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 1r24_1_D DATA FIRST_RESID 1 DATA SEQUENCE DVQLVESGGG LVQPGGSRKL ScAASGFTFS NFGMHWVRQA PEKGLEWVAY DATA SEQUENCE ISSGGSSINY ADTVKGRFTI SRDNPKNTLF LQMTSLRSED TAIYYcTRGG DATA SEQUENCE TGTRSLYYFD YWGQGATLIV SSATTTAPSV YPLVPGCSDT SGSSVTLGcL DATA SEQUENCE VKGYFPGPVT VKWNYGALSS GVRTVSSVLQ SGFYSLSSLV TVPSSTWPSQ DATA SEQUENCE TVIcNVAHPA SKTDLIK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 1 D C 0.000 176.199 176.300 -0.168 0.000 2.045 1 D CA 0.000 53.964 54.000 -0.059 0.000 0.868 1 D CB 0.000 40.798 40.800 -0.003 0.000 0.688 2 V N 0.058 119.865 119.914 -0.177 0.000 6.341 2 V HA -0.192 3.928 4.120 0.001 0.000 0.328 2 V C -0.238 175.513 176.094 -0.571 0.000 0.496 2 V CA 0.613 62.705 62.300 -0.347 0.000 0.895 2 V CB -1.488 30.050 31.823 -0.474 0.000 0.869 2 V HN 0.790 8.980 8.190 -0.000 0.000 0.630 3 Q N 2.458 122.080 119.800 -0.296 0.000 2.303 3 Q HA 0.662 5.002 4.340 0.001 0.000 0.257 3 Q C -0.523 175.384 176.000 -0.154 0.000 0.941 3 Q CA -0.524 55.152 55.803 -0.211 0.000 0.931 3 Q CB 1.438 30.110 28.738 -0.110 0.000 1.215 3 Q HN 0.748 9.018 8.270 -0.000 0.000 0.437 4 L N 4.540 125.716 121.223 -0.078 0.000 2.316 4 L HA 0.543 4.884 4.340 0.001 0.000 0.280 4 L C -0.253 176.605 176.870 -0.022 0.000 1.006 4 L CA -1.055 53.750 54.840 -0.059 0.000 0.836 4 L CB 1.091 43.135 42.059 -0.025 0.000 1.221 4 L HN 0.325 8.555 8.230 -0.000 0.000 0.418 5 V N -0.451 119.437 119.914 -0.043 0.000 2.628 5 V HA 0.643 4.763 4.120 0.001 0.000 0.306 5 V C -0.175 175.909 176.094 -0.018 0.000 1.045 5 V CA -0.672 61.623 62.300 -0.008 0.000 0.905 5 V CB 2.025 33.847 31.823 -0.001 0.000 0.997 5 V HN 0.666 8.856 8.190 -0.000 0.000 0.436 6 E N 2.335 122.546 120.200 0.019 0.000 2.342 6 E HA 0.646 4.996 4.350 0.001 0.000 0.257 6 E C 0.348 176.977 176.600 0.048 0.000 1.150 6 E CA -0.147 56.285 56.400 0.054 0.000 0.926 6 E CB 1.458 31.235 29.700 0.129 0.000 1.074 6 E HN 0.772 9.132 8.360 -0.000 0.000 0.449 7 S N -0.899 114.838 115.700 0.061 0.000 2.733 7 S HA 0.225 4.696 4.470 0.001 0.000 0.270 7 S C 0.455 175.068 174.600 0.022 0.000 1.062 7 S CA 0.037 58.254 58.200 0.029 0.000 1.256 7 S CB 1.107 64.309 63.200 0.003 0.000 1.187 7 S HN 0.507 8.817 8.310 -0.000 0.000 0.666 8 G N 1.728 110.540 108.800 0.020 0.000 3.444 8 G HA2 0.579 4.539 3.960 0.001 0.000 0.315 8 G HA3 0.579 4.539 3.960 0.001 0.000 0.315 8 G C 0.233 175.116 174.900 -0.028 0.000 1.079 8 G CA -0.135 44.954 45.100 -0.018 0.000 1.500 8 G HN 0.347 8.637 8.290 -0.000 0.000 0.518 9 G N -0.141 108.654 108.800 -0.009 0.000 2.828 9 G HA2 0.911 4.872 3.960 0.001 0.000 0.244 9 G HA3 0.911 4.872 3.960 0.001 0.000 0.244 9 G C 0.169 175.059 174.900 -0.018 0.000 1.365 9 G CA -0.374 44.721 45.100 -0.007 0.000 1.041 9 G HN 1.354 9.644 8.290 -0.000 0.000 0.560 10 G N -2.116 106.679 108.800 -0.008 0.000 2.359 10 G HA2 0.344 4.304 3.960 0.001 0.000 0.293 10 G HA3 0.344 4.304 3.960 0.001 0.000 0.293 10 G C -1.807 173.095 174.900 0.003 0.000 1.300 10 G CA -0.744 44.350 45.100 -0.010 0.000 0.888 10 G HN 0.830 9.120 8.290 -0.000 0.000 0.541 11 L N 0.760 121.989 121.223 0.011 0.000 2.296 11 L HA 0.781 5.121 4.340 0.001 0.000 0.286 11 L C -0.440 176.466 176.870 0.059 0.000 1.023 11 L CA -0.813 54.053 54.840 0.043 0.000 0.812 11 L CB 1.213 43.305 42.059 0.056 0.000 1.223 11 L HN 0.460 8.690 8.230 -0.000 0.000 0.421 12 V N 3.975 123.931 119.914 0.070 0.000 2.914 12 V HA 0.377 4.498 4.120 0.001 0.000 0.314 12 V C -0.303 175.829 176.094 0.063 0.000 1.084 12 V CA -0.730 61.598 62.300 0.047 0.000 0.963 12 V CB 2.303 34.136 31.823 0.016 0.000 1.025 12 V HN 0.680 8.870 8.190 -0.000 0.000 0.432 13 Q N 2.500 122.327 119.800 0.046 0.000 2.230 13 Q HA 0.388 4.728 4.340 0.001 0.000 0.248 13 Q C -2.544 173.477 176.000 0.035 0.000 0.915 13 Q CA -1.834 53.998 55.803 0.047 0.000 0.900 13 Q CB 1.938 30.697 28.738 0.034 0.000 1.229 13 Q HN 0.424 8.694 8.270 -0.000 0.000 0.439 14 P HA 0.073 4.493 4.420 -0.000 0.000 0.264 14 P C 0.211 177.524 177.300 0.021 0.000 1.193 14 P CA 0.833 63.953 63.100 0.033 0.000 0.763 14 P CB 0.580 32.297 31.700 0.030 0.000 0.810 15 G N 1.741 110.554 108.800 0.022 0.000 2.424 15 G HA2 -0.162 3.799 3.960 0.001 0.000 0.207 15 G HA3 -0.162 3.799 3.960 0.001 0.000 0.207 15 G C 0.801 175.706 174.900 0.009 0.000 1.061 15 G CA -0.005 45.104 45.100 0.014 0.000 0.657 15 G HN 0.824 9.114 8.290 -0.000 0.000 0.508 16 G N 0.353 109.155 108.800 0.004 0.000 2.597 16 G HA2 0.590 4.551 3.960 0.001 0.000 0.194 16 G HA3 0.590 4.551 3.960 0.001 0.000 0.194 16 G C 0.529 175.412 174.900 -0.029 0.000 1.625 16 G CA 2.034 47.129 45.100 -0.009 0.000 1.050 16 G HN 1.928 10.218 8.290 -0.000 0.000 0.531 17 S N -3.119 112.552 115.700 -0.048 0.000 2.683 17 S HA 0.815 5.285 4.470 0.001 0.000 0.269 17 S C -0.983 173.550 174.600 -0.113 0.000 1.165 17 S CA -0.992 57.154 58.200 -0.090 0.000 0.840 17 S CB 2.458 65.605 63.200 -0.088 0.000 1.169 17 S HN 0.761 9.070 8.310 -0.000 0.000 0.490 18 R N -0.209 120.190 120.500 -0.168 0.000 2.764 18 R HA 0.613 4.953 4.340 0.001 0.000 0.276 18 R C -2.014 174.157 176.300 -0.214 0.000 1.021 18 R CA -0.649 55.357 56.100 -0.156 0.000 0.870 18 R CB 1.880 32.070 30.300 -0.184 0.000 1.293 18 R HN 0.899 9.169 8.270 -0.000 0.000 0.469 19 K N 1.031 121.319 120.400 -0.185 0.000 2.542 19 K HA 0.496 4.816 4.320 0.001 0.000 0.259 19 K C -1.746 174.772 176.600 -0.136 0.000 0.932 19 K CA -0.616 55.569 56.287 -0.169 0.000 0.820 19 K CB 1.427 33.886 32.500 -0.069 0.000 1.345 19 K HN 0.235 8.485 8.250 -0.000 0.000 0.432 20 L N 1.423 122.536 121.223 -0.184 0.000 2.333 20 L HA 0.674 5.014 4.340 0.001 0.000 0.269 20 L C -0.709 176.155 176.870 -0.012 0.000 1.010 20 L CA -0.210 54.543 54.840 -0.145 0.000 0.818 20 L CB 2.044 43.868 42.059 -0.391 0.000 1.306 20 L HN 0.705 8.935 8.230 -0.000 0.000 0.430 21 S N 0.603 116.309 115.700 0.010 0.000 2.564 21 S HA 0.666 5.136 4.470 0.001 0.000 0.274 21 S C -1.745 172.816 174.600 -0.065 0.000 1.124 21 S CA -0.470 57.592 58.200 -0.230 0.000 0.869 21 S CB 1.331 64.449 63.200 -0.136 0.000 1.105 21 S HN 0.693 9.003 8.310 -0.000 0.000 0.472 22 c N 3.951 122.450 118.600 -0.168 0.000 2.478 22 c HA 0.790 5.360 4.570 0.001 0.000 0.334 22 c C 0.208 174.184 174.090 -0.191 0.000 1.106 22 c CA -0.386 55.881 56.329 -0.105 0.000 1.363 22 c CB -0.588 41.869 42.510 -0.088 0.000 1.941 22 c HN 1.002 9.232 8.230 -0.000 0.000 0.436 23 A N 4.649 127.369 122.820 -0.166 0.000 2.347 23 A HA 0.658 4.978 4.320 0.001 0.000 0.287 23 A C 0.569 178.009 177.584 -0.240 0.000 1.199 23 A CA 0.300 52.217 52.037 -0.201 0.000 0.851 23 A CB 0.198 19.116 19.000 -0.136 0.000 1.118 23 A HN 1.495 9.645 8.150 -0.000 0.000 0.525 24 A N 2.961 125.541 122.820 -0.400 0.000 2.304 24 A HA 0.795 5.116 4.320 0.001 0.000 0.271 24 A C 0.512 177.932 177.584 -0.274 0.000 1.091 24 A CA 0.297 52.075 52.037 -0.433 0.000 0.812 24 A CB 0.289 18.656 19.000 -1.055 0.000 1.056 24 A HN 2.150 10.300 8.150 -0.000 0.000 0.489 25 S N -1.174 114.431 115.700 -0.158 0.000 2.565 25 S HA 0.633 5.103 4.470 0.001 0.000 0.274 25 S C 0.149 174.728 174.600 -0.036 0.000 1.144 25 S CA 0.133 58.279 58.200 -0.089 0.000 0.849 25 S CB 0.867 64.012 63.200 -0.093 0.000 1.103 25 S HN 2.627 10.937 8.310 -0.000 0.000 0.455 26 G N -0.197 108.613 