.353 336 W HA -0.249 4.412 4.660 0.001 0.000 0.319 336 W C 2.567 179.101 176.519 0.025 0.000 1.207 336 W CA 1.897 59.232 57.345 -0.016 0.000 1.291 336 W CB -0.581 28.850 29.460 -0.048 0.000 1.159 336 W HN 0.312 nan 8.180 nan 0.000 0.478 337 Y N -0.981 119.404 120.300 0.141 0.000 2.274 337 Y HA -0.192 4.358 4.550 0.001 0.000 0.290 337 Y C 1.522 177.150 175.900 -0.454 0.000 1.145 337 Y CA 1.848 59.847 58.100 -0.168 0.000 1.203 337 Y CB -0.438 37.981 38.460 -0.067 0.000 0.984 337 Y HN -0.065 nan 8.280 nan 0.000 0.533 338 W N 2.759 124.004 121.300 -0.091 0.000 3.121 338 W HA 0.139 4.799 4.660 0.001 0.000 0.441 338 W C 1.319 177.682 176.519 -0.259 0.000 0.878 338 W CA -0.145 57.096 57.345 -0.173 0.000 2.101 338 W CB -0.150 29.223 29.460 -0.145 0.000 1.067 338 W HN 0.293 nan 8.180 nan 0.000 0.834 339 R N -0.912 119.391 120.500 -0.327 0.000 2.200 339 R HA -0.107 4.233 4.340 0.001 0.000 0.234 339 R C 1.174 177.208 176.300 -0.442 0.000 1.127 339 R CA 1.506 57.330 56.100 -0.460 0.000 0.989 339 R CB -1.013 28.880 30.300 -0.677 0.000 0.869 339 R HN -0.140 nan 8.270 nan 0.000 0.459 340 T N 0.864 115.187 114.554 -0.386 0.000 3.072 340 T HA -0.058 4.292 4.350 0.001 0.000 0.266 340 T C 1.627 176.066 174.700 -0.435 0.000 1.127 340 T CA 1.506 63.358 62.100 -0.414 0.000 1.107 340 T CB 0.014 68.669 68.868 -0.355 0.000 0.910 340 T HN 0.614 nan 8.240 nan 0.000 0.513 341 T N -0.648 113.796 114.554 -0.183 0.000 3.065 341 T HA 0.502 4.853 4.350 0.001 0.000 0.252 341 T C 0.980 175.723 174.700 0.070 0.000 1.099 341 T CA 0.019 62.165 62.100 0.077 0.000 1.063 341 T CB -0.078 69.017 68.868 0.379 0.000 0.948 341 T HN 0.315 nan 8.240 nan 0.000 0.506 342 A N 1.257 123.879 122.820 -0.330 0.000 2.332 342 A HA 0.503 4.823 4.320 0.001 0.000 0.258 342 A C 0.617 177.852 177.584 -0.582 0.000 1.087 342 A CA -0.494 50.995 52.037 -0.914 0.000 0.802 342 A CB 0.069 17.982 19.000 -1.813 0.000 1.042 342 A HN 0.813 nan 8.150 nan 0.000 0.489 343 W N -0.249 120.695 121.300 -0.594 0.000 3.278 343 W HA 0.457 5.117 4.660 0.001 0.000 0.308 343 W C -0.043 176.359 176.519 -0.195 0.000 1.253 343 W CA -0.598 56.427 57.345 -0.533 0.000 1.759 343 W CB -0.744 28.022 29.460 -1.157 0.000 1.093 343 W HN 0.621 nan 8.180 nan 0.000 0.648 344 W N 1.024 122.029 121.300 -0.492 0.000 2.894 344 W HA 0.615 5.274 4.660 -0.001 0.000 0.345 344 W C -0.422 175.893 176.519 -0.339 0.000 1.152 344 W CA -1.430 55.693 57.345 -0.371 0.000 1.089 344 W CB 0.190 29.397 29.460 -0.422 0.000 1.454 344 W HN -0.373 nan 8.180 nan 0.000 0.589 345 N N 2.281 120.895 118.700 -0.145 0.000 2.621 345 N HA 0.310 5.051 4.740 0.001 0.000 0.237 345 N C -2.701 172.634 175.510 -0.291 0.000 0.997 345 N CA -1.628 51.258 53.050 -0.274 0.000 0.918 345 N CB 0.935 39.291 38.487 -0.219 0.000 1.122 345 N HN 0.013 nan 8.380 nan 0.000 0.510 346 P HA 0.088 nan 4.420 nan 0.000 0.268 346 P C -0.662 176.572 177.300 -0.111 0.000 1.205 346 P CA -0.221 62.671 63.100 -0.346 0.000 0.771 346 P CB 0.671 32.363 31.700 -0.014 0.000 0.858 347 A N 2.962 125.652 122.820 -0.216 0.000 2.290 347 A HA 0.560 4.881 4.320 0.001 0.000 0.310 347 A C 1.407 179.106 177.584 0.192 0.000 1.202 347 A CA -0.038 52.058 52.037 0.097 0.000 0.837 347 A CB 0.570 19.642 19.000 0.121 0.000 1.139 347 A HN 0.529 nan 8.150 nan 0.000 0.509 348 A N 2.155 124.854 122.820 -0.202 0.000 1.930 348 A HA 0.338 4.658 4.320 0.001 0.000 0.217 348 A C 1.918 179.050 177.584 -0.752 0.000 1.175 348 A CA 1.569 53.030 52.037 -0.960 0.000 0.627 348 A CB -1.073 16.767 19.000 -1.934 0.000 0.815 348 A HN 2.646 nan 8.150 nan 0.000 0.443 349 G N -1.205 107.258 108.800 -0.563 0.000 2.273 349 G HA2 -0.135 3.825 3.960 0.001 0.000 0.280 349 G HA3 -0.135 3.825 3.960 0.001 0.000 0.280 349 G C 0.492 175.113 174.900 -0.465 0.000 1.047 349 G CA 0.920 45.832 45.100 -0.314 0.000 0.869 349 G HN 1.825 nan 8.290 nan 0.000 0.502 350 V N -2.034 117.403 119.914 -0.795 0.000 2.838 350 V HA 0.581 4.701 4.120 0.001 0.000 0.363 350 V C 1.055 176.960 176.094 -0.314 0.000 1.324 350 V CA 0.325 62.250 62.300 -0.626 0.000 1.220 350 V CB -0.553 30.722 31.823 -0.914 0.000 1.328 350 V HN 1.009 nan 8.190 nan 0.000 0.595 351 T N -1.157 113.287 114.554 -0.184 0.000 2.791 351 T HA 0.202 4.553 4.350 0.001 0.000 0.323 351 T C -1.102 173.582 174.700 -0.026 0.000 1.082 351 T CA 0.109 62.204 62.100 -0.010 0.000 1.084 351 T CB 0.509 69.372 68.868 -0.008 0.000 0.992 351 T HN 0.279 nan 8.240 nan 0.000 0.547 352 P HA -0.077 nan 4.420 nan 0.000 0.216 352 P C 1.502 178.801 177.300 -0.002 0.000 1.150 352 P CA 1.122 64.240 63.100 0.029 0.000 0.837 352 P CB 0.061 31.788 31.700 0.044 0.000 0.786 353 E N -0.421 119.768 120.200 -0.019 0.000 2.152 353 E HA -0.176 4.174 4.350 0.001 0.000 0.192 353 E C 1.724 178.299 176.600 -0.042 0.000 0.983 353 E CA 0.820 57.206 56.400 -0.024 0.000 0.818 353 E CB -0.055 29.625 29.700 -0.034 0.000 0.758 353 E HN 0.320 nan 8.360 nan 0.000 0.467 354 E N 0.035 120.175 120.200 -0.099 0.000 2.107 354 E HA -0.112 4.239 4.350 0.001 0.000 0.191 354 E C 2.156 178.646 176.600 -0.184 0.000 0.982 354 E CA 0.496 56.804 56.400 -0.153 0.000 0.809 354 E CB 0.059 29.613 29.700 -0.244 0.000 0.756 354 E HN 0.146 nan 8.360 nan 0.000 0.459 355 R N 0.987 121.366 120.500 -0.202 0.000 2.120 355 R HA -0.134 4.206 4.340 0.001 0.000 0.234 355 R C 1.662 177.891 176.300 -0.119 0.000 1.123 355 R CA 1.321 57.273 56.100 -0.246 0.000 0.975 355 R CB -0.138 30.157 30.300 -0.007 0.000 