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 1kr0_1_A DATA FIRST_RESID 1 DATA SEQUENCE GGIAIYWGQN GNEGTLTQTc STRKYSYVNI AFLNKFGNGQ TPQINLAGHc DATA SEQUENCE NPAAGGcTIV SNGIRScQIQ GIKVMLSLGG GIGSYTLASQ ADAKNVADYL DATA SEQUENCE WNNFLGGKSS SRPLGDAVLD GIDFAIEHGS TLYWDDLARY LSAYSKQGKK DATA SEQUENCE VYLTAAPQcP FPDRYLGTAL NTGLFDYVWV QFFNNPPcQY SSGNINNIIN DATA SEQUENCE SWNRWTTSIN AGKIFLGLPA APEAAGSGYV PPDVLISRIL PEIKKSPKYG DATA SEQUENCE GVMLWSKFYD DKNGYSSSIL DSV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 1 G HA3 0.000 3.958 3.960 -0.004 0.000 0.244 1 G C 0.000 174.967 174.900 0.111 0.000 0.946 1 G CA 0.000 45.144 45.100 0.074 0.000 0.502 2 G N -1.291 107.607 108.800 0.164 0.000 2.730 2 G HA2 0.652 4.609 3.960 -0.004 0.000 0.289 2 G HA3 0.652 4.609 3.960 -0.004 0.000 0.289 2 G C -1.235 173.896 174.900 0.385 0.000 1.341 2 G CA -0.795 44.466 45.100 0.269 0.000 0.932 2 G HN 0.637 8.927 8.290 0.000 0.000 0.481 3 I N 0.961 121.733 120.570 0.336 0.000 2.354 3 I HA 0.525 4.693 4.170 -0.004 0.000 0.292 3 I C 0.413 176.719 176.117 0.316 0.000 0.989 3 I CA -0.762 60.746 61.300 0.347 0.000 1.188 3 I CB 1.936 40.127 38.000 0.318 0.000 1.342 3 I HN 0.533 8.743 8.210 0.000 0.000 0.457 4 A N 7.040 129.940 122.820 0.134 0.000 2.292 4 A HA 0.772 5.089 4.320 -0.004 0.000 0.319 4 A C -0.909 176.501 177.584 -0.289 0.000 1.206 4 A CA -0.367 51.527 52.037 -0.240 0.000 0.835 4 A CB 1.009 19.425 19.000 -0.972 0.000 1.164 4 A HN 0.605 8.755 8.150 0.000 0.000 0.505 5 I N 1.136 121.455 120.570 -0.418 0.000 2.608 5 I HA 0.560 4.728 4.170 -0.004 0.000 0.295 5 I C -1.570 174.284 176.117 -0.440 0.000 1.049 5 I CA -0.709 60.326 61.300 -0.442 0.000 1.063 5 I CB 1.578 39.018 38.000 -0.934 0.000 1.248 5 I HN 0.588 8.798 8.210 0.000 0.000 0.424 6 Y N 5.512 125.641 120.300 -0.285 0.000 2.320 6 Y HA 0.444 4.992 4.550 -0.004 0.000 0.334 6 Y C -0.908 174.837 175.900 -0.260 0.000 1.055 6 Y CA 0.239 58.202 58.100 -0.228 0.000 1.143 6 Y CB 1.359 39.767 38.460 -0.085 0.000 1.193 6 Y HN 0.659 8.939 8.280 0.000 0.000 0.477 7 W N 2.834 123.966 121.300 -0.281 0.000 2.936 7 W HA 0.595 5.253 4.660 -0.003 0.000 0.338 7 W C 0.231 176.613 176.519 -0.228 0.000 1.121 7 W CA -0.261 56.924 57.345 -0.267 0.000 1.209 7 W CB 2.002 31.299 29.460 -0.271 0.000 1.420 7 W HN 0.653 8.833 8.180 0.000 0.000 0.516 8 G N 2.367 110.453 108.800 -1.190 0.000 2.296 8 G HA2 -0.238 3.720 3.960 -0.004 0.000 0.188 8 G HA3 -0.238 3.720 3.960 -0.004 0.000 0.188 8 G C 0.523 175.151 174.900 -0.454 0.000 1.000 8 G CA 0.003 44.461 45.100 -1.070 0.000 0.672 8 G HN 0.418 8.709 8.290 0.000 0.000 0.483 9 Q N 0.572 120.138 119.800 -0.391 0.000 2.222 9 Q HA 0.258 4.595 4.340 -0.004 0.000 0.206 9 Q C 0.074 175.897 176.000 -0.295 0.000 0.877 9 Q CA 0.097 55.772 55.803 -0.213 0.000 0.958 9 Q CB 0.410 29.145 28.738 -0.006 0.000 1.075 9 Q HN 0.544 8.814 8.270 0.000 0.000 0.483 10 N N -0.993 117.440 118.700 -0.445 0.000 2.616 10 N HA 0.090 4.828 4.740 -0.004 0.000 0.281 10 N C 0.402 175.473 175.510 -0.732 0.000 1.145 10 N CA 0.088 52.785 53.050 -0.588 0.000 0.919 10 N CB 1.320 39.316 38.487 -0.819 0.000 1.509 10 N HN 0.088 8.468 8.380 0.000 0.000 0.537 11 G N 1.841 110.178 108.800 -0.772 0.000 2.535 11 G HA2 -0.210 3.748 3.960 -0.004 0.000 0.218 11 G HA3 -0.210 3.748 3.960 -0.004 0.000 0.218 11 G C 0.842 175.468 174.900 -0.457 0.000 1.122 11 G CA 0.436 45.002 45.100 -0.890 0.000 0.769 11 G HN 0.612 8.902 8.290 0.000 0.000 0.549 12 N N 0.729 119.240 118.700 -0.315 0.000 2.270 12 N HA 0.010 4.748 4.740 -0.004 0.000 0.198 12 N C 1.647 177.223 175.510 0.111 0.000 1.117 12 N CA 0.489 53.497 53.050 -0.071 0.000 0.845 12 N CB 0.291 38.761 38.487 -0.027 0.000 0.980 12 N HN 0.754 9.134 8.380 0.000 0.000 0.486 13 E N 0.546 120.811 120.200 0.109 0.000 2.489 13 E HA 0.213 4.560 4.350 -0.004 0.000 0.193 13 E C 0.502 177.270 176.600 0.279 0.000 1.057 13 E CA -0.014 56.528 56.400 0.237 0.000 0.866 13 E CB 0.119 29.930 29.700 0.184 0.000 0.916 13 E HN 0.053 8.413 8.360 0.000 0.000 0.500 14 G N 1.294 110.274 108.800 0.300 0.000 2.662 14 G HA2 -0.224 3.734 3.960 -0.004 0.000 0.686 14 G HA3 -0.224 3.734 3.960 -0.004 0.000 0.686 14 G C 0.021 175.204 174.900 0.472 0.000 1.271 14 G CA -0.426 44.855 45.100 0.301 0.000 0.816 14 G HN 0.410 8.700 8.290 0.000 0.000 0.608 15 T N -1.057 113.663 114.554 0.275 0.000 2.766 15 T HA 0.454 4.801 4.350 -0.004 0.000 0.295 15 T C 1.757 176.380 174.700 -0.128 0.000 1.024 15 T CA 0.443 62.656 62.100 0.190 0.000 1.018 15 T CB 1.192 70.101 68.868 0.069 0.000 1.002 15 T HN 1.658 9.898 8.240 0.000 0.000 0.532 16 L N 1.144 122.028 121.223 -0.564 0.000 2.131 16 L HA 0.038 4.376 4.340 -0.004 0.000 0.210 16 L C 2.636 179.209 176.870 -0.495 0.000 1.092 16 L CA 1.999 56.213 54.840 -1.043 0.000 0.759 16 L CB -1.477 39.873 42.059 -1.181 0.000 0.903 16 L HN 0.972 9.202 8.230 0.000 0.000 0.435 17 T N -0.759 113.622 114.554 -0.288 0.000 2.708 17 T HA -0.208 4.140 4.350 -0.004 0.000 0.266 17 T C 1.797 176.423 174.700 -0.123 0.000 1.037 17 T CA 1.758 63.754 62.100 -0.173 0.000 1.146 17 T CB -0.144 68.658 68.868 -0.110 0.000 0.865 17 T HN 0.481 8.721 8.240 0.000 0.000 0.435 18 Q N 0.364 120.112 119.800 -0.086 0.000 2.084 18 Q HA -0.094 4.244 4.340 -0.004 0.000 0.202 18 Q C 2.648 178.633 176.000 -0.024 0.000 0.978 18 Q CA 1.553 57.337 55.803 -0.032 0.000 0.844 18 Q CB -0.459 28.290 28.738 0.018 0.000 0.898 18 Q HN 0.426 8.696 8.270 0.000 0.000 0.426 19 T N 0.279 114.798 114.554 -0.058 0.000 2.684 19 T HA -0.193 4.155 4.350 -0.004 0.000 0.267 19 T C 1.976 176.715 174.700 0.065 0.000 1.036 19 T CA 1.320 63.426 62.100 0.010 0.000 1.148 19 T CB -0.347 68.408 68.868 -0.188 0.000 0.863 19 T HN 0.392 8.632 8.240 0.000 0.000 0.436 20 c N 1.873 120.436 118.600 -0.061 0.000 2.464 20 c HA 0.040 4.608 4.570 -0.004 0.000 0.278 20 c C 3.077 177.134 174.090 -0.054 0.000 1.375 20 c CA 0.731 57.034 56.329 -0.043 0.000 1.761 20 c CB -1.208 41.234 42.510 -0.114 0.000 1.944 20 c HN 0.726 8.956 8.230 0.000 0.000 0.509 21 S N 0.972 116.635 115.700 -0.061 0.000 2.607 21 S HA -0.111 4.356 4.470 -0.004 0.000 0.224 21 S C 1.520 176.079 174.600 -0.070 0.000 0.969 21 S CA 1.428 59.590 58.200 -0.063 0.000 0.927 21 S CB -0.918 62.250 63.200 -0.054 0.000 0.772 21 S HN 0.765 9.075 8.310 0.000 0.000 0.533 22 T N -0.280 114.227 114.554 -0.079 0.000 2.995 22 T HA 0.057 4.404 4.350 -0.004 0.000 0.269 22 T C 0.974 175.569 174.700 -0.175 0.000 1.091 22 T CA 0.605 62.629 62.100 -0.127 0.000 1.128 22 T CB -0.702 68.060 68.868 -0.175 0.000 0.891 22 T HN 0.564 8.804 8.240 0.000 0.000 0.492 23 R N 0.058 120.456 120.500 -0.170 0.000 3.878 23 R HA -0.157 4.181 4.340 -0.004 0.000 0.330 23 R C 0.878 177.045 176.300 -0.221 0.000 1.186 23 R CA 1.273 57.278 56.100 -0.158 0.000 0.885 23 R CB -1.812 28.420 30.300 -0.114 0.000 1.377 23 R HN 0.474 8.744 8.270 0.000 0.000 0.523 24 K N -0.527 119.628 120.400 -0.408 0.000 2.367 24 K HA 0.111 4.428 4.320 -0.004 0.000 0.195 24 K C -0.209 176.115 176.600 -0.461 0.000 1.060 24 K CA 0.629 56.611 56.287 -0.509 0.000 1.022 24 K CB 0.420 32.477 32.500 -0.739 0.000 0.894 24 K HN 0.038 8.288 8.250 0.000 0.000 0.540 25 Y N -0.271 119.999 120.300 -0.049 0.000 2.409 25 Y HA 0.235 4.783 4.550 -0.004 0.000 0.339 25 Y C 1.104 176.931 175.900 -0.123 0.000 1.033 25 Y CA -1.059 57.006 58.100 -0.060 0.000 1.094 25 Y CB 1.967 40.381 38.460 -0.077 0.000 1.210 25 Y HN -0.215 8.065 8.280 0.000 0.000 0.456 26 S N 0.384 116.089 115.700 0.008 0.000 2.506 26 S HA 0.218 4.686 4.470 -0.004 0.000 0.219 26 S C -0.926 173.272 174.600 -0.670 0.000 1.031 26 S CA 0.125 58.119 58.200 -0.343 0.000 0.911 26 S CB 0.104 63.055 63.200 -0.415 0.000 0.812 26 S HN 0.540 8.850 8.310 0.000 0.000 0.497 27 Y N 0.147 120.386 120.300 -0.103 0.000 2.492 27 Y HA 0.645 5.193 4.550 -0.003 0.000 0.346 27 Y C -0.666 175.054 175.900 -0.300 0.000 0.997 27 Y CA -1.172 56.801 58.100 -0.210 0.000 1.025 27 Y CB 1.388 39.675 38.460 -0.289 0.000 1.263 27 Y HN -0.283 7.997 8.280 0.000 0.000 0.454 28 V N 3.200 123.023 119.914 -0.151 0.000 2.483 28 V HA 0.407 4.525 4.120 -0.004 0.000 0.297 28 V C -0.958 174.969 176.094 -0.279 0.000 1.027 28 V CA -1.089 61.051 62.300 -0.267 0.000 0.855 28 V CB 1.732 33.409 31.823 -0.243 0.000 0.995 28 V HN 0.737 8.927 8.190 0.000 0.000 0.424 29 N N 4.761 123.188 118.700 -0.456 0.000 2.424 29 N HA 0.530 5.268 4.740 -0.004 0.000 0.271 29 N C -0.632 174.738 175.510 -0.234 0.000 0.985 29 N CA -0.334 52.451 53.050 -0.441 0.000 0.921 29 N CB 2.446 40.326 38.487 -1.011 0.000 1.149 29 N HN 0.566 8.946 8.380 0.000 0.000 0.492 30 I N 1.719 122.244 120.570 -0.075 0.000 2.337 30 I HA 0.249 4.416 4.170 -0.004 0.000 0.291 30 I C 0.457 176.534 176.117 -0.066 0.000 1.046 30 I CA -0.420 60.906 61.300 0.043 0.000 1.324 30 I CB 0.704 38.764 38.000 0.099 0.000 1.409 30 I HN 0.358 8.568 8.210 0.000 0.000 0.494 31 A N 7.487 130.170 122.820 -0.228 0.000 2.318 31 A HA 0.868 5.186 4.320 -0.004 0.000 0.324 31 A C -1.031 176.370 177.584 -0.304 0.000 1.170 31 A CA -0.226 51.396 52.037 -0.691 0.000 0.810 31 A CB 0.573 18.582 19.000 -1.652 0.000 1.198 31 A HN 0.550 8.700 8.150 0.000 0.000 0.484 32 F N 0.318 120.331 119.950 0.106 0.000 2.662 32 F HA 0.492 5.017 4.527 -0.004 0.000 0.312 32 F C -0.472 175.376 175.800 0.081 0.000 1.113 32 F CA -0.727 57.331 58.000 0.097 0.000 0.951 32 F CB 2.188 41.245 39.000 0.094 0.000 1.344 32 F HN 0.398 8.698 8.300 0.000 0.000 0.462 33 L N 3.528 124.930 121.223 0.299 0.000 2.353 33 L HA 0.376 4.714 4.340 -0.004 0.000 0.269 33 L C 0.604 177.670 176.870 0.327 0.000 1.085 33 L CA -0.117 54.873 54.840 0.250 0.000 0.938 33 L CB -0.336 41.795 42.059 0.120 0.000 1.312 33 L HN 0.588 