108.800 0.018 0.000 2.159 26 G HA2 -0.069 3.892 3.960 0.001 0.000 0.227 26 G HA3 -0.069 3.892 3.960 0.001 0.000 0.227 26 G C -0.282 174.756 174.900 0.228 0.000 0.986 26 G CA 0.371 45.508 45.100 0.062 0.000 0.651 26 G HN 1.401 9.691 8.290 -0.000 0.000 0.523 27 F N -0.868 119.112 119.950 0.050 0.000 3.122 27 F HA 0.533 5.060 4.527 0.001 0.000 0.325 27 F C -0.413 175.506 175.800 0.198 0.000 1.162 27 F CA -0.036 58.050 58.000 0.142 0.000 0.876 27 F CB 0.613 39.743 39.000 0.215 0.000 1.429 27 F HN -0.024 8.276 8.300 -0.000 0.000 0.484 28 T N 3.591 118.453 114.554 0.514 0.000 2.739 28 T HA 0.144 4.494 4.350 0.001 0.000 0.298 28 T C 0.841 175.852 174.700 0.520 0.000 0.929 28 T CA -0.057 62.252 62.100 0.348 0.000 1.014 28 T CB 0.133 69.089 68.868 0.148 0.000 0.914 28 T HN 0.445 8.685 8.240 -0.000 0.000 0.509 29 F N 3.550 123.646 119.950 0.243 0.000 2.115 29 F HA -0.221 4.306 4.527 0.000 0.000 0.300 29 F C 2.419 178.355 175.800 0.227 0.000 1.092 29 F CA 1.758 59.896 58.000 0.231 0.000 1.245 29 F CB -0.736 38.346 39.000 0.136 0.000 0.995 29 F HN 0.558 8.858 8.300 -0.000 0.000 0.481 30 S N -0.446 115.367 115.700 0.188 0.000 2.419 30 S HA -0.223 4.247 4.470 0.001 0.000 0.233 30 S C 1.189 175.776 174.600 -0.022 0.000 1.016 30 S CA 1.391 59.601 58.200 0.018 0.000 0.974 30 S CB -0.870 62.357 63.200 0.044 0.000 0.786 30 S HN 0.552 8.862 8.310 -0.000 0.000 0.492 31 N N 0.489 119.189 118.700 0.000 0.000 2.375 31 N HA 0.334 5.074 4.740 0.001 0.000 0.220 31 N C -0.999 174.305 175.510 -0.344 0.000 1.170 31 N CA 0.025 52.939 53.050 -0.227 0.000 0.833 31 N CB 0.015 38.300 38.487 -0.336 0.000 1.069 31 N HN 0.289 8.669 8.380 -0.000 0.000 0.479 32 F N -0.445 119.448 119.950 -0.096 0.000 2.569 32 F HA 0.438 4.965 4.527 0.001 0.000 0.312 32 F C 0.841 176.574 175.800 -0.112 0.000 1.109 32 F CA -1.299 56.643 58.000 -0.097 0.000 0.919 32 F CB 1.592 40.537 39.000 -0.092 0.000 1.211 32 F HN -0.119 8.181 8.300 -0.000 0.000 0.446 33 G N 3.876 112.784 108.800 0.181 0.000 2.441 33 G HA2 0.391 4.352 3.960 0.001 0.000 0.243 33 G HA3 0.391 4.352 3.960 0.001 0.000 0.243 33 G C -0.232 174.729 174.900 0.102 0.000 1.281 33 G CA -0.465 44.763 45.100 0.214 0.000 0.854 33 G HN 0.351 8.641 8.290 -0.000 0.000 0.560 34 M N 0.736 120.371 119.600 0.059 0.000 2.679 34 M HA 0.521 5.001 4.480 0.001 0.000 0.287 34 M C 0.113 176.470 176.300 0.095 0.000 1.202 34 M CA -0.430 54.908 55.300 0.064 0.000 0.911 34 M CB 1.475 34.123 32.600 0.079 0.000 1.556 34 M HN 0.596 8.886 8.290 -0.000 0.000 0.511 35 H N -1.776 117.394 119.070 0.167 0.000 3.042 35 H HA 0.305 4.861 4.556 0.000 0.000 0.346 35 H C -1.847 173.488 175.328 0.012 0.000 1.294 35 H CA -0.585 55.633 56.048 0.284 0.000 1.141 35 H CB 1.491 31.467 29.762 0.357 0.000 1.872 35 H HN 0.651 8.931 8.280 -0.000 0.000 0.541 36 W N 1.355 122.724 121.300 0.115 0.000 2.600 36 W HA 0.514 5.174 4.660 0.001 0.000 0.325 36 W C -0.814 175.671 176.519 -0.057 0.000 1.034 36 W CA -0.430 56.936 57.345 0.035 0.000 1.226 36 W CB 1.900 31.399 29.460 0.065 0.000 1.379 36 W HN 0.179 8.359 8.180 -0.000 0.000 0.466 37 V N 4.476 124.505 119.914 0.192 0.000 2.680 37 V HA 0.622 4.742 4.120 0.001 0.000 0.309 37 V C -0.105 176.159 176.094 0.284 0.000 1.052 37 V CA -1.244 61.155 62.300 0.165 0.000 0.908 37 V CB 1.727 33.596 31.823 0.077 0.000 1.001 37 V HN 0.557 8.747 8.190 -0.000 0.000 0.431 38 R N 3.157 123.743 120.500 0.143 0.000 2.854 38 R HA 0.754 5.095 4.340 0.001 0.000 0.271 38 R C -0.926 175.396 176.300 0.037 0.000 0.996 38 R CA -0.829 55.234 56.100 -0.062 0.000 0.961 38 R CB 2.002 32.044 30.300 -0.431 0.000 1.182 38 R HN 0.693 8.963 8.270 -0.000 0.000 