0.866 355 R HN 0.188 nan 8.270 nan 0.000 0.446 356 D N -0.240 120.143 120.400 -0.028 0.000 2.117 356 D HA -0.187 4.454 4.640 0.001 0.000 0.198 356 D C 1.518 177.829 176.300 0.019 0.000 0.982 356 D CA 0.857 54.864 54.000 0.011 0.000 0.828 356 D CB -0.307 40.511 40.800 0.030 0.000 0.967 356 D HN 0.300 nan 8.370 nan 0.000 0.464 357 W N 1.764 122.962 121.300 -0.169 0.000 2.358 357 W HA -0.101 4.562 4.660 0.004 0.000 0.303 357 W C 2.030 178.433 176.519 -0.193 0.000 1.208 357 W CA 1.016 58.260 57.345 -0.168 0.000 1.274 357 W CB -0.410 28.943 29.460 -0.178 0.000 1.138 357 W HN -0.120 nan 8.180 nan 0.000 0.515 358 L N 0.462 121.599 121.223 -0.144 0.000 2.083 358 L HA -0.213 4.128 4.340 0.001 0.000 0.209 358 L C 2.454 179.168 176.870 -0.261 0.000 1.083 358 L CA 1.913 56.495 54.840 -0.431 0.000 0.752 358 L CB -0.889 40.513 42.059 -1.096 0.000 0.899 358 L HN -0.000 nan 8.230 nan 0.000 0.433 359 E N 0.453 120.571 120.200 -0.137 0.000 2.072 359 E HA -0.266 4.084 4.350 0.001 0.000 0.191 359 E C 2.062 178.628 176.600 -0.056 0.000 0.985 359 E CA 1.325 57.749 56.400 0.040 0.000 0.801 359 E CB -0.003 29.754 29.700 0.095 0.000 0.750 359 E HN 0.384 nan 8.360 nan 0.000 0.452 360 E N -0.508 119.593 120.200 -0.164 0.000 2.150 360 E HA -0.166 4.185 4.350 0.001 0.000 0.193 360 E C 1.295 177.666 176.600 -0.381 0.000 0.985 360 E CA 0.854 57.117 56.400 -0.228 0.000 0.814 360 E CB 0.169 29.732 29.700 -0.229 0.000 0.752 360 E HN 0.026 nan 8.360 nan 0.000 0.466 361 K N -0.336 119.704 120.400 -0.600 0.000 2.323 361 K HA 0.000 4.321 4.320 0.001 0.000 0.197 361 K C -0.119 175.886 176.600 -0.992 0.000 1.043 361 K CA 0.465 56.216 56.287 -0.893 0.000 0.997 361 K CB 0.485 32.186 32.500 -1.331 0.000 0.807 361 K HN 0.195 nan 8.250 nan 0.000 0.497 362 Y N 0.775 120.989 120.300 -0.143 0.000 2.535 362 Y HA 0.283 4.833 4.550 -0.000 0.000 0.351 362 Y C -2.579 173.388 175.900 0.111 0.000 1.050 362 Y CA -2.869 55.260 58.100 0.049 0.000 1.168 362 Y CB 0.671 39.247 38.460 0.194 0.000 1.116 362 Y HN -0.118 nan 8.280 nan 0.000 0.654 363 P HA -0.005 nan 4.420 nan 0.000 0.259 363 P C 1.046 178.469 177.300 0.204 0.000 1.155 363 P CA 2.117 65.294 63.100 0.127 0.000 0.759 363 P CB 0.483 32.217 31.700 0.056 0.000 0.753 364 G N 2.089 111.014 108.800 0.208 0.000 2.176 364 G HA2 -0.262 3.698 3.960 0.001 0.000 0.232 364 G HA3 -0.262 3.698 3.960 0.001 0.000 0.232 364 G C 0.754 175.810 174.900 0.259 0.000 0.986 364 G CA 0.058 45.269 45.100 0.185 0.000 0.643 364 G HN 0.559 nan 8.290 nan 0.000 0.522 365 W N 1.229 122.650 121.300 0.202 0.000 2.358 365 W HA -0.022 4.641 4.660 0.004 0.000 0.303 365 W C 2.056 178.725 176.519 0.250 0.000 1.208 365 W CA 1.973 59.499 57.345 0.303 0.000 1.274 365 W CB -0.067 29.492 29.460 0.165 0.000 1.138 365 W HN 0.242 nan 8.180 nan 0.000 0.515 366 N N 0.353 119.325 118.700 0.453 0.000 2.309 366 N HA -0.123 4.618 4.740 0.001 0.000 0.182 366 N C 1.271 176.807 175.510 0.043 0.000 1.018 366 N CA 1.263 54.488 53.050 0.291 0.000 0.876 366 N CB -0.274 38.408 38.487 0.325 0.000 0.972 366 N HN 0.303 nan 8.380 nan 0.000 0.434 367 K N 0.225 120.632 120.400 0.012 0.000 2.486 367 K HA 0.076 4.397 4.320 0.001 0.000 0.194 367 K C 1.494 177.980 176.600 -0.190 0.000 1.033 367 K CA 0.454 56.703 56.287 -0.063 0.000 1.004 367 K CB 0.474 32.958 32.500 -0.027 0.000 0.798 367 K HN 0.111 nan 8.250 nan 0.000 0.495 368 R N -0.786 119.516 120.500 -0.329 0.000 1.787 368 R HA 0.171 4.512 4.340 0.001 0.000 0.132 368 R C 1.664 177.548 176.300 -0.694 0.000 2.093 368 R CA -0.237 55.481 56.100 -0.637 0.000 1.747 368 R CB -0.419 29.226 30.300 -1.092 0.000 1.388 368 R HN 0.095 nan 8.270 nan 0.000 0.484 369 W N 1.301 122.247 121.300 -0.591 0.000 2.325 369 W HA -0.107 4.553 4.660 0.001 0.000 0.299 369 W C 1.971 178.104 176.519 -0.644 0.000 1.215 369 W CA 1.213 58.175 57.345 -0.638 0.000 1.244 369 W CB -1.006 28.054 29.460 -0.666 0.000 1.140 369 W HN 0.563 nan 8.180 nan 0.000 0.523 370 G N 1.136 109.474 108.800 -0.770 0.000 2.547 370 G HA2 -0.323 3.638 3.960 0.001 0.000 0.221 370 G HA3 -0.323 3.638 3.960 0.001 0.000 0.221 370 G C 1.710 176.596 174.900 -0.022 0.000 1.140 370 G CA 1.322 46.278 45.100 -0.240 0.000 0.760 370 G HN 0.076 nan 8.290 nan 0.000 0.583 371 R N 0.092 120.521 120.500 -0.118 0.000 2.081 371 R HA -0.038 4.303 4.340 0.001 0.000 0.235 371 R C 2.696 178.950 176.300 -0.076 0.000 1.131 371 R CA 1.246 57.296 56.100 -0.082 0.000 0.960 371 R CB -1.561 28.659 30.300 -0.133 0.000 0.856 371 R HN 0.488 nan 8.270 nan 0.000 0.436 372 C N -1.286 117.924 119.300 -0.151 0.000 2.440 372 C HA -0.064 4.397 4.460 0.001 0.000 0.278 372 C C 2.470 177.390 174.990 -0.118 0.000 1.295 372 C CA -0.161 58.739 59.018 -0.197 0.000 1.738 372 C CB -1.255 26.283 27.740 -0.337 0.000 1.987 372 C HN 0.547 nan 8.230 nan 0.000 0.492 373 W N 1.391 122.703 121.300 0.019 0.000 2.467 373 W HA -0.052 4.611 4.660 0.006 0.000 0.275 373 W C 2.088 178.676 176.519 0.116 0.000 1.239 373 W CA 0.611 57.998 57.345 0.069 0.000 1.266 373 W CB -0.330 29.200 29.460 0.118 0.000 1.112 373 W HN 0.338 nan 8.180 nan 0.000 0.576 374 D N -0.003 120.568 120.400 0.285 0.000 2.097 374 D HA -0.171 4.469 4.640 0.001 0.000 0.195 374 D C 2.262 178.663 176.300 0.167 0.000 0.989 374 D CA 1.534 55.660 54.000 0.209 0.000 0.827 374 D CB -0.878 40.002 40.800 0.134 0.000 0.966 374 D HN 0.005 nan 8.370 nan 0.000 0.456 375 V N 1.393 121.373 119.914 0.110 0.000 2.255 375 V HA -0.234 