8.818 8.230 0.000 0.000 0.429 34 N N 2.809 121.680 118.700 0.285 0.000 2.336 34 N HA -0.016 4.722 4.740 -0.004 0.000 0.189 34 N C -0.036 175.620 175.510 0.243 0.000 1.113 34 N CA -0.016 53.168 53.050 0.223 0.000 0.858 34 N CB 0.258 38.863 38.487 0.196 0.000 0.970 34 N HN 0.544 8.924 8.380 0.000 0.000 0.471 35 K N 0.299 120.852 120.400 0.254 0.000 2.578 35 K HA 0.375 4.693 4.320 -0.004 0.000 0.250 35 K C -1.763 174.985 176.600 0.247 0.000 0.955 35 K CA -0.679 55.694 56.287 0.144 0.000 0.825 35 K CB 0.915 33.489 32.500 0.123 0.000 1.151 35 K HN 0.056 8.306 8.250 0.000 0.000 0.432 36 F N 0.491 120.524 119.950 0.137 0.000 2.842 36 F HA 0.643 5.168 4.527 -0.004 0.000 0.319 36 F C -0.431 175.427 175.800 0.098 0.000 1.159 36 F CA -0.201 57.843 58.000 0.073 0.000 0.902 36 F CB 0.356 39.397 39.000 0.069 0.000 1.311 36 F HN 0.719 9.019 8.300 0.000 0.000 0.453 37 G N 1.892 110.893 108.800 0.336 0.000 2.730 37 G HA2 0.246 4.204 3.960 -0.004 0.000 0.686 37 G HA3 0.246 4.204 3.960 -0.004 0.000 0.686 37 G C -0.270 174.673 174.900 0.073 0.000 1.343 37 G CA 0.243 45.468 45.100 0.208 0.000 0.826 37 G HN 2.536 10.826 8.290 0.000 0.000 0.582 38 N N -0.875 117.851 118.700 0.045 0.000 2.735 38 N HA 0.115 4.852 4.740 -0.004 0.000 0.248 38 N C 1.901 177.419 175.510 0.013 0.000 1.083 38 N CA 3.183 56.243 53.050 0.016 0.000 0.703 38 N CB -0.986 37.505 38.487 0.007 0.000 1.005 38 N HN 2.732 11.112 8.380 0.000 0.000 0.550 39 G N -1.991 106.819 108.800 0.018 0.000 2.205 39 G HA2 -0.357 3.600 3.960 -0.004 0.000 0.261 39 G HA3 -0.357 3.600 3.960 -0.004 0.000 0.261 39 G C -0.052 174.854 174.900 0.011 0.000 0.980 39 G CA 0.565 45.671 45.100 0.011 0.000 0.632 39 G HN 0.679 8.969 8.290 0.000 0.000 0.533 40 Q N 0.754 120.564 119.800 0.017 0.000 2.373 40 Q HA 0.461 4.798 4.340 -0.004 0.000 0.255 40 Q C 0.015 176.018 176.000 0.004 0.000 0.980 40 Q CA 0.383 56.196 55.803 0.016 0.000 0.882 40 Q CB 0.606 29.357 28.738 0.023 0.000 1.249 40 Q HN 0.200 8.470 8.270 0.000 0.000 0.438 41 T N 4.248 118.803 114.554 0.001 0.000 2.752 41 T HA 0.195 4.543 4.350 -0.004 0.000 0.295 41 T C -2.249 172.439 174.700 -0.019 0.000 0.923 41 T CA -1.188 60.899 62.100 -0.022 0.000 1.112 41 T CB 0.305 69.178 68.868 0.009 0.000 0.884 41 T HN 0.325 8.565 8.240 0.000 0.000 0.525 42 P HA 0.094 4.514 4.420 0.000 0.000 0.264 42 P C -0.487 176.879 177.300 0.110 0.000 1.183 42 P CA -0.001 63.073 63.100 -0.044 0.000 0.763 42 P CB 0.440 31.841 31.700 -0.499 0.000 0.807 43 Q N 2.429 122.346 119.800 0.194 0.000 2.315 43 Q HA 0.544 4.882 4.340 -0.004 0.000 0.273 43 Q C -1.495 174.649 176.000 0.240 0.000 1.053 43 Q CA -0.831 55.093 55.803 0.201 0.000 0.817 43 Q CB 1.880 30.704 28.738 0.142 0.000 1.326 43 Q HN 0.387 8.657 8.270 0.000 0.000 0.423 44 I N 2.966 123.684 120.570 0.247 0.000 2.488 44 I HA 0.424 4.592 4.170 -0.004 0.000 0.299 44 I C -1.116 175.110 176.117 0.182 0.000 0.984 44 I CA -0.521 60.919 61.300 0.234 0.000 1.250 44 I CB 1.186 39.344 38.000 0.263 0.000 1.389 44 I HN 0.639 8.849 8.210 0.000 0.000 0.488 45 N N 7.846 126.652 118.700 0.176 0.000 2.448 45 N HA 0.310 5.047 4.740 -0.004 0.000 0.279 45 N C -1.241 174.330 175.510 0.100 0.000 1.025 45 N CA -0.419 52.714 53.050 0.138 0.000 0.898 45 N CB 1.509 40.091 38.487 0.159 0.000 1.303 45 N HN 0.672 9.052 8.380 0.000 0.000 0.495 46 L N 3.421 124.678 121.223 0.057 0.000 3.141 46 L HA 0.378 4.715 4.340 -0.004 0.000 0.263 46 L C 1.239 178.094 176.870 -0.026 0.000 1.312 46 L CA -0.223 54.614 54.840 -0.004 0.000 1.012 46 L CB -0.227 41.837 42.059 0.007 0.000 1.408 46 L HN 0.758 8.988 8.230 0.000 0.000 0.559 47 A N 0.941 123.735 122.820 -0.043 0.000 5.481 47 A HA -0.321 3.996 4.320 -0.004 0.000 0.318 47 A C 1.485 178.993 177.584 -0.128 0.000 1.837 47 A CA 1.378 53.349 52.037 -0.109 0.000 0.717 47 A CB -1.644 17.224 19.000 -0.219 0.000 1.349 47 A HN 0.589 8.739 8.150 0.000 0.000 0.388 48 G N -2.664 105.991 108.800 -0.240 0.000 3.088 48 G HA2 0.299 4.256 3.960 -0.004 0.000 0.212 48 G HA3 0.299 4.256 3.960 -0.004 0.000 0.212 48 G C 0.926 175.715 174.900 -0.184 0.000 1.173 48 G CA 1.123 46.104 45.100 -0.198 0.000 0.779 48 G HN 0.756 9.046 8.290 0.000 0.000 0.540 49 H N 0.250 119.252 119.070 -0.113 0.000 2.293 49 H HA -0.021 4.532 4.556 -0.004 0.000 0.300 49 H C 1.390 176.717 175.328 -0.001 0.000 1.082 49 H CA 1.473 57.483 56.048 -0.064 0.000 1.308 49 H CB -0.175 29.513 29.762 -0.124 0.000 1.375 49 H HN 0.524 8.804 8.280 0.000 0.000 0.495 50 c N -1.183 117.495 118.600 0.130 0.000 3.312 50 c HA 0.469 5.036 4.570 -0.004 0.000 0.332 50 c C -0.498 173.633 174.090 0.069 0.000 1.340 50 c CA -1.390 54.995 56.329 0.094 0.000 1.265 50 c CB 1.855 44.435 42.510 0.116 0.000 1.563 50 c HN 0.368 8.598 8.230 0.000 0.000 0.471 51 N N 1.957 120.691 118.700 0.058 0.000 2.424 51 N HA 0.439 5.176 4.740 -0.004 0.000 0.271 51 N C -1.435 174.113 175.510 0.062 0.000 0.985 51 N CA -1.674 51.408 53.050 0.052 0.000 0.921 51 N CB 2.194 40.704 38.487 0.038 0.000 1.149 51 N HN 0.628 9.008 8.380 0.000 0.000 0.492 52 P HA -0.080 4.340 4.420 0.000 0.000 0.221 52 P C 0.155 177.494 177.300 0.065 0.000 1.145 52 P CA 0.504 63.655 63.100 0.084 0.000 0.795 52 P CB 0.177 31.944 31.700 0.111 0.000 0.775 53 A N 0.523 123.376 122.820 0.055 0.000 2.498 53 A HA 0.397 4.715 4.320 -0.004 0.000 0.239 53 A C 1.228 178.833 177.584 0.034 0.000 1.068 53 A CA 0.511 52.574 52.037 0.043 0.000 0.766 53 A CB -0.881 18.141 19.000 0.037 0.000 1.003 53 A HN 0.329 8.479 8.150 0.000 0.000 0.497 54 A N 1.436 124.273 122.820 0.028 0.000 2.783 54 A HA 0.203 4.521 4.320 -0.004 0.000 0.292 54 A C 1.942 179.537 177.584 0.018 0.000 1.495 54 A CA 1.500 53.549 52.037 0.020 0.000 0.787 54 A CB -1.858 17.153 19.000 0.018 0.000 1.017 54 A HN 3.126 11.275 8.150 0.000 0.000 0.516 55 G N -2.547 106.265 108.800 0.021 0.000 2.249 55 G HA2 0.014 3.971 3.960 -0.004 0.000 0.273 55 G HA3 0.014 3.971 3.960 -0.004 0.000 0.273 55 G C 1.737 176.653 174.900 0.026 0.000 1.036 55 G CA 1.153 46.264 45.100 0.017 0.000 0.824 55 G HN 2.285 10.575 8.290 0.000 0.000 0.504 56 G N -1.355 107.467 108.800 0.036 0.000 2.509 56 G HA2 0.015 3.972 3.960 -0.004 0.000 0.218 56 G HA3 0.015 3.972 3.960 -0.004 0.000 0.218 56 G C 1.458 176.391 174.900 0.056 0.000 1.124 56 G CA 1.662 46.787 45.100 0.042 0.000 0.776 56 G HN 0.764 9.054 8.290 0.000 0.000 0.547 57 c N 1.081 119.719 118.600 0.064 0.000 2.974 57 c HA 0.198 4.766 4.570 -0.004 0.000 0.282 57 c C 2.783 176.914 174.090 0.069 0.000 1.292 57 c CA 0.334 56.714 56.329 0.085 0.000 1.710 57 c CB -0.575 42.003 42.510 0.113 0.000 2.036 57 c HN 0.589 8.819 8.230 0.000 0.000 0.629 58 T N -1.108 113.470 114.554 0.041 0.000 3.051 58 T HA -0.117 4.230 4.350 -0.004 0.000 0.269 58 T C 1.465 176.175 174.700 0.016 0.000 1.127 58 T CA 0.863 62.974 62.100 0.018 0.000 1.107 58 T CB -0.416 68.451 68.868 -0.002 0.000 0.898 58 T HN 0.367 8.607 8.240 0.000 0.000 0.517 59 I N 1.352 121.939 120.570 0.028 0.000 2.756 59 I HA 0.023 4.191 4.170 -0.004 0.000 0.262 59 I C 2.045 178.170 176.117 0.013 0.000 1.225 59 I CA 0.317 61.630 61.300 0.021 0.000 1.472 59 I CB -0.266 37.755 38.000 0.035 0.000 1.094 59 I HN 0.119 8.329 8.210 0.000 0.000 0.454 60 V N -0.271 119.661 119.914 0.031 0.000 2.759 60 V HA -0.210 3.907 4.120 -0.004 0.000 0.256 60 V C 2.537 178.608 176.094 -0.039 0.000 1.080 60 V CA 1.697 64.001 62.300 0.007 0.000 1.101 60 V CB -0.912 30.955 31.823 0.074 0.000 0.698 60 V HN 0.428 8.618 8.190 0.000 0.000 0.477 61 S N 0.616 116.303 115.700 -0.022 0.000 2.400 61 S HA -0.200 4.268 4.470 -0.004 0.000 0.232 61 S C 1.916 176.483 174.600 -0.055 0.000 1.025 61 S CA 1.368 59.546 58.200 -0.037 0.000 0.993 61 S CB -0.416 62.764 63.200 -0.033 0.000 0.808 61 S HN 0.661 8.971 8.310 0.000 0.000 0.478 62 N N 1.177 119.845 118.700 -0.053 0.000 2.166 62 N HA -0.062 4.676 4.740 -0.004 0.000 0.186 62 N C 1.905 177.362 175.510 -0.089 0.000 1.019 62 N CA 1.283 54.297 53.050 -0.060 0.000 0.856 62 N CB -0.726 37.733 38.487 -0.046 0.000 0.993 62 N HN 0.492 8.872 8.380 0.000 0.000 0.426 63 G N 1.348 110.074 108.800 -0.124 0.000 2.403 63 G HA2 -0.095 3.863 3.960 -0.004 0.000 0.216 63 G HA3 -0.095 3.863 3.960 -0.004 0.000 0.216 63 G C 1.710 176.494 174.900 -0.192 0.000 1.154 63 G CA 0.143 45.129 45.100 -0.191 0.000 0.784 63 G HN 0.210 8.500 8.290 0.000 0.000 0.538 64 I N 0.361 120.835 120.570 -0.161 0.000 2.127 64 I HA -0.209 3.958 4.170 -0.004 0.000 0.241 64 I C 3.049 179.104 176.117 -0.104 0.000 1.075 64 I CA 1.196 62.417 61.300 -0.132 0.000 1.334 64 I CB -0.243 37.708 38.000 -0.083 0.000 1.040 64 I HN 0.100 8.310 8.210 0.000 0.000 0.405 65 R N 0.062 120.512 120.500 -0.083 0.000 2.096 65 R HA -0.143 4.194 4.340 -0.004 0.000 0.235 65 R C 2.516 178.772 176.300 -0.074 0.000 1.127 65 R CA 1.569 57.628 56.100 -0.068 0.000 0.968 65 R CB -0.545 29.722 30.300 -0.055 0.000 0.861 65 R HN 0.296 8.566 8.270 0.000 0.000 0.440 66 S N 0.319 115.967 115.700 -0.087 0.000 2.382 66 S HA -0.160 4.307 4.470 -0.004 0.000 0.228 66 S C 2.080 176.623 174.600 -0.095 0.000 1.027 66 S CA 1.267 59.415 58.200 -0.086 0.000 0.991 66 S CB -0.158 62.984 63.200 -0.096 0.000 0.823 66 S HN 0.450 8.760 8.310 0.000 0.000 0.469 67 c N 1.185 119.715 118.600 -0.117 0.000 2.476 67 c HA 0.028 4.596 4.570 -0.004 0.000 0.278 67 c C 2.786 176.815 174.090 -0.102 0.000 1.274 67 c CA 0.553 56.810 56.329 -0.121 0.000 1.713 67 c CB -1.450 40.968 42.510 -0.154 0.000 2.039 67 c HN 0.665 8.895 8.230 0.000 0.000 0.484 68 Q N 1.096 120.842 119.800 -0.090 0.000 2.124 68 Q HA -0.157 4.180 4.340 -0.004 0.000 0.202 68 Q C 2.056 178.020 176.000 -0.060 0.000 0.977 68 Q CA 1.736 57.495 55.803 -0.072 0.000 0.850 68 Q CB -0.387 28.317 28.738 -0.056 0.000 0.901 68 Q HN 0.870 9.140 8.270 0.000 0.000 0.429 69 I N -1.964 118.572 120.570 -0.056 0.000 2.614 69 I HA -0.191 3.976 4.170 -0.004 0.000 0.258 69 I C 1.401 177.488 176.117 -0.049 0.000 1.189 69 I CA 1.202 62.475 61.300 -0.046 0.000 1.462 69 I CB -0.232 37.742 38.000 -0.042 0.000 1.092 69 I HN 0.079 8.289 8.210 0.000 0.000 0.442 70 Q N 1.584 121.346 119.800 -0.063 0.000 2.320 70 Q HA 0.217 4.554 4.340 -0.004 0.000 0.201 70 Q C 1.367 177.322 176.000 -0.076 0.000 0.910 70 Q CA 0.484 56.248 55.803 -0.067 0.000 0.946 70 Q CB 0.644 29.337 28.738 -0.075 0.000 1.062 70 Q HN 0.808 9.078 8.270 0.000 0.000 0.503 71 G N 1.328 110.083 108.800 -0.075 0.000 2.143 71 G HA2 -0.269 3.688 3.960 -0.004 0.000 0.249 71 G HA3 -0.269 3.688 3.960 -0.004 0.000 0.249 71 G C 0.101 174.918 174.900 -0.137 0.000 0.981 71 G CA -0.193 44.856 45.100 -0.085 0.000 0.665 71 G HN 0.335 8.625 8.290 0.000 0.000 0.528 72 I N 0.955 121.437 120.570 -0.145 0.000 2.342 72 I HA 0.280 4.447 4.170 -0.004 0.000 0.291 72 I C 0.661 176.673 176.117 -0.175 0.000 1.010 72 I CA -0.450 60.732 61.300 -0.197 0.000 1.308 72 I CB 1.102 39.006 38.000 -0.160 0.000 1.400 72 I HN -0.048 8.162 8.210 0.000 0.000 0.488 73 K N 5.414 125.687 120.400 -0.211 0.000 2.234 73 K HA 0.493 4.810 4.320 -0.004 0.000 0.282 73 K C -0.971 175.592 176.600 -0.061 0.000 1.039 73 K CA -0.510 55.703 56.287 -0.123 0.000 0.928 73 K CB 1.659 34.094 32.500 -0.108 0.000 1.039 73 K HN 0.312 8.562 8.250 0.000 0.000 0.470 74 V N 4.695 124.579 119.914 -0.049 0.000 2.409 74 V HA 0.345 4.462 4.120 -0.004 0.000 0.291 74 V C -0.530 175.569 176.094 0.008 0.000 1.020 74 V CA -0.847 61.425 62.300 -0.047 0.000 0.848 74 V CB 1.316 33.090 31.823 -0.081 0.000 0.990 74 V HN 0.707 8.897 8.190 0.000 0.000 0.430 75 M N 4.667 124.278 119.600 0.019 0.000 2.578 75 M HA 0.601 5.078 4.480 -0.004 0.000 0.321 75 M C -0.854 175.453 176.300 0.013 0.000 1.182 75 M CA -0.630 54.711 55.300 0.067 0.000 0.965 75 M CB 1.797 34.496 32.600 0.165 0.000 1.694 75 M HN 0.550 8.840 8.290 0.000 0.000 0.461 76 L N 1.132 122.352 121.223 -0.005 0.000 2.264 76 L HA 0.586 4.923 4.340 -0.004 0.000 0.289 76 L C -0.385 176.477 176.870 -0.013 0.000 1.044 76 L CA 0.255 55.036 54.840 -0.097 0.000 0.807 76 L CB 1.085 42.941 42.059 -0.339 0.000 1.192 76 L HN 0.702 8.932 8.230 0.000 0.000 0.425 77 S N 5.684 121.420 115.700 0.061 0.000 2.475 77 S HA 0.579 5.047 4.470 -0.004 0.000 0.281 77 S C -0.375 174.364 174.600 0.232 0.000 1.198 77 S CA -0.669 57.668 58.200 0.228 0.000 1.063 77 S CB 0.064 63.514 63.200 0.416 0.000 0.972 77 S HN 0.596 8.906 8.310 0.000 0.000 0.486 78 L N 5.253 126.519 121.223 0.072 0.000 2.312 78 L HA 0.674 5.011 4.340 -0.004 0.000 0.281 78 L C 1.259 177.980 176.870 -0.248 0.000 1.070 78 L CA -0.037 54.772 54.840 -0.051 0.000 0.805 78 L CB 0.757 42.658 42.059 -0.264 0.000 1.174 78 L HN 1.019 9.249 8.230 0.000 0.000 0.434 79 G N 2.022 110.514 108.800 -0.514 0.000 2.662 79 G HA2 0.252 4.209 3.960 -0.004 0.000 0.236 79 G HA3 0.252 4.209 3.960 -0.004 0.000 0.236 79 G C 0.106 174.311 174.900 -1.158 0.000 1.212 79 G CA -0.186 44.054 45.100 -1.434 0.000 0.968 79 G HN 1.568 9.858 8.290 0.000 0.000 0.576 80 G N -2.205 105.880 108.800 -1.193 0.000 2.525 80 G HA2 0.449 4.407 3.960 -0.004 0.000 0.685 80 G HA3 0.449 4.407 3.960 -0.004 0.000 0.685 80 G C 1.205 175.748 174.900 -0.595 0.000 1.290 80 G CA 0.905 45.118 45.100 -1.478 0.000 0.915 80 G HN 2.288 10.578 8.290 0.000 0.000 0.548 81 G N -0.951 107.599 108.800 -0.418 0.000 2.534 81 G HA2 0.370 4.328 3.960 -0.004 0.000 0.217 81 G HA3 0.370 4.328 3.960 -0.004 0.000 0.217 81 G C 0.744 175.683 174.900 0.065 0.000 1.128 81 G CA 1.209 46.227 45.100 -0.136 0.000 0.784 81 G HN 0.878 9.168 8.290 0.000 0.000 0.542 82 I N -0.133 120.467 120.570 0.050 0.000 2.466 82 I HA 0.652 4.819 4.170 -0.004 0.000 0.289 82 I C 0.142 176.349 176.117 0.151 0.000 1.026 82 I CA -0.570 60.792 61.300 0.103 0.000 1.078 82 I CB 2.246 40.283 38.000 0.061 0.000 1.249 82 I HN 0.143 8.353 8.210 0.000 0.000 0.429 83 G N 2.705 111.584 108.800 0.132 0.000 2.352 83 G HA2 0.142 4.099 3.960 -0.004 0.000 0.305 83 G HA3 0.142 4.099 3.960 -0.004 0.000 0.305 83 G C -0.496 174.364 174.900 -0.066 0.000 1.537 83 G CA -0.353 44.816 45.100 0.116 0.000 0.959 83 G HN 0.629 8.919 8.290 0.000 0.000 0.668 84 S N -0.418 115.231 115.700 -0.085 0.000 2.526 84 S HA 0.443 4.911 4.470 -0.004 0.000 0.247 84 S C 0.398 174.859 174.600 -0.231 0.000 1.076 84 S CA -0.360 57.738 58.200 -0.171 0.000 1.105 84 S CB -0.792 62.353 63.200 -0.092 0.000 0.793 84 S HN 1.424 9.734 8.310 0.000 0.000 0.458 85 Y N -0.317 119.832 120.300 -0.251 0.000 2.336 85 Y HA 0.764 5.312 4.550 -0.004 0.000 0.331 85 Y C 0.417 176.124 175.900 -0.321 0.000 1.211 85 Y CA -0.480 57.238 58.100 -0.636 0.000 1.346 85 Y CB 0.369 38.206 38.460 -1.039 0.000 1.271 85 Y HN 0.202 8.482 8.280 0.000 0.000 0.538 86 T N 2.748 117.225 114.554 -0.129 0.000 2.676 86 T HA 0.488 4.836 4.350 -0.004 0.000 0.308 86 T C -2.268 172.490 174.700 0.096 0.000 1.740 86 T CA -0.954 61.231 62.100 0.143 0.000 0.982 86 T CB 0.522 69.422 68.868 0.054 0.000 1.724 86 T HN 0.784 9.024 8.240 0.000 0.000 0.497 87 L N 2.382 123.593 121.223 -0.019 0.000 2.406 87 L HA 0.658 4.996 4.340 -0.004 0.000 0.270 87 L C 1.134 178.021 176.870 0.028 0.000 0.982 87 L CA -0.856 53.944 54.840 -0.068 0.000 0.843 87 L CB 1.719 43.589 42.059 -0.315 0.000 1.225 87 L HN 0.897 9.127 8.230 0.000 0.000 0.412 88 A N 2.202 125.015 122.820 -0.013 0.000 2.016 88 A HA 0.187 4.504 4.320 -0.004 0.000 0.217 88 A C 0.896 178.406 177.584 -0.124 0.000 1.162 88 A CA 1.224 53.259 52.037 -0.003 0.000 0.662 88 A CB 0.019 19.009 19.000 -0.016 0.000 0.812 88 A HN 0.727 8.877 8.150 0.000 0.000 0.450 89 S N -3.190 112.229 115.700 -0.468 0.000 2.703 89 S HA 0.313 4.780 4.470 -0.004 0.000 0.273 89 S C 0.295 174.178 174.600 -1.194 0.000 1.178 89 S CA 0.124 57.739 58.200 -0.976 0.000 0.838 89 S CB 0.820 63.785 63.200 -0.392 0.000 1.178 89 S HN 0.178 8.488 8.310 0.000 0.000 0.494 90 Q N -0.105 119.144 119.800 -0.919 0.000 2.230 90 Q HA 0.053 4.390 4.340 -0.004 0.000 0.202 90 Q C 2.001 177.940 176.000 -0.101 0.000 0.963 90 Q CA 1.374 56.976 55.803 -0.335 0.000 0.866 90 Q CB -0.531 28.182 28.738 -0.042 0.000 0.931 90 Q HN 0.842 9.112 8.270 0.000 0.000 0.452 91 A N 0.645 123.373 122.820 -0.154 0.000 1.969 91 A HA -0.179 4.138 4.320 -0.004 0.000 0.218 91 A C 1.707 179.239 177.584 -0.086 0.000 1.169 91 A CA 1.620 53.599 52.037 -0.097 0.000 0.635 91 A CB -0.474 18.473 19.000 -0.087 0.000 0.810 91 A HN 0.460 8.610 8.150 0.000 0.000 0.445 92 D N -0.042 120.287 120.400 -0.118 0.000 2.144 92 D HA -0.002 4.635 4.640 -0.004 0.000 0.200 92 D C 2.087 178.390 176.300 0.005 0.000 0.978 92 D CA 1.352 55.317 54.000 -0.058 0.000 0.833 92 D CB -0.186 40.562 40.800 -0.086 0.000 0.961 92 D HN 0.318 8.688 8.370 0.000 0.000 0.470 93 A N 0.646 123.472 122.820 0.011 0.000 1.902 93 A HA -0.201 4.116 4.320 -0.004 0.000 0.217 93 A C 2.150 179.863 177.584 0.216 0.000 1.181 93 A CA 1.859 53.996 52.037 0.167 0.000 0.623 93 A CB -0.579 18.582 19.000 0.268 0.000 0.818 93 A HN 0.255 8.405 8.150 0.000 0.000 0.443 94 K N -0.140 120.274 120.400 0.023 0.000 2.057 94 K HA -0.141 4.177 4.320 -0.004 0.000 0.206 94 K C 1.792 178.348 176.600 -0.074 0.000 1.050 94 K CA 1.560 57.656 56.287 -0.318 0.000 0.935 94 K CB -0.330 31.822 32.500 -0.580 0.000 0.715 94 K HN 0.662 8.912 8.250 0.000 0.000 0.439 95 N N -0.063 118.630 118.700 -0.012 0.000 2.120 95 N HA -0.154 4.584 4.740 -0.004 0.000 0.188 95 N C 1.737 177.327 175.510 0.133 0.000 1.024 95 N CA 1.282 54.363 53.050 0.052 0.000 0.852 95 N CB 0.043 38.551 38.487 0.036 0.000 1.003 95 N HN -0.026 8.354 8.380 0.000 0.000 0.424 96 V N 1.392 121.388 119.914 0.137 0.000 2.427 96 V HA -0.179 3.938 4.120 -0.004 0.000 0.248 96 V C 2.357 178.591 176.094 0.234 0.000 1.051 96 V CA 1.749 64.152 62.300 0.172 0.000 1.048 96 V CB -0.795 31.088 31.823 0.101 0.000 0.666 96 V HN 0.326 8.516 8.190 0.000 0.000 0.456 97 A N 0.152 123.111 122.820 0.230 0.000 1.877 97 A HA -0.240 4.077 4.320 -0.004 0.000 0.216 97 A C 2.005 179.776 177.584 0.311 0.000 1.186 97 A CA 1.999 54.214 52.037 0.298 0.000 0.620 97 A CB -0.618 18.601 19.000 0.364 0.000 0.822 97 A HN 0.532 8.682 8.150 0.000 0.000 0.443 98 D N -1.606 118.962 120.400 0.280 0.000 2.144 98 D HA -0.159 4.479 4.640 -0.004 0.000 0.199 98 D C 1.674 178.111 176.300 0.228 0.000 0.984 98 D CA 1.619 55.783 54.000 0.274 0.000 0.834 98 D CB -0.506 40.421 40.800 0.213 0.000 0.955 98 D HN 0.633 9.003 8.370 0.000 0.000 0.465 99 Y N 1.658 122.034 120.300 0.126 0.000 2.114 99 Y HA -0.175 4.373 4.550 -0.004 0.000 0.284 99 Y C 2.214 178.185 175.900 0.117 0.000 1.143 99 Y CA 1.362 59.522 58.100 0.099 0.000 1.135 99 Y CB -0.549 37.970 38.460 0.099 0.000 0.980 99 Y HN -0.114 8.166 8.280 0.000 0.000 0.499 100 L N -0.596 120.682 121.223 0.091 0.000 2.042 100 L HA -0.272 4.065 4.340 -0.004 0.000 0.210 100 L C 2.634 179.517 176.870 0.021 0.000 1.076 100 L CA 1.687 56.584 54.840 0.096 0.000 0.749 100 L CB -0.901 41.273 42.059 0.192 0.000 0.893 100 L HN 0.580 8.810 8.230 0.000 0.000 0.432 101 W N 1.503 122.679 121.300 -0.207 0.000 2.355 101 W HA -0.212 4.446 4.660 -0.004 0.000 0.309 101 W C 2.057 178.393 176.519 -0.305 0.000 1.206 101 W CA 1.557 58.674 57.345 -0.381 0.000 1.284 101 W CB -0.205 28.708 29.460 -0.912 0.000 1.145 101 W HN 0.267 8.447 8.180 0.000 0.000 0.502 102 N N 0.296 118.778 118.700 -0.362 0.000 2.354 102 N HA -0.121 4.616 4.740 -0.004 0.000 0.179 102 N C 1.138 176.360 175.510 -0.480 0.000 1.021 102 N CA 0.995 53.788 53.050 -0.429 0.000 0.887 102 N CB -0.527 37.850 38.487 -0.183 0.000 