0.479 39 Q N 2.369 122.139 119.800 -0.051 0.000 2.932 39 Q HA 0.446 4.786 4.340 0.001 0.000 0.248 39 Q C -1.635 174.348 176.000 -0.029 0.000 0.982 39 Q CA -0.427 55.403 55.803 0.045 0.000 0.730 39 Q CB 1.461 30.329 28.738 0.218 0.000 1.249 39 Q HN 0.772 9.042 8.270 -0.000 0.000 0.476 40 A N 3.379 126.181 122.820 -0.030 0.000 2.252 40 A HA 0.908 5.229 4.320 0.001 0.000 0.305 40 A C -2.598 175.000 177.584 0.024 0.000 1.097 40 A CA -1.409 50.620 52.037 -0.013 0.000 0.849 40 A CB 0.621 19.616 19.000 -0.008 0.000 1.142 40 A HN 0.626 8.776 8.150 -0.000 0.000 0.499 41 P HA 0.384 4.804 4.420 -0.000 0.000 0.330 41 P C 0.372 177.697 177.300 0.042 0.000 1.274 41 P CA -0.261 62.865 63.100 0.044 0.000 0.802 41 P CB 0.720 32.453 31.700 0.054 0.000 1.384 42 E N -1.621 118.604 120.200 0.041 0.000 5.309 42 E HA -0.362 3.988 4.350 0.001 0.000 0.168 42 E C -0.278 176.343 176.600 0.034 0.000 1.215 42 E CA 1.897 58.318 56.400 0.035 0.000 1.746 42 E CB -0.737 28.982 29.700 0.033 0.000 1.853 42 E HN 0.336 8.696 8.360 -0.000 0.000 0.311 43 K N -1.047 119.376 120.400 0.037 0.000 2.450 43 K HA 0.619 4.939 4.320 0.001 0.000 0.248 43 K C 0.543 177.170 176.600 0.044 0.000 1.056 43 K CA -0.065 56.246 56.287 0.039 0.000 0.974 43 K CB 1.098 33.623 32.500 0.040 0.000 1.334 43 K HN 0.177 8.427 8.250 -0.000 0.000 0.516 44 G N -0.429 108.403 108.800 0.053 0.000 3.306 44 G HA2 0.389 4.349 3.960 0.001 0.000 0.202 44 G HA3 0.389 4.349 3.960 0.001 0.000 0.202 44 G C -0.755 174.200 174.900 0.092 0.000 1.673 44 G CA -0.492 44.647 45.100 0.065 0.000 0.776 44 G HN 0.242 8.532 8.290 -0.000 0.000 0.740 45 L N 0.281 121.575 121.223 0.118 0.000 2.352 45 L HA 0.660 5.000 4.340 0.001 0.000 0.269 45 L C -0.420 176.549 176.870 0.166 0.000 1.034 45 L CA -0.548 54.396 54.840 0.173 0.000 0.806 45 L CB 1.920 44.107 42.059 0.213 0.000 1.244 45 L HN 0.556 8.786 8.230 -0.000 0.000 0.447 46 E N 0.873 121.184 120.200 0.185 0.000 2.307 46 E HA 0.109 4.459 4.350 0.001 0.000 0.280 46 E C -1.607 175.123 176.600 0.216 0.000 0.900 46 E CA -0.693 55.812 56.400 0.176 0.000 0.790 46 E CB 1.323 31.079 29.700 0.094 0.000 1.261 46 E HN 0.455 8.815 8.360 -0.000 0.000 0.405 47 W N 4.995 126.379 121.300 0.139 0.000 2.034 47 W HA 0.314 4.974 4.660 0.001 0.000 0.357 47 W C 0.031 176.645 176.519 0.159 0.000 1.326 47 W CA 0.319 57.751 57.345 0.144 0.000 1.318 47 W CB 1.116 30.687 29.460 0.184 0.000 1.193 47 W HN 0.353 8.533 8.180 -0.000 0.000 0.620 48 V N 1.140 120.435 119.914 -1.031 0.000 3.142 48 V HA 0.375 4.496 4.120 0.001 0.000 0.250 48 V C -0.443 175.231 176.094 -0.700 0.000 1.774 48 V CA 0.449 62.403 62.300 -0.576 0.000 1.003 48 V CB -0.411 31.368 31.823 -0.073 0.000 0.935 48 V HN 1.001 9.191 8.190 -0.000 0.000 0.371 49 A N -0.159 122.189 122.820 -0.788 0.000 2.577 49 A HA 0.778 5.098 4.320 0.001 0.000 0.297 49 A C -1.899 175.720 177.584 0.059 0.000 1.060 49 A CA -0.097 51.682 52.037 -0.430 0.000 0.697 49 A CB 1.359 20.231 19.000 -0.213 0.000 1.281 49 A HN 0.918 9.068 8.150 -0.000 0.000 0.402 50 Y N 1.259 121.575 120.300 0.027 0.000 2.571 50 Y HA 0.824 5.374 4.550 0.000 0.000 0.341 50 Y C -1.602 174.299 175.900 0.003 0.000 1.076 50 Y CA -1.122 57.075 58.100 0.162 0.000 1.029 50 Y CB 1.596 40.323 38.460 0.446 0.000 1.308 50 Y HN 0.949 9.229 8.280 -0.000 0.000 0.461 51 I N 3.881 124.055 120.570 -0.660 0.000 2.649 51 I HA 0.337 4.508 4.170 0.001 0.000 0.289 51 I C -1.029 174.784 176.117 -0.507 0.000 1.222 51 I CA -0.311 60.587 61.300 -0.670 0.000 1.046 51 I CB 1.957 39.819 38.000 -0.229 0.000 1.272 51 I HN 0.815 9.025 8.210 -0.000 0.000 0.425 52 S N 3.756 119.141 115.700 -0.526 0.000 2.572 52 S