3.887 4.120 0.001 0.000 0.247 375 V C 2.602 178.781 176.094 0.142 0.000 1.051 375 V CA 1.251 63.600 62.300 0.082 0.000 1.018 375 V CB -0.485 31.350 31.823 0.020 0.000 0.641 375 V HN 0.153 nan 8.190 nan 0.000 0.445 376 I N 0.084 120.773 120.570 0.199 0.000 2.163 376 I HA -0.273 3.898 4.170 0.001 0.000 0.243 376 I C 2.593 178.930 176.117 0.366 0.000 1.085 376 I CA 2.026 63.515 61.300 0.314 0.000 1.347 376 I CB -0.704 37.526 38.000 0.383 0.000 1.044 376 I HN 0.339 nan 8.210 nan 0.000 0.408 377 T N 0.161 114.964 114.554 0.414 0.000 2.684 377 T HA -0.219 4.132 4.350 0.001 0.000 0.267 377 T C 1.724 176.533 174.700 0.180 0.000 1.036 377 T CA 1.669 63.999 62.100 0.383 0.000 1.148 377 T CB -0.347 68.763 68.868 0.404 0.000 0.863 377 T HN 0.429 nan 8.240 nan 0.000 0.436 378 E N 1.088 121.375 120.200 0.146 0.000 2.058 378 E HA -0.153 4.198 4.350 0.001 0.000 0.194 378 E C 2.354 178.982 176.600 0.046 0.000 0.997 378 E CA 1.064 57.512 56.400 0.080 0.000 0.801 378 E CB -0.164 29.576 29.700 0.066 0.000 0.746 378 E HN 0.340 nan 8.360 nan 0.000 0.450 379 N N 0.371 119.109 118.700 0.063 0.000 2.166 379 N HA -0.122 4.619 4.740 0.001 0.000 0.186 379 N C 1.931 177.417 175.510 -0.040 0.000 1.019 379 N CA 0.938 54.001 53.050 0.021 0.000 0.856 379 N CB -0.216 38.300 38.487 0.049 0.000 0.993 379 N HN 0.035 nan 8.380 nan 0.000 0.426 380 V N 1.160 121.048 119.914 -0.043 0.000 2.295 380 V HA -0.175 3.946 4.120 0.001 0.000 0.246 380 V C 2.229 178.225 176.094 -0.163 0.000 1.049 380 V CA 1.138 63.326 62.300 -0.185 0.000 1.024 380 V CB -0.528 31.146 31.823 -0.248 0.000 0.648 380 V HN 0.130 nan 8.190 nan 0.000 0.447 381 L N 0.624 121.792 121.223 -0.092 0.000 2.191 381 L HA -0.082 4.258 4.340 0.001 0.000 0.212 381 L C 1.900 178.733 176.870 -0.061 0.000 1.103 381 L CA 1.608 56.406 54.840 -0.070 0.000 0.769 381 L CB -1.165 40.877 42.059 -0.028 0.000 0.908 381 L HN 0.375 nan 8.230 nan 0.000 0.438 382 N N -0.850 117.818 118.700 -0.054 0.000 2.336 382 N HA -0.048 4.693 4.740 0.001 0.000 0.189 382 N C 0.198 175.667 175.510 -0.069 0.000 1.113 382 N CA 0.277 53.298 53.050 -0.049 0.000 0.858 382 N CB 0.027 38.495 38.487 -0.031 0.000 0.970 382 N HN 0.155 nan 8.380 nan 0.000 0.471 383 D N 0.215 120.554 120.400 -0.101 0.000 2.870 383 D HA -0.163 4.478 4.640 0.001 0.000 0.228 383 D C -0.651 175.584 176.300 -0.108 0.000 1.147 383 D CA 0.437 54.364 54.000 -0.122 0.000 0.757 383 D CB -0.525 40.217 40.800 -0.097 0.000 1.091 383 D HN 0.047 nan 8.370 nan 0.000 0.429 384 R N 0.632 121.075 120.500 -0.096 0.000 4.071 384 R HA 0.180 4.520 4.340 0.001 0.000 0.220 384 R C 1.387 177.623 176.300 -0.106 0.000 1.614 384 R CA -0.330 55.722 56.100 -0.080 0.000 1.505 384 R CB -0.061 30.210 30.300 -0.048 0.000 1.384 384 R HN 0.319 nan 8.270 nan 0.000 0.758 385 M N 0.485 119.997 119.600 -0.148 0.000 2.319 385 M HA -0.122 4.359 4.480 0.001 0.000 0.265 385 M C 1.332 177.539 176.300 -0.156 0.000 1.068 385 M CA 1.157 56.339 55.300 -0.198 0.000 1.118 385 M CB -0.619 31.836 32.600 -0.242 0.000 1.395 385 M HN 0.262 nan 8.290 nan 0.000 0.435 386 D N 0.346 120.676 120.400 -0.118 0.000 2.265 386 D HA -0.193 4.448 4.640 0.001 0.000 0.208 386 D C 1.783 178.026 176.300 -0.096 0.000 0.977 386 D CA 1.048 54.985 54.000 -0.104 0.000 0.871 386 D CB -0.625 40.130 40.800 -0.075 0.000 0.925 386 D HN 0.374 nan 8.370 nan 0.000 0.485 387 L N 0.310 121.491 121.223 -0.070 0.000 2.558 387 L HA 0.060 4.400 4.340 0.001 0.000 0.225 387 L C 1.446 178.332 176.870 0.027 0.000 1.128 387 L CA 0.053 54.888 54.840 -0.010 0.000 0.868 387 L CB 0.550 42.615 42.059 0.009 0.000 1.006 387 L HN -0.073 nan 8.230 nan 0.000 0.454 388 V N -2.068 117.780 119.914 -0.109 0.000 3.427 388 V HA 0.149 4.270 4.120 0.001 0.000 0.305 388 V C 0.498 176.124 176.094 -0.779 0.000 1.412 388 V CA 0.164 62.308 62.300 -0.261 0.000 1.086 388 V CB 0.583 32.436 31.823 0.050 0.000 0.964 388 V HN 0.124 nan 8.190 nan 0.000 0.439 389 S N 2.513 117.851 115.700 -0.604 0.000 2.473 389 S HA 0.596 5.067 4.470 0.001 0.000 0.307 389 S C -2.537 171.788 174.600 -0.459 0.000 1.094 389 S CA -0.808 57.018 58.200 -0.623 0.000 1.070 389 S CB 2.408 65.385 63.200 -0.373 0.000 1.019 389 S HN 0.226 nan 8.310 nan 0.000 0.480 390 P HA 0.418 nan 4.420 nan 0.000 0.278 390 P C -0.290 176.914 177.300 -0.159 0.000 1.258 390 P CA -0.432 62.490 63.100 -0.297 0.000 0.811 390 P CB 1.234 32.463 31.700 -0.786 0.000 1.063 391 E N -1.339 118.841 120.200 -0.034 0.000 2.485 391 E HA 0.077 4.427 4.350 0.001 0.000 0.213 391 E C 0.609 177.256 176.600 0.078 0.000 0.923 391 E CA 0.216 56.622 56.400 0.010 0.000 1.054 391 E CB 0.721 30.428 29.700 0.011 0.000 1.077 391 E HN 0.402 nan 8.360 nan 0.000 0.509 392 T N -0.203 114.434 114.554 0.138 0.000 2.889 392 T HA 0.546 4.897 4.350 0.001 0.000 0.278 392 T C -0.639 174.202 174.700 0.235 0.000 0.995 392 T CA -0.586 61.604 62.100 0.150 0.000 0.966 392 T CB 0.666 69.605 68.868 0.119 0.000 1.237 392 T HN -0.091 nan 8.240 nan 0.000 0.591 393 L N 2.498 123.710 121.223 -0.018 0.000 2.334 393 L HA 0.491 4.832 4.340 0.001 0.000 0.275 393 L C -1.944 174.706 176.870 -0.366 0.000 1.036 393 L CA -2.222 52.482 54.840 -0.226 0.000 0.807 393 L CB 1.423 43.181 42.059 -0.502 0.000 1.231 393 L HN 0.555 nan 8.230 nan 0.000 0.438 394 P HA 0.092 nan 4.420 nan 0.000 0.269 394 P C -0.757 176.265 177.300 -0.463 0.000 1.215 394 P CA -0.350 62.307 63.100 -0.738 0.000 0.780 394 P CB 0.525 31.561 31.700 -1.106 0.000 