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 3bfj_1_Q DATA FIRST_RESID 4 DATA SEQUENCE RMFDYLVPNV NFFGPNAISV VGERCQLLGG KKALLVTDKG LRXXKDGAVD DATA SEQUENCE KTLHYLREAG IEVAIFDGVE PNPKDTNVRD GLAVFRREQC DIIVTVGGGS DATA SEQUENCE PHDCGKGIGI AATHEGDLYQ YAGIETLTNP LPPIVAVNTT AGTASEVTRH DATA SEQUENCE CVLTNTETKV KFVIVSWRNL PSVSINDPLL MIGKPAALTA ATGMDALTHA DATA SEQUENCE VEAYISKDAN PVTDAAAMQA IRLIARNLRQ AVALGSNLQA REYMAYASLL DATA SEQUENCE AGMAFNNANL GYVHAMAHQL GGLYDMPHGV ANAVLLPHVA RYNLIANPEK DATA SEQUENCE FADIAELMGE NITGLSTLDA AEKAIAAITR LSMDIGIPQH LRDLGVKETD DATA SEQUENCE FPYMAEMALK DGNAFSNPRK GNEQEIAAIF RQAF 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 4 R HA 0.000 4.340 4.340 0.000 0.000 0.208 4 R C 0.000 175.998 176.300 -0.503 0.000 0.893 4 R CA 0.000 55.895 56.100 -0.342 0.000 0.921 4 R CB 0.000 30.202 30.300 -0.163 0.000 0.687 5 M N 1.520 120.770 119.600 -0.582 0.000 2.537 5 M HA 0.599 5.077 4.480 -0.003 0.000 0.324 5 M C -1.587 174.299 176.300 -0.690 0.000 1.187 5 M CA -0.686 54.350 55.300 -0.438 0.000 0.993 5 M CB 1.674 34.148 32.600 -0.209 0.000 1.666 5 M HN 0.094 8.384 8.290 0.000 0.000 0.461 6 F N 0.960 120.913 119.950 0.006 0.000 2.588 6 F HA 0.366 4.891 4.527 -0.003 0.000 0.310 6 F C -0.533 175.284 175.800 0.028 0.000 1.082 6 F CA -0.929 57.085 58.000 0.022 0.000 0.929 6 F CB 1.653 40.674 39.000 0.034 0.000 1.254 6 F HN 0.545 8.845 8.300 0.000 0.000 0.455 7 D N 0.002 120.543 120.400 0.236 0.000 2.228 7 D HA 0.452 5.090 4.640 -0.003 0.000 0.247 7 D C -1.646 174.782 176.300 0.212 0.000 0.995 7 D CA -0.567 53.528 54.000 0.158 0.000 0.903 7 D CB 1.936 42.780 40.800 0.073 0.000 1.205 7 D HN 0.505 8.875 8.370 0.000 0.000 0.459 8 Y N 1.014 121.324 120.300 0.017 0.000 2.317 8 Y HA 0.361 4.910 4.550 -0.002 0.000 0.325 8 Y C -1.790 174.095 175.900 -0.025 0.000 1.066 8 Y CA -0.836 57.259 58.100 -0.009 0.000 1.203 8 Y CB 0.906 39.356 38.460 -0.016 0.000 1.127 8 Y HN 0.451 8.731 8.280 0.000 0.000 0.451 9 L N 6.913 127.971 121.223 -0.276 0.000 2.334 9 L HA 0.938 5.276 4.340 -0.003 0.000 0.273 9 L C -1.004 175.673 176.870 -0.322 0.000 1.013 9 L CA -1.463 53.262 54.840 -0.191 0.000 0.816 9 L CB 1.847 43.841 42.059 -0.108 0.000 1.278 9 L HN 0.444 8.674 8.230 0.000 0.000 0.431 10 V N 2.214 122.029 119.914 -0.165 0.000 3.108 10 V HA 0.401 4.520 4.120 -0.003 0.000 0.287 10 V C -2.513 173.548 176.094 -0.056 0.000 1.436 10 V CA -1.285 60.926 62.300 -0.148 0.000 1.001 10 V CB 3.066 34.810 31.823 -0.132 0.000 1.141 10 V HN 0.570 8.760 8.190 0.000 0.000 0.443 11 P HA 0.150 4.570 4.420 0.000 0.000 0.266 11 P C 0.353 177.650 177.300 -0.005 0.000 1.193 11 P CA 0.442 63.530 63.100 -0.020 0.000 0.770 11 P CB 0.450 32.136 31.700 -0.024 0.000 0.836 12 N N 1.695 120.401 118.700 0.010 0.000 2.104 12 N HA -0.086 4.652 4.740 -0.003 0.000 0.190 12 N C -0.170 175.325 175.510 -0.025 0.000 1.024 12 N CA 1.194 54.248 53.050 0.008 0.000 0.853 12 N CB 0.034 38.536 38.487 0.026 0.000 1.008 12 N HN 0.139 8.519 8.380 0.000 0.000 0.424 13 V N 0.931 120.824 119.914 -0.035 0.000 2.577 13 V HA 0.412 4.530 4.120 -0.003 0.000 0.303 13 V C -1.260 174.761 176.094 -0.122 0.000 1.042 13 V CA -0.920 61.315 62.300 -0.108 0.000 0.872 13 V CB 1.659 33.448 31.823 -0.057 0.000 0.998 13 V HN 0.153 8.343 8.190 0.000 0.000 0.423 14 N N 3.936 122.484 118.700 -0.253 0.000 2.296 14 N HA 0.740 5.478 4.740 -0.003 0.000 0.294 14 N C -1.430 173.834 175.510 -0.409 0.000 1.033 14 N CA -0.399 52.562 53.050 -0.148 0.000 0.839 14 N CB 2.044 40.546 38.487 0.026 0.000 1.395 14 N HN 0.475 8.855 8.380 0.000 0.000 0.479 15 F N 2.139 122.072 119.950 -0.028 0.000 2.495 15 F HA 0.638 5.164 4.527 -0.003 0.000 0.327 15 F C -0.495 175.315 175.800 0.017 0.000 1.103 15 F CA -0.839 57.077 58.000 -0.139 0.000 0.949 15 F CB 0.985 39.926 39.000 -0.099 0.000 1.142 15 F HN 0.392 8.692 8.300 0.000 0.000 0.457 16 F N 0.026 120.103 119.950 0.213 0.000 2.645 16 F HA 0.961 5.486 4.527 -0.003 0.000 0.310 16 F C -0.239 175.699 175.800 0.230 0.000 1.102 16 F CA -1.474 56.657 58.000 0.219 0.000 0.952 16 F CB 1.730 40.866 39.000 0.226 0.000 1.326 16 F HN 0.828 9.128 8.300 0.000 0.000 0.456 17 G N 0.760 109.904 108.800 0.573 0.000 2.484 17 G HA2 0.224 4.182 3.960 -0.003 0.000 0.685 17 G HA3 0.224 4.182 3.960 -0.003 0.000 0.685 17 G C -3.528 171.492 174.900 0.200 0.000 1.294 17 G CA -1.138 44.203 45.100 0.401 0.000 0.879 17 G HN 0.574 8.864 8.290 0.000 0.000 0.646 18 P HA 0.146 4.566 4.420 0.000 0.000 0.262 18 P C 0.624 177.954 177.300 0.050 0.000 1.182 18 P CA 0.801 63.941 63.100 0.067 0.000 0.761 18 P CB 0.542 32.268 31.700 0.043 0.000 0.795 19 N N 1.520 120.240 118.700 0.033 0.000 2.800 19 N HA -0.237 4.501 4.740 -0.003 0.000 0.250 19 N C 1.040 176.515 175.510 -0.059 0.000 1.078 19 N CA 1.124 54.174 53.050 -0.000 0.000 0.804 19 N CB -1.629 36.862 38.487 0.007 0.000 1.135 19 N HN 0.451 8.831 8.380 0.000 0.000 0.565 20 A N -0.109 122.702 122.820 -0.016 0.000 2.032 20 A HA -0.126 4.193 4.320 -0.003 0.000 0.221 20 A C 2.132 179.623 177.584 -0.155 0.000 1.165 20 A CA 1.495 53.505 52.037 -0.043 0.000 0.645 20 A CB -0.396 18.657 19.000 0.088 0.000 0.807 20 A HN 0.442 8.592 8.150 0.000 0.000 0.453 21 I N 1.062 121.552 120.570 -0.133 0.000 2.530 21 I HA -0.200 3.968 4.170 -0.003 0.000 0.257 21 I C 2.427 178.232 176.117 -0.520 0.000 1.179 21 I CA 1.737 62.925 61.300 -0.187 0.000 1.440 21 I CB -0.340 37.639 38.000 -0.036 0.000 1.087 21 I HN 0.428 8.638 8.210 0.000 0.000 0.440 22 S N -0.512 114.759 115.700 -0.715 0.000 2.537 22 S HA -0.101 4.368 4.470 -0.003 0.000 0.240 22 S C 1.667 175.830 174.600 -0.729 0.000 0.981 22 S CA 0.934 58.416 58.200 -1.196 0.000 0.948 22 S CB -1.262 61.551 63.200 -0.645 0.000 0.759 22 S HN 0.437 8.747 8.310 0.000 0.000 0.531 23 V N -0.811 118.774 119.914 -0.549 0.000 3.621 23 V HA 0.197 4.315 4.120 -0.003 0.000 0.285 23 V C 2.012 177.922 176.094 -0.307 0.000 1.346 23 V CA 0.314 62.330 62.300 -0.473 0.000 1.104 23 V CB -0.818 30.514 31.823 -0.818 0.000 0.913 23 V HN 0.382 8.572 8.190 0.000 0.000 0.432 24 V N 0.851 120.630 119.914 -0.225 0.000 2.282 24 V HA -0.117 4.001 4.120 -0.003 0.000 0.249 24 V C 2.681 178.753 176.094 -0.036 0.000 1.057 24 V CA 2.605 64.856 62.300 -0.081 0.000 1.032 24 V CB -2.108 29.714 31.823 -0.002 0.000 0.645 24 V HN 0.496 8.686 8.190 0.000 0.000 0.447 25 G N -0.444 108.349 108.800 -0.012 0.000 2.480 25 G HA2 -0.306 3.652 3.960 -0.003 0.000 0.216 25 G HA3 -0.306 3.652 3.960 -0.003 0.000 0.216 25 G C 1.555 176.444 174.900 -0.018 0.000 1.200 25 G CA 0.967 46.071 45.100 0.007 0.000 0.782 25 G HN 0.612 8.902 8.290 0.000 0.000 0.554 26 E N -0.003 120.168 120.200 -0.047 0.000 2.097 26 E HA -0.191 4.157 4.350 -0.003 0.000 0.196 26 E C 2.615 179.195 176.600 -0.033 0.000 1.000 26 E CA 0.767 57.138 56.400 -0.049 0.000 0.804 26 E CB -0.026 29.623 29.700 -0.085 0.000 0.740 26 E HN 0.181 8.541 8.360 0.000 0.000 0.454 27 R N -0.197 120.275 120.500 -0.046 0.000 2.189 27 R HA -0.028 4.310 4.340 -0.003 0.000 0.218 27 R C 2.341 178.654 176.300 0.021 0.000 1.074 27 R CA 0.660 56.761 56.100 0.002 0.000 0.991 27 R CB -0.685 29.622 30.300 0.011 0.000 0.883 27 R HN 0.355 8.625 8.270 0.000 0.000 0.457 28 C N 0.595 119.903 119.300 0.014 0.000 2.466 28 C HA -0.031 4.428 4.460 -0.003 0.000 0.278 28 C C 2.626 177.628 174.990 0.019 0.000 1.288 28 C CA 0.376 59.408 59.018 0.024 0.000 1.722 28 C CB -0.599 27.157 27.740 0.026 0.000 2.017 28 C HN 0.504 8.734 8.230 0.000 0.000 0.488 29 Q N 0.547 120.353 119.800 0.011 0.000 2.045 29 Q HA -0.201 4.138 4.340 -0.003 0.000 0.206 29 Q C 2.101 178.109 176.000 0.014 0.000 0.991 29 Q CA 1.519 57.327 55.803 0.009 0.000 0.851 29 Q CB -0.320 28.420 28.738 0.002 0.000 0.911 29 Q HN 0.657 8.927 8.270 0.000 0.000 0.418 30 L N 0.137 121.371 121.223 0.018 0.000 2.275 30 L HA -0.155 4.184 4.340 -0.003 0.000 0.215 30 L C 1.866 178.753 176.870 0.029 0.000 1.119 30 L CA 0.601 55.456 54.840 0.025 0.000 0.790 30 L CB -0.121 41.958 42.059 0.034 0.000 0.919 30 L HN 0.230 8.460 8.230 0.000 0.000 0.443 31 L N -0.694 120.548 121.223 0.031 0.000 2.592 31 L HA 0.191 4.529 4.340 -0.003 0.000 0.227 31 L C 1.403 178.289 176.870 0.028 0.000 1.127 31 L CA 0.446 55.306 54.840 0.033 0.000 0.884 31 L CB -0.127 41.955 42.059 0.039 0.000 1.065 31 L HN 0.398 8.628 8.230 0.000 0.000 0.457 32 G N 0.085 108.899 108.800 0.023 0.000 2.136 32 G HA2 -0.224 3.734 3.960 -0.003 0.000 0.242 32 G HA3 -0.224 3.734 3.960 -0.003 0.000 0.242 32 G C 0.499 175.409 174.900 0.017 0.000 0.989 32 G CA -0.123 44.987 45.100 0.018 0.000 0.682 32 G HN 0.495 8.785 8.290 0.000 0.000 0.522 33 G N -0.368 108.445 108.800 0.021 0.000 2.355 33 G HA2 0.535 4.493 3.960 -0.003 0.000 0.276 33 G HA3 0.535 4.493 3.960 -0.003 0.000 0.276 33 G C 0.778 175.683 174.900 0.009 0.000 1.198 33 G CA -0.099 45.014 45.100 0.021 0.000 0.876 33 G HN 0.191 8.481 8.290 0.000 0.000 0.478 34 K N 1.200 121.599 120.400 -0.001 0.000 2.313 34 K HA 0.123 4.442 4.320 -0.003 0.000 0.197 34 K C 0.714 177.306 176.600 -0.013 0.000 1.061 34 K CA 0.512 56.793 56.287 -0.009 0.000 0.980 34 K CB 0.648 33.138 32.500 -0.016 0.000 0.888 34 K HN 0.491 8.741 8.250 0.000 0.000 0.502 35 K N 0.479 120.866 120.400 -0.021 0.000 2.482 35 K HA 0.464 4.782 4.320 -0.003 0.000 0.251 35 K C -1.800 174.791 176.600 -0.014 0.000 0.936 35 K CA -0.379 55.892 56.287 -0.026 0.000 0.791 35 K CB 2.151 34.619 32.500 -0.054 0.000 1.213 35 K HN -0.010 8.240 8.250 0.000 0.000 0.428 36 A N 3.584 126.411 122.820 0.012 0.000 2.324 36 A HA 0.545 4.863 4.320 -0.003 0.000 0.330 36 A C -1.370 176.255 177.584 0.068 0.000 1.165 36 A CA -0.729 51.338 52.037 0.050 0.000 0.813 36 A CB 0.915 19.950 19.000 0.058 0.000 1.197 36 A HN 0.637 8.787 8.150 0.000 0.000 0.484 37 L N 3.350 124.649 121.223 0.127 0.000 2.261 37 L HA 0.375 4.713 4.340 -0.003 0.000 0.289 37 L C -0.601 176.363 176.870 0.158 0.000 1.059 37 L CA -0.447 54.493 54.840 0.167 0.000 0.816 37 L CB 0.942 43.173 42.059 0.286 0.000 1.191 37 L HN 0.618 8.848 8.230 0.000 0.000 0.431 38 L N 7.428 128.736 121.223 0.141 0.000 2.283 38 L HA 0.374 4.712 4.340 -0.003 0.000 0.287 38 L C -0.835 176.131 176.870 0.160 0.000 1.073 38 L CA -0.050 54.867 54.840 0.128 0.000 0.822 38 L CB 1.138 43.255 42.059 0.097 0.000 1.186 38 L HN 0.370 8.600 8.230 0.000 0.000 0.436 39 V N 5.569 125.578 119.914 0.159 0.000 2.347 39 V HA 0.622 4.740 4.120 -0.003 0.000 0.280 39 V C 0.319 176.470 176.094 0.094 0.000 1.021 39 V CA -0.209 62.208 62.300 0.196 0.000 0.847 39 V CB 1.465 33.415 31.823 0.211 0.000 0.990 39 V HN 0.943 9.133 8.190 0.000 0.000 0.444 40 T N 2.544 117.118 114.554 0.033 0.000 2.711 40 T HA 0.320 4.668 4.350 -0.003 0.000 0.302 40 T C -1.574 173.074 174.700 -0.087 0.000 1.373 40 T CA -0.528 61.555 62.100 -0.029 0.000 1.000 40 T CB 2.007 70.867 68.868 -0.013 0.000 1.483 40 T HN 0.598 8.838 8.240 0.000 0.000 0.499 41 D N 1.044 121.399 120.400 -0.074 0.000 2.312 41 D HA 0.367 5.006 4.640 -0.003 0.000 0.248 41 D C 0.932 177.182 176.300 -0.083 0.000 1.086 41 D CA -0.451 53.501 54.000 -0.081 0.000 0.948 41 D CB 1.414 42.182 40.800 -0.053 0.000 1.162 41 D HN 0.347 8.717 8.370 0.000 0.000 0.446 42 K N 0.933 121.282 120.400 -0.085 0.000 2.057 42 K HA -0.059 4.260 4.320 -0.003 0.000 0.206 42 K C 1.799 178.373 176.600 -0.043 0.000 1.050 42 K CA 0.737 56.981 56.287 -0.070 0.000 0.935 42 K CB -0.447 32.013 32.500 -0.067 0.000 0.715 42 K HN 0.547 8.797 8.250 0.000 0.000 0.439 43 G N 1.616 110.395 108.800 -0.035 0.000 2.459 43 G HA2 -0.237 3.721 3.960 -0.003 0.000 0.217 43 G HA3 -0.237 3.721 3.960 -0.003 0.000 0.217 43 G C 1.637 176.527 174.900 -0.017 0.000 1.183 43 G CA 0.701 45.788 45.100 -0.021 0.000 0.776 43 G HN 0.179 8.469 8.290 0.000 0.000 0.552 44 L N 0.268 121.479 121.223 -0.019 0.000 2.156 44 L HA 0.130 4.468 4.340 -0.003 0.000 0.208 44 L C 1.983 178.847 176.870 -0.009 0.000 1.095 44 L CA 0.399 55.233 54.840 -0.011 0.000 0.770 44 L CB -0.312 41.740 42.059 -0.011 0.000 0.914 44 L HN 0.196 8.426 8.230 0.000 0.000 0.439 49 D N -1.241 119.158 120.400 -0.003 0.000 2.548 49 D HA 0.212 4.851 4.640 -0.003 0.000 0.223 49 D C 0.535 176.834 176.300 -0.002 0.000 1.346 49 D CA 0.983 54.982 54.000 -0.002 0.000 1.318 49 D CB 0.733 41.533 40.800 -0.000 0.000 1.669 49 D HN 0.310 8.680 8.370 0.000 0.000 0.416 50 G N 0.198 109.000 108.800 0.004 0.000 2.492 50 G HA2 0.536 4.494 3.960 -0.003 0.000 0.283 50 G HA3 0.536 4.494 3.960 -0.003 0.000 0.283 50 G C -0.046 174.868 174.900 0.023 0.000 1.274 50 G CA 0.113 45.219 45.100 0.009 0.000 1.215 50 G HN 0.978 9.268 8.290 0.000 0.000 0.598 51 A N 0.193 123.034 122.820 0.035 0.000 1.920 51 A HA 0.496 4.815 4.320 -0.003 0.000 0.204 51 A C 1.821 179.439 177.584 0.057 0.000 1.850 51 A CA 1.455 53.519 52.037 0.045 0.000 1.593 51 A CB -0.713 18.306 19.000 0.032 0.000 1.470 51 A HN 2.098 10.248 8.150 0.000 0.000 0.377 52 V N -0.821 119.121 119.914 0.046 0.000 3.506 52 V HA 0.155 4.273 4.120 -0.003 0.000 0.263 52 V C 1.200 177.330 176.094 0.059 0.000 1.203 52 V CA 2.065 64.397 62.300 0.053 0.000 1.133 52 V CB -0.175 31.670 31.823 0.036 0.000 0.802 52 V HN 0.311 8.501 8.190 0.000 0.000 0.459 53 D N 0.927 121.356 120.400 0.048 0.000 2.149 53 D HA -0.064 4.575 4.640 -0.003 0.000 0.201 53 D C 2.101 178.443 176.300 0.069 0.000 0.972 53 D CA 1.112 55.138 54.000 0.044 0.000 0.835 53 D CB -0.080 40.730 40.800 0.017 0.000 0.966 53 D HN 0.394 8.764 8.370 0.000 0.000 0.476 54 K N 0.335 120.789 120.400 0.089 0.000 2.002 54 K HA -0.113 4.206 4.320 -0.003 0.000 0.209 54 K C 2.215 178.983 176.600 0.280 0.000 