HA 0.105 4.575 4.470 0.001 0.000 0.267 52 S C 0.279 174.833 174.600 -0.076 0.000 1.361 52 S CA -0.237 57.882 58.200 -0.135 0.000 1.009 52 S CB 0.507 63.650 63.200 -0.094 0.000 0.888 52 S HN 0.762 9.072 8.310 -0.000 0.000 0.553 53 S N 0.793 116.479 115.700 -0.022 0.000 2.563 53 S HA 0.411 4.881 4.470 0.001 0.000 0.284 53 S C 1.517 176.069 174.600 -0.080 0.000 1.331 53 S CA -0.230 57.918 58.200 -0.087 0.000 1.047 53 S CB -0.067 63.090 63.200 -0.071 0.000 0.859 53 S HN 1.771 10.081 8.310 -0.000 0.000 0.514 54 G N 2.108 110.858 108.800 -0.083 0.000 2.353 54 G HA2 -0.036 3.924 3.960 0.001 0.000 0.258 54 G HA3 -0.036 3.924 3.960 0.001 0.000 0.258 54 G C 1.249 176.126 174.900 -0.038 0.000 1.013 54 G CA 0.754 45.829 45.100 -0.041 0.000 0.622 54 G HN 2.484 10.774 8.290 -0.000 0.000 0.535 55 G N -1.582 107.180 108.800 -0.062 0.000 2.184 55 G HA2 -0.055 3.906 3.960 0.001 0.000 0.206 55 G HA3 -0.055 3.906 3.960 0.001 0.000 0.206 55 G C 1.067 175.938 174.900 -0.048 0.000 0.995 55 G CA 1.221 46.288 45.100 -0.055 0.000 0.651 55 G HN 1.479 9.769 8.290 -0.000 0.000 0.511 56 S N -0.082 115.592 115.700 -0.044 0.000 2.481 56 S HA 0.326 4.796 4.470 0.001 0.000 0.231 56 S C 1.014 175.595 174.600 -0.032 0.000 0.996 56 S CA 1.298 59.483 58.200 -0.025 0.000 0.942 56 S CB -0.034 63.161 63.200 -0.008 0.000 0.768 56 S HN 0.718 9.028 8.310 -0.000 0.000 0.520 57 S N 0.578 116.228 115.700 -0.082 0.000 2.571 57 S HA 0.606 5.076 4.470 0.001 0.000 0.284 57 S C -0.779 173.705 174.600 -0.194 0.000 1.128 57 S CA -0.670 57.473 58.200 -0.095 0.000 0.970 57 S CB 1.809 64.972 63.200 -0.062 0.000 1.039 57 S HN 0.179 8.489 8.310 -0.000 0.000 0.485 58 I N 2.454 122.971 120.570 -0.088 0.000 2.646 58 I HA 0.477 4.647 4.170 0.001 0.000 0.299 58 I C -0.609 175.518 176.117 0.017 0.000 1.036 58 I CA -0.722 60.498 61.300 -0.133 0.000 1.074 58 I CB 2.278 40.274 38.000 -0.008 0.000 1.258 58 I HN 0.583 8.793 8.210 -0.000 0.000 0.430 59 N N 3.732 122.484 118.700 0.086 0.000 2.430 59 N HA 0.475 5.215 4.740 0.001 0.000 0.290 59 N C -1.722 174.005 175.510 0.361 0.000 1.063 59 N CA -0.541 52.711 53.050 0.337 0.000 0.883 59 N CB 1.867 40.643 38.487 0.482 0.000 1.465 59 N HN 0.381 8.761 8.380 -0.000 0.000 0.493 60 Y N 0.681 121.088 120.300 0.179 0.000 2.567 60 Y HA 0.679 5.229 4.550 0.000 0.000 0.333 60 Y C 0.596 176.477 175.900 -0.032 0.000 1.106 60 Y CA -1.258 56.825 58.100 -0.028 0.000 1.157 60 Y CB 1.212 39.633 38.460 -0.065 0.000 1.277 60 Y HN 0.393 8.673 8.280 -0.000 0.000 0.490 61 A N 0.764 123.574 122.820 -0.017 0.000 2.406 61 A HA 0.060 4.380 4.320 0.001 0.000 0.243 61 A C 0.779 178.386 177.584 0.038 0.000 1.082 61 A CA -0.245 51.811 52.037 0.032 0.000 0.786 61 A CB 0.072 19.024 19.000 -0.081 0.000 1.029 61 A HN 0.916 9.066 8.150 -0.000 0.000 0.495 62 D N 0.936 121.374 120.400 0.064 0.000 2.092 62 D HA -0.132 4.508 4.640 0.001 0.000 0.193 62 D C 1.933 178.210 176.300 -0.039 0.000 0.994 62 D CA 2.284 56.297 54.000 0.022 0.000 0.828 62 D CB -0.672 40.155 40.800 0.044 0.000 0.963 62 D HN 0.660 9.030 8.370 -0.000 0.000 0.450 63 T N 0.363 114.894 114.554 -0.039 0.000 2.736 63 T HA -0.194 4.156 4.350 0.001 0.000 0.265 63 T C 1.787 176.364 174.700 -0.206 0.000 1.031 63 T CA 2.108 64.153 62.100 -0.091 0.000 1.155 63 T CB -0.153 68.680 68.868 -0.059 0.000 0.849 63 T HN 0.236 8.476 8.240 -0.000 0.000 0.471 64 V N -1.462 118.256 119.914 -0.327 0.000 3.330 64 V HA 0.394 4.515 4.120 0.001 0.000 0.309 64 V C 0.152 175.982 176.094 -0.440 0.000 1.481 64 V CA -0.747 61.181 62.300 -0.619 0.000 1.068 64 V CB -0.108 30.816 31.823 -1.498 0.000 0.935 64 V HN 0.367 8.557 8.190 -0.000 0.000 0.453 