0.898 395 S N 0.453 115.959 115.700 -0.324 0.000 2.549 395 S HA 0.235 4.705 4.470 0.001 0.000 0.283 395 S C 0.148 174.605 174.600 -0.239 0.000 1.320 395 S CA -0.421 57.639 58.200 -0.235 0.000 1.058 395 S CB 0.082 63.168 63.200 -0.190 0.000 0.882 395 S HN 0.193 nan 8.310 nan 0.000 0.498 396 V N 2.846 122.652 119.914 -0.181 0.000 2.555 396 V HA 0.254 4.374 4.120 0.001 0.000 0.302 396 V C 0.462 176.522 176.094 -0.056 0.000 1.038 396 V CA -1.093 61.120 62.300 -0.146 0.000 0.887 396 V CB 1.576 33.311 31.823 -0.146 0.000 0.991 396 V HN 1.092 nan 8.190 nan 0.000 0.434 397 C N 4.290 123.584 119.300 -0.009 0.000 2.538 397 C HA 0.007 4.468 4.460 0.001 0.000 0.408 397 C C 1.794 176.796 174.990 0.020 0.000 1.421 397 C CA 0.180 59.225 59.018 0.046 0.000 1.642 397 C CB -1.223 26.604 27.740 0.144 0.000 2.553 397 C HN 1.018 nan 8.230 nan 0.000 0.604 398 N N 3.165 121.812 118.700 -0.089 0.000 2.571 398 N HA -0.041 4.700 4.740 0.001 0.000 0.189 398 N C 1.169 176.817 175.510 0.229 0.000 1.154 398 N CA 0.636 53.707 53.050 0.035 0.000 0.907 398 N CB 0.005 38.462 38.487 -0.049 0.000 0.977 398 N HN 0.805 nan 8.380 nan 0.000 0.449 399 M N -0.471 119.313 119.600 0.307 0.000 2.749 399 M HA 0.135 4.616 4.480 0.001 0.000 0.240 399 M C 1.877 178.146 176.300 -0.052 0.000 1.285 399 M CA 1.077 56.483 55.300 0.176 0.000 1.267 399 M CB -0.516 32.239 32.600 0.258 0.000 1.184 399 M HN 0.029 nan 8.290 nan 0.000 0.526 400 S N -0.541 115.211 115.700 0.088 0.000 2.481 400 S HA -0.065 4.405 4.470 0.001 0.000 0.231 400 S C 0.652 175.240 174.600 -0.020 0.000 0.996 400 S CA 0.814 59.045 58.200 0.050 0.000 0.942 400 S CB -0.360 62.898 63.200 0.098 0.000 0.768 400 S HN 0.635 nan 8.310 nan 0.000 0.520 401 Q N -0.558 119.224 119.800 -0.030 0.000 2.489 401 Q HA -0.137 4.203 4.340 0.001 0.000 0.259 401 Q C -0.504 175.537 176.000 0.069 0.000 0.934 401 Q CA 0.996 56.813 55.803 0.022 0.000 1.131 401 Q CB -2.646 26.124 28.738 0.054 0.000 1.472 401 Q HN 0.733 nan 8.270 nan 0.000 0.560 402 I N 0.952 121.519 120.570 -0.007 0.000 2.460 402 I HA 0.323 4.494 4.170 0.001 0.000 0.298 402 I C -1.995 174.009 176.117 -0.188 0.000 0.989 402 I CA -2.466 58.760 61.300 -0.124 0.000 1.173 402 I CB 1.503 39.318 38.000 -0.308 0.000 1.338 402 I HN -0.291 nan 8.210 nan 0.000 0.456 403 P HA -0.045 nan 4.420 nan 0.000 0.263 403 P C -0.829 176.431 177.300 -0.067 0.000 1.168 403 P CA 0.321 63.223 63.100 -0.330 0.000 0.759 403 P CB 0.227 31.628 31.700 -0.498 0.000 0.782 404 L N 3.844 125.026 121.223 -0.067 0.000 2.369 404 L HA 0.291 4.632 4.340 0.001 0.000 0.279 404 L C 0.848 177.739 176.870 0.035 0.000 1.108 404 L CA -0.095 54.765 54.840 0.032 0.000 0.852 404 L CB -0.055 42.006 42.059 0.003 0.000 1.169 404 L HN 0.203 nan 8.230 nan 0.000 0.452 405 V N 0.384 120.359 119.914 0.102 0.000 3.156 405 V HA 1.106 5.226 4.120 0.001 0.000 0.311 405 V C -0.042 176.102 176.094 0.083 0.000 1.208 405 V CA -0.108 62.247 62.300 0.092 0.000 1.063 405 V CB 1.680 33.586 31.823 0.138 0.000 1.098 405 V HN 0.756 nan 8.190 nan 0.000 0.452 406 G N -0.790 108.060 108.800 0.084 0.000 2.650 406 G HA2 0.554 4.515 3.960 0.001 0.000 0.310 406 G HA3 0.554 4.515 3.960 0.001 0.000 0.310 406 G C -1.414 173.532 174.900 0.076 0.000 1.270 406 G CA -0.173 44.959 45.100 0.053 0.000 0.810 406 G HN 1.250 nan 8.290 nan 0.000 0.493 407 V N 3.156 123.052 119.914 -0.031 0.000 2.408 407 V HA 0.405 4.525 4.120 0.001 0.000 0.267 407 V C -1.534 174.433 176.094 -0.213 0.000 1.047 407 V CA -0.824 61.353 62.300 -0.206 0.000 0.937 407 V CB 0.953 32.652 31.823 -0.207 0.000 0.999 407 V HN 0.602 nan 8.190 nan 0.000 0.472 408 P HA 0.576 nan 4.420 nan 0.000 0.310 408 P C 0.497 177.663 177.300 -0.222 0.000 1.309 408 P CA 0.635 63.657 63.100 -0.130 0.000 0.769 408 P CB 1.465 33.035 31.700 -0.216 0.000 1.327 409 G N 0.126 108.829 108.800 -0.162 0.000 2.509 409 G HA2 -0.269 3.692 3.960 0.001 0.000 0.259 409 G HA3 -0.269 3.692 3.960 0.001 0.000 0.259 409 G C 0.625 175.463 174.900 -0.105 0.000 1.169 409 G CA 0.779 45.770 45.100 -0.181 0.000 0.953 409 G HN 0.428 nan 8.290 nan 0.000 0.563 410 D N 1.637 121.968 120.400 -0.115 0.000 2.117 410 D HA 0.055 4.696 4.640 0.001 0.000 0.198 410 D C 1.543 177.831 176.300 -0.020 0.000 0.982 410 D CA 1.864 55.827 54.000 -0.061 0.000 0.828 410 D CB -0.164 40.603 40.800 -0.056 0.000 0.967 410 D HN 0.632 nan 8.370 nan 0.000 0.464 411 D N -0.573 119.807 120.400 -0.033 0.000 3.133 411 D HA -0.013 4.628 4.640 0.001 0.000 0.288 411 D C -0.328 175.997 176.300 0.041 0.000 1.346 411 D CA -0.897 53.106 54.000 0.006 0.000 0.934 411 D CB -1.092 39.698 40.800 -0.017 0.000 1.042 411 D HN 0.070 nan 8.370 nan 0.000 0.506 412 W N 2.439 123.658 121.300 -0.135 0.000 2.560 412 W HA 0.069 4.729 4.660 0.000 0.000 0.335 412 W C -0.436 176.026 176.519 -0.094 0.000 1.147 412 W CA 0.480 57.743 57.345 -0.136 0.000 1.277 412 W CB 0.057 29.446 29.460 -0.118 0.000 1.152 412 W HN 0.335 nan 8.180 nan 0.000 0.561 413 N N 7.026 125.377 118.700 -0.581 0.000 2.542 413 N HA 0.461 5.202 4.740 0.001 0.000 0.288 413 N C -2.203 172.946 175.510 -0.601 0.000 1.115 413 N CA -0.673 52.029 53.050 -0.580 0.000 0.924 413 N CB 0.805 39.147 38.487 -0.243 0.000 1.526 413 N HN 0.501 nan 8.380 nan 0.000 0.515 414 I N 1.424 121.573 120.570 -0.703 0.000 2.680 414 I HA 0.435 4.605 4.170 0.001 0.000 0.291 414 I C -1.724 174.206 176.117 -0.310 0.000 1.244 414 I CA -0.429 60.626 61.300 -0.408 0.000 1.042 414 I CB 