1.048 54 K CA 1.261 57.645 56.287 0.162 0.000 0.930 54 K CB -1.021 31.591 32.500 0.187 0.000 0.714 54 K HN 0.201 8.451 8.250 0.000 0.000 0.438 55 T N 1.325 116.010 114.554 0.218 0.000 2.788 55 T HA -0.131 4.218 4.350 -0.003 0.000 0.268 55 T C 1.969 176.771 174.700 0.171 0.000 1.044 55 T CA 0.778 63.006 62.100 0.213 0.000 1.139 55 T CB -0.063 68.886 68.868 0.136 0.000 0.867 55 T HN -0.057 8.183 8.240 0.000 0.000 0.454 56 L N 1.093 122.388 121.223 0.119 0.000 2.012 56 L HA -0.012 4.326 4.340 -0.003 0.000 0.210 56 L C 2.408 179.314 176.870 0.059 0.000 1.073 56 L CA 2.337 57.224 54.840 0.079 0.000 0.748 56 L CB -1.473 40.622 42.059 0.061 0.000 0.891 56 L HN 0.586 8.816 8.230 0.000 0.000 0.431 57 H N -1.888 117.149 119.070 -0.055 0.000 2.352 57 H HA -0.226 4.328 4.556 -0.003 0.000 0.299 57 H C 2.014 177.217 175.328 -0.209 0.000 1.097 57 H CA 2.115 58.054 56.048 -0.182 0.000 1.311 57 H CB -0.237 29.328 29.762 -0.328 0.000 1.377 57 H HN 0.422 8.702 8.280 0.000 0.000 0.504 58 Y N -1.191 119.040 120.300 -0.114 0.000 2.420 58 Y HA -0.028 4.520 4.550 -0.003 0.000 0.292 58 Y C 2.088 177.915 175.900 -0.123 0.000 1.119 58 Y CA 0.038 58.037 58.100 -0.168 0.000 1.229 58 Y CB 0.098 38.527 38.460 -0.051 0.000 1.026 58 Y HN 0.203 8.483 8.280 0.000 0.000 0.554 59 L N 0.182 121.445 121.223 0.066 0.000 2.056 59 L HA -0.167 4.172 4.340 -0.003 0.000 0.207 59 L C 2.257 179.115 176.870 -0.020 0.000 1.078 59 L CA 1.604 56.460 54.840 0.028 0.000 0.749 59 L CB -0.795 41.289 42.059 0.041 0.000 0.901 59 L HN 0.106 8.336 8.230 0.000 0.000 0.433 60 R N -0.824 119.641 120.500 -0.059 0.000 2.075 60 R HA -0.173 4.165 4.340 -0.003 0.000 0.232 60 R C 2.173 178.408 176.300 -0.108 0.000 1.126 60 R CA 1.317 57.370 56.100 -0.077 0.000 0.963 60 R CB -0.290 29.962 30.300 -0.081 0.000 0.858 60 R HN 0.418 8.688 8.270 0.000 0.000 0.435 61 E N 0.375 120.459 120.200 -0.193 0.000 2.153 61 E HA -0.142 4.207 4.350 -0.003 0.000 0.194 61 E C 1.091 177.643 176.600 -0.080 0.000 0.988 61 E CA 1.092 57.382 56.400 -0.184 0.000 0.811 61 E CB 0.085 29.600 29.700 -0.308 0.000 0.746 61 E HN 0.356 8.716 8.360 0.000 0.000 0.466 62 A N -0.465 122.326 122.820 -0.049 0.000 2.337 62 A HA 0.335 4.653 4.320 -0.003 0.000 0.227 62 A C 1.447 179.019 177.584 -0.020 0.000 1.259 62 A CA 0.737 52.761 52.037 -0.022 0.000 0.870 62 A CB -0.074 18.923 19.000 -0.006 0.000 0.927 62 A HN 0.390 8.540 8.150 0.000 0.000 0.497 63 G N -0.822 107.962 108.800 -0.027 0.000 2.179 63 G HA2 -0.235 3.723 3.960 -0.003 0.000 0.260 63 G HA3 -0.235 3.723 3.960 -0.003 0.000 0.260 63 G C 0.034 174.925 174.900 -0.014 0.000 0.977 63 G CA 0.317 45.405 45.100 -0.020 0.000 0.641 63 G HN 0.428 8.718 8.290 0.000 0.000 0.533 64 I N 1.858 122.422 120.570 -0.010 0.000 2.379 64 I HA 0.351 4.519 4.170 -0.003 0.000 0.290 64 I C 0.728 176.843 176.117 -0.004 0.000 1.063 64 I CA -0.112 61.186 61.300 -0.003 0.000 1.351 64 I CB 0.942 38.946 38.000 0.007 0.000 1.410 64 I HN 0.183 8.393 8.210 0.000 0.000 0.505 65 E N 4.346 124.542 120.200 -0.006 0.000 2.349 65 E HA 0.489 4.837 4.350 -0.003 0.000 0.265 65 E C -0.892 175.709 176.600 0.002 0.000 1.064 65 E CA -0.381 56.016 56.400 -0.005 0.000 0.886 65 E CB 1.872 31.566 29.700 -0.010 0.000 1.036 65 E HN 0.372 8.732 8.360 0.000 0.000 0.413 66 V N 1.283 121.202 119.914 0.009 0.000 2.789 66 V HA 0.759 4.878 4.120 -0.003 0.000 0.311 66 V C -1.514 174.595 176.094 0.026 0.000 1.073 66 V CA -0.466 61.848 62.300 0.022 0.000 0.921 66 V CB 1.742 33.586 31.823 0.034 0.000 1.009 66 V HN 0.733 8.923 8.190 0.000 0.000 0.426 67 A N 6.328 129.170 122.820 0.037 0.000 2.331 67 A HA 0.873 5.191 4.320 -0.003 0.000 0.320 67 A C -0.868 176.769 177.584 0.090 0.000 1.138 67 A CA -0.541 51.527 52.037 0.052 0.000 0.790 67 A CB 1.289 20.312 19.000 0.037 0.000 1.206 67 A HN 1.604 9.754 8.150 0.000 0.000 0.470 68 I N 0.607 121.236 120.570 0.098 0.000 2.441 68 I HA 0.819 4.988 4.170 -0.003 0.000 0.295 68 I C -1.331 174.897 176.117 0.186 0.000 0.994 68 I CA -0.723 60.649 61.300 0.120 0.000 1.144 68 I CB 1.297 39.338 38.000 0.069 0.000 1.314 68 I HN 0.501 8.711 8.210 0.000 0.000 0.445 69 F N 7.665 127.642 119.950 0.045 0.000 2.467 69 F HA 0.523 5.048 4.527 -0.003 0.000 0.336 69 F C -0.212 175.606 175.800 0.030 0.000 1.123 69 F CA -0.699 57.326 58.000 0.041 0.000 0.964 69 F CB 1.422 40.455 39.000 0.054 0.000 1.136 69 F HN 0.710 9.010 8.300 0.000 0.000 0.447 70 D N 2.031 121.999 120.400 -0.720 0.000 2.500 70 D HA 0.147 4.785 4.640 -0.003 0.000 0.217 70 D C 1.217 177.098 176.300 -0.698 0.000 1.159 70 D CA 0.116 53.792 54.000 -0.541 0.000 0.828 70 D CB -0.064 40.587 40.800 -0.249 0.000 1.039 70 D HN 0.644 9.014 8.370 0.000 0.000 0.512 71 G N 0.806 108.805 108.800 -1.335 0.000 3.452 71 G HA2 0.329 4.287 3.960 -0.003 0.000 0.258 71 G HA3 0.329 4.287 3.960 -0.003 0.000 0.258 71 G C -0.005 174.699 174.900 -0.326 0.000 1.305 71 G CA -0.288 44.399 45.100 -0.688 0.000 1.514 71 G HN 0.146 8.436 8.290 0.000 0.000 0.593 72 V N 0.749 120.503 119.914 -0.266 0.000 2.383 72 V HA 0.233 4.351 4.120 -0.003 0.000 0.275 72 V C 0.179 176.252 176.094 -0.035 0.000 1.036 72 V CA -0.841 61.439 62.300 -0.033 0.000 0.889 72 V CB 1.340 33.163 31.823 0.000 0.000 0.985 72 V HN 0.429 8.619 8.190 0.000 0.000 0.459 73 E N 6.341 126.544 120.200 0.005 0.000 2.319 73 E HA 0.311 4.659 4.350 -0.003 0.000 0.268 73 E C -2.422 174.179 176.600 0.001 0.000 1.050 73 E CA -1.933 54.467 56.400 0.000 0.000 0.878 73 E CB 0.881 30.589 29.700 0.014 0.000 1.066 73 E HN 0.453 8.813 8.360 0.000 0.000 0.406 74 P HA -0.047 4.373 4.420 0.000 0.000 0.266 74 P C -1.105 176.202 177.300 0.011 0.000 1.215 74 P CA 0.268 63.374 63.100 0.009 0.000 0.763 74 P CB -0.062 31.647 31.700 0.016 0.000 0.806 75 N N 1.114 119.817 118.700 0.006 0.000 2.469 75 N HA -0.105 4.633 4.740 -0.003 0.000 0.283 75 N C -2.620 172.884 175.510 -0.009 0.000 1.326 75 N CA -0.442 52.604 53.050 -0.006 0.000 0.646 75 N CB -1.349 37.139 38.487 0.002 0.000 0.894 75 N HN 0.357 8.737 8.380 0.000 0.000 0.533 76 P HA 0.039 4.459 4.420 0.000 0.000 0.267 76 P C -0.240 177.054 177.300 -0.010 0.000 1.209 76 P CA 0.246 63.347 63.100 0.001 0.000 0.763 76 P CB 0.666 32.366 31.700 -0.001 0.000 0.816 77 K N 2.875 123.290 120.400 0.025 0.000 2.107 77 K HA 0.100 4.418 4.320 -0.003 0.000 0.251 77 K C 1.131 177.767 176.600 0.059 0.000 1.012 77 K CA -0.270 56.038 56.287 0.034 0.000 0.920 77 K CB 0.431 32.961 32.500 0.049 0.000 1.033 77 K HN 0.434 8.684 8.250 0.000 0.000 0.478 78 D N -0.256 120.201 120.400 0.095 0.000 2.178 78 D HA -0.166 4.472 4.640 -0.003 0.000 0.202 78 D C 1.313 177.675 176.300 0.104 0.000 0.974 78 D CA 1.770 55.860 54.000 0.149 0.000 0.841 78 D CB -0.737 40.208 40.800 0.241 0.000 0.953 78 D HN 0.641 9.011 8.370 0.000 0.000 0.478 79 T N -1.644 112.962 114.554 0.086 0.000 2.833 79 T HA -0.159 4.190 4.350 -0.003 0.000 0.269 79 T C 1.679 176.430 174.700 0.086 0.000 1.054 79 T CA 1.316 63.461 62.100 0.074 0.000 1.135 79 T CB -0.922 67.987 68.868 0.068 0.000 0.869 79 T HN 0.276 8.516 8.240 0.000 0.000 0.466 80 N N 1.017 119.784 118.700 0.112 0.000 2.149 80 N HA -0.079 4.659 4.740 -0.003 0.000 0.188 80 N C 1.800 177.352 175.510 0.069 0.000 1.019 80 N CA 1.199 54.361 53.050 0.186 0.000 0.857 80 N CB -0.356 38.252 38.487 0.202 0.000 0.997 80 N HN 0.253 8.633 8.380 0.000 0.000 0.426 81 V N 1.205 121.133 119.914 0.024 0.000 2.307 81 V HA -0.178 3.940 4.120 -0.003 0.000 0.245 81 V C 2.294 178.329 176.094 -0.097 0.000 1.045 81 V CA 1.450 63.719 62.300 -0.051 0.000 1.024 81 V CB -0.525 31.303 31.823 0.008 0.000 0.651 81 V HN 0.246 8.436 8.190 0.000 0.000 0.449 82 R N 0.148 120.629 120.500 -0.032 0.000 2.094 82 R HA -0.195 4.143 4.340 -0.003 0.000 0.239 82 R C 2.154 178.411 176.300 -0.072 0.000 1.137 82 R CA 2.087 58.169 56.100 -0.029 0.000 0.943 82 R CB -0.473 29.835 30.300 0.014 0.000 0.850 82 R HN 0.563 8.833 8.270 0.000 0.000 0.433 83 D N -1.009 119.347 120.400 -0.072 0.000 2.178 83 D HA -0.103 4.535 4.640 -0.003 0.000 0.201 83 D C 1.745 177.798 176.300 -0.411 0.000 0.980 83 D CA 1.451 55.401 54.000 -0.083 0.000 0.842 83 D CB -0.381 40.501 40.800 0.136 0.000 0.948 83 D HN 0.432 8.802 8.370 0.000 0.000 0.472 84 G N 0.799 109.113 108.800 -0.810 0.000 2.403 84 G HA2 -0.166 3.792 3.960 -0.003 0.000 0.216 84 G HA3 -0.166 3.792 3.960 -0.003 0.000 0.216 84 G C 1.589 176.257 174.900 -0.386 0.000 1.154 84 G CA 0.163 44.595 45.100 -1.113 0.000 0.784 84 G HN 0.210 8.500 8.290 0.000 0.000 0.538 85 L N 1.396 122.484 121.223 -0.225 0.000 2.093 85 L HA 0.237 4.576 4.340 -0.003 0.000 0.208 85 L C 2.982 179.873 176.870 0.035 0.000 1.085 85 L CA 1.845 56.651 54.840 -0.057 0.000 0.755 85 L CB -0.617 41.403 42.059 -0.066 0.000 0.904 85 L HN 0.218 8.448 8.230 0.000 0.000 0.435 86 A N -1.180 121.624 122.820 -0.026 0.000 1.902 86 A HA -0.146 4.172 4.320 -0.003 0.000 0.217 86 A C 2.223 179.821 177.584 0.023 0.000 1.181 86 A CA 2.036 54.078 52.037 0.008 0.000 0.623 86 A CB -0.988 18.013 19.000 0.001 0.000 0.818 86 A HN 0.292 8.442 8.150 0.000 0.000 0.443 87 V N -1.544 118.373 119.914 0.005 0.000 2.453 87 V HA -0.167 3.952 4.120 -0.003 0.000 0.247 87 V C 2.221 178.351 176.094 0.061 0.000 1.048 87 V CA 1.710 64.034 62.300 0.040 0.000 1.049 87 V CB -0.917 30.948 31.823 0.071 0.000 0.672 87 V HN 0.618 8.808 8.190 0.000 0.000 0.457 88 F N 1.099 121.008 119.950 -0.068 0.000 2.171 88 F HA -0.154 4.371 4.527 -0.003 0.000 0.300 88 F C 2.457 178.241 175.800 -0.028 0.000 1.090 88 F CA 1.734 59.707 58.000 -0.045 0.000 1.293 88 F CB -0.049 38.913 39.000 -0.063 0.000 1.013 88 F HN -0.025 8.275 8.300 0.000 0.000 0.486 89 R N -0.589 119.948 120.500 0.063 0.000 2.075 89 R HA 0.029 4.367 4.340 -0.003 0.000 0.220 89 R C 2.444 178.712 176.300 -0.054 0.000 1.118 89 R CA 0.803 56.899 56.100 -0.006 0.000 0.986 89 R CB -0.426 29.919 30.300 0.075 0.000 0.884 89 R HN 0.147 8.417 8.270 0.000 0.000 0.439 90 R N 1.093 121.580 120.500 -0.021 0.000 2.091 90 R HA -0.126 4.213 4.340 -0.003 0.000 0.238 90 R C 1.143 177.418 176.300 -0.043 0.000 1.136 90 R CA 1.444 57.531 56.100 -0.021 0.000 0.959 90 R CB 0.137 30.438 30.300 0.001 0.000 0.856 90 R HN 0.146 8.416 8.270 0.000 0.000 0.437 91 E N 0.547 120.710 120.200 -0.062 0.000 2.489 91 E HA -0.054 4.294 4.350 -0.003 0.000 0.193 91 E C -0.271 176.253 176.600 -0.127 0.000 1.057 91 E CA 0.153 56.510 56.400 -0.072 0.000 0.866 91 E CB 0.301 29.973 29.700 -0.047 0.000 0.916 91 E HN 0.333 8.693 8.360 0.000 0.000 0.500 92 Q N -0.198 119.490 119.800 -0.187 0.000 2.455 92 Q HA -0.164 4.174 4.340 -0.003 0.000 0.343 92 Q C -0.989 174.823 176.000 -0.314 0.000 1.458 92 Q CA 0.098 55.763 55.803 -0.230 0.000 0.923 92 Q CB -1.974 26.686 28.738 -0.131 0.000 1.149 92 Q HN 0.253 8.523 8.270 0.000 0.000 0.357 93 C N 0.478 119.418 119.300 -0.600 0.000 2.401 93 C HA 0.237 4.696 4.460 -0.003 0.000 0.365 93 C C 1.542 176.231 174.990 -0.503 0.000 1.250 93 C CA -0.565 58.106 59.018 -0.578 0.000 2.131 93 C CB 1.214 28.586 27.740 -0.614 0.000 2.445 93 C HN 0.638 8.868 8.230 0.000 0.000 0.550 94 D N 0.249 120.552 120.400 -0.162 0.000 2.379 94 D HA 0.286 4.924 4.640 -0.003 0.000 0.218 94 D C 0.144 176.501 176.300 0.095 0.000 1.006 94 D CA 0.634 54.618 54.000 -0.027 0.000 0.893 94 D CB 0.470 41.258 40.800 -0.021 0.000 1.019 94 D HN 0.622 8.992 8.370 0.000 0.000 0.503 95 I N 0.089 120.732 120.570 0.122 0.000 2.994 95 I HA 0.351 4.520 4.170 -0.003 0.000 0.306 95 I C -1.506 174.730 176.117 0.199 0.000 1.195 95 I CA -0.919 60.469 61.300 0.147 0.000 1.001 95 I CB 2.634 40.684 38.000 0.083 0.000 1.244 95 I HN -0.323 7.887 8.210 0.000 0.000 0.437 96 I N 6.125 126.791 120.570 0.160 0.000 2.418 96 I HA 0.376 4.545 4.170 -0.003 0.000 0.287 96 I C -1.044 175.140 176.117 0.111 0.000 1.008 96 I CA -0.774 60.615 61.300 0.148 0.000 1.104 96 I CB 1.802 39.861 38.000 0.099 0.000 1.264 96 I HN 0.114 8.324 8.210 0.000 0.000 0.438 97 V N 4.751 124.735 119.914 0.117 0.000 2.334 97 V HA 0.365 4.483 4.120 -0.003 0.000 0.281 97 V C 0.315 176.483 176.094 0.124 0.000 1.016 97 V CA -0.546 61.820 62.300 0.110 0.000 0.832 97 V CB 1.511 33.392 31.823 0.096 0.000 0.999 97 V HN 0.823 9.013 8.190 0.000 0.000 0.439 98 T N 2.229 116.871 114.554 0.146 0.000 2.795 98 T HA 0.707 5.055 4.350 -0.003 0.000 0.282 98 T C -0.559 174.235 174.700 0.157 0.000 0.980 98 T CA -0.719 61.477 62.100 0.161 0.000 1.012 98 T CB 1.692 70.715 68.868 0.257 0.000 0.936 98 T HN 0.698 8.938 8.240 0.000 0.000 0.457 99 V N 2.300 122.257 119.914 0.072 0.000 2.525 99 V HA 0.882 5.000 4.120 -0.003 0.000 0.299 99 V C -0.006 176.061 176.094 -0.045 0.000 1.034 99 V CA 0.826 63.158 62.300 0.055 0.000 0.863 99 V CB 0.849 32.715 31.823 0.071 0.000 0.999 99 V HN 1.660 9.850 8.190 0.000 0.000 0.423 100 G N 3.987 112.734 108.800 -0.089 0.000 2.339 100 G HA2 0.476 4.434 3.960 -0.003 0.000 0.275 100 G HA3 0.476 4.434 3.960 -0.003 0.000 0.275 100 G C 0.064 174.856 174.900 -0.181 0.000 1.323 100 G CA 0.089 45.110 45.100 -0.131 0.000 0.927 100 G HN 1.497 9.787 8.290 0.000 0.000 0.486 101 G N -0.934 107.786 108.800 -0.134 0.000 2.829 101 G HA2 0.546 4.504 3.960 -0.003 0.000 0.173 101 G HA3 0.546 4.504 3.960 -0.003 0.000 0.173 101 G C 1.579 176.438 174.900 -0.069 0.000 1.476 101 G CA 0.916 45.997 45.100 -0.032 0.000 1.072 101 G HN 1.757 10.047 8.290 0.000 0.000 0.577 102 G N -0.160 108.672 108.800 0.054 0.000 2.459 102 G HA2 -0.171 3.787 3.960 -0.003 0.000 0.217 102 G HA3 -0.171 3.787 3.960 -0.003 0.000 0.217 102 G C 2.112 177.028 174.900 0.027 0.000 1.183 102 G CA 1.771 46.929 45.100 0.097 0.000 0.776 