65 K N 1.224 121.455 120.400 -0.281 0.000 2.355 65 K HA 0.699 5.019 4.320 0.001 0.000 0.270 65 K C 1.154 177.602 176.600 -0.253 0.000 1.003 65 K CA 0.983 57.073 56.287 -0.328 0.000 0.957 65 K CB 0.675 33.058 32.500 -0.195 0.000 0.939 65 K HN 0.921 9.171 8.250 -0.000 0.000 0.482 66 G N 1.890 110.527 108.800 -0.271 0.000 2.420 66 G HA2 -0.319 3.642 3.960 0.001 0.000 0.221 66 G HA3 -0.319 3.642 3.960 0.001 0.000 0.221 66 G C 1.245 176.084 174.900 -0.102 0.000 1.117 66 G CA 0.263 45.270 45.100 -0.155 0.000 0.657 66 G HN 0.581 8.871 8.290 -0.000 0.000 0.512 67 R N -0.849 119.610 120.500 -0.069 0.000 2.175 67 R HA 0.382 4.722 4.340 0.001 0.000 0.202 67 R C 0.417 176.868 176.300 0.251 0.000 1.018 67 R CA 0.505 56.656 56.100 0.085 0.000 1.029 67 R CB 0.130 30.515 30.300 0.140 0.000 0.959 67 R HN 0.298 8.568 8.270 -0.000 0.000 0.480 68 F N 0.562 120.428 119.950 -0.140 0.000 2.497 68 F HA 0.352 4.879 4.527 0.000 0.000 0.331 68 F C 0.255 176.071 175.800 0.026 0.000 1.060 68 F CA -1.352 56.627 58.000 -0.034 0.000 0.989 68 F CB 1.762 40.815 39.000 0.089 0.000 1.245 68 F HN -0.217 8.083 8.300 -0.000 0.000 0.486 69 T N 0.970 115.724 114.554 0.334 0.000 3.050 69 T HA 0.579 4.930 4.350 0.001 0.000 0.310 69 T C -0.491 174.346 174.700 0.230 0.000 0.978 69 T CA -0.598 61.725 62.100 0.371 0.000 1.013 69 T CB 0.607 69.547 68.868 0.120 0.000 1.000 69 T HN 0.315 8.555 8.240 -0.000 0.000 0.447 70 I N 2.446 123.093 120.570 0.128 0.000 2.720 70 I HA 0.515 4.686 4.170 0.001 0.000 0.287 70 I C 0.381 176.548 176.117 0.082 0.000 1.090 70 I CA -0.403 60.899 61.300 0.003 0.000 1.384 70 I CB 1.080 39.008 38.000 -0.120 0.000 1.420 70 I HN 0.667 8.877 8.210 -0.000 0.000 0.575 71 S N 4.670 120.481 115.700 0.184 0.000 2.588 71 S HA 0.602 5.072 4.470 0.001 0.000 0.275 71 S C -0.795 174.009 174.600 0.340 0.000 1.130 71 S CA -0.938 57.382 58.200 0.199 0.000 0.855 71 S CB 2.722 66.006 63.200 0.139 0.000 1.116 71 S HN 0.602 8.912 8.310 -0.000 0.000 0.472 72 R N 1.376 122.047 120.500 0.285 0.000 2.532 72 R HA 0.411 4.752 4.340 0.001 0.000 0.297 72 R C -2.256 174.256 176.300 0.354 0.000 0.984 72 R CA -0.341 55.952 56.100 0.323 0.000 0.884 72 R CB 1.202 31.583 30.300 0.136 0.000 1.182 72 R HN 0.726 8.996 8.270 -0.000 0.000 0.442 73 D N 3.546 124.217 120.400 0.452 0.000 2.469 73 D HA 0.164 4.804 4.640 0.001 0.000 0.251 73 D C -0.455 176.039 176.300 0.324 0.000 1.173 73 D CA -0.397 53.807 54.000 0.340 0.000 0.882 73 D CB 1.404 42.447 40.800 0.405 0.000 1.129 73 D HN 0.531 8.901 8.370 -0.000 0.000 0.549 74 N N 2.457 121.321 118.700 0.274 0.000 2.132 74 N HA 0.046 4.786 4.740 0.001 0.000 0.187 74 N C -1.955 173.711 175.510 0.260 0.000 1.038 74 N CA 0.405 53.657 53.050 0.338 0.000 0.846 74 N CB -0.645 37.970 38.487 0.213 0.000 1.012 74 N HN 0.462 8.842 8.380 -0.000 0.000 0.429 75 P HA -0.240 4.180 4.420 -0.000 0.000 0.143 75 P C -0.281 177.070 177.300 0.085 0.000 0.769 75 P CA 0.964 64.129 63.100 0.108 0.000 1.101 75 P CB -0.361 31.386 31.700 0.078 0.000 1.400 76 K N 1.132 121.586 120.400 0.090 0.000 6.935 76 K HA -0.379 3.941 4.320 0.001 0.000 0.336 76 K C 1.049 177.623 176.600 -0.044 0.000 0.625 76 K CA 1.712 58.020 56.287 0.036 0.000 1.145 76 K CB -1.670 30.829 32.500 -0.000 0.000 0.792 76 K HN 0.530 8.780 8.250 -0.000 0.000 0.936 77 N N -0.949 117.693 118.700 -0.097 0.000 6.506 77 N HA -0.176 4.565 4.740 0.001 0.000 0.396 77 N C -0.989 174.229 175.510 -0.486 0.000 0.931 77 N CA 1.250 54.201 53.050 -0.164 0.000 1.204 77 N CB -0.406 38.113 38.487 0.052 0.000 0.829 77 N HN 0.602 8.982 8.380 -0.000 0.000 0.351 78 T N 0.196 114.587 114.554 -0.272 0.000 2.940 78 T HA 0.765 