0.974 102 N HN 0.356 8.736 8.380 0.000 0.000 0.437 103 N N -0.717 117.628 118.700 -0.592 0.000 2.322 103 N HA 0.111 4.849 4.740 -0.004 0.000 0.181 103 N C 0.298 175.223 175.510 -0.976 0.000 1.088 103 N CA 0.378 52.937 53.050 -0.817 0.000 0.885 103 N CB 0.386 38.170 38.487 -1.171 0.000 1.013 103 N HN 0.145 8.525 8.380 0.000 0.000 0.472 104 F N -0.153 119.605 119.950 -0.320 0.000 2.856 104 F HA 0.360 4.884 4.527 -0.005 0.000 0.338 104 F C 1.142 176.811 175.800 -0.218 0.000 1.005 104 F CA -0.118 57.756 58.000 -0.209 0.000 1.155 104 F CB 0.487 39.407 39.000 -0.134 0.000 1.010 104 F HN -0.211 8.089 8.300 0.000 0.000 0.587 105 L N -1.288 119.822 121.223 -0.189 0.000 2.836 105 L HA 0.532 4.869 4.340 -0.004 0.000 0.216 105 L C 1.895 178.361 176.870 -0.673 0.000 1.861 105 L CA -0.091 54.563 54.840 -0.311 0.000 2.145 105 L CB -0.564 41.392 42.059 -0.172 0.000 2.671 105 L HN -0.084 8.146 8.230 0.000 0.000 0.594 106 G N -0.634 107.484 108.800 -1.137 0.000 2.956 106 G HA2 0.199 4.157 3.960 -0.004 0.000 0.207 106 G HA3 0.199 4.157 3.960 -0.004 0.000 0.207 106 G C 0.442 174.560 174.900 -1.304 0.000 1.162 106 G CA 0.395 44.845 45.100 -1.083 0.000 0.796 106 G HN 0.585 8.875 8.290 0.000 0.000 0.527 107 G N -0.238 107.481 108.800 -1.801 0.000 2.508 107 G HA2 0.506 4.463 3.960 -0.004 0.000 0.278 107 G HA3 0.506 4.463 3.960 -0.004 0.000 0.278 107 G C -0.428 174.176 174.900 -0.494 0.000 1.389 107 G CA -0.561 43.878 45.100 -1.102 0.000 1.050 107 G HN 0.069 8.359 8.290 0.000 0.000 0.522 108 K N -0.366 119.875 120.400 -0.265 0.000 2.324 108 K HA 0.676 4.993 4.320 -0.004 0.000 0.253 108 K C -0.987 175.519 176.600 -0.157 0.000 0.932 108 K CA -0.572 55.608 56.287 -0.178 0.000 0.799 108 K CB 1.643 34.090 32.500 -0.088 0.000 1.154 108 K HN 0.473 8.723 8.250 0.000 0.000 0.425 109 S N 0.108 115.711 115.700 -0.163 0.000 2.543 109 S HA 0.190 4.658 4.470 -0.004 0.000 0.273 109 S C 0.284 174.814 174.600 -0.117 0.000 1.152 109 S CA -0.458 57.657 58.200 -0.142 0.000 0.910 109 S CB 0.881 63.954 63.200 -0.212 0.000 1.105 109 S HN 0.523 8.833 8.310 0.000 0.000 0.465 110 S N 1.914 117.568 115.700 -0.077 0.000 2.603 110 S HA 0.137 4.605 4.470 -0.004 0.000 0.220 110 S C 0.613 175.176 174.600 -0.061 0.000 0.967 110 S CA 0.425 58.589 58.200 -0.060 0.000 0.920 110 S CB -0.347 62.832 63.200 -0.035 0.000 0.773 110 S HN 1.225 9.535 8.310 0.000 0.000 0.529 111 S N 0.397 116.049 115.700 -0.080 0.000 2.569 111 S HA 0.410 4.877 4.470 -0.004 0.000 0.215 111 S C -0.388 174.134 174.600 -0.130 0.000 1.096 111 S CA -0.919 57.238 58.200 -0.072 0.000 1.183 111 S CB -0.057 63.127 63.200 -0.028 0.000 1.324 111 S HN 0.312 8.622 8.310 0.000 0.000 0.421 112 R N 1.865 122.251 120.500 -0.188 0.000 2.404 112 R HA 0.207 4.544 4.340 -0.004 0.000 0.315 112 R C -1.812 174.349 176.300 -0.232 0.000 1.032 112 R CA -1.425 54.488 56.100 -0.311 0.000 0.992 112 R CB -0.058 30.061 30.300 -0.302 0.000 0.959 112 R HN 0.236 8.506 8.270 0.000 0.000 0.428 113 P HA -0.204 4.216 4.420 0.000 0.000 0.216 113 P C 0.494 177.809 177.300 0.025 0.000 1.157 113 P CA 1.437 64.506 63.100 -0.052 0.000 0.880 113 P CB 0.226 31.968 31.700 0.070 0.000 0.791 114 L N -2.966 118.273 121.223 0.026 0.000 2.667 114 L HA 0.393 4.731 4.340 -0.004 0.000 0.232 114 L C 1.103 177.980 176.870 0.012 0.000 1.138 114 L CA -0.068 54.824 54.840 0.088 0.000 0.921 114 L CB -0.514 41.669 42.059 0.206 0.000 1.180 114 L HN 0.123 8.353 8.230 0.000 0.000 0.487 115 G N 1.271 110.042 108.800 -0.048 0.000 2.466 115 G HA2 -0.224 3.734 3.960 -0.004 0.000 0.316 115 G HA3 -0.224 3.734 3.960 -0.004 0.000 0.316 115 G C -0.043 174.801 174.900 -0.093 0.000 1.270 115 G CA -0.037 45.028 45.100 -0.059 0.000 0.982 115 G HN 0.272 8.562 8.290 0.000 0.000 0.506 116 D N 0.468 120.820 120.400 -0.081 0.000 2.349 116 D HA 0.377 5.014 4.640 -0.004 0.000 0.215 116 D C 1.354 177.600 176.300 -0.089 0.000 1.016 116 D CA 0.949 54.891 54.000 -0.096 0.000 0.870 116 D CB -0.206 40.547 40.800 -0.079 0.000 0.917 116 D HN 1.222 9.592 8.370 0.000 0.000 0.524 117 A N 0.679 123.459 122.820 -0.067 0.000 2.483 117 A HA 0.331 4.649 4.320 -0.004 0.000 0.238 117 A C 0.115 177.663 177.584 -0.059 0.000 1.070 117 A CA -0.303 51.701 52.037 -0.054 0.000 0.770 117 A CB 0.721 19.697 19.000 -0.040 0.000 1.008 117 A HN 0.094 8.244 8.150 0.000 0.000 0.497 118 V N 4.160 124.042 119.914 -0.054 0.000 2.347 118 V HA 0.225 4.342 4.120 -0.004 0.000 0.280 118 V C 0.353 176.443 176.094 -0.007 0.000 1.021 118 V CA -0.264 62.003 62.300 -0.056 0.000 0.847 118 V CB 0.785 32.563 31.823 -0.076 0.000 0.990 118 V HN 0.750 8.940 8.190 0.000 0.000 0.444 119 L N 3.423 124.662 121.223 0.027 0.000 2.473 119 L HA 0.217 4.554 4.340 -0.004 0.000 0.268 119 L C 1.359 178.277 176.870 0.080 0.000 1.215 119 L CA -0.129 54.743 54.840 0.053 0.000 0.823 119 L CB 0.456 42.563 42.059 0.080 0.000 1.099 119 L HN 0.635 8.865 8.230 0.000 0.000 0.483 120 D N 0.879 121.331 120.400 0.086 0.000 2.194 120 D HA 0.071 4.708 4.640 -0.004 0.000 0.204 120 D C 0.690 177.147 176.300 0.262 0.000 0.964 120 D CA 0.967 55.053 54.000 0.143 0.000 0.846 120 D CB 0.626 41.441 40.800 0.025 0.000 0.962 120 D HN 0.722 9.092 8.370 0.000 0.000 0.490 121 G N -0.389 108.541 108.800 0.217 0.000 2.490 121 G HA2 0.428 4.385 3.960 -0.004 0.000 0.308 121 G HA3 0.428 4.385 3.960 -0.004 0.000 0.308 121 G C -1.797 173.226 174.900 0.205 0.000 1.286 121 G CA -0.602 44.655 45.100 0.262 0.000 0.825 121 G HN -0.076 8.214 8.290 0.000 0.000 0.479 122 I N 1.066 121.781 120.570 0.242 0.000 2.465 122 I HA 0.398 4.566 4.170 -0.004 0.000 0.291 122 I C -1.250 175.092 176.117 0.375 0.000 1.014 122 I CA -0.657 60.783 61.300 0.233 0.000 1.093 122 I CB 1.531 39.670 38.000 0.231 0.000 1.267 122 I HN 0.584 8.794 8.210 0.000 0.000 0.431 123 D N 5.191 125.789 120.400 0.330 0.000 2.233 123 D HA 0.421 5.058 4.640 -0.004 0.000 0.240 123 D C -1.142 175.432 176.300 0.457 0.000 1.074 123 D CA -0.160 54.123 54.000 0.472 0.000 0.838 123 D CB 0.839 41.897 40.800 0.429 0.000 1.124 123 D HN 0.075 8.445 8.370 0.000 0.000 0.475 124 F N 2.769 122.867 119.950 0.248 0.000 2.335 124 F HA 0.455 4.979 4.527 -0.004 0.000 0.365 124 F C 0.769 176.580 175.800 0.018 0.000 1.122 124 F CA -0.909 57.156 58.000 0.108 0.000 1.151 124 F CB 1.332 40.418 39.000 0.143 0.000 1.282 124 F HN 0.462 8.762 8.300 0.000 0.000 0.513 125 A N 5.134 127.975 122.820 0.035 0.000 3.213 125 A HA 0.450 4.767 4.320 -0.004 0.000 0.308 125 A C -0.140 177.219 177.584 -0.375 0.000 1.177 125 A CA -0.356 51.637 52.037 -0.073 0.000 1.010 125 A CB -0.687 18.356 19.000 0.070 0.000 1.092 125 A HN 0.405 8.555 8.150 0.000 0.000 0.583 126 I N 1.494 121.808 120.570 -0.427 0.000 2.396 126 I HA 0.141 4.308 4.170 -0.004 0.000 0.289 126 I C 0.954 176.757 176.117 -0.523 0.000 1.056 126 I CA 0.304 61.249 61.300 -0.592 0.000 1.365 126 I CB 0.205 37.664 38.000 -0.901 0.000 1.407 126 I HN 0.751 8.961 8.210 0.000 0.000 0.509 127 E N 6.045 125.884 120.200 -0.602 0.000 2.641 127 E HA 0.167 4.514 4.350 -0.004 0.000 0.224 127 E C 0.046 176.096 176.600 -0.918 0.000 0.951 127 E CA -0.292 55.712 56.400 -0.660 0.000 1.102 127 E CB 0.596 30.067 29.700 -0.382 0.000 1.091 127 E HN 0.794 9.154 8.360 0.000 0.000 0.507 128 H N -2.041 116.509 119.070 -0.865 0.000 2.967 128 H HA 0.617 5.171 4.556 -0.004 0.000 0.318 128 H C 0.264 175.391 175.328 -0.334 0.000 1.375 128 H CA -0.797 54.850 56.048 -0.668 0.000 1.132 128 H CB 1.222 30.780 29.762 -0.339 0.000 1.848 128 H HN 0.137 8.417 8.280 0.000 0.000 0.524 129 G N 0.953 109.885 108.800 0.221 0.000 2.601 129 G HA2 -0.161 3.797 3.960 -0.004 0.000 0.224 129 G HA3 -0.161 3.797 3.960 -0.004 0.000 0.224 129 G C -0.318 174.831 174.900 0.415 0.000 1.171 129 G CA 0.073 45.309 45.100 0.228 0.000 1.009 129 G HN 1.408 9.698 8.290 0.000 0.000 0.589 130 S N -0.450 115.515 115.700 0.442 0.000 2.616 130 S HA 0.608 5.075 4.470 -0.004 0.000 0.277 130 S C 1.156 176.123 174.600 0.611 0.000 1.234 130 S CA 0.989 59.416 58.200 0.379 0.000 1.028 130 S CB 1.660 64.983 63.200 0.206 0.000 0.988 130 S HN 2.095 10.405 8.310 0.000 0.000 0.522 131 T N -0.102 114.615 114.554 0.271 0.000 3.069 131 T HA 0.356 4.703 4.350 -0.004 0.000 0.252 131 T C 0.348 175.135 174.700 0.145 0.000 1.053 131 T CA -0.295 61.929 62.100 0.206 0.000 0.964 131 T CB -0.580 68.183 68.868 -0.174 0.000 1.005 131 T HN 0.527 8.767 8.240 0.000 0.000 0.532 132 L N 0.519 121.686 121.223 -0.093 0.000 2.352 132 L HA 0.460 4.798 4.340 -0.004 0.000 0.269 132 L C 0.209 176.724 176.870 -0.591 0.000 1.034 132 L CA -1.403 53.151 54.840 -0.475 0.000 0.806 132 L CB 0.806 42.316 42.059 -0.915 0.000 1.244 132 L HN 0.130 8.360 8.230 0.000 0.000 0.447 133 Y N -1.672 118.549 120.300 -0.133 0.000 4.929 133 Y HA -0.276 4.272 4.550 -0.004 0.000 0.253 133 Y C 1.182 177.033 175.900 -0.083 0.000 0.946 133 Y CA 0.865 58.879 58.100 -0.145 0.000 1.905 133 Y CB -2.450 35.887 38.460 -0.205 0.000 1.400 133 Y HN 0.586 8.866 8.280 0.000 0.000 0.531 134 W N 1.949 123.431 121.300 0.302 0.000 2.425 134 W HA -0.126 4.531 4.660 -0.004 0.000 0.277 134 W C 2.245 178.968 176.519 0.341 0.000 1.231 134 W CA 1.156 58.738 57.345 0.396 0.000 1.248 134 W CB -0.204 29.494 29.460 0.398 0.000 1.117 134 W HN 0.374 8.554 8.180 0.000 0.000 0.568 135 D N -0.368 120.254 120.400 0.370 0.000 2.183 135 D HA -0.173 4.465 4.640 -0.004 0.000 0.203 135 D C 1.201 177.569 176.300 0.114 0.000 0.969 135 D CA 1.254 55.383 54.000 0.216 0.000 0.842 135 D CB -0.830 40.041 40.800 0.119 0.000 0.957 135 D HN 0.161 8.531 8.370 0.000 0.000 0.484 136 D N 0.509 120.965 120.400 0.093 0.000 2.123 136 D HA -0.087 4.551 4.640 -0.004 0.000 0.200 136 D C 2.260 178.503 176.300 -0.096 0.000 0.976 136 D CA 