102 G HN 0.496 8.786 8.290 0.000 0.000 0.552 103 S N 1.816 117.505 115.700 -0.018 0.000 2.351 103 S HA -0.093 4.375 4.470 -0.003 0.000 0.220 103 S C 0.218 174.799 174.600 -0.032 0.000 1.035 103 S CA 1.797 59.985 58.200 -0.019 0.000 1.031 103 S CB -0.997 62.193 63.200 -0.017 0.000 0.928 103 S HN 0.297 8.607 8.310 0.000 0.000 0.433 104 P HA -0.080 4.340 4.420 0.000 0.000 0.221 104 P C 0.627 177.900 177.300 -0.044 0.000 1.145 104 P CA 1.220 64.266 63.100 -0.090 0.000 0.795 104 P CB -0.104 31.493 31.700 -0.172 0.000 0.775 105 H N -1.383 117.715 119.070 0.046 0.000 2.372 105 H HA -0.047 4.507 4.556 -0.003 0.000 0.301 105 H C 1.701 177.041 175.328 0.020 0.000 1.065 105 H CA 0.776 56.846 56.048 0.037 0.000 1.364 105 H CB -0.231 29.556 29.762 0.042 0.000 1.406 105 H HN 0.085 8.365 8.280 0.000 0.000 0.521 106 D N 0.279 120.756 120.400 0.129 0.000 2.117 106 D HA -0.179 4.459 4.640 -0.003 0.000 0.197 106 D C 2.257 178.577 176.300 0.033 0.000 0.987 106 D CA 0.913 54.947 54.000 0.055 0.000 0.829 106 D CB -0.570 40.239 40.800 0.016 0.000 0.961 106 D HN 0.323 8.693 8.370 0.000 0.000 0.460 107 C N 0.980 120.307 119.300 0.046 0.000 2.446 107 C HA -0.009 4.450 4.460 -0.003 0.000 0.277 107 C C 2.890 177.904 174.990 0.041 0.000 1.275 107 C CA 1.380 60.431 59.018 0.055 0.000 1.727 107 C CB -1.141 26.665 27.740 0.110 0.000 2.010 107 C HN 0.425 8.655 8.230 0.000 0.000 0.486 108 G N 0.353 109.191 108.800 0.063 0.000 2.459 108 G HA2 -0.247 3.711 3.960 -0.003 0.000 0.217 108 G HA3 -0.247 3.711 3.960 -0.003 0.000 0.217 108 G C 1.741 176.632 174.900 -0.015 0.000 1.183 108 G CA 1.058 46.184 45.100 0.043 0.000 0.776 108 G HN 0.672 8.962 8.290 0.000 0.000 0.552 109 K N 0.208 120.607 120.400 -0.003 0.000 2.026 109 K HA -0.038 4.281 4.320 -0.003 0.000 0.208 109 K C 2.774 179.331 176.600 -0.072 0.000 1.048 109 K CA 0.947 57.208 56.287 -0.044 0.000 0.929 109 K CB -0.528 31.954 32.500 -0.031 0.000 0.713 109 K HN 0.272 8.522 8.250 0.000 0.000 0.439 110 G N 1.741 110.514 108.800 -0.044 0.000 2.476 110 G HA2 -0.269 3.689 3.960 -0.003 0.000 0.218 110 G HA3 -0.269 3.689 3.960 -0.003 0.000 0.218 110 G C 1.530 176.380 174.900 -0.083 0.000 1.164 110 G CA 1.056 46.134 45.100 -0.037 0.000 0.768 110 G HN 0.154 8.444 8.290 0.000 0.000 0.560 111 I N 1.284 121.783 120.570 -0.119 0.000 2.127 111 I HA -0.133 4.035 4.170 -0.003 0.000 0.241 111 I C 3.152 179.085 176.117 -0.307 0.000 1.075 111 I CA 1.146 62.314 61.300 -0.219 0.000 1.334 111 I CB -0.667 37.183 38.000 -0.250 0.000 1.040 111 I HN 0.253 8.463 8.210 0.000 0.000 0.405 112 G N 1.251 109.891 108.800 -0.267 0.000 2.513 112 G HA2 -0.263 3.696 3.960 -0.003 0.000 0.219 112 G HA3 -0.263 3.696 3.960 -0.003 0.000 0.219 112 G C 1.656 176.443 174.900 -0.188 0.000 1.160 112 G CA 1.120 46.066 45.100 -0.255 0.000 0.767 112 G HN 0.350 8.640 8.290 0.000 0.000 0.571 113 I N 1.333 121.805 120.570 -0.164 0.000 2.113 113 I HA -0.153 4.015 4.170 -0.003 0.000 0.238 113 I C 3.293 179.350 176.117 -0.100 0.000 1.070 113 I CA 1.135 62.330 61.300 -0.174 0.000 1.332 113 I CB -0.376 37.467 38.000 -0.261 0.000 1.044 113 I HN 0.230 8.440 8.210 0.000 0.000 0.402 114 A N 0.591 123.347 122.820 -0.105 0.000 2.076 114 A HA -0.105 4.213 4.320 -0.003 0.000 0.220 114 A C 2.358 179.906 177.584 -0.060 0.000 1.160 114 A CA 1.768 53.773 52.037 -0.054 0.000 0.653 114 A CB -0.698 18.278 19.000 -0.040 0.000 0.801 114 A HN 0.483 8.633 8.150 0.000 0.000 0.455 115 A N -0.952 121.784 122.820 -0.139 0.000 2.169 115 A HA 0.168 4.486 4.320 -0.003 0.000 0.212 115 A C 1.896 179.444 177.584 -0.060 0.000 1.153 115 A CA 1.763 53.720 52.037 -0.133 0.000 0.756 115 A CB -0.408 18.351 19.000 -0.400 0.000 0.813 115 A HN 0.708 8.858 8.150 0.000 0.000 0.471 116 T N -4.449 110.070 114.554 -0.058 0.000 3.016 116 T HA 0.323 4.672 4.350 -0.003 0.000 0.271 116 T C 0.004 174.493 174.700 -0.350 0.000 0.968 116 T CA -0.110 61.903 62.100 -0.145 0.000 0.891 116 T CB -0.133 68.643 68.868 -0.153 0.000 1.149 116 T HN 0.374 8.614 8.240 0.000 0.000 0.524 117 H N 0.945 119.927 119.070 -0.147 0.000 2.637 117 H HA 0.671 5.225 4.556 -0.003 0.000 0.363 117 H C -0.633 174.699 175.328 0.007 0.000 1.131 117 H CA -0.866 55.092 56.048 -0.151 0.000 1.183 117 H CB 1.431 30.876 29.762 -0.528 0.000 1.637 117 H HN 0.026 8.306 8.280 0.000 0.000 0.531 118 E N 1.248 121.572 120.200 0.207 0.000 2.568 118 E HA 0.054 4.402 4.350 -0.003 0.000 0.262 118 E C 0.558 177.273 176.600 0.192 0.000 0.961 118 E CA 0.344 56.844 56.400 0.167 0.000 0.945 118 E CB 0.346 30.128 29.700 0.138 0.000 0.924 118 E HN 0.839 9.199 8.360 0.000 0.000 0.467 119 G N 4.336 113.203 108.800 0.112 0.000 2.451 119 G HA2 0.024 3.982 3.960 -0.003 0.000 0.287 119 G HA3 0.024 3.982 3.960 -0.003 0.000 0.287 119 G C -0.457 174.499 174.900 0.094 0.000 0.617 119 G CA 0.986 46.142 45.100 0.092 0.000 2.108 119 G HN 0.616 8.906 8.290 0.000 0.000 0.531 120 D N -0.037 120.449 120.400 0.142 0.000 2.738 120 D HA 0.167 4.805 4.640 -0.003 0.000 0.229 120 D C 0.910 177.315 176.300 0.175 0.000 1.200 120 D CA -0.766 53.300 54.000 0.110 0.000 0.746 120 D CB 0.486 41.312 40.800 0.043 0.000 1.597 120 D HN -0.001 8.370 8.370 0.000 0.000 0.471 121 L N 1.845 123.149 121.223 0.136 0.000 2.116 121 L HA 0.239 4.577 4.340 -0.003 0.000 0.200 121 L C 2.226 179.116 176.870 0.033 0.000 1.084 121 L CA 0.661 55.605 54.840 0.172 0.000 0.766 121 L CB -1.369 40.820 42.059 0.217 0.000 0.930 121 L HN 0.595 8.825 8.230 0.000 0.000 0.453 122 Y N 1.578 121.660 120.300 -0.364 0.000 2.315 122 Y HA -0.282 4.266 4.550 -0.003 0.000 0.288 122 Y C 2.799 178.383 175.900 -0.526 0.000 1.154 122 Y CA 1.874 59.430 58.100 -0.906 0.000 1.229 122 Y CB -0.454 37.572 38.460 -0.722 0.000 0.980 122 Y HN 0.513 8.793 8.280 0.000 0.000 0.540 123 Q N -1.152 118.396 119.800 -0.421 0.000 2.291 123 Q HA -0.237 4.101 4.340 -0.003 0.000 0.206 123 Q C 0.664 176.331 176.000 -0.555 0.000 0.976 123 Q CA 1.653 57.147 55.803 -0.515 0.000 0.875 123 Q CB -0.568 27.908 28.738 -0.437 0.000 0.927 123 Q HN 0.653 8.923 8.270 0.000 0.000 0.450 124 Y N 0.368 120.510 120.300 -0.264 0.000 2.461 124 Y HA 0.395 4.944 4.550 -0.003 0.000 0.277 124 Y C 0.895 176.706 175.900 -0.148 0.000 1.182 124 Y CA -0.116 57.877 58.100 -0.178 0.000 1.276 124 Y CB 0.121 38.490 38.460 -0.151 0.000 1.087 124 Y HN 0.173 8.453 8.280 0.000 0.000 0.519 125 A N 0.504 123.247 122.820 -0.128 0.000 2.483 125 A HA 0.524 4.843 4.320 -0.003 0.000 0.238 125 A C 1.093 178.663 177.584 -0.023 0.000 1.070 125 A CA 0.968 52.987 52.037 -0.030 0.000 0.770 125 A CB -0.548 18.373 19.000 -0.132 0.000 1.008 125 A HN 0.628 8.778 8.150 0.000 0.000 0.497 126 G N 0.349 109.177 108.800 0.045 0.000 2.352 126 G HA2 0.236 4.195 3.960 -0.003 0.000 0.324 126 G HA3 0.236 4.195 3.960 -0.003 0.000 0.324 126 G C 0.038 174.971 174.900 0.055 0.000 1.249 126 G CA 0.043 45.166 45.100 0.037 0.000 1.053 126 G HN 1.691 9.981 8.290 0.000 0.000 0.492 127 I N -1.396 119.200 120.570 0.044 0.000 3.378 127 I HA 0.636 4.804 4.170 -0.003 0.000 0.133 127 I C 1.142 177.290 176.117 0.051 0.000 1.403 127 I CA 0.316 61.647 61.300 0.051 0.000 0.943 127 I CB -0.341 37.683 38.000 0.040 0.000 1.661 127 I HN 0.427 8.637 8.210 0.000 0.000 0.907 128 E N 0.729 120.965 120.200 0.060 0.000 1.858 128 E HA 0.072 4.420 4.350 -0.003 0.000 0.278 128 E C 0.412 177.056 176.600 0.072 0.000 1.172 128 E CA 0.453 56.901 56.400 0.080 0.000 1.127 128 E CB -0.543 29.230 29.700 0.121 0.000 1.084 128 E HN 0.652 9.012 8.360 0.000 0.000 0.455 129 T N -0.294 114.294 114.554 0.057 0.000 3.069 129 T HA 0.183 4.531 4.350 -0.003 0.000 0.252 129 T C 0.363 175.127 174.700 0.106 0.000 1.053 129 T CA -0.397 61.762 62.100 0.098 0.000 0.964 129 T CB 0.213 69.156 68.868 0.125 0.000 1.005 129 T HN 0.036 8.276 8.240 0.000 0.000 0.532 130 L N 2.516 123.727 121.223 -0.019 0.000 2.289 130 L HA 0.500 4.838 4.340 -0.003 0.000 0.285 130 L C 1.179 178.100 176.870 0.085 0.000 1.049 130 L CA 0.059 54.825 54.840 -0.123 0.000 0.804 130 L CB 1.516 43.363 42.059 -0.353 0.000 1.195 130 L HN 0.159 8.389 8.230 0.000 0.000 0.428 131 T N 0.422 115.137 114.554 0.269 0.000 3.015 131 T HA 0.253 4.601 4.350 -0.003 0.000 0.250 131 T C 0.495 175.237 174.700 0.071 0.000 1.057 131 T CA 0.102 62.294 62.100 0.154 0.000 1.066 131 T CB 0.106 69.046 68.868 0.120 0.000 0.959 131 T HN 0.403 8.643 8.240 0.000 0.000 0.488 132 N N 1.836 120.559 118.700 0.038 0.000 2.272 132 N HA 0.455 5.193 4.740 -0.003 0.000 0.305 132 N C -3.190 172.258 175.510 -0.103 0.000 1.103 132 N CA -2.105 50.850 53.050 -0.158 0.000 0.791 132 N CB 1.513 39.726 38.487 -0.458 0.000 1.356 132 N HN -0.027 8.353 8.380 0.000 0.000 0.486 133 P HA 0.210 4.630 4.420 0.000 0.000 0.276 133 P C 0.035 177.276 177.300 -0.098 0.000 1.230 133 P CA -0.198 62.823 63.100 -0.131 0.000 0.776 133 P CB 0.702 32.355 31.700 -0.078 0.000 0.888 134 L N 4.135 125.292 121.223 -0.109 0.000 2.476 134 L HA 0.334 4.672 4.340 -0.003 0.000 0.255 134 L C -1.809 175.027 176.870 -0.057 0.000 1.218 134 L CA -2.033 52.755 54.840 -0.087 0.000 0.819 134 L CB -0.680 41.310 42.059 -0.116 0.000 1.119 134 L HN 0.212 8.442 8.230 0.000 0.000 0.485 135 P HA 0.106 4.526 4.420 0.000 0.000 0.269 135 P C -2.461 174.849 177.300 0.017 0.000 1.215 135 P CA -0.976 62.142 63.100 0.030 0.000 0.780 135 P CB -0.392 31.374 31.700 0.110 0.000 0.898 136 P HA 0.029 4.449 4.420 0.000 0.000 0.264 136 P C -0.468 176.853 177.300 0.036 0.000 1.183 136 P CA 0.974 64.092 63.100 0.030 0.000 0.763 136 P CB 0.287 32.012 31.700 0.043 0.000 0.807 137 I N 2.891 123.473 120.570 0.021 0.000 2.418 137 I HA 0.206 4.374 4.170 -0.003 0.000 0.287 137 I C -0.178 175.963 176.117 0.040 0.000 1.008 137 I CA -1.066 60.252 61.300 0.030 0.000 1.104 137 I CB 2.101 40.104 38.000 0.006 0.000 1.264 137 I HN -0.028 8.182 8.210 0.000 0.000 0.438 138 V N 6.016 125.967 119.914 0.060 0.000 2.311 138 V HA 0.496 4.614 4.120 -0.003 0.000 0.275 138 V C 0.466 176.610 176.094 0.084 0.000 1.022 138 V CA -0.511 61.830 62.300 0.068 0.000 0.830 138 V CB 1.200 33.064 31.823 0.069 0.000 1.012 138 V HN 0.801 8.991 8.190 0.000 0.000 0.452 139 A N 4.891 127.749 122.820 0.064 0.000 2.253 139 A HA 0.656 4.974 4.320 -0.003 0.000 0.316 139 A C -0.281 177.368 177.584 0.108 0.000 1.327 139 A CA -0.429 51.653 52.037 0.076 0.000 0.917 139 A CB 1.185 20.116 19.000 -0.115 0.000 1.162 139 A HN 1.027 9.177 8.150 0.000 0.000 0.535 140 V N 5.075 125.113 119.914 0.206 0.000 2.318 140 V HA 0.258 4.377 4.120 -0.003 0.000 0.271 140 V C 0.152 176.419 176.094 0.288 0.000 1.030 140 V CA -0.743 61.673 62.300 0.193 0.000 0.844 140 V CB 0.588 32.492 31.823 0.136 0.000 1.015 140 V HN 0.917 9.107 8.190 0.000 0.000 0.460 141 N N 4.103 122.952 118.700 0.248 0.000 2.525 141 N HA 0.234 4.972 4.740 -0.003 0.000 0.271 141 N C 0.347 175.972 175.510 0.192 0.000 1.194 141 N CA 0.206 53.435 53.050 0.298 0.000 0.964 141 N CB 1.577 40.189 38.487 0.208 0.000 1.126 141 N HN 0.764 9.144 8.380 0.000 0.000 0.452 142 T N 0.465 115.119 114.554 0.166 0.000 3.016 142 T HA 0.115 4.464 4.350 -0.003 0.000 0.271 142 T C -0.246 174.506 174.700 0.086 0.000 0.968 142 T CA 0.195 62.355 62.100 0.100 0.000 0.891 142 T CB 0.493 69.400 68.868 0.065 0.000 1.149 142 T HN 0.407 8.647 8.240 0.000 0.000 0.524 143 T N 2.036 116.656 114.554 0.110 0.000 2.848 143 T HA 0.601 4.950 4.350 -0.003 0.000 0.285 143 T C -0.400 174.367 174.700 0.110 0.000 0.995 143 T CA -0.503 61.656 62.100 0.097 0.000 0.970 143 T CB 1.475 70.400 68.868 0.096 0.000 0.976 143 T HN 0.076 8.316 8.240 0.000 0.000 0.441 144 A N 2.724 125.595 122.820 0.085 0.000 3.063 144 A HA 0.607 4.926 4.320 -0.003 0.000 0.263 144 A C 1.177 178.825 177.584 0.106 0.000 1.736 144 A CA 0.214 52.302 52.037 0.086 0.000 1.408 144 A CB -0.833 18.197 19.000 0.049 0.000 1.108 144 A HN 0.982 9.132 8.150 0.000 0.000 0.621 145 G N -0.404 108.487 108.800 0.153 0.000 2.579 145 G HA2 0.118 4.077 3.960 -0.003 0.000 0.160 145 G HA3 0.118 4.077 3.960 -0.003 0.000 0.160 145 G C 1.366 176.459 174.900 0.323 0.000 1.386 145 G CA 0.911 46.120 45.100 0.182 0.000 0.713 145 G HN 0.644 8.934 8.290 0.000 0.000 0.688 146 T N -1.203 113.543 114.554 0.320 0.000 2.937 146 T HA 0.349 4.697 4.350 -0.003 0.000 0.260 146 T C 1.877 176.801 174.700 0.374 0.000 1.051 146 T CA 1.759 64.097 62.100 0.396 0.000 1.141 146 T CB -0.211 68.813 68.868 0.259 0.000 0.879 146 T HN 1.835 10.075 8.240 0.000 0.000 0.459 147 A N 0.486 123.473 122.820 0.278 0.000 2.860 147 A HA -0.215 4.103 4.320 -0.003 0.000 0.267 147 A C 1.722 179.362 177.584 0.093 0.000 1.421 147 A CA 1.104 53.247 52.037 0.176 0.000 0.831 147 A CB -2.610 16.504 19.000 0.189 0.000 1.041 147 A HN 0.544 8.694 8.150 0.000 0.000 0.623 148 S N 0.118 115.900 115.700 0.136 0.000 2.442 148 S HA -0.147 4.322 4.470 -0.003 0.000 0.236 148 S C 1.872 176.400 174.600 -0.119 0.000 1.007 148 S CA 1.257 59.504 58.200 0.079 0.000 0.965 148 S CB -0.250 63.069 63.200 0.199 0.000 0.773 148 S HN 0.973 9.283 8.310 0.000 0.000 0.504 149 E N 0.587 120.606 120.200 -0.301 0.000 2.472 149 E HA -0.027 4.322 4.350 -0.003 0.000 0.200 149 E C 1.070 177.555 176.600 -0.191 0.000 1.046 149 E CA 0.539 56.686 56.400 -0.422 0.000 0.871 149 E CB -0.106 29.320 29.700 -0.457 0.000 0.806 149 E HN 0.381 8.741 8.360 0.000 0.000 0.533 150 V N 0.553 120.378 119.914 -0.149 0.000 3.199 150 V HA 0.150 4.268 4.120 -0.003 0.000 0.331 150 V C -0.194 175.776 176.094 -0.207 0.000 1.446 150 V CA 0.116 62.329 62.300 -0.145 0.000 1.120 150 V CB 0.907 32.660 31.823 -0.116 0.000 1.051 150 V HN 0.114 8.304 8.190 0.000 0.000 0.495 