5.116 4.350 0.001 0.000 0.288 78 T C -0.798 173.884 174.700 -0.030 0.000 1.045 78 T CA -0.568 61.385 62.100 -0.246 0.000 1.018 78 T CB 1.890 70.662 68.868 -0.160 0.000 1.151 78 T HN 0.481 8.721 8.240 -0.000 0.000 0.529 79 L N 0.129 121.245 121.223 -0.178 0.000 2.322 79 L HA 0.906 5.246 4.340 0.001 0.000 0.252 79 L C -2.067 174.654 176.870 -0.249 0.000 1.055 79 L CA -0.780 54.120 54.840 0.101 0.000 0.849 79 L CB 1.680 43.933 42.059 0.322 0.000 1.446 79 L HN 0.689 8.919 8.230 -0.000 0.000 0.416 80 F N 1.269 121.399 119.950 0.300 0.000 2.726 80 F HA 0.835 5.363 4.527 0.000 0.000 0.324 80 F C -1.208 174.543 175.800 -0.081 0.000 1.140 80 F CA -0.681 57.397 58.000 0.130 0.000 0.964 80 F CB 1.979 41.001 39.000 0.036 0.000 1.399 80 F HN 0.510 8.810 8.300 -0.000 0.000 0.491 81 L N 1.992 123.143 121.223 -0.121 0.000 2.705 81 L HA 0.474 4.815 4.340 0.001 0.000 0.260 81 L C -1.738 174.915 176.870 -0.362 0.000 0.921 81 L CA -0.237 54.332 54.840 -0.452 0.000 0.948 81 L CB 1.910 43.317 42.059 -1.087 0.000 1.427 81 L HN 0.635 8.865 8.230 -0.000 0.000 0.432 82 Q N 4.849 124.472 119.800 -0.296 0.000 2.333 82 Q HA 0.815 5.155 4.340 0.001 0.000 0.268 82 Q C -1.616 174.137 176.000 -0.412 0.000 1.007 82 Q CA -0.197 55.447 55.803 -0.264 0.000 0.810 82 Q CB 1.682 30.336 28.738 -0.139 0.000 1.264 82 Q HN 0.767 9.037 8.270 -0.000 0.000 0.452 83 M N 1.820 121.109 119.600 -0.520 0.000 2.762 83 M HA 0.743 5.223 4.480 0.001 0.000 0.306 83 M C -0.518 175.613 176.300 -0.282 0.000 1.223 83 M CA -0.732 54.172 55.300 -0.661 0.000 0.896 83 M CB 2.591 34.623 32.600 -0.946 0.000 1.684 83 M HN 0.733 9.023 8.290 -0.000 0.000 0.491 84 T N -1.061 113.406 114.554 -0.146 0.000 2.831 84 T HA 0.270 4.620 4.350 0.001 0.000 0.333 84 T C -1.149 173.574 174.700 0.039 0.000 1.684 84 T CA -0.448 61.626 62.100 -0.043 0.000 1.049 84 T CB 0.991 69.834 68.868 -0.041 0.000 1.518 84 T HN 0.712 8.952 8.240 -0.000 0.000 0.491 85 S N 1.252 116.968 115.700 0.027 0.000 3.436 85 S HA -0.144 4.326 4.470 0.001 0.000 0.393 85 S C -0.079 174.572 174.600 0.084 0.000 0.914 85 S CA 0.275 58.501 58.200 0.044 0.000 1.317 85 S CB -1.415 61.809 63.200 0.040 0.000 0.920 85 S HN 0.558 8.868 8.310 -0.000 0.000 0.564 86 L N 2.698 123.963 121.223 0.070 0.000 2.334 86 L HA 0.294 4.635 4.340 0.001 0.000 0.286 86 L C 0.840 177.762 176.870 0.087 0.000 1.108 86 L CA -0.172 54.730 54.840 0.104 0.000 0.875 86 L CB 0.309 42.408 42.059 0.068 0.000 1.246 86 L HN 0.283 8.513 8.230 -0.000 0.000 0.439 87 R N 1.693 122.245 120.500 0.086 0.000 2.421 87 R HA 0.033 4.373 4.340 0.001 0.000 0.305 87 R C 1.496 177.838 176.300 0.071 0.000 1.039 87 R CA -0.078 56.058 56.100 0.060 0.000 1.003 87 R CB 0.384 30.709 30.300 0.043 0.000 0.959 87 R HN 0.519 8.789 8.270 -0.000 0.000 0.427 88 S N 2.575 118.312 115.700 0.062 0.000 2.453 88 S HA -0.244 4.226 4.470 0.001 0.000 0.250 88 S C 1.070 175.719 174.600 0.081 0.000 1.044 88 S CA 1.759 60.004 58.200 0.074 0.000 1.010 88 S CB -0.237 62.999 63.200 0.060 0.000 0.793 88 S HN 0.597 8.907 8.310 -0.000 0.000 0.493 89 E N 1.121 121.362 120.200 0.069 0.000 2.409 89 E HA -0.058 4.292 4.350 0.001 0.000 0.198 89 E C 0.590 177.243 176.600 0.088 0.000 1.024 89 E CA 0.639 57.078 56.400 0.064 0.000 0.861 89 E CB -0.154 29.572 29.700 0.044 0.000 0.788 89 E HN 0.478 8.838 8.360 -0.000 0.000 0.521 90 D N 0.224 120.702 120.400 0.130 0.000 2.434 90 D HA 0.016 4.657 4.640 0.001 0.000 0.232 90 D C -0.200 176.245 176.300 0.241 0.000 1.166 90 D CA 0.252 54.381 54.000 0.216 0.000 0.830 90 D CB 0.097 41.077 40.800 0.300 0.000 0.960 90 D HN -0.066 8.304 8.370 -0.000 0.000 0.497 91 T N 0.511 115.157 