1.894 39.677 38.000 -0.362 0.000 1.277 414 I HN 0.686 nan 8.210 nan 0.000 0.423 415 E N 6.157 126.261 120.200 -0.160 0.000 2.275 415 E HA 0.560 4.911 4.350 0.001 0.000 0.270 415 E C -1.915 174.584 176.600 -0.168 0.000 0.882 415 E CA -0.620 55.629 56.400 -0.252 0.000 0.758 415 E CB 2.377 31.871 29.700 -0.343 0.000 1.195 415 E HN 0.384 nan 8.360 nan 0.000 0.419 416 V N 4.713 124.491 119.914 -0.227 0.000 2.472 416 V HA 0.401 4.522 4.120 0.001 0.000 0.290 416 V C -0.622 175.361 176.094 -0.184 0.000 1.037 416 V CA -0.477 61.789 62.300 -0.056 0.000 0.908 416 V CB 0.972 32.770 31.823 -0.043 0.000 0.985 416 V HN 0.583 nan 8.190 nan 0.000 0.454 417 F N 2.402 122.459 119.950 0.178 0.000 2.308 417 F HA 0.459 4.987 4.527 0.001 0.000 0.370 417 F C 0.848 176.809 175.800 0.269 0.000 1.100 417 F CA -0.077 58.050 58.000 0.211 0.000 1.108 417 F CB 1.328 40.464 39.000 0.227 0.000 1.293 417 F HN 0.411 nan 8.300 nan 0.000 0.478 418 S N 3.426 119.293 115.700 0.277 0.000 2.646 418 S HA 0.750 5.221 4.470 0.001 0.000 0.276 418 S C -1.072 173.642 174.600 0.190 0.000 1.222 418 S CA -0.530 57.794 58.200 0.206 0.000 1.014 418 S CB 1.695 65.016 63.200 0.201 0.000 0.991 418 S HN 0.481 nan 8.310 nan 0.000 0.533 419 L N 1.859 123.148 121.223 0.111 0.000 2.543 419 L HA 0.444 4.785 4.340 0.001 0.000 0.265 419 L C -1.180 175.779 176.870 0.149 0.000 0.945 419 L CA -0.106 54.825 54.840 0.151 0.000 0.869 419 L CB 1.857 44.030 42.059 0.190 0.000 1.294 419 L HN 0.635 nan 8.230 nan 0.000 0.405 420 E N 2.924 123.217 120.200 0.154 0.000 2.249 420 E HA 0.456 4.806 4.350 0.001 0.000 0.280 420 E C -1.412 175.361 176.600 0.288 0.000 1.016 420 E CA -0.407 56.101 56.400 0.180 0.000 0.830 420 E CB 1.119 30.886 29.700 0.112 0.000 1.081 420 E HN 0.587 nan 8.360 nan 0.000 0.395 421 H N 2.829 122.044 119.070 0.240 0.000 3.083 421 H HA 0.178 4.734 4.556 0.001 0.000 0.339 421 H C -0.908 174.583 175.328 0.272 0.000 1.020 421 H CA -0.627 55.574 56.048 0.255 0.000 1.360 421 H CB 0.358 30.276 29.762 0.260 0.000 1.811 421 H HN 0.422 nan 8.280 nan 0.000 0.493 422 N N 3.735 122.247 118.700 -0.312 0.000 2.716 422 N HA -0.173 4.568 4.740 0.001 0.000 0.250 422 N C 0.999 176.494 175.510 -0.025 0.000 1.033 422 N CA 2.025 54.944 53.050 -0.219 0.000 0.727 422 N CB -1.285 37.005 38.487 -0.327 0.000 0.950 422 N HN 1.289 nan 8.380 nan 0.000 0.541 423 G N -1.270 107.539 108.800 0.014 0.000 2.143 423 G HA2 -0.356 3.604 3.960 0.001 0.000 0.249 423 G HA3 -0.356 3.604 3.960 0.001 0.000 0.249 423 G C 0.025 174.937 174.900 0.019 0.000 0.981 423 G CA 0.568 45.679 45.100 0.019 0.000 0.665 423 G HN 0.786 nan 8.290 nan 0.000 0.528 424 R N -0.855 119.679 120.500 0.056 0.000 2.744 424 R HA 0.732 5.073 4.340 0.001 0.000 0.279 424 R C -1.247 175.007 176.300 -0.076 0.000 0.977 424 R CA -1.094 54.970 56.100 -0.060 0.000 0.906 424 R CB 1.127 31.339 30.300 -0.147 0.000 1.197 424 R HN 0.308 nan 8.270 nan 0.000 0.463 425 L N 4.000 125.081 121.223 -0.237 0.000 2.272 425 L HA 0.431 4.772 4.340 0.001 0.000 0.289 425 L C -1.653 174.867 176.870 -0.582 0.000 1.032 425 L CA -0.149 54.533 54.840 -0.263 0.000 0.810 425 L CB 0.745 42.679 42.059 -0.207 0.000 1.205 425 L HN 0.559 nan 8.230 nan 0.000 0.422 426 Y N 3.738 123.740 120.300 -0.496 0.000 2.457 426 Y HA 0.594 5.144 4.550 0.001 0.000 0.333 426 Y C -0.023 175.278 175.900 -0.998 0.000 1.119 426 Y CA -0.671 57.004 58.100 -0.707 0.000 1.143 426 Y CB 1.497 39.521 38.460 -0.727 0.000 1.230 426 Y HN 0.462 nan 8.280 nan 0.000 0.469 427 H N 2.235 121.002 119.070 -0.506 0.000 2.600 427 H HA 0.440 4.996 4.556 0.001 0.000 0.357 427 H C -1.544 173.400 175.328 -0.640 0.000 1.106 427 H CA -1.050 54.752 56.048 -0.410 0.000 1.193 427 H CB 1.649 31.295 29.762 -0.193 0.000 1.594 427 H HN 0.509 nan 8.280 nan 0.000 0.526 428 F N -0.838 119.256 119.950 0.240 0.000 2.577 428 F HA 0.360 4.887 4.527 0.001 0.000 0.318 428 F C 1.427 177.405 175.800 0.297 0.000 1.065 428 F CA -0.798 57.331 58.000 0.214 0.000 0.929 428 F CB 1.761 40.858 39.000 0.162 0.000 1.237 428 F HN 0.658 nan 8.300 nan 0.000 0.468 429 G N -0.156 108.917 108.800 0.454 0.000 2.813 429 G HA2 0.317 4.277 3.960 0.001 0.000 0.209 429 G HA3 0.317 4.277 3.960 0.001 0.000 0.209 429 G C -0.120 175.034 174.900 0.423 0.000 1.150 429 G CA 0.686 46.024 45.100 0.397 0.000 0.785 429 G HN 0.630 nan 8.290 nan 0.000 0.535 430 S N -1.876 113.999 115.700 0.291 0.000 2.615 430 S HA 0.327 4.797 4.470 0.001 0.000 0.269 430 S C 0.392 174.500 174.600 -0.821 0.000 1.161 430 S CA -0.588 57.495 58.200 -0.196 0.000 0.817 430 S CB 1.360 64.611 63.200 0.085 0.000 1.131 430 S HN 0.080 nan 8.310 nan 0.000 0.467 431 E N 0.340 119.714 120.200 -1.377 0.000 2.160 431 E HA -0.115 4.235 4.350 0.001 0.000 0.195 431 E C 1.702 178.120 176.600 -0.304 0.000 0.991 431 E CA 1.572 57.509 56.400 -0.772 0.000 0.810 431 E CB -0.452 29.001 29.700 -0.412 0.000 0.742 431 E HN 0.477 nan 8.360 nan 0.000 0.466 432 V N 1.881 121.460 119.914 -0.559 0.000 2.379 432 V HA -0.197 3.923 4.120 0.001 0.000 0.245 432 V C 1.894 177.840 176.094 -0.247 0.000 1.044 432 V CA 1.652 63.606 62.300 -0.577 0.000 1.036 432 V CB -0.415 30.249 31.823 -1.931 0.000 0.664 432 V HN 0.168 nan 8.190 nan 0.000 0.453 433 D N 0.153 120.409 120.400 -0.241 0.000 2.117 433 D HA -0.200 4.441 4.640 0.001 0.000 0.197 433 D C 2.309 178.369 176.300 -0.401 0.000 0.987 433 D CA 1.522 55.502 54.000 -0.034 0.000 0.829 433 D CB -0.064 40.881 40.800 0.241 