151 T N 0.832 115.270 114.554 -0.194 0.000 2.885 151 T HA 0.325 4.673 4.350 -0.003 0.000 0.285 151 T C 1.057 175.610 174.700 -0.244 0.000 1.019 151 T CA -0.598 61.356 62.100 -0.244 0.000 1.010 151 T CB 1.655 70.450 68.868 -0.121 0.000 1.022 151 T HN 0.428 8.668 8.240 0.000 0.000 0.466 152 R N 1.677 121.931 120.500 -0.411 0.000 2.297 152 R HA 0.089 4.427 4.340 -0.003 0.000 0.197 152 R C -0.431 175.655 176.300 -0.356 0.000 0.943 152 R CA 0.318 56.190 56.100 -0.379 0.000 1.038 152 R CB -0.276 29.789 30.300 -0.392 0.000 0.957 152 R HN 0.623 8.893 8.270 0.000 0.000 0.484 153 H N -0.068 118.977 119.070 -0.042 0.000 2.481 153 H HA 0.361 4.915 4.556 -0.003 0.000 0.339 153 H C -0.754 174.563 175.328 -0.018 0.000 1.131 153 H CA -0.601 55.440 56.048 -0.011 0.000 1.301 153 H CB 1.691 31.469 29.762 0.027 0.000 1.476 153 H HN 0.099 8.379 8.280 0.000 0.000 0.529 154 C N 3.856 123.218 119.300 0.104 0.000 2.397 154 C HA 0.616 5.075 4.460 -0.003 0.000 0.325 154 C C -0.843 174.141 174.990 -0.009 0.000 1.201 154 C CA -0.533 58.505 59.018 0.034 0.000 1.377 154 C CB -0.167 27.575 27.740 0.004 0.000 2.038 154 C HN 0.723 8.953 8.230 0.000 0.000 0.457 155 V N 8.923 128.794 119.914 -0.073 0.000 2.409 155 V HA 0.687 4.805 4.120 -0.003 0.000 0.290 155 V C -1.486 174.435 176.094 -0.289 0.000 1.017 155 V CA -0.341 61.845 62.300 -0.190 0.000 0.841 155 V CB 1.275 33.018 31.823 -0.133 0.000 1.003 155 V HN 0.810 9.000 8.190 0.000 0.000 0.426 156 L N 4.640 125.505 121.223 -0.597 0.000 2.323 156 L HA 0.662 5.000 4.340 -0.003 0.000 0.265 156 L C 0.500 177.020 176.870 -0.583 0.000 1.012 156 L CA -0.363 54.153 54.840 -0.540 0.000 0.820 156 L CB 1.893 43.666 42.059 -0.477 0.000 1.334 156 L HN 0.534 8.764 8.230 0.000 0.000 0.427 157 T N 1.523 115.935 114.554 -0.236 0.000 2.817 157 T HA 0.169 4.518 4.350 -0.003 0.000 0.293 157 T C 0.502 175.235 174.700 0.055 0.000 0.964 157 T CA -0.327 61.722 62.100 -0.085 0.000 1.085 157 T CB 0.427 69.276 68.868 -0.031 0.000 0.921 157 T HN 0.376 8.616 8.240 0.000 0.000 0.502 158 N N 2.461 121.256 118.700 0.159 0.000 2.402 158 N HA 0.029 4.767 4.740 -0.003 0.000 0.252 158 N C 1.059 176.591 175.510 0.036 0.000 1.118 158 N CA -0.005 53.135 53.050 0.151 0.000 0.945 158 N CB 0.896 39.387 38.487 0.006 0.000 1.147 158 N HN 0.492 8.872 8.380 0.000 0.000 0.495 159 T N 2.508 117.086 114.554 0.040 0.000 2.803 159 T HA -0.168 4.181 4.350 -0.003 0.000 0.269 159 T C 1.469 176.165 174.700 -0.006 0.000 1.052 159 T CA 1.168 63.279 62.100 0.019 0.000 1.136 159 T CB 0.084 68.969 68.868 0.029 0.000 0.864 159 T HN 0.619 8.859 8.240 0.000 0.000 0.467 160 E N 0.338 120.520 120.200 -0.030 0.000 2.107 160 E HA -0.122 4.226 4.350 -0.003 0.000 0.191 160 E C 2.347 178.913 176.600 -0.057 0.000 0.982 160 E CA 1.480 57.851 56.400 -0.047 0.000 0.809 160 E CB 0.140 29.799 29.700 -0.069 0.000 0.756 160 E HN 0.670 9.030 8.360 0.000 0.000 0.459 161 T N -3.561 110.946 114.554 -0.079 0.000 3.023 161 T HA 0.227 4.576 4.350 -0.003 0.000 0.249 161 T C 1.420 176.105 174.700 -0.024 0.000 1.050 161 T CA 1.249 63.311 62.100 -0.064 0.000 1.088 161 T CB 0.561 69.365 68.868 -0.107 0.000 0.946 161 T HN 0.247 8.487 8.240 0.000 0.000 0.480 162 K N -0.809 119.583 120.400 -0.013 0.000 3.604 162 K HA 0.044 4.363 4.320 -0.003 0.000 0.271 162 K C 0.617 177.230 176.600 0.022 0.000 1.180 162 K CA 1.319 57.610 56.287 0.007 0.000 1.017 162 K CB -2.680 29.823 32.500 0.005 0.000 1.292 162 K HN 1.715 9.965 8.250 0.000 0.000 0.501 163 V N 1.856 121.789 119.914 0.032 0.000 2.567 163 V HA 0.666 4.784 4.120 -0.003 0.000 0.289 163 V C 0.626 176.777 176.094 0.095 0.000 1.049 163 V CA -0.493 61.843 62.300 0.061 0.000 0.969 163 V CB 1.087 32.955 31.823 0.075 0.000 0.995 163 V HN 0.406 8.596 8.190 0.000 0.000 0.471 164 K N 3.910 124.348 120.400 0.064 0.000 2.295 164 K HA 0.610 4.929 4.320 -0.003 0.000 0.270 164 K C -0.800 175.890 176.600 0.150 0.000 1.011 164 K CA 0.239 56.536 56.287 0.017 0.000 0.953 164 K CB 0.847 33.304 32.500 -0.072 0.000 0.956 164 K HN 0.744 8.994 8.250 0.000 0.000 0.477 165 F N -1.450 118.560 119.950 0.099 0.000 2.577 165 F HA 0.644 5.170 4.527 -0.003 0.000 0.318 165 F C -0.959 174.889 175.800 0.079 0.000 1.065 165 F CA -1.346 56.735 58.000 0.136 0.000 0.929 165 F CB 0.997 40.170 39.000 0.289 0.000 1.237 165 F HN 0.043 8.343 8.300 0.000 0.000 0.468 166 V N 3.401 123.475 119.914 0.267 0.000 2.540 166 V HA 0.454 4.572 4.120 -0.003 0.000 0.302 166 V C -0.302 175.920 176.094 0.213 0.000 1.035 166 V CA -0.782 61.608 62.300 0.150 0.000 0.873 166 V CB 1.633 33.508 31.823 0.087 0.000 0.992 166 V HN 0.752 8.942 8.190 0.000 0.000 0.428 167 I N 4.575 125.254 120.570 0.182 0.000 2.328 167 I HA 0.409 4.578 4.170 -0.003 0.000 0.287 167 I C -0.555 175.616 176.117 0.091 0.000 1.012 167 I CA -0.628 60.751 61.300 0.132 0.000 1.195 167 I CB 1.710 39.776 38.000 0.109 0.000 1.350 167 I HN 0.309 8.519 8.210 0.000 0.000 0.464 168 V N 5.430 125.398 119.914 0.090 0.000 2.328 168 V HA 0.522 4.640 4.120 -0.003 0.000 0.278 168 V C -0.023 176.076 176.094 0.008 0.000 1.021 168 V CA -0.153 62.194 62.300 0.078 0.000 0.838 168 V CB 1.240 33.158 31.823 0.160 0.000 0.999 168 V HN 0.792 8.982 8.190 0.000 0.000 0.447 169 S N 4.931 120.598 115.700 -0.055 0.000 2.535 169 S HA 0.299 4.768 4.470 -0.003 0.000 0.272 169 S C 0.318 174.873 174.600 -0.074 0.000 1.149 169 S CA -0.686 57.479 58.200 -0.058 0.000 0.888 169 S CB 1.235 64.345 63.200 -0.150 0.000 1.110 169 S HN 0.846 9.156 8.310 0.000 0.000 0.463 170 W N 5.043 126.292 121.300 -0.085 0.000 2.424 170 W HA -0.039 4.619 4.660 -0.002 0.000 0.264 170 W C 0.755 177.232 176.519 -0.071 0.000 1.229 170 W CA 0.658 57.953 57.345 -0.085 0.000 1.208 170 W CB -0.545 28.879 29.460 -0.059 0.000 1.127 170 W HN 0.691 8.871 8.180 0.000 0.000 0.588 171 R N 0.824 120.813 120.500 -0.852 0.000 2.299 171 R HA 0.005 4.343 4.340 -0.003 0.000 0.197 171 R C 1.273 177.328 176.300 -0.409 0.000 0.971 171 R CA 0.906 56.485 56.100 -0.868 0.000 1.030 171 R CB -0.331 29.431 30.300 -0.898 0.000 0.932 171 R HN 0.393 8.663 8.270 0.000 0.000 0.477 172 N N -0.102 118.430 118.700 -0.279 0.000 2.422 172 N HA -0.007 4.732 4.740 -0.003 0.000 0.181 172 N C -0.481 174.945 175.510 -0.140 0.000 1.080 172 N CA -0.250 52.690 53.050 -0.184 0.000 0.893 172 N CB 0.272 38.669 38.487 -0.149 0.000 0.973 172 N HN -0.089 8.291 8.380 0.000 0.000 0.456 173 L N 2.473 123.620 121.223 -0.127 0.000 2.584 173 L HA 0.082 4.420 4.340 -0.003 0.000 0.272 173 L C -1.922 174.906 176.870 -0.070 0.000 1.195 173 L CA -1.292 53.497 54.840 -0.085 0.000 0.920 173 L CB -0.349 41.694 42.059 -0.026 0.000 1.173 173 L HN -0.058 8.172 8.230 0.000 0.000 0.489 174 P HA 0.121 4.541 4.420 0.000 0.000 0.269 174 P C 0.484 177.776 177.300 -0.014 0.000 1.215 174 P CA -0.080 62.997 63.100 -0.039 0.000 0.780 174 P CB 0.567 32.241 31.700 -0.043 0.000 0.898 175 S N -0.344 115.359 115.700 0.004 0.000 2.368 175 S HA -0.010 4.459 4.470 -0.003 0.000 0.225 175 S C 0.776 175.397 174.600 0.035 0.000 1.030 175 S CA 0.871 59.085 58.200 0.023 0.000 0.999 175 S CB -0.135 63.084 63.200 0.032 0.000 0.844 175 S HN 0.315 8.625 8.310 0.000 0.000 0.459 176 V N 1.753 121.694 119.914 0.046 0.000 2.733 176 V HA 0.546 4.664 4.120 -0.003 0.000 0.306 176 V C -0.481 175.657 176.094 0.073 0.000 1.084 176 V CA -0.841 61.506 62.300 0.079 0.000 0.905 176 V CB 2.110 34.013 31.823 0.133 0.000 1.010 176 V HN 0.390 8.580 8.190 0.000 0.000 0.424 177 S N 5.557 121.304 115.700 0.079 0.000 2.549 177 S HA 0.852 5.320 4.470 -0.003 0.000 0.297 177 S C -0.884 173.812 174.600 0.159 0.000 1.115 177 S CA -0.642 57.604 58.200 0.076 0.000 1.059 177 S CB 1.582 64.803 63.200 0.034 0.000 1.046 177 S HN 0.550 8.860 8.310 0.000 0.000 0.506 178 I N 2.657 123.316 120.570 0.149 0.000 2.478 178 I HA 0.393 4.561 4.170 -0.003 0.000 0.287 178 I C -0.639 175.588 176.117 0.184 0.000 1.042 178 I CA -0.592 60.821 61.300 0.187 0.000 1.067 178 I CB 1.965 40.045 38.000 0.133 0.000 1.233 178 I HN 0.689 8.899 8.210 0.000 0.000 0.431 179 N N 4.841 123.686 118.700 0.240 0.000 2.804 179 N HA 0.146 4.884 4.740 -0.003 0.000 0.251 179 N C -1.389 174.262 175.510 0.234 0.000 1.250 179 N CA -0.361 52.829 53.050 0.233 0.000 0.820 179 N CB 1.445 40.093 38.487 0.269 0.000 1.156 179 N HN 0.548 8.928 8.380 0.000 0.000 0.512 180 D N 2.492 122.986 120.400 0.157 0.000 2.412 180 D HA 0.231 4.869 4.640 -0.003 0.000 0.224 180 D C -1.361 174.984 176.300 0.076 0.000 1.093 180 D CA -2.127 51.945 54.000 0.119 0.000 0.850 180 D CB 1.653 42.502 40.800 0.082 0.000 1.046 180 D HN 0.208 8.578 8.370 0.000 0.000 0.507 181 P HA -0.150 4.270 4.420 0.000 0.000 0.221 181 P C 1.581 178.882 177.300 0.001 0.000 1.145 181 P CA 0.236 63.329 63.100 -0.011 0.000 0.795 181 P CB 0.515 32.161 31.700 -0.090 0.000 0.775 182 L N -1.402 119.832 121.223 0.018 0.000 2.353 182 L HA -0.110 4.229 4.340 -0.003 0.000 0.220 182 L C 2.096 178.984 176.870 0.029 0.000 1.133 182 L CA 1.423 56.276 54.840 0.021 0.000 0.798 182 L CB -1.396 40.681 42.059 0.031 0.000 0.922 182 L HN -0.055 8.175 8.230 0.000 0.000 0.445 183 L N -1.667 119.579 121.223 0.038 0.000 2.592 183 L HA 0.092 4.430 4.340 -0.003 0.000 0.227 183 L C 1.714 178.606 176.870 0.037 0.000 1.127 183 L CA 0.945 55.812 54.840 0.044 0.000 0.884 183 L CB -0.364 41.731 42.059 0.061 0.000 1.065 183 L HN 0.275 8.505 8.230 0.000 0.000 0.457 184 M N -2.269 117.347 119.600 0.028 0.000 2.337 184 M HA 0.125 4.603 4.480 -0.003 0.000 0.256 184 M C 1.416 177.724 176.300 0.014 0.000 1.075 184 M CA 0.028 55.342 55.300 0.023 0.000 1.024 184 M CB 0.437 33.050 32.600 0.021 0.000 1.429 184 M HN -0.021 8.269 8.290 0.000 0.000 0.497 185 I N 1.230 121.806 120.570 0.009 0.000 2.335 185 I HA -0.158 4.010 4.170 -0.003 0.000 0.251 185 I C 2.287 178.408 176.117 0.007 0.000 1.129 185 I CA 1.628 62.931 61.300 0.004 0.000 1.402 185 I CB -1.675 36.327 38.000 0.003 0.000 1.069 185 I HN 0.331 8.541 8.210 0.000 0.000 0.424 186 G N 0.928 109.734 108.800 0.010 0.000 2.920 186 G HA2 -0.085 3.874 3.960 -0.003 0.000 0.208 186 G HA3 -0.085 3.874 3.960 -0.003 0.000 0.208 186 G C 0.775 175.681 174.900 0.010 0.000 1.159 186 G CA -0.269 44.837 45.100 0.009 0.000 0.784 186 G HN 0.321 8.611 8.290 0.000 0.000 0.535 187 K N 1.730 122.138 120.400 0.012 0.000 2.447 187 K HA 0.170 4.488 4.320 -0.003 0.000 0.281 187 K C -2.367 174.240 176.600 0.011 0.000 1.031 187 K CA -1.187 55.108 56.287 0.014 0.000 1.019 187 K CB 0.646 33.157 32.500 0.018 0.000 0.918 187 K HN 0.051 8.301 8.250 0.000 0.000 0.476 188 P HA -0.041 4.379 4.420 0.000 0.000 0.269 188 P C 0.330 177.635 177.300 0.008 0.000 1.215 188 P CA -0.006 63.099 63.100 0.008 0.000 0.780 188 P CB 0.762 32.467 31.700 0.008 0.000 0.898 189 A N 2.966 125.790 122.820 0.006 0.000 1.903 189 A HA -0.259 4.059 4.320 -0.003 0.000 0.219 189 A C 2.142 179.729 177.584 0.005 0.000 1.191 189 A CA 2.547 54.587 52.037 0.005 0.000 0.638 189 A CB -1.738 17.264 19.000 0.004 0.000 0.823 189 A HN 0.578 8.728 8.150 0.000 0.000 0.451 190 A N -0.859 121.964 122.820 0.005 0.000 1.933 190 A HA -0.016 4.302 4.320 -0.003 0.000 0.218 190 A C 2.146 179.735 177.584 0.008 0.000 1.175 190 A CA 1.517 53.557 52.037 0.005 0.000 0.628 190 A CB -0.479 18.523 19.000 0.005 0.000 0.814 190 A HN 0.493 8.643 8.150 0.000 0.000 0.444 191 L N 0.234 121.465 121.223 0.013 0.000 2.056 191 L HA -0.130 4.208 4.340 -0.003 0.000 0.207 191 L C 2.782 179.665 176.870 0.020 0.000 1.078 191 L CA 2.793 57.644 54.840 0.019 0.000 0.749 191 L CB -1.210 40.862 42.059 0.021 0.000 0.901 191 L HN 0.596 8.826 8.230 0.000 0.000 0.433 192 T N -1.602 112.961 114.554 0.016 0.000 2.904 192 T HA -0.050 4.298 4.350 -0.003 0.000 0.267 192 T C 1.928 176.635 174.700 0.011 0.000 1.059 192 T CA 1.160 63.270 62.100 0.016 0.000 1.137 192 T CB -0.088 68.788 68.868 0.013 0.000 0.879 192 T HN 0.364 8.604 8.240 0.000 0.000 0.467 193 A N 1.597 124.420 122.820 0.005 0.000 1.858 193 A HA 0.310 4.629 4.320 -0.003 0.000 0.216 193 A C 2.862 180.442 177.584 -0.007 0.000 1.190 193 A CA 2.035 54.071 52.037 -0.002 0.000 0.617 193 A CB -1.532 17.465 19.000 -0.005 0.000 0.827 193 A HN 0.785 8.935 8.150 0.000 0.000 0.443 194 A N -0.310 122.508 122.820 -0.003 0.000 1.877 194 A HA -0.109 4.209 4.320 -0.003 0.000 0.216 194 A C 2.452 180.034 177.584 -0.003 0.000 1.186 194 A CA 2.676 54.708 52.037 -0.009 0.000 0.620 194 A CB -1.493 17.509 19.000 0.004 0.000 0.822 194 A HN 0.783 8.933 8.150 0.000 0.000 0.443 195 T N -2.629 111.937 114.554 0.021 0.000 2.867 195 T HA 0.034 4.382 4.350 -0.003 0.000 0.268 195 T C 1.871 176.584 174.700 0.020 0.000 1.057 195 T CA 1.533 63.657 62.100 0.040 0.000 1.136 195 T CB -0.831 68.074 68.868 0.061 0.000 0.874 195 T HN 0.414 8.654 8.240 0.000 0.000 0.466 196 G N 1.423 110.229 108.800 0.009 0.000 2.402 196 G HA2 -0.087 3.871 3.960 -0.003 0.000 0.216 196 G HA3 -0.087 3.871 3.960 -0.003 0.000 0.216 196 G C 1.604 176.489 174.900 -0.025 0.000 1.162 196 G CA 0.836 45.937 45.100 0.002 0.000 0.777 196 G HN 0.300 8.590 8.290 0.000 0.000 0.539 197 M N 0.987 120.561 119.600 -0.042 0.000 2.159 197 M HA -0.020 4.458 4.480 -0.003 0.000 0.263 197 M C 2.024 178.250 176.300 -0.124 0.000 1.063 197 M CA 1.088 56.345 55.300 -0.070 0.000 1.110 197 M CB -0.994 31.563 32.600 -0.072 0.000 1.374 197 M HN 0.217 8.507 8.290 0.000 0.000 0.411 198 D N 0.319 120.634 120.400 -0.142 0.000 2.123 198 D HA -0.101 4.537 4.640 -0.003 0.000 0.196 198 D C 1.846 177.863 176.300 -0.472 0.000 0.992 198 D CA 1.783 55.627 54.000 -0.260 0.000 0.833 198 D CB 0.120 40.868 40.800 -0.087 0.000 