0.315 54.242 54.000 -0.121 0.000 0.831 136 D CB -0.081 40.710 40.800 -0.016 0.000 0.974 136 D HN 0.160 8.530 8.370 0.000 0.000 0.469 137 L N 1.364 122.736 121.223 0.248 0.000 2.042 137 L HA -0.118 4.219 4.340 -0.004 0.000 0.210 137 L C 2.199 179.308 176.870 0.399 0.000 1.076 137 L CA 1.731 56.822 54.840 0.418 0.000 0.749 137 L CB -0.718 41.681 42.059 0.567 0.000 0.893 137 L HN -0.066 8.165 8.230 0.000 0.000 0.432 138 A N -0.449 122.579 122.820 0.346 0.000 1.902 138 A HA -0.206 4.111 4.320 -0.004 0.000 0.217 138 A C 2.408 179.987 177.584 -0.008 0.000 1.181 138 A CA 1.748 53.844 52.037 0.099 0.000 0.623 138 A CB -0.517 18.431 19.000 -0.086 0.000 0.818 138 A HN 0.512 8.662 8.150 0.000 0.000 0.443 139 R N -1.753 118.706 120.500 -0.068 0.000 2.073 139 R HA -0.138 4.199 4.340 -0.004 0.000 0.234 139 R C 2.039 178.295 176.300 -0.073 0.000 1.134 139 R CA 1.718 57.732 56.100 -0.144 0.000 0.952 139 R CB -0.580 29.556 30.300 -0.273 0.000 0.850 139 R HN 0.626 8.896 8.270 0.000 0.000 0.433 140 Y N 1.133 121.458 120.300 0.043 0.000 2.224 140 Y HA -0.136 4.412 4.550 -0.004 0.000 0.289 140 Y C 2.249 178.185 175.900 0.060 0.000 1.146 140 Y CA 0.760 58.866 58.100 0.010 0.000 1.182 140 Y CB -0.608 37.892 38.460 0.067 0.000 0.983 140 Y HN 0.001 8.281 8.280 0.000 0.000 0.524 141 L N -1.449 119.964 121.223 0.317 0.000 2.056 141 L HA -0.202 4.135 4.340 -0.004 0.000 0.207 141 L C 2.658 179.652 176.870 0.205 0.000 1.078 141 L CA 1.597 56.641 54.840 0.339 0.000 0.749 141 L CB -0.684 41.557 42.059 0.304 0.000 0.901 141 L HN 0.148 8.378 8.230 0.000 0.000 0.433 142 S N -0.193 115.547 115.700 0.067 0.000 2.399 142 S HA -0.163 4.305 4.470 -0.004 0.000 0.231 142 S C 2.092 176.669 174.600 -0.038 0.000 1.022 142 S CA 1.141 59.330 58.200 -0.019 0.000 0.983 142 S CB -0.077 63.068 63.200 -0.092 0.000 0.803 142 S HN 0.432 8.742 8.310 0.000 0.000 0.480 143 A N -0.281 122.497 122.820 -0.070 0.000 2.019 143 A HA -0.016 4.302 4.320 -0.004 0.000 0.219 143 A C 1.762 179.193 177.584 -0.255 0.000 1.164 143 A CA 1.249 53.187 52.037 -0.166 0.000 0.644 143 A CB -0.891 17.987 19.000 -0.204 0.000 0.805 143 A HN 0.677 8.827 8.150 0.000 0.000 0.449 144 Y N 0.452 120.626 120.300 -0.210 0.000 2.509 144 Y HA -0.071 4.477 4.550 -0.004 0.000 0.293 144 Y C 2.709 178.448 175.900 -0.267 0.000 1.133 144 Y CA 1.011 58.847 58.100 -0.440 0.000 1.283 144 Y CB -0.229 37.828 38.460 -0.671 0.000 1.001 144 Y HN 0.292 8.572 8.280 0.000 0.000 0.555 145 S N -0.401 115.312 115.700 0.021 0.000 2.423 145 S HA -0.142 4.326 4.470 -0.004 0.000 0.231 145 S C 1.791 176.397 174.600 0.009 0.000 1.014 145 S CA 0.835 59.059 58.200 0.040 0.000 0.965 145 S CB -0.149 63.050 63.200 -0.002 0.000 0.785 145 S HN 0.435 8.745 8.310 0.000 0.000 0.495 146 K N 1.053 121.430 120.400 -0.040 0.000 2.442 146 K HA -0.006 4.312 4.320 -0.004 0.000 0.198 146 K C 1.591 178.182 176.600 -0.016 0.000 1.042 146 K CA 0.620 56.883 56.287 -0.039 0.000 0.958 146 K CB -0.059 32.398 32.500 -0.072 0.000 0.766 146 K HN 0.450 8.700 8.250 0.000 0.000 0.474 147 Q N -0.829 118.972 119.800 0.001 0.000 2.403 147 Q HA 0.041 4.378 4.340 -0.004 0.000 0.203 147 Q C 0.963 177.025 176.000 0.103 0.000 0.932 147 Q CA 0.388 56.221 55.803 0.051 0.000 0.945 147 Q CB 0.828 29.609 28.738 0.072 0.000 1.045 147 Q HN 0.505 8.775 8.270 0.000 0.000 0.511 148 G N 1.194 110.049 108.800 0.093 0.000 3.145 148 G HA2 -0.191 3.766 3.960 -0.004 0.000 0.195 148 G HA3 -0.191 3.766 3.960 -0.004 0.000 0.195 148 G C -0.333 174.632 174.900 0.109 0.000 2.278 148 G CA -0.669 44.490 45.100 0.097 0.000 1.441 148 G HN 0.127 8.417 8.290 0.000 0.000 0.452 149 K N 1.987 122.483 120.400 0.160 0.000 2.258 149 K HA 0.475 4.793 4.320 -0.004 0.000 0.284 149 K C 0.261 176.961 176.600 0.168 0.000 1.051 149 K CA -0.515 55.869 56.287 0.161 0.000 0.923 149 K CB 0.918 33.523 32.500 0.176 0.000 1.046 149 K HN 0.334 8.584 8.250 0.000 0.000 0.474 150 K N 3.252 123.725 120.400 0.122 0.000 2.412 150 K HA 0.059 4.376 4.320 -0.004 0.000 0.281 150 K C -0.975 175.700 176.600 0.125 0.000 1.027 150 K CA -0.334 55.984 56.287 0.052 0.000 0.989 150 K CB 0.707 33.162 32.500 -0.075 0.000 0.935 150 K HN 0.289 8.539 8.250 0.000 0.000 0.475 151 V N 6.331 126.299 119.914 0.090 0.000 2.318 151 V HA 0.138 4.255 4.120 -0.004 0.000 0.271 151 V C -0.715 175.425 176.094 0.076 0.000 1.030 151 V CA -0.718 61.685 62.300 0.173 0.000 0.844 151 V CB -0.019 31.932 31.823 0.214 0.000 1.015 151 V HN 0.625 8.815 8.190 0.000 0.000 0.460 152 Y N 5.006 125.357 120.300 0.086 0.000 2.411 152 Y HA 0.370 4.918 4.550 -0.004 0.000 0.333 152 Y C 0.378 176.290 175.900 0.020 0.000 1.186 152 Y CA -0.023 58.104 58.100 0.046 0.000 1.381 152 Y CB 0.637 39.179 38.460 0.137 0.000 1.273 152 Y HN 0.416 8.696 8.280 0.000 0.000 0.546 153 L N 3.991 125.213 121.223 -0.002 0.000 2.349 153 L HA 0.522 4.860 4.340 -0.004 0.000 0.278 153 L C -0.225 176.627 176.870 -0.029 0.000 0.996 153 L CA -0.642 54.101 54.840 -0.162 0.000 0.825 153 L CB 1.610 43.232 42.059 -0.728 0.000 1.243 153 L HN 0.707 8.937 8.230 0.000 0.000 0.412 154 T N 0.196 114.887 114.554 0.229 0.000 2.916 154 T HA 0.920 5.267 4.350 -0.004 0.000 0.292 154 T C -0.610 174.309 174.700 0.364 0.000 1.055 154 T CA -0.751 61.468 62.100 0.199 0.000 1.009 154 T CB 2.568 71.507 68.868 0.117 0.000 1.118 154 T HN 0.651 8.891 8.240 0.000 0.000 0.497 155 A N 0.419 123.244 122.820 0.007 0.000 2.539 155 A HA 0.905 5.222 4.320 -0.004 0.000 0.296 155 A C -0.364 177.209 177.584 -0.019 0.000 1.073 155 A CA -0.756 51.289 52.037 0.014 0.000 0.700 155 A CB 1.419 20.186 19.000 -0.389 0.000 1.296 155 A HN 1.752 9.902 8.150 0.000 0.000 0.405 156 A N 2.579 125.497 122.820 0.162 0.000 3.204 156 A HA 0.664 4.982 4.320 -0.004 0.000 0.327 156 A C -2.604 174.958 177.584 -0.038 0.000 0.998 156 A CA -1.306 50.866 52.037 0.225 0.000 0.891 156 A CB -0.112 19.159 19.000 0.450 0.000 1.061 156 A HN 0.541 8.691 8.150 0.000 0.000 0.478 157 P HA 0.136 4.556 4.420 0.000 0.000 0.274 157 P C -0.585 176.554 177.300 -0.267 0.000 1.246 157 P CA 0.007 62.996 63.100 -0.185 0.000 0.795 157 P CB 0.725 32.337 31.700 -0.147 0.000 1.006 158 Q N 0.255 119.952 119.800 -0.171 0.000 2.368 158 Q HA 0.071 4.408 4.340 -0.004 0.000 0.237 158 Q C 1.580 177.495 176.000 -0.141 0.000 0.987 158 Q CA -0.020 55.654 55.803 -0.215 0.000 0.896 158 Q CB 0.485 29.152 28.738 -0.118 0.000 1.241 158 Q HN 0.649 8.919 8.270 0.000 0.000 0.485 159 c N -1.268 117.190 118.600 -0.236 0.000 2.432 159 c HA 0.088 4.655 4.570 -0.004 0.000 0.282 159 c C -1.422 172.911 174.090 0.404 0.000 1.388 159 c CA -0.548 55.724 56.329 -0.095 0.000 1.777 159 c CB -1.656 40.651 42.510 -0.339 0.000 1.882 159 c HN 0.464 8.694 8.230 0.000 0.000 0.520 160 P HA 0.194 4.614 4.420 0.000 0.000 0.271 160 P C -0.590 176.844 177.300 0.224 0.000 1.233 160 P CA 0.622 63.850 63.100 0.213 0.000 0.764 160 P CB 0.019 31.782 31.700 0.104 0.000 0.825 161 F N 6.528 126.443 119.950 -0.058 0.000 2.436 161 F HA 0.560 5.085 4.527 -0.004 0.000 0.340 161 F C -1.916 173.734 175.800 -0.251 0.000 1.113 161 F CA -2.493 55.286 58.000 -0.369 0.000 1.022 161 F CB 0.862 39.353 39.000 -0.848 0.000 1.128 161 F HN 0.259 8.559 8.300 0.000 0.000 0.466 162 P HA 0.164 4.584 4.420 0.000 0.000 0.279 162 P C -1.278 175.717 177.300 -0.508 0.000 1.252 162 P CA -0.481 61.806 63.100 -1.354 0.000 0.811 162 P CB 1.058 32.005 31.700 -1.255 0.000 1.035 163 D N 1.274 121.489 120.400 -0.308 0.000 2.383 163 D HA -0.023 4.615 4.640 -0.004 0.000 0.252 163 D C 1.207 177.449 176.300 -0.096 0.000 1.166 163 D CA -0.055 53.920 54.000 -0.041 0.000 0.879 163 D CB 0.937 41.809 40.800 0.119 0.000 1.164 163 D HN 0.348 8.718 8.370 0.000 0.000 0.462 164 R N 3.167 123.624 120.500 -0.072 0.000 2.127 164 R HA -0.203 4.134 4.340 -0.004 0.000 0.238 164 R C 0.881 177.004 176.300 -0.296 0.000 1.134 164 R CA 1.541 57.519 56.100 -0.205 0.000 0.975 164 R CB 0.053 30.199 30.300 -0.258 0.000 0.865 164 R HN 0.587 8.857 8.270 0.000 0.000 0.447 165 Y N -0.988 119.298 120.300 -0.023 0.000 2.441 165 Y HA 0.132 4.679 4.550 -0.004 0.000 0.288 165 Y C 1.656 177.551 175.900 -0.007 0.000 1.118 165 Y CA 0.373 58.478 58.100 0.009 0.000 1.215 165 Y CB 0.393 38.808 38.460 -0.075 0.000 1.118 165 Y HN -0.063 8.217 8.280 0.000 0.000 0.547 166 L N -0.995 120.272 121.223 0.074 0.000 2.693 166 L HA 0.287 4.625 4.340 -0.004 0.000 0.235 166 L C 2.237 179.072 176.870 -0.059 0.000 1.127 166 L CA 0.336 55.169 54.840 -0.012 0.000 0.914 166 L CB -0.197 41.803 42.059 -0.098 0.000 1.193 166 L HN 0.236 8.466 8.230 0.000 0.000 0.502 167 G N 0.506 109.265 108.800 -0.069 0.000 2.476 167 G HA2 -0.265 3.693 3.960 -0.004 0.000 0.218 167 G HA3 -0.265 3.693 3.960 -0.004 0.000 0.218 167 G C 1.509 176.347 174.900 -0.104 0.000 1.164 167 G CA 1.625 46.637 45.100 -0.146 0.000 0.768 167 G HN 0.256 8.546 8.290 0.000 0.000 0.560 168 T N 1.519 116.045 114.554 -0.048 0.000 2.777 168 T HA 0.097 4.444 4.350 -0.004 0.000 0.266 168 T C 2.810 177.523 174.700 0.021 0.000 1.040 168 T CA 1.411 63.502 62.100 -0.015 0.000 1.141 168 T CB -0.337 68.536 68.868 0.008 0.000 0.868 168 T HN 0.382 8.622 8.240 0.000 0.000 0.444 169 A N 1.388 124.240 122.820 0.053 0.000 1.902 169 A HA 0.043 4.360 4.320 -0.004 0.000 0.217 169 A C 2.259 179.858 177.584 0.025 0.000 1.181 169 A CA 1.122 53.219 52.037 0.101 0.000 0.623 169 A CB -0.835 18.244 19.000 0.132 0.000 0.818 169 A HN 0.477 8.627 8.150 0.000 0.000 0.443 170 L N -0.478 120.630 121.223 -0.191 0.000 2.201 170 L HA -0.160 4.178 4.340 -0.004 0.000 0.212 170 L C 1.987 178.847 176.870 -0.017 0.000 1.105 170 L CA 1.155 55.864 54.840 -0.217 0.000 0.775 170 L CB -0.593 41.348 42.059 -0.197 0.000 0.913 170 L HN 0.500 8.730 8.230 