0.000 0.961 433 D HN 0.356 nan 8.370 nan 0.000 0.460 434 R N -0.118 120.094 120.500 -0.481 0.000 2.081 434 R HA -0.181 4.160 4.340 0.001 0.000 0.235 434 R C 2.270 178.389 176.300 -0.302 0.000 1.131 434 R CA 1.426 57.067 56.100 -0.765 0.000 0.960 434 R CB -0.491 29.713 30.300 -0.160 0.000 0.856 434 R HN 0.223 nan 8.270 nan 0.000 0.436 435 W N 0.599 121.769 121.300 -0.216 0.000 2.338 435 W HA -0.213 4.447 4.660 0.001 0.000 0.304 435 W C 1.694 178.190 176.519 -0.039 0.000 1.212 435 W CA 1.599 58.904 57.345 -0.066 0.000 1.264 435 W CB -0.327 29.196 29.460 0.106 0.000 1.142 435 W HN -0.104 nan 8.180 nan 0.000 0.512 436 V N 0.912 120.818 119.914 -0.013 0.000 2.332 436 V HA -0.330 3.791 4.120 0.001 0.000 0.248 436 V C 2.081 177.990 176.094 -0.310 0.000 1.055 436 V CA 2.166 64.342 62.300 -0.206 0.000 1.038 436 V CB -1.312 30.517 31.823 0.011 0.000 0.651 436 V HN 0.331 nan 8.190 nan 0.000 0.450 437 F N 0.797 120.413 119.950 -0.557 0.000 2.134 437 F HA -0.239 4.288 4.527 0.001 0.000 0.299 437 F C 2.517 178.122 175.800 -0.325 0.000 1.097 437 F CA 1.914 59.589 58.000 -0.542 0.000 1.264 437 F CB -0.107 38.470 39.000 -0.706 0.000 1.001 437 F HN 0.139 nan 8.300 nan 0.000 0.479 438 Q N -0.378 119.341 119.800 -0.134 0.000 2.364 438 Q HA -0.176 4.164 4.340 0.001 0.000 0.207 438 Q C 1.974 177.798 176.000 -0.294 0.000 0.970 438 Q CA 0.824 56.529 55.803 -0.163 0.000 0.888 438 Q CB -0.087 28.585 28.738 -0.111 0.000 0.951 438 Q HN 0.440 nan 8.270 nan 0.000 0.469 439 Q N 0.255 119.796 119.800 -0.431 0.000 2.172 439 Q HA -0.067 4.273 4.340 0.001 0.000 0.200 439 Q C 0.226 176.084 176.000 -0.237 0.000 0.964 439 Q CA 1.035 56.592 55.803 -0.409 0.000 0.855 439 Q CB 0.292 28.683 28.738 -0.579 0.000 0.918 439 Q HN 0.163 nan 8.270 nan 0.000 0.444 440 D N -1.507 118.778 120.400 -0.191 0.000 2.846 440 D HA 0.199 4.840 4.640 0.001 0.000 0.279 440 D C -2.187 173.930 176.300 -0.305 0.000 1.222 440 D CA -1.714 52.168 54.000 -0.197 0.000 0.769 440 D CB 0.905 41.601 40.800 -0.174 0.000 1.299 440 D HN -0.179 nan 8.370 nan 0.000 0.537 441 P HA -0.122 nan 4.420 nan 0.000 0.216 441 P C 1.607 178.689 177.300 -0.363 0.000 1.150 441 P CA 0.598 63.347 63.100 -0.585 0.000 0.837 441 P CB 0.492 31.970 31.700 -0.369 0.000 0.786 442 V N -0.516 119.262 119.914 -0.227 0.000 2.720 442 V HA -0.231 3.889 4.120 0.001 0.000 0.256 442 V C 2.561 178.507 176.094 -0.246 0.000 1.082 442 V CA 1.680 63.888 62.300 -0.154 0.000 1.101 442 V CB -1.212 30.546 31.823 -0.109 0.000 0.693 442 V HN 0.125 nan 8.190 nan 0.000 0.479 443 Q N -0.392 119.125 119.800 -0.472 0.000 2.167 443 Q HA -0.127 4.214 4.340 0.001 0.000 0.202 443 Q C 1.628 177.243 176.000 -0.642 0.000 0.970 443 Q CA 1.963 57.332 55.803 -0.723 0.000 0.855 443 Q CB -0.089 27.913 28.738 -1.227 0.000 0.911 443 Q HN 0.801 nan 8.270 nan 0.000 0.438 444 Y N -1.249 118.954 120.300 -0.162 0.000 2.423 444 Y HA 0.143 4.694 4.550 0.001 0.000 0.257 444 Y C 1.932 177.974 175.900 0.236 0.000 1.087 444 Y CA 0.040 58.148 58.100 0.013 0.000 1.258 444 Y CB 0.144 38.534 38.460 -0.117 0.000 1.237 444 Y HN 0.168 nan 8.280 nan 0.000 0.517 445 Q N 0.451 120.397 119.800 0.243 0.000 2.167 445 Q HA -0.098 4.243 4.340 0.001 0.000 0.202 445 Q C 0.386 176.732 176.000 0.577 0.000 0.970 445 Q CA 1.543 57.655 55.803 0.514 0.000 0.855 445 Q CB -0.251 28.750 28.738 0.439 0.000 0.911 445 Q HN 0.269 nan 8.270 nan 0.000 0.438 446 N N 0.463 119.391 118.700 0.379 0.000 2.251 446 N HA 0.018 4.759 4.740 0.001 0.000 0.217 446 N C -0.507 175.178 175.510 0.292 0.000 1.124 446 N CA 0.013 53.246 53.050 0.305 0.000 0.843 446 N CB 0.069 38.673 38.487 0.195 0.000 1.024 446 N HN 0.359 nan 8.380 nan 0.000 0.501 447 H N 1.368 120.628 119.070 0.317 0.000 2.815 447 H HA 0.105 4.662 4.556 0.001 0.000 0.350 447 H C -0.361 175.136 175.328 0.281 0.000 1.080 447 H CA 0.454 56.687 56.048 0.308 0.000 1.433 447 H CB 0.771 30.780 29.762 0.412 0.000 1.432 447 H HN -0.103 nan 8.280 nan 0.000 0.592 448 M N 4.823 124.139 119.600 -0.473 0.000 2.190 448 M HA 0.103 4.584 4.480 0.001 0.000 0.312 448 M C 0.131 176.254 176.300 -0.295 0.000 0.990 448 M CA -1.072 54.090 55.300 -0.229 0.000 0.927 448 M CB 1.320 33.850 32.600 -0.116 0.000 1.571 448 M HN 0.637 nan 8.290 nan 0.000 0.427 449 N N 2.651 121.356 118.700 0.008 0.000 2.322 449 N HA 0.193 4.934 4.740 0.001 0.000 0.270 449 N C 0.613 176.171 175.510 0.080 0.000 1.286 449 N CA -0.377 52.749 53.050 0.126 0.000 0.948 449 N CB 1.026 39.603 38.487 0.151 0.000 1.164 449 N HN 0.810 nan 8.380 nan 0.000 0.551 450 I N -0.479 120.159 120.570 0.113 0.000 2.439 450 I HA -0.138 4.033 4.170 0.001 0.000 0.251 450 I C 1.310 177.459 176.117 0.053 0.000 1.139 450 I CA 0.705 62.077 61.300 0.120 0.000 1.438 450 I CB 0.093 38.206 38.000 0.189 0.000 1.085 450 I HN 0.356 nan 8.210 nan 0.000 0.427 451 V N 1.157 121.077 119.914 0.010 0.000 2.358 451 V HA -0.251 3.870 4.120 0.001 0.000 0.246 451 V C 2.054 178.193 176.094 0.076 0.000 1.047 451 V CA 1.936 64.247 62.300 0.020 0.000 1.035 451 V CB -0.886 30.908 31.823 -0.048 0.000 0.658 451 V HN 0.424 nan 8.190 nan 0.000 0.452 452 D N 0.282 120.700 120.400 0.030 0.000 2.172 452 D HA -0.213 4.428 4.640 0.001 0.000 0.196 452 D C 2.368 178.675 176.300 0.011 0.000 0.999 452 D CA 1.500 55.504 54.000 0.007 0.000 0.856 452 D CB -0.219 40.570 40.800 -0.019 0.000 0.934 452 D HN 0.426 nan 8.370 nan 0.000 0.453 453 R N -0.856 119.654 120.500 0.018 0.000 2.119 453 R HA -0.014 