0.954 198 D HN 0.281 8.651 8.370 0.000 0.000 0.455 199 A N 0.390 123.093 122.820 -0.194 0.000 1.929 199 A HA -0.042 4.276 4.320 -0.003 0.000 0.216 199 A C 2.421 179.995 177.584 -0.017 0.000 1.176 199 A CA 0.802 52.813 52.037 -0.042 0.000 0.628 199 A CB -0.772 18.275 19.000 0.080 0.000 0.816 199 A HN 0.394 8.544 8.150 0.000 0.000 0.444 200 L N -0.226 120.972 121.223 -0.041 0.000 2.046 200 L HA -0.164 4.174 4.340 -0.003 0.000 0.208 200 L C 2.587 179.451 176.870 -0.010 0.000 1.077 200 L CA 2.302 57.133 54.840 -0.016 0.000 0.747 200 L CB -0.818 41.225 42.059 -0.026 0.000 0.896 200 L HN 0.420 8.650 8.230 0.000 0.000 0.432 201 T N -1.544 112.973 114.554 -0.063 0.000 2.684 201 T HA -0.256 4.092 4.350 -0.003 0.000 0.267 201 T C 1.567 176.322 174.700 0.092 0.000 1.036 201 T CA 1.776 63.867 62.100 -0.014 0.000 1.148 201 T CB -0.586 68.231 68.868 -0.086 0.000 0.863 201 T HN 0.552 8.792 8.240 0.000 0.000 0.436 202 H N 0.896 120.017 119.070 0.085 0.000 2.319 202 H HA -0.031 4.523 4.556 -0.003 0.000 0.297 202 H C 2.626 178.015 175.328 0.102 0.000 1.097 202 H CA 0.953 57.009 56.048 0.014 0.000 1.285 202 H CB -0.190 29.600 29.762 0.047 0.000 1.368 202 H HN 0.399 8.679 8.280 0.000 0.000 0.495 203 A N 0.777 123.724 122.820 0.213 0.000 1.858 203 A HA -0.168 4.150 4.320 -0.003 0.000 0.216 203 A C 2.648 180.296 177.584 0.106 0.000 1.190 203 A CA 1.944 54.063 52.037 0.137 0.000 0.617 203 A CB -1.024 18.017 19.000 0.069 0.000 0.827 203 A HN 0.365 8.515 8.150 0.000 0.000 0.443 204 V N -1.570 118.390 119.914 0.076 0.000 2.453 204 V HA -0.168 3.950 4.120 -0.003 0.000 0.247 204 V C 1.889 178.027 176.094 0.074 0.000 1.048 204 V CA 2.346 64.679 62.300 0.055 0.000 1.049 204 V CB -0.856 30.976 31.823 0.014 0.000 0.672 204 V HN 0.584 8.774 8.190 0.000 0.000 0.457 205 E N 1.197 121.459 120.200 0.103 0.000 2.077 205 E HA -0.131 4.217 4.350 -0.003 0.000 0.193 205 E C 2.419 179.083 176.600 0.106 0.000 0.989 205 E CA 1.453 57.916 56.400 0.105 0.000 0.800 205 E CB -0.385 29.394 29.700 0.132 0.000 0.746 205 E HN 0.746 9.106 8.360 0.000 0.000 0.452 206 A N 0.916 123.823 122.820 0.146 0.000 1.933 206 A HA -0.206 4.113 4.320 -0.003 0.000 0.218 206 A C 2.025 179.697 177.584 0.146 0.000 1.175 206 A CA 1.200 53.332 52.037 0.157 0.000 0.628 206 A CB -0.675 18.446 19.000 0.202 0.000 0.814 206 A HN 0.322 8.472 8.150 0.000 0.000 0.444 207 Y N 1.155 121.446 120.300 -0.014 0.000 2.181 207 Y HA -0.122 4.426 4.550 -0.003 0.000 0.288 207 Y C 1.863 177.712 175.900 -0.085 0.000 1.146 207 Y CA 1.469 59.532 58.100 -0.063 0.000 1.164 207 Y CB -0.164 38.234 38.460 -0.104 0.000 0.982 207 Y HN 0.447 8.727 8.280 0.000 0.000 0.515 208 I N -2.369 118.120 120.570 -0.136 0.000 3.883 208 I HA 0.218 4.386 4.170 -0.003 0.000 0.326 208 I C 1.062 177.125 176.117 -0.090 0.000 1.283 208 I CA 0.001 61.171 61.300 -0.217 0.000 1.161 208 I CB -0.330 37.535 38.000 -0.225 0.000 1.012 208 I HN 0.001 8.211 8.210 0.000 0.000 0.421 209 S N 1.716 117.401 115.700 -0.025 0.000 2.566 209 S HA 0.065 4.533 4.470 -0.003 0.000 0.280 209 S C 1.248 175.863 174.600 0.024 0.000 1.343 209 S CA -0.108 58.107 58.200 0.025 0.000 1.036 209 S CB 0.731 63.975 63.200 0.072 0.000 0.866 209 S HN 0.405 8.715 8.310 0.000 0.000 0.526 210 K N 1.470 121.904 120.400 0.057 0.000 2.280 210 K HA -0.064 4.254 4.320 -0.003 0.000 0.202 210 K C 0.324 177.001 176.600 0.128 0.000 1.047 210 K CA 1.167 57.501 56.287 0.078 0.000 0.942 210 K CB -0.073 32.489 32.500 0.102 0.000 0.739 210 K HN 0.596 8.846 8.250 0.000 0.000 0.457 211 D N 0.406 120.895 120.400 0.149 0.000 2.342 211 D HA 0.085 4.723 4.640 -0.003 0.000 0.221 211 D C 0.087 176.481 176.300 0.156 0.000 1.101 211 D CA 0.060 54.202 54.000 0.237 0.000 0.837 211 D CB 0.286 41.218 40.800 0.219 0.000 0.938 211 D HN 0.091 8.461 8.370 0.000 0.000 0.508 212 A N 1.744 124.593 122.820 0.049 0.000 2.425 212 A HA 0.365 4.684 4.320 -0.003 0.000 0.242 212 A C 0.697 178.158 177.584 -0.204 0.000 1.077 212 A CA -0.166 51.838 52.037 -0.055 0.000 0.781 212 A CB 0.350 19.311 19.000 -0.065 0.000 1.020 212 A HN 0.337 8.487 8.150 0.000 0.000 0.494 213 N N 0.731 119.256 118.700 -0.293 0.000 2.853 213 N HA 0.352 5.090 4.740 -0.003 0.000 0.258 213 N C -2.911 172.474 175.510 -0.208 0.000 1.444 213 N CA -1.655 51.155 53.050 -0.399 0.000 0.837 213 N CB 1.231 39.140 38.487 -0.963 0.000 1.489 213 N HN 0.097 8.477 8.380 0.000 0.000 0.529 214 P HA -0.088 4.332 4.420 0.000 0.000 0.218 214 P C 1.561 178.801 177.300 -0.100 0.000 1.148 214 P CA 0.823 63.868 63.100 -0.091 0.000 0.822 214 P CB 0.269 31.922 31.700 -0.078 0.000 0.784 215 V N -0.961 118.857 119.914 -0.161 0.000 2.307 215 V HA -0.219 3.900 4.120 -0.003 0.000 0.245 215 V C 2.441 178.470 176.094 -0.107 0.000 1.045 215 V CA 2.421 64.605 62.300 -0.194 0.000 1.024 215 V CB -1.788 29.838 31.823 -0.327 0.000 0.651 215 V HN 0.164 8.354 8.190 0.000 0.000 0.449 216 T N -0.362 114.161 114.554 -0.053 0.000 2.788 216 T HA -0.185 4.163 4.350 -0.003 0.000 0.268 216 T C 1.613 176.353 174.700 0.066 0.000 1.044 216 T CA 1.720 63.858 62.100 0.065 0.000 1.139 216 T CB -0.364 68.517 68.868 0.022 0.000 0.867 216 T HN 0.484 8.724 8.240 0.000 0.000 0.454 217 D N 0.919 121.350 120.400 0.052 0.000 2.224 217 D HA 0.080 4.718 4.640 -0.003 0.000 0.205 217 D C 2.236 178.550 176.300 0.023 0.000 0.965 217 D CA 0.844 54.917 54.000 0.121 0.000 0.852 217 D CB -0.403 40.525 40.800 0.213 0.000 0.947 217 D HN 0.402 8.772 8.370 0.000 0.000 0.494 218 A N 1.234 124.052 122.820 -0.004 0.000 1.892 218 A HA -0.159 4.159 4.320 -0.003 0.000 0.218 218 A C 2.325 179.893 177.584 -0.027 0.000 1.188 218 A CA 2.509 54.528 52.037 -0.030 0.000 0.631 218 A CB -0.791 18.184 19.000 -0.042 0.000 0.822 218 A HN 0.257 8.407 8.150 0.000 0.000 0.447 219 A N -0.506 122.319 122.820 0.009 0.000 1.873 219 A HA 0.234 4.552 4.320 -0.003 0.000 0.215 219 A C 2.538 180.123 177.584 0.001 0.000 1.186 219 A CA 2.051 54.100 52.037 0.019 0.000 0.616 219 A CB -1.079 17.962 19.000 0.067 0.000 0.823 219 A HN 1.097 9.247 8.150 0.000 0.000 0.442 220 A N -0.422 122.401 122.820 0.005 0.000 1.877 220 A HA -0.136 4.182 4.320 -0.003 0.000 0.216 220 A C 2.275 179.763 177.584 -0.159 0.000 1.186 220 A CA 1.895 53.915 52.037 -0.027 0.000 0.620 220 A CB -0.583 18.437 19.000 0.034 0.000 0.822 220 A HN 0.530 8.680 8.150 0.000 0.000 0.443 221 M N -1.469 117.979 119.600 -0.254 0.000 2.080 221 M HA -0.221 4.257 4.480 -0.003 0.000 0.260 221 M C 2.468 178.657 176.300 -0.185 0.000 1.068 221 M CA 2.107 57.208 55.300 -0.332 0.000 1.109 221 M CB -0.330 32.082 32.600 -0.314 0.000 1.342 221 M HN 0.525 8.815 8.290 0.000 0.000 0.405 222 Q N 0.445 120.174 119.800 -0.118 0.000 2.170 222 Q HA -0.090 4.249 4.340 -0.003 0.000 0.203 222 Q C 1.875 177.839 176.000 -0.061 0.000 0.976 222 Q CA 2.067 57.821 55.803 -0.081 0.000 0.858 222 Q CB -0.210 28.495 28.738 -0.056 0.000 0.907 222 Q HN 0.492 8.762 8.270 0.000 0.000 0.433 223 A N -0.072 122.720 122.820 -0.045 0.000 1.897 223 A HA -0.077 4.242 4.320 -0.003 0.000 0.215 223 A C 2.054 179.621 177.584 -0.029 0.000 1.181 223 A CA 1.243 53.274 52.037 -0.011 0.000 0.620 223 A CB -0.593 18.424 19.000 0.028 0.000 0.821 223 A HN 0.451 8.601 8.150 0.000 0.000 0.443 224 I N -0.851 119.680 120.570 -0.065 0.000 2.226 224 I HA -0.264 3.904 4.170 -0.003 0.000 0.245 224 I C 2.679 178.751 176.117 -0.075 0.000 1.100 224 I CA 1.784 63.039 61.300 -0.075 0.000 1.374 224 I CB -0.287 37.639 38.000 -0.123 0.000 1.057 224 I HN 0.345 8.555 8.210 0.000 0.000 0.413 225 R N 1.191 121.636 120.500 -0.093 0.000 2.081 225 R HA -0.152 4.186 4.340 -0.003 0.000 0.235 225 R C 2.312 178.555 176.300 -0.095 0.000 1.131 225 R CA 1.441 57.485 56.100 -0.093 0.000 0.960 225 R CB -0.195 30.043 30.300 -0.102 0.000 0.856 225 R HN 0.305 8.575 8.270 0.000 0.000 0.436 226 L N 0.099 121.272 121.223 -0.085 0.000 2.093 226 L HA -0.155 4.184 4.340 -0.003 0.000 0.208 226 L C 2.353 179.190 176.870 -0.054 0.000 1.085 226 L CA 1.149 55.934 54.840 -0.091 0.000 0.755 226 L CB -0.260 41.783 42.059 -0.027 0.000 0.904 226 L HN 0.270 8.500 8.230 0.000 0.000 0.435 227 I N -0.320 120.232 120.570 -0.030 0.000 2.252 227 I HA -0.245 3.923 4.170 -0.003 0.000 0.245 227 I C 2.784 178.887 176.117 -0.024 0.000 1.102 227 I CA 1.050 62.341 61.300 -0.015 0.000 1.385 227 I CB -0.403 37.593 38.000 -0.008 0.000 1.064 227 I HN 0.172 8.382 8.210 0.000 0.000 0.414 228 A N 0.965 123.763 122.820 -0.037 0.000 1.940 228 A HA -0.207 4.111 4.320 -0.003 0.000 0.219 228 A C 2.270 179.831 177.584 -0.038 0.000 1.176 228 A CA 1.652 53.667 52.037 -0.036 0.000 0.631 228 A CB -0.536 18.439 19.000 -0.042 0.000 0.814 228 A HN 0.396 8.546 8.150 0.000 0.000 0.446 229 R N -1.145 119.321 120.500 -0.056 0.000 2.317 229 R HA 0.177 4.515 4.340 -0.003 0.000 0.208 229 R C 0.479 176.758 176.300 -0.035 0.000 0.914 229 R CA 0.535 56.598 56.100 -0.062 0.000 1.060 229 R CB 0.119 30.349 30.300 -0.116 0.000 1.015 229 R HN 0.505 8.775 8.270 0.000 0.000 0.498 230 N N -0.723 117.969 118.700 -0.012 0.000 2.149 230 N HA -0.022 4.717 4.740 -0.003 0.000 0.229 230 N C 1.113 176.640 175.510 0.029 0.000 1.284 230 N CA 0.010 53.080 53.050 0.033 0.000 0.864 230 N CB 0.396 38.934 38.487 0.086 0.000 1.169 230 N HN 0.007 8.387 8.380 0.000 0.000 0.478 231 L N 2.616 123.846 121.223 0.013 0.000 2.027 231 L HA 0.051 4.389 4.340 -0.003 0.000 0.206 231 L C 2.294 179.168 176.870 0.007 0.000 1.074 231 L CA 1.728 56.574 54.840 0.009 0.000 0.745 231 L CB -0.492 41.567 42.059 0.001 0.000 0.898 231 L HN -0.030 8.200 8.230 0.000 0.000 0.433 232 R N -0.998 119.504 120.500 0.003 0.000 2.096 232 R HA -0.235 4.103 4.340 -0.003 0.000 0.240 232 R C 2.233 178.537 176.300 0.008 0.000 1.139 232 R CA 1.995 58.096 56.100 0.003 0.000 0.952 232 R CB -0.266 30.034 30.300 -0.000 0.000 0.854 232 R HN 0.453 8.723 8.270 0.000 0.000 0.436 233 Q N -0.473 119.335 119.800 0.014 0.000 2.124 233 Q HA -0.074 4.264 4.340 -0.003 0.000 0.202 233 Q C 1.985 177.995 176.000 0.017 0.000 0.977 233 Q CA 1.751 57.565 55.803 0.019 0.000 0.850 233 Q CB -0.119 28.638 28.738 0.032 0.000 0.901 233 Q HN 0.378 8.648 8.270 0.000 0.000 0.429 234 A N 0.169 122.999 122.820 0.017 0.000 1.898 234 A HA -0.122 4.196 4.320 -0.003 0.000 0.216 234 A C 2.239 179.828 177.584 0.008 0.000 1.181 234 A CA 1.573 53.618 52.037 0.012 0.000 0.620 234 A CB -0.964 18.044 19.000 0.013 0.000 0.819 234 A HN 0.343 8.493 8.150 0.000 0.000 0.442 235 V N -2.345 117.574 119.914 0.007 0.000 2.548 235 V HA 0.061 4.179 4.120 -0.003 0.000 0.249 235 V C 2.394 178.491 176.094 0.004 0.000 1.055 235 V CA 1.802 64.105 62.300 0.005 0.000 1.065 235 V CB -1.022 30.802 31.823 0.003 0.000 0.681 235 V HN 0.503 8.693 8.190 0.000 0.000 0.462 236 A N 0.357 123.180 122.820 0.005 0.000 1.898 236 A HA 0.204 4.523 4.320 -0.003 0.000 0.216 236 A C 1.244 178.831 177.584 0.005 0.000 1.181 236 A CA 1.925 53.965 52.037 0.005 0.000 0.620 236 A CB -0.318 18.686 19.000 0.006 0.000 0.819 236 A HN 0.796 8.946 8.150 0.000 0.000 0.442 237 L N -1.791 119.435 121.223 0.006 0.000 2.555 237 L HA 0.619 4.957 4.340 -0.003 0.000 0.264 237 L C 0.899 177.771 176.870 0.004 0.000 0.972 237 L CA 0.359 55.202 54.840 0.005 0.000 0.876 237 L CB 1.100 43.162 42.059 0.005 0.000 1.216 237 L HN 0.120 8.350 8.230 0.000 0.000 0.415 238 G N 1.362 110.164 108.800 0.003 0.000 2.432 238 G HA2 -0.207 3.751 3.960 -0.003 0.000 0.219 238 G HA3 -0.207 3.751 3.960 -0.003 0.000 0.219 238 G C 1.101 176.000 174.900 -0.001 0.000 1.135 238 G CA 0.924 46.025 45.100 0.002 0.000 0.767 238 G HN 0.757 9.047 8.290 0.000 0.000 0.550 239 S N 0.257 115.956 115.700 -0.001 0.000 2.607 239 S HA 0.025 4.494 4.470 -0.003 0.000 0.224 239 S C 1.067 175.664 174.600 -0.005 0.000 0.969 239 S CA -0.132 58.067 58.200 -0.002 0.000 0.927 239 S CB -0.208 62.992 63.200 -0.000 0.000 0.772 239 S HN 0.244 8.554 8.310 0.000 0.000 0.533 240 N N 2.259 120.956 118.700 -0.005 0.000 2.400 240 N HA 0.093 4.831 4.740 -0.003 0.000 0.267 240 N C 0.744 176.241 175.510 -0.022 0.000 1.208 240 N CA -0.116 52.930 53.050 -0.007 0.000 0.951 240 N CB 0.123 38.612 38.487 0.003 0.000 1.227 240 N HN 0.357 8.737 8.380 0.000 0.000 0.488 241 L N 3.041 124.245 121.223 -0.031 0.000 2.017 241 L HA -0.189 4.149 4.340 -0.003 0.000 0.208 241 L C 2.160 178.968 176.870 -0.104 0.000 1.073 241 L CA 1.488 56.294 54.840 -0.056 0.000 0.745 241 L CB -0.158 41.875 42.059 -0.044 0.000 0.894 241 L HN 0.697 8.927 8.230 0.000 0.000 0.432 242 Q N -0.348 119.393 119.800 -0.097 0.000 2.061 242 Q HA -0.247 4.092 4.340 -0.003 0.000 0.204 242 Q C 2.078 177.990 176.000 -0.147 0.000 0.984 242 Q CA 2.143 57.843 55.803 -0.172 0.000 0.846 242 Q CB -0.099 28.602 28.738 -0.061 0.000 0.902 242 Q HN 0.596 8.866 8.270 0.000 0.000 0.421 243 A N 0.244 123.055 122.820 -0.014 0.000 1.969 243 A HA -0.146 4.172 4.320 -0.003 0.000 0.218 243 A C 2.049 179.626 177.584 -0.012 0.000 1.169 243 A CA 1.395 53.461 52.037 0.047 0.000 0.635 243 A CB -0.349 18.676 19.000 0.042 0.000 0.810 243 A HN 0.242 8.392 8.150 0.000 0.000 0.445 244 R N -0.082 120.377 120.500 -0.068 0.000 2.073 244 R HA 0.019 4.357 4.340 -0.003 0.000 0.229 244 R C 2.047 178.230 176.300 -0.196 0.000 1.120 244 R CA 1.458 57.504 56.100 -0.090 0.000 0.967 244 R CB -0.443 29.816 30.300 -0.068 0.000 0.862 244 R HN 0.702 8.972 8.270 0.000 0.000 0.436 245 E N -1.050 118.965 120.200 -0.308 0.000 2.049 245 E HA -0.239 4.110 4.350 -0.003 0.000 0.198 245 E C 1.620 177.727 176.600 -0.822 0.000 1.007 245 E CA 1.581 57.609 56.400 -0.619 0.000 0.809 245 E CB -0.182 29.161 29.700 -0.594 0.000 0.749 245 