0.000 0.000 0.440 171 N N -0.759 117.936 118.700 -0.008 0.000 2.512 171 N HA -0.132 4.606 4.740 -0.004 0.000 0.183 171 N C 1.738 177.264 175.510 0.027 0.000 1.073 171 N CA 1.203 54.258 53.050 0.008 0.000 0.911 171 N CB 0.123 38.602 38.487 -0.014 0.000 0.964 171 N HN 0.435 8.815 8.380 0.000 0.000 0.447 172 T N -2.614 111.973 114.554 0.055 0.000 2.995 172 T HA 0.048 4.395 4.350 -0.004 0.000 0.269 172 T C 1.651 176.376 174.700 0.042 0.000 1.091 172 T CA 0.950 63.078 62.100 0.047 0.000 1.128 172 T CB -0.161 68.745 68.868 0.063 0.000 0.891 172 T HN 0.246 8.486 8.240 0.000 0.000 0.492 173 G N 1.061 109.908 108.800 0.078 0.000 2.143 173 G HA2 -0.224 3.734 3.960 -0.004 0.000 0.248 173 G HA3 -0.224 3.734 3.960 -0.004 0.000 0.248 173 G C 0.585 175.504 174.900 0.031 0.000 0.991 173 G CA 0.411 45.544 45.100 0.055 0.000 0.689 173 G HN 0.580 8.870 8.290 0.000 0.000 0.522 174 L N -1.073 120.174 121.223 0.040 0.000 2.529 174 L HA 0.383 4.721 4.340 -0.004 0.000 0.223 174 L C 0.848 177.565 176.870 -0.255 0.000 1.113 174 L CA -0.178 54.585 54.840 -0.128 0.000 0.861 174 L CB -0.001 41.925 42.059 -0.222 0.000 1.012 174 L HN 0.168 8.398 8.230 0.000 0.000 0.461 175 F N 0.616 120.470 119.950 -0.160 0.000 2.427 175 F HA 0.077 4.601 4.527 -0.004 0.000 0.352 175 F C 1.471 177.137 175.800 -0.223 0.000 1.100 175 F CA -0.274 57.609 58.000 -0.195 0.000 1.191 175 F CB 0.558 39.435 39.000 -0.206 0.000 1.128 175 F HN -0.056 8.244 8.300 0.000 0.000 0.533 176 D N 1.833 122.113 120.400 -0.200 0.000 2.144 176 D HA -0.113 4.524 4.640 -0.004 0.000 0.207 176 D C -0.320 175.651 176.300 -0.550 0.000 0.970 176 D CA 1.641 55.371 54.000 -0.450 0.000 0.853 176 D CB 0.091 40.506 40.800 -0.641 0.000 1.007 176 D HN 0.295 8.665 8.370 0.000 0.000 0.469 177 Y N -0.155 120.068 120.300 -0.128 0.000 2.425 177 Y HA 0.455 5.003 4.550 -0.004 0.000 0.344 177 Y C -0.270 175.211 175.900 -0.697 0.000 0.969 177 Y CA -1.030 56.823 58.100 -0.412 0.000 1.052 177 Y CB 2.246 40.186 38.460 -0.867 0.000 1.215 177 Y HN -0.386 7.894 8.280 0.000 0.000 0.451 178 V N 2.590 122.285 119.914 -0.365 0.000 2.409 178 V HA 0.273 4.390 4.120 -0.004 0.000 0.290 178 V C -1.556 174.384 176.094 -0.257 0.000 1.017 178 V CA -1.153 60.884 62.300 -0.438 0.000 0.841 178 V CB 0.577 32.276 31.823 -0.206 0.000 1.003 178 V HN 0.741 8.931 8.190 0.000 0.000 0.426 179 W N 4.783 126.107 121.300 0.039 0.000 2.298 179 W HA 0.706 5.364 4.660 -0.004 0.000 0.327 179 W C -0.460 176.046 176.519 -0.022 0.000 0.988 179 W CA -1.303 56.103 57.345 0.101 0.000 1.448 179 W CB 0.092 29.595 29.460 0.071 0.000 1.243 179 W HN 0.256 8.436 8.180 0.000 0.000 0.388 180 V N 3.974 123.894 119.914 0.010 0.000 2.572 180 V HA -0.000 4.117 4.120 -0.004 0.000 0.291 180 V C 0.627 176.534 176.094 -0.312 0.000 1.039 180 V CA -0.350 61.673 62.300 -0.462 0.000 1.055 180 V CB 0.570 31.749 31.823 -1.074 0.000 0.969 180 V HN 0.501 8.691 8.190 0.000 0.000 0.482 181 Q N 4.068 123.609 119.800 -0.431 0.000 2.361 181 Q HA 0.299 4.637 4.340 -0.004 0.000 0.250 181 Q C -0.751 174.934 176.000 -0.526 0.000 1.023 181 Q CA -0.009 55.537 55.803 -0.428 0.000 0.915 181 Q CB 0.408 28.666 28.738 -0.799 0.000 1.238 181 Q HN 0.698 8.968 8.270 0.000 0.000 0.451 182 F N 4.176 124.196 119.950 0.117 0.000 2.871 182 F HA 0.225 4.749 4.527 -0.004 0.000 0.317 182 F C -0.392 175.605 175.800 0.328 0.000 1.193 182 F CA -0.560 57.557 58.000 0.195 0.000 1.311 182 F CB -0.265 38.891 39.000 0.259 0.000 1.380 182 F HN 0.361 8.661 8.300 0.000 0.000 0.557 183 F N -3.184 116.857 119.950 0.152 0.000 2.686 183 F HA 0.466 4.991 4.527 -0.004 0.000 0.311 183 F C 0.254 176.082 175.800 0.047 0.000 1.128 183 F CA -2.067 56.002 58.000 0.114 0.000 0.946 183 F CB 0.546 39.606 39.000 0.100 0.000 1.336 183 F HN -0.148 8.152 8.300 0.000 0.000 0.457 184 N N 0.651 119.469 118.700 0.197 0.000 2.714 184 N HA -0.229 4.508 4.740 -0.004 0.000 0.250 184 N C -1.195 174.317 175.510 0.003 0.000 1.117 184 N CA 0.965 54.055 53.050 0.066 0.000 0.719 184 N CB -1.204 37.280 38.487 -0.005 0.000 1.081 184 N HN 0.757 9.137 8.380 0.000 0.000 0.557 185 N N -0.850 117.875 118.700 0.042 0.000 2.701 185 N HA 0.152 4.889 4.740 -0.004 0.000 0.258 185 N C -2.122 173.442 175.510 0.090 0.000 1.262 185 N CA -0.768 52.307 53.050 0.042 0.000 0.780 185 N CB 2.033 40.526 38.487 0.009 0.000 1.380 185 N HN -0.145 8.235 8.380 0.000 0.000 0.548 186 P HA -0.156 4.264 4.420 0.000 0.000 0.217 186 P C -1.080 176.274 177.300 0.090 0.000 1.158 186 P CA 1.571 64.718 63.100 0.078 0.000 0.887 186 P CB -0.445 31.287 31.700 0.054 0.000 0.792 187 P HA -0.085 4.335 4.420 0.000 0.000 0.222 187 P C 0.494 177.881 177.300 0.146 0.000 1.147 187 P CA 1.480 64.640 63.100 0.101 0.000 0.790 187 P CB -0.448 31.305 31.700 0.088 0.000 0.780 188 c N -2.000 116.715 118.600 0.191 0.000 3.226 188 c HA 0.451 5.019 4.570 -0.004 0.000 0.258 188 c C 0.814 175.133 174.090 0.382 0.000 1.688 188 c CA -0.785 55.721 56.329 0.294 0.000 1.774 188 c CB -1.391 41.331 42.510 0.354 0.000 3.167 188 c HN 0.249 8.479 8.230 0.000 0.000 0.509 189 Q N -0.187 119.784 119.800 0.286 0.000 2.385 189 Q HA 0.572 4.910 4.340 -0.004 0.000 0.262 189 Q C -1.032 175.126 176.000 0.263 0.000 1.050 189 Q CA -0.778 55.219 55.803 0.323 0.000 0.903 189 Q CB 1.095 30.006 28.738 0.288 0.000 1.325 189 Q HN 0.403 8.673 8.270 0.000 0.000 0.485 190 Y N 0.457 120.844 120.300 0.145 0.000 2.346 190 Y HA 0.376 4.924 4.550 -0.004 0.000 0.330 190 Y C -1.055 174.895 175.900 0.084 0.000 1.178 190 Y CA 0.142 58.293 58.100 0.085 0.000 1.331 190 Y CB 1.277 39.765 38.460 0.048 0.000 1.253 190 Y HN 0.621 8.901 8.280 0.000 0.000 0.529 191 S N 3.316 118.575 115.700 -0.734 0.000 2.557 191 S HA 0.282 4.750 4.470 -0.004 0.000 0.291 191 S C -0.964 173.109 174.600 -0.878 0.000 1.116 191 S CA -0.981 56.873 58.200 -0.577 0.000 0.992 191 S CB 1.352 64.412 63.200 -0.232 0.000 1.028 191 S HN 0.736 9.046 8.310 0.000 0.000 0.484 192 S N 2.064 117.425 115.700 -0.564 0.000 3.298 192 S HA 0.195 4.663 4.470 -0.004 0.000 0.389 192 S C 1.494 175.974 174.600 -0.201 0.000 1.186 192 S CA 1.112 59.135 58.200 -0.296 0.000 1.034 192 S CB -0.479 62.674 63.200 -0.077 0.000 0.735 192 S HN 1.468 9.778 8.310 0.000 0.000 0.510 193 G N 2.746 111.506 108.800 -0.068 0.000 2.189 193 G HA2 -0.313 3.644 3.960 -0.004 0.000 0.267 193 G HA3 -0.313 3.644 3.960 -0.004 0.000 0.267 193 G C -0.105 174.792 174.900 -0.006 0.000 0.975 193 G CA 0.370 45.477 45.100 0.012 0.000 0.644 193 G HN 0.839 9.129 8.290 0.000 0.000 0.537 194 N N -0.093 118.548 118.700 -0.098 0.000 2.504 194 N HA 0.563 5.301 4.740 -0.004 0.000 0.280 194 N C 0.810 176.342 175.510 0.038 0.000 1.052 194 N CA -0.501 52.526 53.050 -0.039 0.000 0.887 194 N CB 0.834 39.277 38.487 -0.072 0.000 1.323 194 N HN 0.518 8.898 8.380 0.000 0.000 0.509 195 I N -0.324 120.324 120.570 0.129 0.000 4.082 195 I HA 0.357 4.525 4.170 -0.004 0.000 0.337 195 I C 0.541 176.720 176.117 0.104 0.000 1.352 195 I CA -0.373 61.034 61.300 0.179 0.000 1.097 195 I CB 0.104 38.190 38.000 0.144 0.000 1.048 195 I HN 0.212 8.422 8.210 0.000 0.000 0.393 196 N N 2.907 121.653 118.700 0.078 0.000 2.069 196 N HA -0.168 4.570 4.740 -0.004 0.000 0.191 196 N C 1.317 176.883 175.510 0.093 0.000 1.031 196 N CA 1.640 54.733 53.050 0.070 0.000 0.852 196 N CB -0.437 38.082 38.487 0.053 0.000 1.018 196 N HN 0.500 8.880 8.380 0.000 0.000 0.423 197 N N 1.504 120.265 118.700 0.101 0.000 2.104 197 N HA -0.117 4.621 4.740 -0.004 0.000 0.190 197 N C 1.924 177.548 175.510 0.190 0.000 1.024 197 N CA 0.490 53.620 53.050 0.134 0.000 0.853 197 N CB -0.306 38.256 38.487 0.125 0.000 1.008 197 N HN 0.336 8.716 8.380 0.000 0.000 0.424 198 I N 0.633 121.309 120.570 0.177 0.000 2.353 198 I HA -0.150 4.018 4.170 -0.004 0.000 0.248 198 I C 1.632 177.815 176.117 0.111 0.000 1.119 198 I CA 0.724 62.119 61.300 0.158 0.000 1.417 198 I CB 0.118 38.157 38.000 0.065 0.000 1.078 198 I HN -0.067 8.143 8.210 0.000 0.000 0.421 199 I N 1.158 121.785 120.570 0.095 0.000 2.252 199 I HA -0.268 3.900 4.170 -0.004 0.000 0.245 199 I C 2.268 178.510 176.117 0.209 0.000 1.102 199 I CA 1.481 62.849 61.300 0.115 0.000 1.385 199 I CB -1.972 36.065 38.000 0.062 0.000 1.064 199 I HN 0.374 8.584 8.210 0.000 0.000 0.414 200 N N 0.611 119.413 118.700 0.171 0.000 2.149 200 N HA -0.196 4.541 4.740 -0.004 0.000 0.188 200 N C 2.048 177.681 175.510 0.206 0.000 1.019 200 N CA 1.804 54.948 53.050 0.156 0.000 0.857 200 N CB -0.041 38.517 38.487 0.119 0.000 0.997 200 N HN 0.169 8.549 8.380 0.000 0.000 0.426 201 S N -0.726 115.161 115.700 0.311 0.000 2.368 201 S HA -0.118 4.349 4.470 -0.004 0.000 0.224 201 S C 1.646 176.605 174.600 0.598 0.000 1.029 201 S CA 1.035 59.513 58.200 0.464 0.000 0.988 201 S CB -0.739 62.868 63.200 0.678 0.000 0.838 201 S HN 0.608 8.918 8.310 0.000 0.000 0.462 202 W N 2.594 124.113 121.300 0.365 0.000 2.338 202 W HA -0.151 4.507 4.660 -0.004 0.000 0.304 202 W C 1.456 178.119 176.519 0.239 0.000 1.212 202 W CA 1.536 59.072 57.345 0.318 0.000 1.264 202 W CB -0.802 28.690 29.460 0.053 0.000 1.142 202 W HN 0.379 8.559 8.180 0.000 0.000 0.512 203 N N 0.580 119.414 118.700 0.224 0.000 2.309 203 N HA -0.171 4.566 4.740 -0.004 0.000 0.182 203 N C 1.899 177.356 175.510 -0.088 0.000 1.018 203 N CA 1.292 54.372 53.050 0.051 0.000 0.876 203 N CB -0.636 37.915 38.487 0.106 0.000 0.972 203 N HN 0.346 8.726 8.380 0.000 0.000 0.434 204 R N -0.409 120.031 120.500 -0.100 0.000 2.090 204 R HA -0.062 4.275 4.340 -0.004 0.000 0.228 204 R C 1.759 177.718 176.300 -0.567 0.000 1.110 204 R CA 0.916 56.798 56.100 -0.362 0.000 0.973 204 R CB -0.104 29.949 30.300 -0.411 0.000 0.869 204 R HN 0.190 8.460 8.270 0.000 0.000 0.440 205 W N 0.369 