4.327 4.340 0.001 0.000 0.222 453 R C 2.197 178.484 176.300 -0.021 0.000 1.088 453 R CA 0.217 56.303 56.100 -0.023 0.000 0.984 453 R CB -0.293 29.971 30.300 -0.061 0.000 0.884 453 R HN 0.116 nan 8.270 nan 0.000 0.447 454 F N 1.461 121.329 119.950 -0.137 0.000 2.075 454 F HA -0.142 4.386 4.527 0.002 0.000 0.297 454 F C 1.748 177.497 175.800 -0.086 0.000 1.113 454 F CA 1.500 59.427 58.000 -0.122 0.000 1.218 454 F CB -0.158 38.789 39.000 -0.088 0.000 0.984 454 F HN -0.105 nan 8.300 nan 0.000 0.472 455 L N -0.610 120.633 121.223 0.034 0.000 2.376 455 L HA -0.020 4.321 4.340 0.001 0.000 0.219 455 L C 2.074 178.892 176.870 -0.087 0.000 1.133 455 L CA 0.783 55.592 54.840 -0.051 0.000 0.816 455 L CB -0.742 41.326 42.059 0.014 0.000 0.933 455 L HN 0.212 nan 8.230 nan 0.000 0.449 456 A N -0.722 122.053 122.820 -0.076 0.000 2.345 456 A HA 0.433 4.754 4.320 0.001 0.000 0.225 456 A C 1.588 179.119 177.584 -0.088 0.000 1.243 456 A CA 0.536 52.531 52.037 -0.069 0.000 0.875 456 A CB -0.062 18.912 19.000 -0.045 0.000 0.929 456 A HN 0.437 nan 8.150 nan 0.000 0.502 457 G N -0.765 107.952 108.800 -0.138 0.000 2.157 457 G HA2 -0.296 3.665 3.960 0.001 0.000 0.248 457 G HA3 -0.296 3.665 3.960 0.001 0.000 0.248 457 G C 0.691 175.525 174.900 -0.111 0.000 0.979 457 G CA 0.529 45.547 45.100 -0.137 0.000 0.650 457 G HN 0.533 nan 8.290 nan 0.000 0.529 458 Q N -0.683 119.047 119.800 -0.117 0.000 2.389 458 Q HA 0.303 4.644 4.340 0.001 0.000 0.204 458 Q C 0.990 176.891 176.000 -0.165 0.000 0.944 458 Q CA 0.578 56.321 55.803 -0.100 0.000 0.908 458 Q CB 0.475 29.161 28.738 -0.087 0.000 1.002 458 Q HN 0.674 nan 8.270 nan 0.000 0.493 459 I N 2.136 122.581 120.570 -0.209 0.000 2.371 459 I HA 0.184 4.355 4.170 0.001 0.000 0.282 459 I C -0.630 175.443 176.117 -0.072 0.000 1.031 459 I CA -0.529 60.670 61.300 -0.169 0.000 1.180 459 I CB 0.952 38.879 38.000 -0.122 0.000 1.336 459 I HN -0.071 nan 8.210 nan 0.000 0.467 460 Q N 7.365 127.166 119.800 0.001 0.000 2.333 460 Q HA 0.527 4.868 4.340 0.001 0.000 0.267 460 Q C -2.223 173.811 176.000 0.057 0.000 1.012 460 Q CA -1.696 54.109 55.803 0.004 0.000 0.824 460 Q CB 2.332 31.071 28.738 0.002 0.000 1.290 460 Q HN 0.394 nan 8.270 nan 0.000 0.449 461 P HA 0.216 nan 4.420 nan 0.000 0.276 461 P C -0.394 176.910 177.300 0.006 0.000 1.252 461 P CA -0.488 62.618 63.100 0.011 0.000 0.802 461 P CB 0.925 32.641 31.700 0.027 0.000 1.035 462 M N 2.027 121.569 119.600 -0.097 0.000 3.596 462 M HA 0.107 4.587 4.480 0.001 0.000 0.219 462 M C -0.540 175.777 176.300 0.027 0.000 1.471 462 M CA 0.247 55.372 55.300 -0.291 0.000 1.644 462 M CB -1.168 31.113 32.600 -0.532 0.000 1.083 462 M HN 0.502 nan 8.290 nan 0.000 0.579 463 T N -2.051 112.681 114.554 0.296 0.000 2.841 463 T HA 0.280 4.631 4.350 0.001 0.000 0.296 463 T C 0.416 175.312 174.700 0.327 0.000 1.166 463 T CA -1.046 61.246 62.100 0.320 0.000 1.007 463 T CB 1.243 70.203 68.868 0.153 0.000 1.253 463 T HN 0.358 nan 8.240 nan 0.000 0.511 464 L N 0.892 122.226 121.223 0.185 0.000 2.051 464 L HA -0.057 4.284 4.340 0.001 0.000 0.214 464 L C 2.491 179.428 176.870 0.111 0.000 1.076 464 L CA 2.749 57.646 54.840 0.097 0.000 0.758 464 L CB -0.870 41.219 42.059 0.051 0.000 0.890 464 L HN 0.984 nan 8.230 nan 0.000 0.433 465 E N -0.659 119.602 120.200 0.101 0.000 2.106 465 E HA -0.104 4.247 4.350 0.001 0.000 0.192 465 E C 2.131 178.818 176.600 0.146 0.000 0.984 465 E CA 1.304 57.761 56.400 0.095 0.000 0.806 465 E CB -0.735 29.004 29.700 0.065 0.000 0.750 465 E HN 0.522 nan 8.360 nan 0.000 0.458 466 G N 0.238 109.141 108.800 0.171 0.000 2.432 466 G HA2 -0.246 3.714 3.960 0.001 0.000 0.219 466 G HA3 -0.246 3.714 3.960 0.001 0.000 0.219 466 G C 1.664 176.722 174.900 0.264 0.000 1.135 466 G CA 0.814 46.031 45.100 0.195 0.000 0.767 466 G HN 0.439 nan 8.290 nan 0.000 0.550 467 A N 0.433 123.420 122.820 0.277 0.000 1.930 467 A HA 0.170 4.490 4.320 0.001 0.000 0.217 467 A C 2.401 180.198 177.584 0.355 0.000 1.175 467 A CA 1.070 53.285 52.037 0.297 0.000 0.627 467 A CB -0.291 18.802 19.000 0.155 0.000 0.815 467 A HN 0.356 nan 8.150 nan 0.000 0.443 468 L N -0.631 120.767 121.223 0.292 0.000 2.072 468 L HA -0.147 4.194 4.340 0.001 0.000 0.205 468 L C 2.481 179.609 176.870 0.431 0.000 1.079 468 L CA 1.068 56.125 54.840 0.362 0.000 0.752 468 L CB -0.407 41.743 42.059 0.151 0.000 0.906 468 L HN 0.192 nan 8.230 nan 0.000 0.436 469 K N -0.230 120.359 120.400 0.315 0.000 2.032 469 K HA -0.238 4.082 4.320 0.001 0.000 0.209 469 K C 2.086 178.864 176.600 0.297 0.000 1.048 469 K CA 1.676 58.132 56.287 0.282 0.000 0.927 469 K CB -0.874 31.755 32.500 0.215 0.000 0.712 469 K HN 0.238 nan 8.250 nan 0.000 0.441 470 Y N 1.645 122.062 120.300 0.195 0.000 2.128 470 Y HA -0.166 4.385 4.550 0.001 0.000 0.284 470 Y C 2.239 178.246 175.900 0.179 0.000 1.154 470 Y CA 1.711 59.914 58.100 0.172 0.000 1.149 470 Y CB -0.274 38.293 38.460 0.178 0.000 0.976 470 Y HN -0.036 nan 8.280 nan 0.000 0.505 471 M N -0.874 118.905 119.600 0.298 0.000 2.539 471 M HA -0.046 4.435 4.480 0.001 0.000 0.261 471 M C 1.653 177.992 176.300 0.064 0.000 1.069 471 M CA 1.575 56.995 55.300 0.200 0.000 1.081 471 M CB -0.433 32.413 32.600 0.409 0.000 1.412 471 M HN 0.625 nan 8.290 nan 0.000 0.482 472 G N -0.099 108.757 108.800 0.094 0.000 2.179 472 G HA2 -0.217 3.743 3.960 0.001 0.000 0.220 472 G HA3 -0.217 3.743 3.960 0.001 0.000 0.220 472 G C -0.061 174.886 174.900 0.079 0.000 0.990 