E HN 0.324 8.684 8.360 0.000 0.000 0.450 246 Y N -0.437 119.655 120.300 -0.348 0.000 2.293 246 Y HA -0.138 4.410 4.550 -0.003 0.000 0.291 246 Y C 2.236 178.050 175.900 -0.144 0.000 1.137 246 Y CA 0.746 58.734 58.100 -0.187 0.000 1.202 246 Y CB -0.170 38.264 38.460 -0.043 0.000 0.990 246 Y HN 0.105 8.385 8.280 0.000 0.000 0.537 247 M N -0.789 118.818 119.600 0.013 0.000 2.132 247 M HA -0.087 4.392 4.480 -0.003 0.000 0.263 247 M C 2.454 178.743 176.300 -0.018 0.000 1.065 247 M CA 1.422 56.727 55.300 0.009 0.000 1.122 247 M CB -1.482 31.122 32.600 0.006 0.000 1.365 247 M HN 0.251 8.541 8.290 0.000 0.000 0.411 248 A N -0.466 122.282 122.820 -0.119 0.000 1.902 248 A HA -0.191 4.127 4.320 -0.003 0.000 0.217 248 A C 1.884 179.471 177.584 0.004 0.000 1.181 248 A CA 1.488 53.472 52.037 -0.088 0.000 0.623 248 A CB -0.952 17.948 19.000 -0.167 0.000 0.818 248 A HN 0.444 8.594 8.150 0.000 0.000 0.443 249 Y N -0.223 120.066 120.300 -0.018 0.000 2.263 249 Y HA 0.065 4.614 4.550 -0.002 0.000 0.292 249 Y C 2.899 178.763 175.900 -0.059 0.000 1.130 249 Y CA -0.007 58.025 58.100 -0.114 0.000 1.179 249 Y CB -1.310 37.079 38.460 -0.118 0.000 0.998 249 Y HN 0.316 8.596 8.280 0.000 0.000 0.532 250 A N -0.609 122.294 122.820 0.139 0.000 1.865 250 A HA -0.225 4.093 4.320 -0.003 0.000 0.217 250 A C 2.613 180.256 177.584 0.099 0.000 1.191 250 A CA 2.160 54.252 52.037 0.092 0.000 0.623 250 A CB -1.249 17.793 19.000 0.070 0.000 0.826 250 A HN 0.376 8.526 8.150 0.000 0.000 0.444 251 S N -0.815 114.950 115.700 0.109 0.000 2.370 251 S HA -0.162 4.307 4.470 -0.003 0.000 0.226 251 S C 1.951 176.642 174.600 0.151 0.000 1.033 251 S CA 1.613 59.905 58.200 0.153 0.000 1.011 251 S CB -0.507 62.779 63.200 0.144 0.000 0.852 251 S HN 0.545 8.855 8.310 0.000 0.000 0.457 252 L N 1.626 122.910 121.223 0.102 0.000 2.017 252 L HA 0.028 4.366 4.340 -0.003 0.000 0.208 252 L C 2.109 179.000 176.870 0.035 0.000 1.073 252 L CA 1.777 56.653 54.840 0.059 0.000 0.745 252 L CB -0.811 41.263 42.059 0.023 0.000 0.894 252 L HN 0.386 8.616 8.230 0.000 0.000 0.432 253 L N -0.303 120.938 121.223 0.030 0.000 2.042 253 L HA -0.205 4.134 4.340 -0.003 0.000 0.210 253 L C 2.700 179.609 176.870 0.065 0.000 1.076 253 L CA 1.364 56.219 54.840 0.025 0.000 0.749 253 L CB -0.986 41.081 42.059 0.012 0.000 0.893 253 L HN 0.412 8.642 8.230 0.000 0.000 0.432 254 A N 0.105 123.000 122.820 0.124 0.000 1.972 254 A HA -0.116 4.202 4.320 -0.003 0.000 0.219 254 A C 2.384 180.132 177.584 0.274 0.000 1.169 254 A CA 1.656 53.825 52.037 0.220 0.000 0.635 254 A CB -1.161 18.016 19.000 0.295 0.000 0.810 254 A HN 0.464 8.614 8.150 0.000 0.000 0.446 255 G N -0.462 108.432 108.800 0.157 0.000 2.414 255 G HA2 -0.221 3.737 3.960 -0.003 0.000 0.215 255 G HA3 -0.221 3.737 3.960 -0.003 0.000 0.215 255 G C 1.614 176.327 174.900 -0.312 0.000 1.188 255 G CA 1.142 46.164 45.100 -0.130 0.000 0.783 255 G HN 0.464 8.754 8.290 0.000 0.000 0.537 256 M N 0.874 120.378 119.600 -0.159 0.000 2.195 256 M HA -0.052 4.426 4.480 -0.003 0.000 0.260 256 M C 2.903 179.109 176.300 -0.158 0.000 1.066 256 M CA 1.381 56.566 55.300 -0.191 0.000 1.089 256 M CB -0.200 32.371 32.600 -0.048 0.000 1.377 256 M HN 0.349 8.639 8.290 0.000 0.000 0.411 257 A N 0.649 123.452 122.820 -0.029 0.000 1.832 257 A HA -0.130 4.188 4.320 -0.003 0.000 0.214 257 A C 1.944 179.550 177.584 0.036 0.000 1.204 257 A CA 1.405 53.473 52.037 0.053 0.000 0.606 257 A CB -1.087 17.985 19.000 0.120 0.000 0.849 257 A HN 0.612 8.762 8.150 0.000 0.000 0.445 258 F N 0.930 120.875 119.950 -0.008 0.000 2.234 258 F HA -0.120 4.405 4.527 -0.002 0.000 0.299 258 F C 1.739 177.533 175.800 -0.011 0.000 1.087 258 F CA 1.472 59.460 58.000 -0.020 0.000 1.340 258 F CB -0.676 38.280 39.000 -0.073 0.000 1.031 258 F HN 0.314 8.614 8.300 0.000 0.000 0.500 259 N N 0.833 119.059 118.700 -0.789 0.000 2.247 259 N HA -0.260 4.479 4.740 -0.003 0.000 0.189 259 N C 0.559 175.938 175.510 -0.218 0.000 1.009 259 N CA 1.794 54.508 53.050 -0.561 0.000 0.872 259 N CB -0.265 37.856 38.487 -0.610 0.000 0.980 259 N HN 0.589 8.969 8.380 0.000 0.000 0.436 260 N N -1.470 117.145 118.700 -0.141 0.000 2.211 260 N HA 0.199 4.938 4.740 -0.003 0.000 0.216 260 N C 0.677 176.229 175.510 0.070 0.000 1.240 260 N CA 0.107 53.128 53.050 -0.048 0.000 0.895 260 N CB 0.664 39.078 38.487 -0.122 0.000 1.102 260 N HN 0.096 8.476 8.380 0.000 0.000 0.498 261 A N 0.199 123.071 122.820 0.086 0.000 2.343 261 A HA 0.296 4.614 4.320 -0.003 0.000 0.223 261 A C 0.073 177.745 177.584 0.146 0.000 1.214 261 A CA -0.132 51.974 52.037 0.116 0.000 0.900 261 A CB 0.108 19.165 19.000 0.094 0.000 0.942 261 A HN 0.156 8.306 8.150 0.000 0.000 0.507 262 N N -1.809 116.998 118.700 0.178 0.000 6.832 262 N HA -0.159 4.579 4.740 -0.003 0.000 0.417 262 N C -0.233 175.384 175.510 0.178 0.000 0.938 262 N CA 1.280 54.452 53.050 0.203 0.000 1.317 262 N CB -0.800 37.788 38.487 0.169 0.000 0.820 262 N HN 0.254 8.634 8.380 0.000 0.000 0.305 263 L N -0.813 120.482 121.223 0.120 0.000 2.727 263 L HA 0.831 5.169 4.340 -0.003 0.000 0.210 263 L C 1.531 178.469 176.870 0.112 0.000 1.934 263 L CA 0.165 55.042 54.840 0.062 0.000 2.874 263 L CB 0.231 42.207 42.059 -0.138 0.000 2.806 263 L HN 0.886 9.116 8.230 0.000 0.000 0.676 264 G N -2.650 106.237 108.800 0.145 0.000 2.500 264 G HA2 0.154 4.112 3.960 -0.003 0.000 0.299 264 G HA3 0.154 4.112 3.960 -0.003 0.000 0.299 264 G C -0.709 174.362 174.900 0.285 0.000 1.242 264 G CA -0.380 44.830 45.100 0.183 0.000 0.859 264 G HN 0.134 8.424 8.290 0.000 0.000 0.481 265 Y N 0.278 120.616 120.300 0.063 0.000 2.333 265 Y HA -0.051 4.498 4.550 -0.003 0.000 0.290 265 Y C 3.130 178.993 175.900 -0.063 0.000 1.144 265 Y CA 1.178 59.276 58.100 -0.002 0.000 1.228 265 Y CB -0.811 37.640 38.460 -0.015 0.000 0.985 265 Y HN 0.121 8.401 8.280 0.000 0.000 0.542 266 V N -0.585 119.403 119.914 0.123 0.000 2.233 266 V HA -0.345 3.773 4.120 -0.003 0.000 0.247 266 V C 2.097 178.112 176.094 -0.132 0.000 1.050 266 V CA 2.445 64.729 62.300 -0.027 0.000 1.010 266 V CB -0.845 30.971 31.823 -0.012 0.000 0.637 266 V HN 0.316 8.506 8.190 0.000 0.000 0.444 267 H N -0.014 118.979 119.070 -0.129 0.000 2.387 267 H HA 0.007 4.561 4.556 -0.003 0.000 0.299 267 H C 2.225 177.308 175.328 -0.409 0.000 1.090 267 H CA 1.589 57.456 56.048 -0.301 0.000 1.332 267 H CB -0.384 29.264 29.762 -0.189 0.000 1.386 267 H HN 0.436 8.716 8.280 0.000 0.000 0.516 268 A N 0.108 122.914 122.820 -0.023 0.000 1.972 268 A HA -0.167 4.151 4.320 -0.003 0.000 0.219 268 A C 2.169 179.733 177.584 -0.032 0.000 1.169 268 A CA 1.632 53.679 52.037 0.017 0.000 0.635 268 A CB -0.400 18.626 19.000 0.043 0.000 0.810 268 A HN 0.355 8.505 8.150 0.000 0.000 0.446 269 M N -1.160 118.375 119.600 -0.109 0.000 2.394 269 M HA 0.083 4.561 4.480 -0.003 0.000 0.266 269 M C 2.391 178.693 176.300 0.002 0.000 1.098 269 M CA 0.895 56.151 55.300 -0.075 0.000 1.149 269 M CB -0.087 32.292 32.600 -0.368 0.000 1.369 269 M HN 0.416 8.706 8.290 0.000 0.000 0.450 270 A N -0.213 122.516 122.820 -0.151 0.000 1.969 270 A HA -0.163 4.155 4.320 -0.003 0.000 0.218 270 A C 1.620 179.208 177.584 0.006 0.000 1.169 270 A CA 1.479 53.413 52.037 -0.171 0.000 0.635 270 A CB -1.120 17.597 19.000 -0.471 0.000 0.810 270 A HN 0.550 8.700 8.150 0.000 0.000 0.445 271 H N -0.867 118.258 119.070 0.091 0.000 2.423 271 H HA -0.079 4.475 4.556 -0.003 0.000 0.297 271 H C 2.167 177.557 175.328 0.103 0.000 1.075 271 H CA 0.985 57.109 56.048 0.127 0.000 1.342 271 H CB 0.206 30.045 29.762 0.130 0.000 1.395 271 H HN 0.430 8.710 8.280 0.000 0.000 0.530 272 Q N 0.719 120.648 119.800 0.215 0.000 2.123 272 Q HA -0.064 4.274 4.340 -0.003 0.000 0.199 272 Q C 2.447 178.528 176.000 0.136 0.000 0.966 272 Q CA 0.747 56.641 55.803 0.153 0.000 0.845 272 Q CB -0.272 28.554 28.738 0.148 0.000 0.907 272 Q HN 0.520 8.790 8.270 0.000 0.000 0.439 273 L N -0.062 121.283 121.223 0.202 0.000 2.131 273 L HA -0.078 4.260 4.340 -0.003 0.000 0.210 273 L C 2.228 179.225 176.870 0.212 0.000 1.092 273 L CA 1.221 56.217 54.840 0.259 0.000 0.759 273 L CB -0.706 41.527 42.059 0.290 0.000 0.903 273 L HN 0.262 8.492 8.230 0.000 0.000 0.435 274 G N -0.709 108.197 108.800 0.177 0.000 2.511 274 G HA2 -0.071 3.887 3.960 -0.003 0.000 0.217 274 G HA3 -0.071 3.887 3.960 -0.003 0.000 0.217 274 G C 1.551 176.512 174.900 0.102 0.000 1.133 274 G CA 0.561 45.755 45.100 0.157 0.000 0.792 274 G HN 0.464 8.754 8.290 0.000 0.000 0.539 275 G N 0.333 109.183 108.800 0.084 0.000 2.430 275 G HA2 0.038 3.996 3.960 -0.003 0.000 0.216 275 G HA3 0.038 3.996 3.960 -0.003 0.000 0.216 275 G C 1.593 176.480 174.900 -0.022 0.000 1.146 275 G CA 0.413 45.542 45.100 0.048 0.000 0.793 275 G HN 0.410 8.700 8.290 0.000 0.000 0.537 276 L N -1.651 119.488 121.223 -0.140 0.000 2.356 276 L HA 0.246 4.584 4.340 -0.003 0.000 0.193 276 L C 1.914 178.585 176.870 -0.331 0.000 1.087 276 L CA 0.306 54.934 54.840 -0.355 0.000 0.817 276 L CB 0.212 41.844 42.059 -0.712 0.000 1.035 276 L HN 0.218 8.448 8.230 0.000 0.000 0.482 277 Y N -0.016 120.320 120.300 0.059 0.000 2.457 277 Y HA 0.062 4.610 4.550 -0.003 0.000 0.263 277 Y C 0.257 176.187 175.900 0.049 0.000 1.164 277 Y CA -0.996 57.133 58.100 0.047 0.000 1.274 277 Y CB -0.839 37.652 38.460 0.051 0.000 1.097 277 Y HN 0.298 8.578 8.280 0.000 0.000 0.523 278 D N -0.029 120.456 120.400 0.142 0.000 2.916 278 D HA -0.311 4.327 4.640 -0.003 0.000 0.211 278 D C 0.000 176.385 176.300 0.141 0.000 1.260 278 D CA 0.475 54.549 54.000 0.124 0.000 0.711 278 D CB -0.945 39.906 40.800 0.084 0.000 0.915 278 D HN 0.446 8.816 8.370 0.000 0.000 0.391 279 M N 0.556 120.259 119.600 0.172 0.000 2.245 279 M HA 0.175 4.653 4.480 -0.003 0.000 0.344 279 M C -1.968 174.399 176.300 0.110 0.000 1.170 279 M CA -1.097 54.283 55.300 0.133 0.000 1.135 279 M CB 0.580 33.264 32.600 0.141 0.000 1.574 279 M HN -0.092 8.198 8.290 0.000 0.000 0.452 280 P HA -0.055 4.365 4.420 0.000 0.000 0.261 280 P C -0.259 177.101 177.300 0.099 0.000 1.183 280 P CA 0.454 63.609 63.100 0.092 0.000 0.761 280 P CB 0.335 32.072 31.700 0.062 0.000 0.785 281 H N 3.544 122.643 119.070 0.049 0.000 2.357 281 H HA -0.213 4.341 4.556 -0.003 0.000 0.296 281 H C 2.065 177.380 175.328 -0.022 0.000 1.108 281 H CA 2.674 58.745 56.048 0.038 0.000 1.273 281 H CB -0.545 29.267 29.762 0.082 0.000 1.367 281 H HN 0.548 8.828 8.280 0.000 0.000 0.498 282 G N -0.271 108.540 108.800 0.018 0.000 2.459 282 G HA2 -0.277 3.681 3.960 -0.003 0.000 0.217 282 G HA3 -0.277 3.681 3.960 -0.003 0.000 0.217 282 G C 1.904 176.733 174.900 -0.118 0.000 1.183 282 G CA 1.174 46.237 45.100 -0.062 0.000 0.776 282 G HN 0.471 8.761 8.290 0.000 0.000 0.552 283 V N 1.184 121.060 119.914 -0.064 0.000 2.427 283 V HA 0.069 4.187 4.120 -0.003 0.000 0.248 283 V C 3.072 179.116 176.094 -0.083 0.000 1.051 283 V CA 2.270 64.535 62.300 -0.058 0.000 1.048 283 V CB -0.644 31.166 31.823 -0.022 0.000 0.666 283 V HN 0.462 8.652 8.190 0.000 0.000 0.456 284 A N 0.458 123.219 122.820 -0.099 0.000 1.859 284 A HA -0.332 3.987 4.320 -0.003 0.000 0.217 284 A C 1.960 179.427 177.584 -0.194 0.000 1.198 284 A CA 2.629 54.601 52.037 -0.109 0.000 0.629 284 A CB -1.275 17.669 19.000 -0.093 0.000 0.830 284 A HN 0.730 8.880 8.150 0.000 0.000 0.446 285 N N -0.049 118.439 118.700 -0.352 0.000 2.036 285 N HA -0.165 4.574 4.740 -0.003 0.000 0.195 285 N C 1.983 177.367 175.510 -0.210 0.000 1.037 285 N CA 1.591 54.413 53.050 -0.379 0.000 0.855 285 N CB -0.326 37.833 38.487 -0.547 0.000 1.033 285 N HN 0.522 8.902 8.380 0.000 0.000 0.423 286 A N 0.499 123.219 122.820 -0.167 0.000 1.892 286 A HA -0.164 4.154 4.320 -0.003 0.000 0.218 286 A C 2.335 179.878 177.584 -0.069 0.000 1.188 286 A CA 1.687 53.662 52.037 -0.103 0.000 0.631 286 A CB -1.043 17.908 19.000 -0.082 0.000 0.822 286 A HN 0.254 8.404 8.150 0.000 0.000 0.447 287 V N -1.033 118.846 119.914 -0.058 0.000 2.809 287 V HA -0.074 4.044 4.120 -0.003 0.000 0.256 287 V C 2.071 178.184 176.094 0.031 0.000 1.080 287 V CA 1.653 63.942 62.300 -0.019 0.000 1.102 287 V CB -0.308 31.502 31.823 -0.021 0.000 0.705 287 V HN 0.410 8.600 8.190 0.000 0.000 0.475 288 L N -0.870 120.340 121.223 -0.021 0.000 2.249 288 L HA 0.113 4.452 4.340 -0.003 0.000 0.207 288 L C 2.112 178.987 176.870 0.008 0.000 1.090 288 L CA 1.368 56.195 54.840 -0.022 0.000 0.802 288 L CB -0.875 41.112 42.059 -0.121 0.000 0.947 288 L HN 0.252 8.482 8.230 0.000 0.000 0.453 289 L N 0.430 121.636 121.223 -0.028 0.000 1.976 289 L HA -0.270 4.068 4.340 -0.003 0.000 0.223 289 L C -0.288 176.582 176.870 -0.001 0.000 1.081 289 L CA 2.269 57.101 54.840 -0.014 0.000 0.784 289 L CB -1.300 40.742 42.059 -0.029 0.000 0.896 289 L HN 0.235 8.465 8.230 0.000 0.000 0.438 290 P HA -0.114 4.306 4.420 0.000 0.000 0.217 290 P C 0.946 178.138 177.300 -0.181 0.000 1.150 290 P CA 1.519 64.531 63.100 -0.146 0.000 0.832 290 P CB -0.088 31.447 31.700 -0.275 0.000 0.787 291 H N -1.270 117.775 119.070 -0.041 0.000 2.326 291 H HA -0.048 4.506 4.556 -0.003 0.000 0.301 291 H C 1.846 177.159 175.328 -0.024 0.000 1.081 291 H CA 1.091 57.111 56.048 -0.048 0.000 1.334 291 H CB -0.937 28.775 29.762 -0.082 0.000 1.385 291 H HN -0.152 8.128 8.280 0.000 0.000 0.504 292 V N 0.867 120.836 119.914 0.090 0.000 2.427 292 V HA -0.246 3.873 4.120 -0.003 0.000 0.248 292 V C 2.556 178.746 176.094 0.159 0.000 1.051 292 V CA 1.477 63.838 62.300 0.103 0.000 1.048 292 V CB -0.962 30.902 31.823 0.067 0.000 0.666 292 V HN 0.569 8.759 8.190 0.000 0.000 0.456 293 A N 0.519 123.408 122.820 0.115 0.000 1.883 293 A HA -0.283 4.035 4.320 -0.003 0.000 0.217 293 A C 2.403 179.876 177.584 -0.184 0.000 1.186 293 A CA 2.215 54.325 52.037 0.121 0.000 0.624 293 A CB -0.589 18.533 19.000 0.205 0.000 0.822 293 A HN 0.512 8.662 8.150 0.000 0.000 0.444 294 R N -1.954 118.461 120.500 -0.140 0.000 2.091 294 R HA -0.214 4.124 4.340 -0.003 0.000 0.238 294 R C 2.066 178.300 176.300 -0.110 0.000 1.136 294 R CA 2.050 58.041 56.100 -0.182 0.000 0.959 294 R CB -0.568 29.677 30.300 -0.092 0.000 0.856 294 R HN 0.624 8.894 8.270 0.000 0.000 0.437 295 Y N 1.059 121.294 120.300 -0.108 0.000 2.224 295 Y HA -0.119 4.429 4.550 -0.003 0.000 0.289 295 Y C 1.486 177.338 175.900 -0.080 0.000 1.146 295 Y CA 1.752 59.812 58.100 -0.066 0.000 1.182 295 Y CB -0.111 38.342 38.460 -0.011 0.000 0.983 295 Y HN 0.158 8.438 8.280 0.000 0.000 0.524 296 N N 0.550 119.216 118.700 -0.058 0.000 2.494 296 N HA -0.107 4.632 4.740 -0.003 0.000 0.182 296 N C 1.858 177.292 175.510 -0.126 0.000 1.076 296 N CA 0.780 53.784 53.050 -0.077 0.000 0.908 296 N CB -0.352 38.243 38.487 0.180 0.000 0.967 296 N HN 0.483 8.863 8.380 0.000 0.000 0.449 297 L N 1.337 122.329 121.223 -0.384 0.000 2.013 297 L HA -0.160 4.178 4.340 -0.003 0.000 0.212 297 L C 2.012 178.773 176.870 -0.182 0.000 1.073 297 L CA 1.312 55.837 54.840 -0.524 0.000 0.753 297 L CB -0.301 41.403 42.059 -0.591 0.000 0.890 297 L HN 0.170 8.400 8.230 0.000 0.000 0.432 298 I N -2.873 117.587 120.570 -0.183 0.000 2.567 298 I HA -0.138 4.030 4.170 -0.003 0.000 0.257 298 I C 2.407 178.471 176.117 -0.088 0.000 1.184 298 I CA 1.231 62.455 61.300 -0.126 0.000 1.451 298 I CB -0.796 37.117 38.000 -0.145 0.000 1.089 298 I HN 0.167 8.377 8.210 0.000 0.000 0.441 299 A N 1.194 123.962 122.820 -0.087 0.000 1.933 299 A HA -0.138 4.180 4.320 -0.003 0.000 0.218 299 A C 1.336 178.916 177.584 -0.006 0.000 1.175 299 A CA 1.776 53.782 52.037 -0.053 0.000 0.628 299 A CB -0.419 18.546 19.000 -0.059 0.000 0.814 299 A HN 0.594 8.744 8.150 0.000 0.000 0.444 300 N N -1.908 116.827 118.700 0.059 0.000 2.751 300 N HA 0.238 4.976 4.740 -0.003 0.000 0.234 300 N C -2.721 172.885 175.510 0.160 0.000 1.403 300 N CA -1.240 51.850 53.050 0.067 0.000 0.747 300 N CB 0.971 39.458 38.487 0.001 0.000 1.326 300 N HN -0.134 8.246 8.380 0.000 0.000 0.532 301 P HA -0.076 4.344 4.420 0.000 0.000 0.216 301 P C 0.760 178.138 177.300 0.130 0.000 1.150 301 P CA 1.259 64.428 63.100 0.115 0.000 0.837 301 P CB 0.643 32.364 31.700 0.035 0.000 0.786 302 E N -0.114 120.128 120.200 0.070 0.000 2.085 302 E HA -0.169 4.179 4.350 -0.003 0.000 0.194 302 E C 1.903 178.538 176.600 0.058 0.000 0.994 302 E CA 1.253 57.683 56.400 0.050 0.000 0.801 302 E CB -0.604 29.106 29.700 0.017 0.000 0.743 302 E HN 0.267 8.627 8.360 0.000 0.000 0.453 303 K N -0.488 119.919 120.400 0.011 0.000 2.103 303 K HA -0.053 4.265 4.320 -0.003 0.000 0.204 303 K C 1.953 178.572 176.600 0.033 0.000 1.052 303 K CA 0.833 57.090 56.287 -0.050 0.000 0.945 303 K CB -0.200 32.058 32.500 -0.402 0.000 0.722 303 K HN 0.131 8.381 8.250 0.000 0.000 0.443 304 F N 1.235 121.214 119.950 0.049 0.000 2.171 304 F HA -0.184 4.342 4.527 -0.002 0.000 0.300 304 F C 2.485 178.317 175.800 0.053 0.000 1.090 304 F CA 1.134 59.169 58.000 0.058 0.000 1.293 304 F CB -0.345 38.665 39.000 0.018 0.000 1.013 304 F HN 0.035 8.335 8.300 0.000 0.000 0.486 305 A N 0.049 122.993 122.820 0.206 0.000 1.940 305 A HA -0.216 4.102 4.320 -0.003 0.000 0.219 305 A C 1.944 179.585 177.584 0.095 0.000 1.176 305 A CA 2.110 54.220 52.037 0.122 0.000 0.631 305 A CB -0.791 18.261 19.000 0.086 0.000 0.814 305 A HN 0.293 8.443 8.150 0.000 0.000 0.446 306 D N 0.157 120.622 120.400 0.108 0.000 2.117 306 D HA -0.139 4.499 4.640 -0.003 0.000 0.197 306 D C 1.860 178.184 176.300 0.040 0.000 0.987 306 D CA 1.242 55.295 54.000 0.089 0.000 0.829 306 D CB -0.444 40.463 40.800 0.180 0.000 0.961 306 D HN 0.544 8.914 8.370 0.000 0.000 0.460 307 I N 1.423 122.029 120.570 0.060 0.000 2.151 307 I HA -0.315 3.853 4.170 -0.003 0.000 0.243 307 I C 2.552 178.682 176.117 0.021 0.000 1.080 307 I CA 1.246 62.550 61.300 0.007 0.000 1.339 307 I CB -0.301 37.705 38.000 0.010 0.000 1.039 307 I HN -0.062 8.148 8.210 0.000 0.000 0.409 308 A N 0.206 123.061 122.820 0.060 0.000 1.892 308 A HA -0.312 4.006 4.320 -0.003 0.000 0.218 308 A C 2.287 179.878 177.584 0.013 0.000 1.188 308 A CA 2.262 54.324 52.037 0.041 0.000 0.631 308 A CB -0.757 18.274 19.000 0.052 0.000 0.822 308 A HN 0.515 8.665 8.150 0.000 0.000 0.447 309 E N -0.831 119.375 120.200 0.010 0.000 2.031 309 E HA -0.191 4.158 4.350 -0.003 0.000 0.193 309 E C 1.820 178.404 176.600 -0.027 0.000 0.994 309 E CA 1.177 57.573 56.400 -0.006 0.000 0.800 309 E CB -0.184 29.515 29.700 -0.003 0.000 0.752 309 E HN 0.353 8.713 8.360 0.000 0.000 0.447 310 L N 0.341 121.538 121.223 -0.044 0.000 2.129 310 L HA -0.189 4.150 4.340 -0.003 0.000 0.212 310 L C 2.180 179.014 176.870 -0.060 0.000 1.087 310 L CA 1.683 56.480 54.840 -0.073 0.000 0.757 310 L CB -0.474 41.513 42.059 -0.121 0.000 0.896 310 L HN 0.350 8.580 8.230 0.000 0.000 0.434 311 M N -1.995 117.580 119.600 -0.040 0.000 2.561 311 M HA 0.199 4.677 4.480 -0.003 0.000 0.238 311 M C 1.260 177.544 176.300 -0.027 0.000 1.131 311 M CA 0.742 56.023 55.300 -0.032 0.000 1.046 311 M CB 0.120 32.709 32.600 -0.018 0.000 1.532 311 M HN 0.403 8.693 8.290 0.000 0.000 0.497 312 G N 0.505 109.290 108.800 -0.026 0.000 2.144 312 G HA2 -0.148 3.810 3.960 -0.003 0.000 0.218 312 G HA3 -0.148 3.810 3.960 -0.003 0.000 0.218 312 G C -0.236 174.656 174.900 -0.014 0.000 0.988 312 G CA -0.428 44.659 45.100 -0.022 0.000 0.659 312 G HN 0.400 8.690 8.290 0.000 0.000 0.522 313 E N 0.408 120.603 120.200 -0.008 0.000 2.343 313 E HA 0.261 4.609 4.350 -0.003 0.000 0.269 313 E C 0.064 176.663 176.600 -0.002 0.000 1.047 313 E CA -0.711 55.687 56.400 -0.002 0.000 0.874 313 E CB 0.755 30.457 29.700 0.004 0.000 1.033 313 E HN 0.214 8.574 8.360 0.000 0.000 0.409 314 N N 2.479 121.178 118.700 -0.001 0.000 2.406 314 N HA 0.046 4.784 4.740 -0.003 0.000 0.251 314 N C -0.016 175.496 175.510 0.003 0.000 1.069 314 N CA -0.135 52.915 53.050 -0.000 0.000 0.947 314 N CB 0.280 38.766 38.487 -0.001 0.000 1.111 314 N HN 0.285 8.665 8.380 0.000 0.000 0.497 315 I N 2.505 123.078 120.570 0.004 0.000 4.018 315 I HA 0.007 4.175 4.170 -0.003 0.000 0.337 315 I C 1.657 177.778 176.117 0.007 0.000 1.327 315 I CA 0.286 61.591 61.300 0.008 0.000 1.100 315 I CB -1.139 36.868 38.000 0.013 0.000 1.025 315 I HN 0.448 8.658 8.210 0.000 0.000 0.396 316 T N 1.332 115.888 114.554 0.004 0.000 2.536 316 T HA -0.220 4.128 4.350 -0.003 0.000 0.263 316 T C 1.757 176.459 174.700 0.003 0.000 1.115 316 T CA 2.119 64.221 62.100 0.003 0.000 1.180 316 T CB -0.642 68.227 68.868 0.001 0.000 0.864 316 T HN 0.480 8.720 8.240 0.000 0.000 0.419 317 G N 0.659 109.461 108.800 0.003 0.000 2.920 317 G HA2 0.343 4.302 3.960 -0.003 0.000 0.208 317 G HA3 0.343 4.302 3.960 -0.003 0.000 0.208 317 G C 0.317 175.219 174.900 0.003 0.000 1.159 317 G CA -0.143 44.958 45.100 0.002 0.000 0.784 317 G HN 0.387 8.677 8.290 0.000 0.000 0.535 318 L N 1.831 123.057 121.223 0.005 0.000 2.350 318 L HA 0.339 4.677 4.340 -0.003 0.000 0.275 318 L C 0.948 177.822 176.870 0.006 0.000 1.099 318 L CA -0.781 54.062 54.840 0.005 0.000 0.808 318 L CB 1.515 43.578 42.059 0.007 0.000 1.149 318 L HN 0.130 8.360 8.230 0.000 0.000 0.442 319 S N 0.299 116.001 115.700 0.004 0.000 2.584 319 S HA 0.048 4.517 4.470 -0.003 0.000 0.270 319 S C 1.114 175.719 174.600 0.009 0.000 1.346 319 S CA -0.399 57.803 58.200 0.004 0.000 1.018 319 S CB 1.055 64.255 63.200 0.001 0.000 0.899 319 S HN 0.677 8.987 8.310 0.000 0.000 0.542 320 T N 2.122 116.683 114.554 0.011 0.000 2.665 320 T HA -0.140 4.208 4.350 -0.003 0.000 0.268 320 T C 1.735 176.446 174.700 0.019 0.000 1.035 320 T CA 1.917 64.028 62.100 0.019 0.000 1.151 320 T CB -0.696 68.183 68.868 0.019 0.000 0.862 320 T HN 0.524 8.764 8.240 0.000 0.000 0.438 321 L N 0.803 122.029 121.223 0.005 0.000 2.012 321 L HA -0.164 4.174 4.340 -0.003 0.000 0.210 321 L C 2.561 179.426 176.870 -0.008 0.000 1.073 321 L CA 1.461 56.297 54.840 -0.007 0.000 0.748 321 L CB -0.615 41.434 42.059 -0.017 0.000 0.891 321 L HN 0.140 8.370 8.230 0.000 0.000 0.431 322 D N -0.206 120.192 120.400 -0.003 0.000 2.144 322 D HA -0.160 4.478 4.640 -0.003 0.000 0.199 322 D C 2.215 178.518 176.300 0.006 0.000 0.984 322 D CA 1.420 55.418 54.000 -0.003 0.000 0.834 322 D CB -0.130 40.669 40.800 -0.002 0.000 0.955 322 D HN 0.339 8.709 8.370 0.000 0.000 0.465 323 A N 0.874 123.704 122.820 0.016 0.000 1.877 323 A HA -0.066 4.252 4.320 -0.003 0.000 0.216 323 A C 2.308 179.920 177.584 0.048 0.000 1.186 323 A CA 2.283 54.338 52.037 0.030 0.000 0.620 323 A CB -0.859 18.162 19.000 0.035 0.000 0.822 323 A HN 0.234 8.384 8.150 0.000 0.000 0.443 324 A N -0.661 122.191 122.820 0.054 0.000 1.933 324 A HA -0.174 4.145 4.320 -0.003 0.000 0.218 324 A C 1.951 179.545 177.584 0.017 0.000 1.175 324 A CA 1.720 53.804 52.037 0.080 0.000 0.628 324 A CB -0.488 18.545 19.000 0.054 0.000 0.814 324 A HN 0.479 8.629 8.150 0.000 0.000 0.444 325 E N 0.246 120.435 120.200 -0.018 0.000 2.070 325 E HA -0.221 4.127 4.350 -0.003 0.000 0.197 325 E C 1.919 178.512 176.600 -0.012 0.000 1.004 325 E CA 1.495 57.874 56.400 -0.035 0.000 0.805 325 E CB -0.287 29.396 29.700 -0.029 0.000 0.744 325 E HN 0.648 9.008 8.360 0.000 0.000 0.451 326 K N 0.037 120.443 120.400 0.010 0.000 2.209 326 K HA -0.078 4.241 4.320 -0.003 0.000 0.204 326 K C 2.074 178.693 176.600 0.032 0.000 1.048 326 K CA 0.836 57.132 56.287 0.015 0.000 0.940 326 K CB -0.068 32.442 32.500 0.017 0.000 0.729 326 K HN 0.046 8.296 8.250 0.000 0.000 0.451 327 A N 1.671 124.533 122.820 0.071 0.000 1.902 327 A HA -0.163 4.155 4.320 -0.003 0.000 0.217 327 A C 1.999 179.636 177.584 0.089 0.000 1.181 327 A CA 1.207 53.316 52.037 0.120 0.000 0.623 327 A CB -0.361 18.804 19.000 0.275 0.000 0.818 327 A HN 0.081 8.231 8.150 0.000 0.000 0.443 328 I N 0.127 120.720 120.570 0.038 0.000 2.142 328 I HA -0.225 3.943 4.170 -0.003 0.000 0.240 328 I C 2.984 179.081 176.117 -0.034 0.000 1.078 328 I CA 1.422 62.710 61.300 -0.020 0.000 1.343 328 I CB -1.881 36.067 38.000 -0.086 0.000 1.046 328 I HN 0.345 8.555 8.210 0.000 0.000 0.405 329 A N 1.261 124.064 122.820 -0.028 0.000 1.903 329 A HA -0.224 4.094 4.320 -0.003 0.000 0.219 329 A C 2.597 180.168 177.584 -0.021 0.000 1.191 329 A CA 2.762 54.782 52.037 -0.028 0.000 0.638 329 A CB -1.002 17.987 19.000 -0.019 0.000 0.823 329 A HN 0.459 8.609 8.150 0.000 0.000 0.451 330 A N -0.305 122.512 122.820 -0.006 0.000 1.877 330 A HA -0.086 4.232 4.320 -0.003 0.000 0.216 330 A C 2.156 179.734 177.584 -0.010 0.000 1.186 330 A CA 1.559 53.593 52.037 -0.004 0.000 0.620 330 A CB -0.645 18.358 19.000 0.006 0.000 0.822 330 A HN 0.514 8.664 8.150 0.000 0.000 0.443 331 I N -0.835 119.732 120.570 -0.004 0.000 2.127 331 I HA -0.244 3.924 4.170 -0.003 0.000 0.241 331 I C 2.801 178.896 176.117 -0.037 0.000 1.075 331 I CA 1.973 63.265 61.300 -0.013 0.000 1.334 331 I CB -0.418 37.585 38.000 0.004 0.000 1.040 331 I HN 0.440 8.650 8.210 0.000 0.000 0.405 332 T N 0.161 114.681 114.554 -0.055 0.000 2.995 332 T HA -0.151 4.198 4.350 -0.003 0.000 0.269 332 T C 2.098 176.768 174.700 -0.050 0.000 1.091 332 T CA 1.014 63.070 62.100 -0.073 0.000 1.128 332 T CB -0.160 68.640 68.868 -0.113 0.000 0.891 332 T HN 0.200 8.440 8.240 0.000 0.000 0.492 333 R N -0.093 120.386 120.500 -0.036 0.000 2.066 333 R HA -0.006 4.332 4.340 -0.003 0.000 0.232 333 R C 2.378 178.664 176.300 -0.023 0.000 1.131 333 R CA 1.370 57.455 56.100 -0.026 0.000 0.955 333 R CB -0.656 29.632 30.300 -0.019 0.000 0.851 333 R HN 0.432 8.702 8.270 0.000 0.000 0.432 334 L N 0.707 121.916 121.223 -0.023 0.000 2.046 334 L HA -0.128 4.211 4.340 -0.003 0.000 0.208 334 L C 2.354 179.210 176.870 -0.024 0.000 1.077 334 L CA 2.046 56.874 54.840 -0.021 0.000 0.747 334 L CB -0.861 41.186 42.059 -0.020 0.000 0.896 334 L HN 0.071 8.301 8.230 0.000 0.000 0.432 335 S N -0.880 114.801 115.700 -0.032 0.000 2.353 335 S HA -0.262 4.207 4.470 -0.003 0.000 0.222 335 S C 2.066 176.647 174.600 -0.031 0.000 1.035 335 S CA 1.984 60.163 58.200 -0.036 0.000 1.025 335 S CB -0.270 62.900 63.200 -0.049 0.000 0.902 335 S HN 0.524 8.834 8.310 0.000 0.000 0.440 336 M N 0.778 120.359 119.600 -0.031 0.000 2.117 336 M HA -0.123 4.355 4.480 -0.003 0.000 0.262 336 M C 1.814 178.105 176.300 -0.015 0.000 1.065 336 M CA 1.724 57.010 55.300 -0.024 0.000 1.114 336 M CB -0.640 31.947 32.600 -0.022 0.000 1.361 336 M HN 0.277 8.567 8.290 0.000 0.000 0.408 337 D N 0.750 121.142 120.400 -0.015 0.000 2.123 337 D HA -0.134 4.504 4.640 -0.003 0.000 0.196 337 D C 1.688 177.983 176.300 -0.009 0.000 0.992 337 D CA 1.342 55.336 54.000 -0.010 0.000 0.833 337 D CB -0.347 40.447 40.800 -0.010 0.000 0.954 337 D HN 0.572 8.942 8.370 0.000 0.000 0.455 338 I N -4.045 116.518 120.570 -0.011 0.000 3.684 338 I HA 0.306 4.474 4.170 -0.003 0.000 0.304 338 I C 1.194 177.305 176.117 -0.009 0.000 1.278 338 I CA 0.605 61.900 61.300 -0.009 0.000 1.272 338 I CB 0.115 38.109 38.000 -0.010 0.000 1.029 338 I HN 0.043 8.253 8.210 0.000 0.000 0.458 339 G N 1.908 110.702 108.800 -0.010 0.000 2.157 339 G HA2 -0.179 3.779 3.960 -0.003 0.000 0.239 339 G HA3 -0.179 3.779 3.960 -0.003 0.000 0.239 339 G C 0.095 174.987 174.900 -0.012 0.000 0.982 339 G CA -0.150 44.944 45.100 -0.009 0.000 0.650 339 G HN 0.299 8.589 8.290 0.000 0.000 0.527 340 I N 2.494 123.053 120.570 -0.018 0.000 2.752 340 I HA 0.135 