121.456 121.300 -0.354 0.000 2.409 205 W HA -0.105 4.553 4.660 -0.004 0.000 0.299 205 W C 2.395 178.708 176.519 -0.344 0.000 1.203 205 W CA 1.765 58.922 57.345 -0.314 0.000 1.298 205 W CB -0.380 28.999 29.460 -0.135 0.000 1.127 205 W HN 0.175 8.355 8.180 0.000 0.000 0.528 206 T N -3.581 110.831 114.554 -0.237 0.000 3.072 206 T HA -0.096 4.252 4.350 -0.004 0.000 0.266 206 T C 1.350 175.953 174.700 -0.161 0.000 1.127 206 T CA 1.502 63.430 62.100 -0.287 0.000 1.107 206 T CB -0.622 67.951 68.868 -0.493 0.000 0.910 206 T HN 0.184 8.424 8.240 0.000 0.000 0.513 207 T N -2.661 111.787 114.554 -0.176 0.000 3.040 207 T HA 0.342 4.690 4.350 -0.004 0.000 0.266 207 T C 1.723 176.327 174.700 -0.160 0.000 1.005 207 T CA -0.035 61.982 62.100 -0.139 0.000 0.906 207 T CB 0.087 68.878 68.868 -0.129 0.000 1.082 207 T HN 0.269 8.509 8.240 0.000 0.000 0.531 208 S N 1.306 116.867 115.700 -0.231 0.000 2.514 208 S HA 0.450 4.917 4.470 -0.004 0.000 0.223 208 S C 0.673 175.253 174.600 -0.032 0.000 1.046 208 S CA -0.444 57.625 58.200 -0.218 0.000 0.914 208 S CB 0.037 62.856 63.200 -0.633 0.000 0.807 208 S HN 0.776 9.086 8.310 0.000 0.000 0.497 209 I N -0.491 120.088 120.570 0.015 0.000 2.603 209 I HA 0.584 4.751 4.170 -0.004 0.000 0.300 209 I C -1.224 174.920 176.117 0.045 0.000 1.017 209 I CA -0.942 60.405 61.300 0.079 0.000 1.098 209 I CB 1.323 39.428 38.000 0.176 0.000 1.279 209 I HN -0.231 7.979 8.210 0.000 0.000 0.437 210 N N 4.816 123.540 118.700 0.041 0.000 2.558 210 N HA 0.583 5.320 4.740 -0.004 0.000 0.233 210 N C -0.771 174.761 175.510 0.037 0.000 1.038 210 N CA -0.103 52.964 53.050 0.028 0.000 0.934 210 N CB 1.528 40.027 38.487 0.019 0.000 1.175 210 N HN 0.837 9.217 8.380 0.000 0.000 0.512 211 A N 0.334 123.173 122.820 0.033 0.000 2.527 211 A HA 0.754 5.072 4.320 -0.004 0.000 0.293 211 A C 1.130 178.724 177.584 0.016 0.000 1.117 211 A CA -0.450 51.605 52.037 0.029 0.000 0.723 211 A CB 0.881 19.904 19.000 0.038 0.000 1.313 211 A HN 0.427 8.577 8.150 0.000 0.000 0.411 212 G N 0.322 109.113 108.800 -0.017 0.000 2.552 212 G HA2 0.115 4.073 3.960 -0.004 0.000 0.216 212 G HA3 0.115 4.073 3.960 -0.004 0.000 0.216 212 G C 0.426 175.378 174.900 0.087 0.000 1.240 212 G CA 0.995 46.095 45.100 0.001 0.000 0.796 212 G HN 0.587 8.877 8.290 0.000 0.000 0.568 213 K N -0.521 119.980 120.400 0.170 0.000 2.469 213 K HA 0.572 4.890 4.320 -0.004 0.000 0.254 213 K C -1.257 175.483 176.600 0.233 0.000 0.939 213 K CA -0.573 55.832 56.287 0.198 0.000 0.812 213 K CB 2.545 35.208 32.500 0.271 0.000 1.301 213 K HN 0.149 8.399 8.250 0.000 0.000 0.433 214 I N 2.325 122.958 120.570 0.104 0.000 2.404 214 I HA 0.412 4.580 4.170 -0.004 0.000 0.293 214 I C -0.686 175.601 176.117 0.283 0.000 0.992 214 I CA -0.834 60.574 61.300 0.180 0.000 1.149 214 I CB 0.842 38.807 38.000 -0.059 0.000 1.315 214 I HN 0.284 8.494 8.210 0.000 0.000 0.446 215 F N 5.199 125.323 119.950 0.291 0.000 2.507 215 F HA 0.458 4.983 4.527 -0.005 0.000 0.327 215 F C -0.144 176.023 175.800 0.611 0.000 1.068 215 F CA -1.060 57.191 58.000 0.418 0.000 0.965 215 F CB 1.409 40.664 39.000 0.424 0.000 1.192 215 F HN 0.194 8.494 8.300 0.000 0.000 0.476 216 L N 2.347 123.994 121.223 0.707 0.000 2.268 216 L HA 0.592 4.930 4.340 -0.004 0.000 0.289 216 L C 0.205 177.433 176.870 0.598 0.000 1.064 216 L CA 0.029 55.243 54.840 0.623 0.000 0.824 216 L CB -0.082 42.095 42.059 0.197 0.000 1.202 216 L HN 0.643 8.873 8.230 0.000 0.000 0.433 217 G N 6.444 115.671 108.800 0.711 0.000 2.339 217 G HA2 0.543 4.501 3.960 -0.004 0.000 0.287 217 G HA3 0.543 4.501 3.960 -0.004 0.000 0.287 217 G C -0.810 174.478 174.900 0.647 0.000 1.163 217 G CA -0.388 45.076 45.100 0.607 0.000 0.872 217 G HN 0.581 8.871 8.290 0.000 0.000 0.464 218 L N 2.800 124.251 121.223 0.380 0.000 2.359 218 L HA 0.473 4.811 4.340 -0.004 0.000 0.256 218 L C -2.514 174.164 176.870 -0.319 0.000 1.026 218 L CA -2.401 52.504 54.840 0.107 0.000 0.828 218 L CB 3.166 45.270 42.059 0.076 0.000 1.406 218 L HN 0.275 8.505 8.230 0.000 0.000 0.413 219 P HA 0.191 4.611 4.420 0.000 0.000 0.285 219 P C -0.260 176.843 177.300 -0.327 0.000 1.259 219 P CA -0.293 62.521 63.100 -0.477 0.000 0.794 219 P CB 1.410 32.879 31.700 -0.385 0.000 0.940 220 A N 2.679 125.355 122.820 -0.240 0.000 2.168 220 A HA 0.399 4.717 4.320 -0.004 0.000 0.215 220 A C 0.881 178.373 177.584 -0.153 0.000 1.152 220 A CA 1.427 53.302 52.037 -0.269 0.000 0.716 220 A CB -0.533 18.454 19.000 -0.021 0.000 0.794 220 A HN 0.613 8.763 8.150 0.000 0.000 0.465 221 A N -2.123 120.598 122.820 -0.166 0.000 2.610 221 A HA 0.628 4.946 4.320 -0.004 0.000 0.291 221 A C -2.530 174.685 177.584 -0.615 0.000 1.086 221 A CA -0.944 50.873 52.037 -0.368 0.000 0.677 221 A CB 0.104 18.993 19.000 -0.185 0.000 1.278 221 A HN -0.092 8.058 8.150 0.000 0.000 0.414 222 P HA -0.107 4.313 4.420 0.000 0.000 0.218 222 P C 0.607 177.715 177.300 -0.320 0.000 1.148 222 P CA 1.598 64.337 63.100 -0.602 0.000 0.822 222 P CB 0.289 31.677 31.700 -0.520 0.000 0.784 223 E N -1.001 118.994 120.200 -0.342 0.000 2.478 223 E HA 0.095 4.442 4.350 -0.004 0.000 0.194 223 E C 1.888 178.147 176.600 -0.568 0.000 1.045 223 E CA 0.471 56.689 56.400 -0.303 0.000 0.868 223 E CB -0.663 28.952 29.700 -0.141 0.000 0.885 223 E HN 0.147 8.507 8.360 0.000 0.000 0.505 224 A N 0.485 122.860 122.820 -0.741 0.000 2.066 224 A HA 0.382 4.699 4.320 -0.004 0.000 0.218 224 A C 1.128 178.596 177.584 -0.194 0.000 1.157 224 A CA 1.094 52.690 52.037 -0.734 0.000 0.670 224 A CB 0.083 18.806 19.000 -0.462 0.000 0.804 224 A HN 0.234 8.384 8.150 0.000 0.000 0.453 225 A N -3.013 119.715 122.820 -0.152 0.000 2.593 225 A HA 0.579 4.896 4.320 -0.004 0.000 0.290 225 A C 1.043 178.638 177.584 0.017 0.000 1.126 225 A CA 0.100 52.132 52.037 -0.008 0.000 0.695 225 A CB -0.033 18.999 19.000 0.054 0.000 1.290 225 A HN 0.598 8.748 8.150 0.000 0.000 0.414 226 G N -0.288 108.551 108.800 0.065 0.000 2.421 226 G HA2 0.344 4.302 3.960 -0.004 0.000 0.217 226 G HA3 0.344 4.302 3.960 -0.004 0.000 0.217 226 G C 0.607 175.550 174.900 0.071 0.000 1.143 226 G CA 1.638 46.770 45.100 0.053 0.000 0.784 226 G HN 2.032 10.322 8.290 0.000 0.000 0.541 227 S N -4.222 111.549 115.700 0.118 0.000 2.615 227 S HA 0.517 4.984 4.470 -0.004 0.000 0.268 227 S C 0.301 175.033 174.600 0.220 0.000 1.146 227 S CA 0.296 58.581 58.200 0.142 0.000 0.818 227 S CB 1.213 64.481 63.200 0.114 0.000 1.111 227 S HN 1.686 9.996 8.310 0.000 0.000 0.465 228 G N -0.320 108.623 108.800 0.238 0.000 2.179 228 G HA2 -0.195 3.763 3.960 -0.004 0.000 0.220 228 G HA3 -0.195 3.763 3.960 -0.004 0.000 0.220 228 G C -0.192 174.883 174.900 0.292 0.000 0.990 228 G CA -0.026 45.256 45.100 0.304 0.000 0.646 228 G HN 1.568 9.858 8.290 0.000 0.000 0.517 229 Y N 1.476 121.850 120.300 0.123 0.000 2.610 229 Y HA 0.418 4.965 4.550 -0.004 0.000 0.332 229 Y C 0.274 176.259 175.900 0.143 0.000 1.201 229 Y CA 0.264 58.395 58.100 0.050 0.000 1.465 229 Y CB 0.889 39.350 38.460 0.001 0.000 1.283 229 Y HN 0.207 8.487 8.280 0.000 0.000 0.563 230 V N 9.013 128.482 119.914 -0.742 0.000 2.444 230 V HA 0.322 4.440 4.120 -0.004 0.000 0.294 230 V C -2.253 173.373 176.094 -0.780 0.000 1.022 230 V CA -2.221 59.684 62.300 -0.658 0.000 0.850 230 V CB 1.456 32.981 31.823 -0.496 0.000 0.992 230 V HN 0.731 8.921 8.190 0.000 0.000 0.426 231 P HA 0.132 4.552 4.420 0.000 0.000 0.266 231 P C -2.040 175.168 177.300 -0.154 0.000 1.195 231 P CA -0.866 62.123 63.100 -0.185 0.000 0.768 231 P CB 0.301 31.989 31.700 -0.021 0.000 0.838 232 P HA -0.262 4.158 4.420 0.000 0.000 0.216 232 P C 1.158 178.343 177.300 -0.192 0.000 1.157 232 P CA 1.703 64.644 63.100 -0.265 0.000 0.880 232 P CB -0.264 31.263 31.700 -0.288 0.000 0.791 233 D N -0.749 119.577 120.400 -0.124 0.000 2.149 233 D HA -0.119 4.519 4.640 -0.004 0.000 0.198 233 D C 1.787 178.017 176.300 -0.118 0.000 0.990 233 D CA 1.260 55.199 54.000 -0.101 0.000 0.839 233 D CB -1.101 39.665 40.800 -0.058 0.000 0.948 233 D HN 0.070 8.440 8.370 0.000 0.000 0.460 234 V N 0.898 120.723 119.914 -0.148 0.000 2.358 234 V HA -0.197 3.921 4.120 -0.004 0.000 0.246 234 V C 2.666 178.629 176.094 -0.219 0.000 1.047 234 V CA 1.188 63.374 62.300 -0.189 0.000 1.035 234 V CB -0.665 30.973 31.823 -0.309 0.000 0.658 234 V HN 0.129 8.319 8.190 0.000 0.000 0.452 235 L N 0.067 121.148 121.223 -0.237 0.000 2.017 235 L HA -0.150 4.188 4.340 -0.004 0.000 0.208 235 L C 2.188 178.954 176.870 -0.173 0.000 1.073 235 L CA 1.983 56.699 54.840 -0.207 0.000 0.745 235 L CB -0.468 41.494 42.059 -0.161 0.000 0.894 235 L HN 0.210 8.440 8.230 0.000 0.000 0.432 236 I N -0.762 119.712 120.570 -0.159 0.000 2.142 236 I HA -0.271 3.896 4.170 -0.004 0.000 0.240 236 I C 2.373 178.418 176.117 -0.120 0.000 1.078 236 I CA 1.641 62.861 61.300 -0.135 0.000 1.343 236 I CB -0.482 37.443 38.000 -0.125 0.000 1.046 236 I HN 0.481 8.691 8.210 0.000 0.000 0.405 237 S N -0.058 115.577 115.700 -0.108 0.000 2.528 237 S HA 0.109 4.577 4.470 -0.004 0.000 0.219 237 S C 1.841 176.389 174.600 -0.088 0.000 0.985 237 S CA -0.007 58.141 58.200 -0.088 0.000 0.914 237 S CB 0.101 63.260 63.200 -0.068 0.000 0.776 237 S HN 0.394 8.704 8.310 0.000 0.000 0.526 238 R N -0.501 119.936 120.500 -0.105 0.000 2.470 238 R HA 0.502 4.840 4.340 -0.004 0.000 0.210 238 R C 1.634 177.861 176.300 -0.122 0.000 0.873 238 R CA 0.321 56.365 56.100 -0.093 0.000 1.015 238 R CB 0.091 30.352 30.300 -0.066 0.000 1.348 238 R HN 0.334 8.604 8.270 0.000 0.000 0.650 239 I N 0.565 121.036 120.570 -0.165 0.000 2.685 239 I HA -0.073 4.094 4.170 -0.004 0.000 0.251 239 I C 1.961 177.915 176.117 -0.272 0.000 1.102 239 I CA 0.666 61.839 61.300 -0.213 0.000 1.442 239 I CB -0.006 37.853 38.000 -0.235 0.000 1.194 239 I HN 0.021 8.231 8.210 0.000 0.000 0.448 240 L N 1.178 122.249 121.223 -0.253 0.000 2.042 240 L HA -0.151 4.187 4.340 -0.004 0.000 0.210 240 L C -0.372 176.315 176.870 -0.305 0.000 1.076 240 L CA 1.767 56.426 54.840 -0.301 0.000 0.749 240 L CB -1.891 40.036 42.059 -0.220 0.000 0.893 240 L HN 0.165 8.395 8.230 0.000 0.000 0.432 241 P HA -0.168 4.252 4.420 0.000 0.000 0.218 241 P C 1.306 178.499 177.300 -0.179 0.000 1.146 241 P CA 1.203 64.198 63.100 -0.175 0.000 0.813 241 P CB 0.081 31.707 31.700 -0.124 0.000 0.778 242 E N -0.478 119.603 120.200 -0.199 0.000 2.030 242 E HA -0.038 4.309 4.350 -0.004 0.000 0.189 242 E C 2.106 178.576 176.600 -0.216 0.000 0.974 242 E CA 0.898 57.199 56.400 -0.167 0.000 0.807 242 E CB -0.822 28.793 29.700 -0.141 0.000 0.771 242 E HN 0.353 8.713 8.360 0.000 0.000 0.451 243 I N -0.958 119.361 120.570 -0.419 0.000 2.493 243 I HA -0.096 4.072 4.170 -0.004 0.000 0.254 243 I C 1.753 177.602 176.117 -0.445 0.000 1.160 243 I CA 1.121 62.055 61.300 -0.609 0.000 1.445 243 I CB -0.252 36.894 38.000 -1.423 0.000 1.086 243 I HN -0.150 8.060 8.210 0.000 0.000 0.433 244 K N 1.534 121.557 120.400 -0.628 0.000 2.504 244 K HA -0.014 4.303 4.320 -0.004 0.000 0.195 244 K C 1.731 178.176 176.600 -0.260 0.000 1.036 244 K CA 0.681 56.502 56.287 -0.776 0.000 0.984 244 K CB -0.020 32.053 32.500 -0.712 0.000 0.788 244 K HN 0.448 8.698 8.250 0.000 0.000 0.488 245 K N 0.587 120.913 120.400 -0.123 0.000 2.296 245 K HA 0.002 4.319 4.320 -0.004 0.000 0.200 245 K C 0.927 177.572 176.600 0.075 0.000 1.048 245 K CA 0.125 56.403 56.287 -0.015 0.000 0.966 245 K CB 0.243 32.738 32.500 -0.009 0.000 0.754 245 K HN -0.080 8.170 8.250 0.000 0.000 0.466 246 S N 1.905 117.706 115.700 0.169 0.000 2.549 246 S HA 0.091 4.558 4.470 -0.004 0.000 0.279 246 S C -1.524 173.208 174.600 0.221 0.000 1.321 246 S CA -1.563 56.779 58.200 0.237 0.000 1.054 246 S CB 0.826 64.274 63.200 0.414 0.000 0.899 246 S HN 0.027 8.337 8.310 0.000 0.000 0.497 247 P HA -0.001 4.419 4.420 0.000 0.000 0.230 247 P C 0.331 177.715 177.300 0.141 0.000 1.158 247 P CA 0.838 64.017 63.100 0.131 0.000 0.769 247 P CB 0.140 31.892 31.700 0.086 0.000 0.807 248 K N -1.417 119.075 120.400 0.153 0.000 2.393 248 K HA 0.018 4.335 4.320 -0.004 0.000 0.193 248 K C 0.555 177.252 176.600 0.161 0.000 1.026 248 K CA -0.437 55.919 56.287 0.115 0.000 1.064 248 K CB -0.213 32.312 32.500 0.042 0.000 0.833 248 K HN 0.087 8.337 8.250 0.000 0.000 0.521 249 Y N 0.981 121.385 120.300 0.174 0.000 2.721 249 Y HA -0.033 4.514 4.550 -0.004 0.000 0.329 249 Y C 1.112 176.995 175.900 -0.029 0.000 1.211 249 Y CA 0.297 58.528 58.100 0.219 0.000 1.512 249 Y CB 0.743 39.328 38.460 0.208 0.000 1.249 249 Y HN 0.054 8.334 8.280 0.000 0.000 0.549 250 G N 2.666 110.894 108.800 -0.952 0.000 2.781 250 G HA2 0.472 4.430 3.960 -0.004 0.000 0.208 250 G HA3 0.472 4.430 3.960 -0.004 0.000 0.208 250 G C 0.425 174.358 174.900 -1.611 0.000 1.099 250 G CA 0.369 44.681 45.100 -1.314 0.000 0.776 250 G HN 1.327 9.617 8.290 0.000 0.000 0.532 251 G N -1.208 106.542 108.800 -1.750 0.000 2.366 251 G HA2 0.315 4.272 3.960 -0.004 0.000 0.190 251 G HA3 0.315 4.272 3.960 -0.004 0.000 0.190 251 G C -1.751 173.137 174.900 -0.019 0.000 1.299 251 G CA 0.044 44.700 45.100 -0.740 0.000 1.056 251 G HN 0.695 8.985 8.290 0.000 0.000 0.468 252 V N 1.572 121.699 119.914 0.355 0.000 2.823 252 V HA 0.810 4.927 4.120 -0.004 0.000 0.312 252 V C -0.077 176.286 176.094 0.449 0.000 1.072 252 V CA -0.695 61.855 62.300 0.416 0.000 0.937 252 V CB 1.874 33.882 31.823 0.307 0.000 1.013 252 V HN 0.920 9.110 8.190 0.000 0.000 0.430 253 M N 5.238 125.081 119.600 0.404 0.000 2.456 253 M HA 0.684 5.162 4.480 -0.004 0.000 0.324 253 M C -2.070 174.378 176.300 0.246 0.000 1.124 253 M CA -0.495 54.948 55.300 0.239 0.000 0.959 253 M CB 1.606 34.347 32.600 0.235 0.000 1.692 253 M HN 0.587 8.877 8.290 0.000 0.000 0.444 254 L N 4.086 125.417 121.223 0.180 0.000 2.408 254 L HA 0.566 4.903 4.340 -0.004 0.000 0.268 254 L C -1.448 175.540 176.870 0.197 0.000 0.986 254 L CA -0.641 54.295 54.840 0.161 0.000 0.820 254 L CB 2.616 44.761 42.059 0.143 0.000 1.303 254 L HN 0.732 8.962 8.230 0.000 0.000 0.411 255 W N 4.185 125.459 121.300 -0.042 0.000 2.424 255 W HA 0.604 5.262 4.660 -0.003 0.000 0.318 255 W C -0.814 175.708 176.519 0.005 0.000 1.016 255 W CA -0.350 56.981 57.345 -0.024 0.000 1.268 255 W CB 1.878 31.277 29.460 -0.102 0.000 1.297 255 W HN 0.690 8.870 8.180 0.000 0.000 0.428 256 S N 3.645 119.173 115.700 -0.287 0.000 2.840 256 S HA 0.347 4.815 4.470 -0.004 0.000 0.307 256 S C 0.759 175.232 174.600 -0.212 0.000 1.180 256 S CA -0.630 57.273 58.200 -0.495 0.000 0.846 256 S CB 2.234 64.666 63.200 -1.281 0.000 1.233 256 S HN 0.326 8.636 8.310 0.000 0.000 0.548 257 K N 0.432 120.703 120.400 -0.215 0.000 2.044 257 K HA -0.089 4.228 4.320 -0.004 0.000 0.210 257 K C 1.762 178.342 176.600 -0.034 0.000 1.049 257 K CA 2.173 58.412 56.287 -0.079 0.000 0.927 257 K CB -1.146 31.370 32.500 0.026 0.000 0.713 257 K HN 0.558 8.808 8.250 0.000 0.000 0.443 258 F N 0.148 119.943 119.950 -0.257 0.000 2.065 258 F HA -0.242 4.282 4.527 -0.004 0.000 0.298 258 F C 1.672 177.275 175.800 -0.328 0.000 1.112 258 F CA 1.856 59.651 58.000 -0.340 0.000 1.212 258 F CB -0.694 37.964 39.000 -0.569 0.000 0.975 258 F HN 0.126 8.426 8.300 0.000 0.000 0.476 259 Y N -0.039 120.129 120.300 -0.221 0.000 2.373 259 Y HA -0.106 4.442 4.550 -0.004 0.000 0.293 259 Y C 2.294 178.084 175.900 -0.183 0.000 1.129 259 Y CA 1.351 59.287 58.100 -0.273 0.000 1.226 259 Y CB -0.976 37.414 38.460 -0.116 0.000 1.000 259 Y HN 0.160 8.440 8.280 0.000 0.000 0.549 260 D N -0.005 120.408 120.400 0.021 0.000 2.144 260 D HA -0.158 4.479 4.640 -0.004 0.000 0.200 260 D C 1.490 177.818 176.300 0.047 0.000 0.978 260 D CA 1.473 55.528 54.000 0.092 0.000 0.833 260 D CB -0.059 40.834 40.800 0.154 0.000 0.961 260 D HN 0.200 8.570 8.370 0.000 0.000 0.470 261 D N 0.083 120.456 120.400 -0.046 0.000 2.117 261 D HA -0.105 4.532 4.640 -0.004 0.000 0.198 261 D C 1.995 178.229 176.300 -0.109 0.000 0.982 261 D CA 0.839 54.799 54.000 -0.067 0.000 0.828 261 D CB -0.089 40.648 40.800 -0.105 0.000 0.967 261 D HN 0.335 8.705 8.370 0.000 0.000 0.464 262 K N 0.209 120.479 120.400 -0.217 0.000 2.148 262 K HA -0.093 4.224 4.320 -0.004 0.000 0.204 262 K C 1.647 178.208 176.600 -0.065 0.000 1.050 262 K CA 0.817 56.993 56.287 -0.185 0.000 0.942 262 K CB 0.009 32.328 32.500 -0.302 0.000 0.724 262 K HN -0.024 8.226 8.250 0.000 0.000 0.446 263 N N -0.428 118.267 118.700 -0.009 0.000 2.356 263 N HA 0.010 4.747 4.740 -0.004 0.000 0.178 263 N C 0.303 175.879 175.510 0.110 0.000 1.075 263 N CA 0.721 53.809 53.050 0.063 0.000 0.889 263 N CB 0.762 39.310 38.487 0.102 0.000 0.999 263 N HN 0.214 8.594 8.380 0.000 0.000 0.464 264 G N 0.349 109.204 108.800 0.091 0.000 2.323 264 G HA2 -0.348 3.610 3.960 -0.004 0.000 0.292 264 G HA3 -0.348 3.610 3.960 -0.004 0.000 0.292 264 G C 0.415 175.392 174.900 0.129 0.000 1.040 264 G CA 0.723 45.874 45.100 0.084 0.000 0.942 264 G HN 0.477 8.767 8.290 0.000 0.000 0.506 265 Y N 1.546 121.884 120.300 0.062 0.000 2.133 265 Y HA -0.127 4.421 4.550 -0.004 0.000 0.287 265 Y C 2.989 178.925 175.900 0.060 0.000 1.134 265 Y CA 2.748 60.894 58.100 0.077 0.000 1.133 265 Y CB -0.350 38.179 38.460 0.116 0.000 0.987 265 Y HN 0.609 8.889 8.280 0.000 0.000 0.502 266 S N -1.511 114.320 115.700 0.218 0.000 2.382 266 S HA -0.195 4.272 4.470 -0.004 0.000 0.228 266 S C 2.110 176.704 174.600 -0.010 0.000 1.027 266 S CA 1.470 59.740 58.200 0.117 0.000 0.991 266 S CB -0.891 62.419 63.200 0.183 0.000 0.823 266 S HN 0.374 8.684 8.310 0.000 0.000 0.469 267 S N 1.686 117.378 115.700 -0.014 0.000 2.419 267 S HA 0.005 4.472 4.470 -0.004 0.000 0.233 267 S C 2.028 176.588 174.600 -0.067 0.000 1.016 267 S CA 1.225 59.396 58.200 -0.047 0.000 0.974 267 S CB -0.408 62.774 63.200 -0.031 0.000 0.786 267 S HN 0.672 8.982 8.310 0.000 0.000 0.492 268 S N 1.167 116.809 115.700 -0.097 0.000 2.478 268 S HA 0.195 4.663 4.470 -0.004 0.000 0.222 268 S C 1.649 176.148 174.600 -0.167 0.000 1.008 268 S CA 0.462 58.581 58.200 -0.134 0.000 0.928 268 S CB -0.101 62.999 63.200 -0.168 0.000 0.781 268 S HN 0.759 9.069 8.310 0.000 0.000 0.518 269 I N -1.952 118.505 120.570 -0.190 0.000 4.139 269 I HA 0.302 4.470 4.170 -0.004 0.000 0.335 269 I C 1.689 177.761 176.117 -0.074 0.000 1.327 269 I CA -0.134 61.068 61.300 -0.163 0.000 1.112 269 I CB -0.090 37.768 38.000 -0.237 0.000 1.058 269 I HN 0.021 8.231 8.210 0.000 0.000 0.396 270 L N 2.649 123.839 121.223 -0.055 0.000 2.011 270 L HA -0.291 4.046 4.340 -0.004 0.000 0.225 270 L C 1.952 178.813 176.870 -0.015 0.000 1.084 270 L CA 2.265 57.089 54.840 -0.026 0.000 0.791 270 L CB -0.933 41.095 42.059 -0.051 0.000 0.898 270 L HN 0.321 8.551 8.230 0.000 0.000 0.440 271 D N -1.304 119.078 120.400 -0.030 0.000 2.263 271 D HA -0.096 4.542 4.640 -0.004 0.000 0.208 271 D C 2.096 178.387 176.300 -0.015 0.000 0.971 271 D CA 1.306 55.293 54.000 -0.021 0.000 0.867 271 D CB 0.055 40.837 40.800 -0.031 0.000 0.929 271 D HN 0.417 8.787 8.370 0.000 0.000 0.492 272 S N -0.110 115.575 115.700 -0.025 0.000 2.501 272 S HA 0.048 4.515 4.470 -0.004 0.000 0.220 272 S C 1.230 175.831 174.600 0.002 0.000 0.997 272 S CA -0.209 57.972 58.200 -0.030 0.000 0.919 272 S CB 0.753 63.916 63.200 -0.062 0.000 0.778 272 S HN -0.000 8.310 8.310 0.000 0.000 0.523 273 V N 0.000 119.942 119.914 0.047 0.000 2.409 273 V HA 0.000 4.118 4.120 -0.004 0.000 0.244 273 V CA 0.000 62.386 62.300 0.143 0.000 1.235 273 V CB 0.000 31.914 31.823 0.152 0.000 1.184 273 V HN 0.000 8.190 8.190 0.000 0.000 0.556