472 G CA -0.696 44.404 45.100 0.001 0.000 0.646 472 G HN 0.334 nan 8.290 nan 0.000 0.517 473 F N 1.196 121.382 119.950 0.392 0.000 2.607 473 F HA 0.346 4.874 4.527 0.001 0.000 0.374 473 F C 1.759 177.701 175.800 0.237 0.000 1.104 473 F CA 1.103 59.336 58.000 0.388 0.000 1.296 473 F CB 0.648 39.797 39.000 0.250 0.000 1.085 473 F HN 0.144 nan 8.300 nan 0.000 0.584 474 Q N 0.781 120.822 119.800 0.400 0.000 2.189 474 Q HA 0.177 4.517 4.340 0.001 0.000 0.223 474 Q C -0.169 175.962 176.000 0.218 0.000 0.828 474 Q CA -0.015 55.933 55.803 0.241 0.000 0.967 474 Q CB 0.811 29.649 28.738 0.167 0.000 1.139 474 Q HN 0.703 nan 8.270 nan 0.000 0.497 475 S N -1.960 113.899 115.700 0.265 0.000 2.595 475 S HA 0.311 4.781 4.470 0.001 0.000 0.270 475 S C 0.217 174.906 174.600 0.148 0.000 1.145 475 S CA -0.731 57.576 58.200 0.178 0.000 0.825 475 S CB 0.247 63.540 63.200 0.155 0.000 1.107 475 S HN 0.113 nan 8.310 nan 0.000 0.461 476 I N 1.336 121.953 120.570 0.078 0.000 2.286 476 I HA -0.124 4.047 4.170 0.001 0.000 0.248 476 I C 2.253 178.375 176.117 0.008 0.000 1.115 476 I CA 1.483 62.794 61.300 0.017 0.000 1.392 476 I CB -0.320 37.684 38.000 0.006 0.000 1.065 476 I HN 0.749 nan 8.210 nan 0.000 0.418 477 E N 0.658 120.891 120.200 0.055 0.000 2.268 477 E HA -0.202 4.148 4.350 0.001 0.000 0.195 477 E C 1.935 178.580 176.600 0.074 0.000 0.995 477 E CA 0.845 57.279 56.400 0.056 0.000 0.836 477 E CB -0.101 29.650 29.700 0.085 0.000 0.763 477 E HN 0.488 nan 8.360 nan 0.000 0.491 478 E N -0.074 120.218 120.200 0.154 0.000 2.152 478 E HA -0.049 4.302 4.350 0.001 0.000 0.192 478 E C 0.246 176.895 176.600 0.081 0.000 0.983 478 E CA 0.316 56.868 56.400 0.253 0.000 0.818 478 E CB 0.006 30.064 29.700 0.596 0.000 0.758 478 E HN 0.279 nan 8.360 nan 0.000 0.467 479 M N 0.974 120.460 119.600 -0.190 0.000 2.238 479 M HA 0.104 4.585 4.480 0.001 0.000 0.347 479 M C 0.700 176.776 176.300 -0.374 0.000 1.173 479 M CA -0.230 54.730 55.300 -0.566 0.000 1.147 479 M CB 0.843 33.034 32.600 -0.681 0.000 1.547 479 M HN -0.036 nan 8.290 nan 0.000 0.455 480 G N 3.019 111.549 108.800 -0.449 0.000 2.432 480 G HA2 0.286 4.247 3.960 0.001 0.000 0.239 480 G HA3 0.286 4.247 3.960 0.001 0.000 0.239 480 G C -0.564 174.100 174.900 -0.393 0.000 1.291 480 G CA -0.411 44.421 45.100 -0.446 0.000 0.863 480 G HN 0.670 nan 8.290 nan 0.000 0.560 481 K N 0.426 120.622 120.400 -0.339 0.000 2.395 481 K HA 0.275 4.595 4.320 0.001 0.000 0.245 481 K C -0.771 175.629 176.600 -0.334 0.000 1.017 481 K CA -0.880 55.221 56.287 -0.309 0.000 0.852 481 K CB 1.979 34.360 32.500 -0.199 0.000 1.311 481 K HN 0.568 nan 8.250 nan 0.000 0.452 482 D N 0.492 120.667 120.400 -0.375 0.000 2.493 482 D HA 0.035 4.676 4.640 0.001 0.000 0.240 482 D C 0.846 177.039 176.300 -0.177 0.000 1.142 482 D CA 0.258 54.107 54.000 -0.252 0.000 0.872 482 D CB 1.096 41.530 40.800 -0.611 0.000 1.173 482 D HN 0.566 nan 8.370 nan 0.000 0.467 483 A N 3.695 126.446 122.820 -0.114 0.000 1.978 483 A HA -0.211 4.109 4.320 0.001 0.000 0.220 483 A C 1.264 178.630 177.584 -0.363 0.000 1.170 483 A CA 1.483 53.355 52.037 -0.273 0.000 0.636 483 A CB -0.534 18.240 19.000 -0.376 0.000 0.810 483 A HN 0.826 nan 8.150 nan 0.000 0.448 484 H N -1.721 117.365 119.070 0.028 0.000 2.505 484 H HA 0.279 4.836 4.556 0.002 0.000 0.286 484 H C -0.092 175.246 175.328 0.016 0.000 1.072 484 H CA 0.067 56.146 56.048 0.052 0.000 1.141 484 H CB 0.174 30.021 29.762 0.142 0.000 1.550 484 H HN 0.450 nan 8.280 nan 0.000 0.547 485 D N 0.553 120.957 120.400 0.007 0.000 2.697 485 D HA -0.294 4.347 4.640 0.001 0.000 0.235 485 D C -0.407 175.988 176.300 0.159 0.000 1.167 485 D CA 0.561 54.578 54.000 0.028 0.000 0.656 485 D CB -1.719 39.138 40.800 0.095 0.000 1.025 485 D HN 0.483 nan 8.370 nan 0.000 0.419 486 F N -3.553 116.441 119.950 0.073 0.000 3.059 486 F HA -0.373 4.154 4.527 -0.000 0.000 0.290 486 F C 2.100 177.555 175.800 -0.575 0.000 0.786 486 F CA 0.902 58.648 58.000 -0.424 0.000 1.060 486 F CB -1.945 36.835 39.000 -0.367 0.000 1.327 486 F HN 0.322 nan 8.300 nan 0.000 0.409 487 A N 0.781 123.571 122.820 -0.051 0.000 2.084 487 A HA -0.210 4.110 4.320 0.001 0.000 0.221 487 A C 1.895 179.435 177.584 -0.073 0.000 1.161 487 A CA 1.608 53.624 52.037 -0.035 0.000 0.653 487 A CB -0.951 18.092 19.000 0.072 0.000 0.802 487 A HN 0.791 nan 8.150 nan 0.000 0.457 488 W N -1.223 120.088 121.300 0.018 0.000 2.421 488 W HA 0.021 4.679 4.660 -0.004 0.000 0.270 488 W C 1.828 178.357 176.519 0.016 0.000 1.233 488 W CA 0.826 58.142 57.345 -0.050 0.000 1.226 488 W CB -1.194 28.201 29.460 -0.107 0.000 1.121 488 W HN 0.394 nan 8.180 nan 0.000 0.579 489 A N 1.805 124.318 122.820 -0.510 0.000 2.019 489 A HA -0.197 4.124 4.320 0.001 0.000 0.219 489 A C 1.555 179.079 177.584 -0.101 0.000 1.164 489 A CA 1.864 53.674 52.037 -0.378 0.000 0.644 489 A CB -0.867 17.777 19.000 -0.594 0.000 0.805 489 A HN 0.113 nan 8.150 nan 0.000 0.449 490 D N 0.303 120.654 120.400 -0.082 0.000 2.403 490 D HA -0.022 4.618 4.640 0.001 0.000 0.227 490 D C 0.716 177.023 176.300 0.012 0.000 0.995 490 D CA 0.944 54.927 54.000 -0.027 0.000 0.928 490 D CB 0.041 40.827 40.800 -0.022 0.000 0.887 490 D HN 0.572 nan 8.370 nan 0.000 0.529 491 K N 0.000 120.428 120.400 0.047 0.000 2.780 491 K HA 0.000 4.321 4.320 0.001 0.000 0.191 491 K CA 0.000 56.319 56.287 0.054 0.000 0.838 491 K CB 0.000 32.537 32.500 0.062 0.000 1.064 491 K HN 0.000 nan 8.250 nan 0.000 0.543