4.304 4.170 -0.003 0.000 0.289 340 I C -1.135 174.967 176.117 -0.025 0.000 1.197 340 I CA -1.899 59.387 61.300 -0.024 0.000 1.432 340 I CB -0.252 37.728 38.000 -0.033 0.000 1.359 340 I HN 0.038 8.248 8.210 0.000 0.000 0.571 341 P HA 0.079 4.499 4.420 0.000 0.000 0.271 341 P C -0.045 177.229 177.300 -0.044 0.000 1.216 341 P CA -0.264 62.825 63.100 -0.019 0.000 0.776 341 P CB 0.904 32.595 31.700 -0.015 0.000 0.881 342 Q N 0.775 120.537 119.800 -0.063 0.000 2.396 342 Q HA 0.031 4.369 4.340 -0.003 0.000 0.209 342 Q C -0.041 175.704 176.000 -0.425 0.000 0.906 342 Q CA 0.978 56.644 55.803 -0.228 0.000 0.927 342 Q CB 0.096 28.658 28.738 -0.293 0.000 1.069 342 Q HN 0.681 8.951 8.270 0.000 0.000 0.523 343 H N -0.543 118.495 119.070 -0.053 0.000 2.609 343 H HA 0.246 4.801 4.556 -0.003 0.000 0.344 343 H C 0.834 176.069 175.328 -0.155 0.000 1.040 343 H CA -0.365 55.614 56.048 -0.115 0.000 1.216 343 H CB 1.585 31.241 29.762 -0.176 0.000 1.529 343 H HN -0.144 8.136 8.280 0.000 0.000 0.519 344 L N 1.350 122.553 121.223 -0.034 0.000 2.079 344 L HA -0.186 4.152 4.340 -0.003 0.000 0.210 344 L C 2.712 179.487 176.870 -0.159 0.000 1.081 344 L CA 1.252 56.083 54.840 -0.016 0.000 0.752 344 L CB -0.212 41.962 42.059 0.193 0.000 0.896 344 L HN 0.626 8.856 8.230 0.000 0.000 0.433 345 R N 0.410 120.596 120.500 -0.524 0.000 2.133 345 R HA -0.226 4.112 4.340 -0.003 0.000 0.247 345 R C 1.454 177.581 176.300 -0.288 0.000 1.151 345 R CA 2.103 57.798 56.100 -0.675 0.000 0.971 345 R CB -0.186 29.422 30.300 -1.154 0.000 0.866 345 R HN 0.359 8.629 8.270 0.000 0.000 0.447 346 D N -0.205 120.075 120.400 -0.200 0.000 2.347 346 D HA -0.047 4.591 4.640 -0.003 0.000 0.215 346 D C 0.748 176.990 176.300 -0.097 0.000 0.976 346 D CA 0.503 54.433 54.000 -0.118 0.000 0.884 346 D CB 0.244 41.005 40.800 -0.065 0.000 0.915 346 D HN 0.178 8.548 8.370 0.000 0.000 0.526 347 L N -0.363 120.792 121.223 -0.114 0.000 2.741 347 L HA 0.312 4.650 4.340 -0.003 0.000 0.237 347 L C 1.229 177.983 176.870 -0.194 0.000 1.178 347 L CA 0.096 54.867 54.840 -0.115 0.000 0.973 347 L CB -0.682 41.325 42.059 -0.087 0.000 1.255 347 L HN 0.033 8.263 8.230 0.000 0.000 0.498 348 G N 0.605 109.288 108.800 -0.194 0.000 2.246 348 G HA2 -0.226 3.732 3.960 -0.003 0.000 0.273 348 G HA3 -0.226 3.732 3.960 -0.003 0.000 0.273 348 G C 0.078 174.685 174.900 -0.488 0.000 1.055 348 G CA 0.247 45.209 45.100 -0.230 0.000 0.851 348 G HN 0.157 8.447 8.290 0.000 0.000 0.500 349 V N -0.145 119.519 119.914 -0.417 0.000 2.407 349 V HA 0.513 4.631 4.120 -0.003 0.000 0.278 349 V C 0.568 176.679 176.094 0.028 0.000 1.037 349 V CA -0.499 61.532 62.300 -0.449 0.000 0.900 349 V CB 1.643 33.404 31.823 -0.104 0.000 0.983 349 V HN 0.371 8.561 8.190 0.000 0.000 0.459 350 K N 2.901 123.330 120.400 0.047 0.000 2.138 350 K HA 0.398 4.717 4.320 -0.003 0.000 0.263 350 K C 0.949 177.277 176.600 -0.455 0.000 0.965 350 K CA -0.508 55.740 56.287 -0.065 0.000 0.868 350 K CB 1.608 34.094 32.500 -0.023 0.000 1.083 350 K HN 0.636 8.886 8.250 0.000 0.000 0.443 351 E N 0.329 120.108 120.200 -0.702 0.000 2.150 351 E HA -0.151 4.197 4.350 -0.003 0.000 0.193 351 E C 1.238 177.268 176.600 -0.949 0.000 0.985 351 E CA 1.612 57.228 56.400 -1.306 0.000 0.814 351 E CB -0.026 29.131 29.700 -0.905 0.000 0.752 351 E HN 0.742 9.102 8.360 0.000 0.000 0.466 352 T N -0.636 113.627 114.554 -0.484 0.000 3.113 352 T HA -0.068 4.280 4.350 -0.003 0.000 0.263 352 T C 1.025 175.598 174.700 -0.213 0.000 1.143 352 T CA 0.740 62.672 62.100 -0.279 0.000 1.090 352 T CB 0.000 68.765 68.868 -0.172 0.000 0.922 352 T HN -0.088 8.152 8.240 0.000 0.000 0.521 353 D N 0.168 120.409 120.400 -0.265 0.000 2.348 353 D HA 0.179 4.818 4.640 -0.003 0.000 0.211 353 D C 1.223 177.520 176.300 -0.005 0.000 0.998 353 D CA -0.041 53.904 54.000 -0.092 0.000 0.873 353 D CB -0.210 40.583 40.800 -0.011 0.000 0.925 353 D HN 0.317 8.687 8.370 0.000 0.000 0.524 354 F N 1.030 120.853 119.950 -0.211 0.000 2.102 354 F HA -0.025 4.501 4.527 -0.003 0.000 0.298 354 F C -0.405 175.304 175.800 -0.151 0.000 1.105 354 F CA 0.305 58.111 58.000 -0.323 0.000 1.239 354 F CB -2.207 36.671 39.000 -0.204 0.000 0.991 354 F HN 0.077 8.377 8.300 0.000 0.000 0.474 355 P HA -0.219 4.201 4.420 0.000 0.000 0.216 355 P C 1.676 179.030 177.300 0.089 0.000 1.150 355 P CA 1.525 64.681 63.100 0.093 0.000 0.837 355 P CB -0.320 31.421 31.700 0.068 0.000 0.786 356 Y N -0.461 119.825 120.300 -0.022 0.000 2.153 356 Y HA -0.117 4.431 4.550 -0.003 0.000 0.289 356 Y C 2.337 178.223 175.900 -0.023 0.000 1.127 356 Y CA 1.594 59.677 58.100 -0.028 0.000 1.131 356 Y CB -0.869 37.561 38.460 -0.049 0.000 0.995 356 Y HN -0.231 8.049 8.280 0.000 0.000 0.505 357 M N -0.120 119.437 119.600 -0.072 0.000 2.080 357 M HA -0.258 4.220 4.480 -0.003 0.000 0.260 357 M C 2.456 178.736 176.300 -0.034 0.000 1.068 357 M CA 1.914 57.127 55.300 -0.146 0.000 1.109 357 M CB -0.608 31.828 32.600 -0.274 0.000 1.342 357 M HN 0.485 8.775 8.290 0.000 0.000 0.405 358 A N -0.101 122.759 122.820 0.066 0.000 1.902 358 A HA -0.239 4.080 4.320 -0.003 0.000 0.217 358 A C 1.947 179.508 177.584 -0.039 0.000 1.181 358 A CA 2.070 54.174 52.037 0.110 0.000 0.623 358 A CB -0.867 18.207 19.000 0.122 0.000 0.818 358 A HN 0.612 8.762 8.150 0.000 0.000 0.443 359 E N -0.883 119.271 120.200 -0.076 0.000 2.058 359 E HA -0.211 4.137 4.350 -0.003 0.000 0.194 359 E C 1.998 178.512 176.600 -0.144 0.000 0.997 359 E CA 1.520 57.859 56.400 -0.101 0.000 0.801 359 E CB -0.188 29.455 29.700 -0.096 0.000 0.746 359 E HN 0.482 8.842 8.360 0.000 0.000 0.450 360 M N 0.268 119.717 119.600 -0.252 0.000 2.175 360 M HA -0.080 4.399 4.480 -0.003 0.000 0.264 360 M C 2.412 178.653 176.300 -0.099 0.000 1.063 360 M CA 1.330 56.492 55.300 -0.231 0.000 1.119 360 M CB -0.810 31.547 32.600 -0.404 0.000 1.377 360 M HN 0.254 8.544 8.290 0.000 0.000 0.415 361 A N -0.183 122.589 122.820 -0.079 0.000 1.969 361 A HA -0.082 4.237 4.320 -0.003 0.000 0.218 361 A C 2.184 179.702 177.584 -0.110 0.000 1.169 361 A CA 0.940 52.938 52.037 -0.065 0.000 0.635 361 A CB -0.748 18.203 19.000 -0.082 0.000 0.810 361 A HN 0.459 8.609 8.150 0.000 0.000 0.445 362 L N -1.405 119.745 121.223 -0.123 0.000 2.478 362 L HA -0.027 4.312 4.340 -0.003 0.000 0.223 362 L C 1.870 178.735 176.870 -0.009 0.000 1.140 362 L CA 0.983 55.761 54.840 -0.103 0.000 0.842 362 L CB -0.095 41.909 42.059 -0.091 0.000 0.953 362 L HN 0.388 8.618 8.230 0.000 0.000 0.452 363 K N -1.259 119.144 120.400 0.005 0.000 2.354 363 K HA 0.023 4.341 4.320 -0.003 0.000 0.194 363 K C 0.505 177.158 176.600 0.088 0.000 1.045 363 K CA -0.285 56.032 56.287 0.049 0.000 1.026 363 K CB 0.335 32.851 32.500 0.027 0.000 0.866 363 K HN 0.158 8.408 8.250 0.000 0.000 0.530 364 D N 0.484 120.937 120.400 0.088 0.000 2.488 364 D HA -0.064 4.574 4.640 -0.003 0.000 0.238 364 D C 1.018 177.419 176.300 0.168 0.000 1.138 364 D CA 0.327 54.408 54.000 0.136 0.000 0.873 364 D CB 1.362 42.266 40.800 0.173 0.000 1.183 364 D HN 0.248 8.618 8.370 0.000 0.000 0.458 365 G N 3.881 112.779 108.800 0.163 0.000 2.475 365 G HA2 -0.315 3.643 3.960 -0.003 0.000 0.220 365 G HA3 -0.315 3.643 3.960 -0.003 0.000 0.220 365 G C 1.367 176.384 174.900 0.194 0.000 1.125 365 G CA 0.624 45.823 45.100 0.166 0.000 0.755 365 G HN 0.659 8.949 8.290 0.000 0.000 0.565 366 N N 0.375 119.195 118.700 0.199 0.000 2.515 366 N HA 0.195 4.933 4.740 -0.003 0.000 0.185 366 N C 2.222 177.879 175.510 0.245 0.000 1.109 366 N CA 0.432 53.601 53.050 0.198 0.000 0.903 366 N CB 0.020 38.618 38.487 0.184 0.000 0.969 366 N HN 0.364 8.744 8.380 0.000 0.000 0.450 367 A N -0.011 122.973 122.820 0.274 0.000 2.016 367 A HA -0.002 4.316 4.320 -0.003 0.000 0.217 367 A C 1.703 179.488 177.584 0.336 0.000 1.162 367 A CA 0.443 52.697 52.037 0.362 0.000 0.662 367 A CB -0.570 18.588 19.000 0.263 0.000 0.812 367 A HN 0.355 8.505 8.150 0.000 0.000 0.450 368 F N 1.464 121.514 119.950 0.168 0.000 2.365 368 F HA -0.151 4.375 4.527 -0.003 0.000 0.300 368 F C 2.328 178.182 175.800 0.090 0.000 1.090 368 F CA 1.497 59.571 58.000 0.123 0.000 1.408 368 F CB 0.281 39.339 39.000 0.098 0.000 1.060 368 F HN 0.336 8.636 8.300 0.000 0.000 0.534 369 S N -1.451 114.444 115.700 0.324 0.000 2.556 369 S HA -0.001 4.467 4.470 -0.003 0.000 0.216 369 S C 0.589 175.253 174.600 0.107 0.000 0.970 369 S CA -0.541 57.789 58.200 0.217 0.000 0.912 369 S CB -0.693 62.618 63.200 0.186 0.000 0.790 369 S HN 0.305 8.615 8.310 0.000 0.000 0.504 370 N N 3.290 122.014 118.700 0.040 0.000 2.458 370 N HA 0.071 4.809 4.740 -0.003 0.000 0.258 370 N C -1.553 173.872 175.510 -0.142 0.000 1.219 370 N CA -0.980 51.994 53.050 -0.126 0.000 0.902 370 N CB 1.230 39.417 38.487 -0.500 0.000 1.076 370 N HN 0.094 8.474 8.380 0.000 0.000 0.455 371 P HA -0.085 4.335 4.420 0.000 0.000 0.221 371 P C 0.137 177.359 177.300 -0.129 0.000 1.150 371 P CA 1.071 64.122 63.100 -0.081 0.000 0.800 371 P CB 0.363 32.038 31.700 -0.043 0.000 0.787 372 R N 0.713 121.085 120.500 -0.214 0.000 2.294 372 R HA 0.297 4.635 4.340 -0.003 0.000 0.319 372 R C -0.058 176.108 176.300 -0.224 0.000 0.984 372 R CA -0.633 55.326 56.100 -0.236 0.000 0.861 372 R CB 0.760 30.837 30.300 -0.371 0.000 1.104 372 R HN -0.240 8.030 8.270 0.000 0.000 0.451 373 K N 3.291 123.631 120.400 -0.100 0.000 2.250 373 K HA 0.241 4.560 4.320 -0.003 0.000 0.280 373 K C -0.388 176.292 176.600 0.133 0.000 1.098 373 K CA -0.236 56.047 56.287 -0.007 0.000 0.916 373 K CB 1.104 33.582 32.500 -0.037 0.000 1.209 373 K HN 0.843 9.093 8.250 0.000 0.000 0.461 374 G N 2.404 111.413 108.800 0.349 0.000 2.736 374 G HA2 0.330 4.288 3.960 -0.003 0.000 0.229 374 G HA3 0.330 4.288 3.960 -0.003 0.000 0.229 374 G C -0.655 174.365 174.900 0.199 0.000 1.380 374 G CA -0.619 44.712 45.100 0.385 0.000 1.040 374 G HN 0.809 9.099 8.290 0.000 0.000 0.568 375 N N -2.501 116.271 118.700 0.119 0.000 3.243 375 N HA 0.137 4.875 4.740 -0.003 0.000 0.280 375 N C 0.324 175.827 175.510 -0.011 0.000 1.545 375 N CA -0.633 52.440 53.050 0.040 0.000 0.854 375 N CB 1.240 39.752 38.487 0.043 0.000 1.612 375 N HN 0.335 8.715 8.380 0.000 0.000 0.577 376 E N 0.885 121.079 120.200 -0.010 0.000 2.055 376 E HA -0.298 4.050 4.350 -0.003 0.000 0.209 376 E C 1.557 178.157 176.600 -0.000 0.000 1.036 376 E CA 2.239 58.633 56.400 -0.010 0.000 0.849 376 E CB -0.438 29.266 29.700 0.006 0.000 0.767 376 E HN 0.539 8.899 8.360 0.000 0.000 0.461 377 Q N 0.680 120.488 119.800 0.014 0.000 2.084 377 Q HA -0.119 4.219 4.340 -0.003 0.000 0.202 377 Q C 2.148 178.149 176.000 0.002 0.000 0.978 377 Q CA 1.385 57.201 55.803 0.021 0.000 0.844 377 Q CB -0.107 28.648 28.738 0.029 0.000 0.898 377 Q HN 0.364 8.634 8.270 0.000 0.000 0.426 378 E N 0.145 120.345 120.200 0.001 0.000 2.110 378 E HA -0.151 4.197 4.350 -0.003 0.000 0.193 378 E C 1.880 178.359 176.600 -0.201 0.000 0.988 378 E CA 0.889 57.275 56.400 -0.023 0.000 0.804 378 E CB -0.070 29.697 29.700 0.111 0.000 0.745 378 E HN 0.380 8.740 8.360 0.000 0.000 0.458 379 I N 0.866 121.308 120.570 -0.213 0.000 2.353 379 I HA -0.191 3.978 4.170 -0.003 0.000 0.248 379 I C 2.491 178.486 176.117 -0.204 0.000 1.119 379 I CA 0.626 61.723 61.300 -0.338 0.000 1.417 379 I CB -0.195 37.591 38.000 -0.357 0.000 1.078 379 I HN 0.060 8.270 8.210 0.000 0.000 0.421 380 A N 0.860 123.669 122.820 -0.018 0.000 1.933 380 A HA -0.159 4.160 4.320 -0.003 0.000 0.218 380 A C 2.542 180.116 177.584 -0.018 0.000 1.175 380 A CA 1.761 53.857 52.037 0.098 0.000 0.628 380 A CB -0.715 18.356 19.000 0.118 0.000 0.814 380 A HN 0.420 8.570 8.150 0.000 0.000 0.444 381 A N 0.087 122.872 122.820 -0.059 0.000 1.933 381 A HA -0.095 4.223 4.320 -0.003 0.000 0.218 381 A C 2.084 179.588 177.584 -0.133 0.000 1.175 381 A CA 1.540 53.541 52.037 -0.060 0.000 0.628 381 A CB -0.613 18.369 19.000 -0.030 0.000 0.814 381 A HN 0.521 8.671 8.150 0.000 0.000 0.444 382 I N -1.902 118.518 120.570 -0.250 0.000 2.226 382 I HA -0.233 3.935 4.170 -0.003 0.000 0.245 382 I C 2.226 178.103 176.117 -0.400 0.000 1.100 382 I CA 1.183 62.287 61.300 -0.327 0.000 1.374 382 I CB -0.465 37.257 38.000 -0.462 0.000 1.057 382 I HN 0.255 8.465 8.210 0.000 0.000 0.413 383 F N 1.040 120.702 119.950 -0.480 0.000 2.091 383 F HA -0.256 4.270 4.527 -0.003 0.000 0.299 383 F C 2.753 178.140 175.800 -0.690 0.000 1.103 383 F CA 1.742 59.268 58.000 -0.789 0.000 1.228 383 F CB -0.667 37.429 39.000 -1.506 0.000 0.984 383 F HN -0.070 8.230 8.300 0.000 0.000 0.477 384 R N 0.131 120.453 120.500 -0.297 0.000 2.152 384 R HA -0.169 4.169 4.340 -0.003 0.000 0.232 384 R C 2.062 178.392 176.300 0.051 0.000 1.117 384 R CA 1.323 57.441 56.100 0.029 0.000 0.981 384 R CB -0.161 30.191 30.300 0.087 0.000 0.870 384 R HN 0.386 8.656 8.270 0.000 0.000 0.451 385 Q N -0.948 118.794 119.800 -0.097 0.000 2.123 385 Q HA -0.012 4.326 4.340 -0.003 0.000 0.199 385 Q C 1.821 177.541 176.000 -0.467 0.000 0.966 385 Q CA 1.381 57.090 55.803 -0.156 0.000 0.845 385 Q CB 0.146 28.818 28.738 -0.110 0.000 0.907 385 Q HN 0.385 8.655 8.270 0.000 0.000 0.439 386 A N -0.100 122.354 122.820 -0.611 0.000 2.208 386 A HA 0.018 4.337 4.320 -0.003 0.000 0.209 386 A C 0.619 178.153 177.584 -0.082 0.000 1.161 386 A CA -0.159 51.500 52.037 -0.630 0.000 0.782 386 A CB -0.237 18.513 19.000 -0.417 0.000 0.816 386 A HN 0.293 8.443 8.150 0.000 0.000 0.477 387 F N 0.000 119.923 119.950 -0.045 0.000 2.286 387 F HA 0.000 4.525 4.527 -0.003 0.000 0.279 387 F CA 0.000 58.081 58.000 0.134 0.000 1.383 387 F CB 0.000 39.138 39.000 0.230 0.000 1.145 387 F HN 0.000 8.300 8.300 0.000 0.000 0.574