114.554 0.153 0.000 2.845 91 T HA 0.625 4.975 4.350 0.001 0.000 0.288 91 T C -0.058 174.692 174.700 0.083 0.000 0.980 91 T CA -0.225 61.965 62.100 0.149 0.000 1.071 91 T CB 1.314 70.255 68.868 0.122 0.000 0.941 91 T HN 0.263 8.503 8.240 -0.000 0.000 0.487 92 A N 3.257 126.107 122.820 0.050 0.000 2.462 92 A HA 0.592 4.912 4.320 0.001 0.000 0.299 92 A C -2.258 175.263 177.584 -0.106 0.000 1.047 92 A CA -0.731 51.247 52.037 -0.098 0.000 0.581 92 A CB 0.239 19.061 19.000 -0.297 0.000 1.466 92 A HN 0.575 8.725 8.150 -0.000 0.000 0.616 93 I N 0.641 121.074 120.570 -0.228 0.000 2.339 93 I HA 0.492 4.663 4.170 0.001 0.000 0.290 93 I C -0.895 174.917 176.117 -0.509 0.000 0.994 93 I CA -0.576 60.562 61.300 -0.271 0.000 1.191 93 I CB 0.641 38.428 38.000 -0.354 0.000 1.343 93 I HN 0.471 8.681 8.210 -0.000 0.000 0.458 94 Y N 5.718 125.922 120.300 -0.159 0.000 2.316 94 Y HA 0.419 4.969 4.550 0.000 0.000 0.331 94 Y C -0.291 175.598 175.900 -0.018 0.000 1.083 94 Y CA 0.220 58.359 58.100 0.065 0.000 1.206 94 Y CB 0.696 39.298 38.460 0.237 0.000 1.195 94 Y HN 0.407 8.687 8.280 -0.000 0.000 0.497 95 Y N 1.066 121.554 120.300 0.314 0.000 2.534 95 Y HA 0.443 4.993 4.550 0.001 0.000 0.329 95 Y C -0.115 175.625 175.900 -0.266 0.000 1.154 95 Y CA -1.070 57.102 58.100 0.121 0.000 1.192 95 Y CB 1.186 39.783 38.460 0.228 0.000 1.275 95 Y HN 0.510 8.790 8.280 -0.000 0.000 0.491 96 c N 3.003 121.407 118.600 -0.326 0.000 2.251 96 c HA 0.747 5.318 4.570 0.001 0.000 0.323 96 c C -0.375 173.455 174.090 -0.432 0.000 1.241 96 c CA -0.218 55.634 56.329 -0.796 0.000 1.601 96 c CB -1.876 40.245 42.510 -0.648 0.000 2.251 96 c HN 0.810 9.040 8.230 -0.000 0.000 0.488 97 T N 3.695 117.991 114.554 -0.429 0.000 2.912 97 T HA 0.474 4.824 4.350 0.001 0.000 0.299 97 T C -0.489 174.129 174.700 -0.137 0.000 1.052 97 T CA -0.702 61.188 62.100 -0.349 0.000 0.996 97 T CB 1.197 69.619 68.868 -0.743 0.000 1.070 97 T HN 0.914 9.154 8.240 -0.000 0.000 0.465 98 R N 0.880 121.310 120.500 -0.117 0.000 2.679 98 R HA 0.488 4.829 4.340 0.001 0.000 0.269 98 R C 1.311 177.590 176.300 -0.036 0.000 1.076 98 R CA 0.272 56.307 56.100 -0.109 0.000 1.160 98 R CB 0.207 30.349 30.300 -0.264 0.000 1.054 98 R HN 0.928 9.198 8.270 -0.000 0.000 0.507 99 G N 0.751 109.540 108.800 -0.019 0.000 2.830 99 G HA2 0.180 4.140 3.960 0.001 0.000 0.172 99 G HA3 0.180 4.140 3.960 0.001 0.000 0.172 99 G C 0.629 175.285 174.900 -0.407 0.000 1.782 99 G CA 0.717 45.784 45.100 -0.055 0.000 0.900 99 G HN 0.737 9.027 8.290 -0.000 0.000 0.389 100 G N -3.550 104.965 108.800 -0.476 0.000 4.234 100 G HA2 0.221 4.181 3.960 0.001 0.000 0.206 100 G HA3 0.221 4.181 3.960 0.001 0.000 0.206 100 G C 0.452 175.216 174.900 -0.227 0.000 1.204 100 G CA 1.129 45.765 45.100 -0.774 0.000 0.998 100 G HN 1.219 9.509 8.290 -0.000 0.000 0.417 101 T N 0.698 115.118 114.554 -0.224 0.000 4.194 101 T HA -0.158 4.193 4.350 0.001 0.000 0.339 101 T C 1.168 175.886 174.700 0.031 0.000 0.757 101 T CA 1.714 63.800 62.100 -0.024 0.000 1.931 101 T CB -1.477 67.484 68.868 0.155 0.000 1.886 101 T HN 1.277 9.517 8.240 -0.000 0.000 0.878 102 G N 0.287 109.090 108.800 0.005 0.000 3.380 102 G HA2 0.506 4.466 3.960 0.001 0.000 0.188 102 G HA3 0.506 4.466 3.960 0.001 0.000 0.188 102 G C 0.079 175.028 174.900 0.083 0.000 1.892 102 G CA 0.216 45.428 45.100 0.188 0.000 0.912 102 G HN 0.532 8.822 8.290 -0.000 0.000 0.609 103 T N 0.488 115.124 114.554 0.136 0.000 2.806 103 T HA 0.466 4.817 4.350 0.001 0.000 0.290 103 T C 0.401 175.105 174.700 0.007 0.000 0.966 103 T CA -0.328 61.804 62.100 0.053 0.000 1.060 103 T CB 1.593 70.487 68.868 0.042 0.000 0.927 103 T HN 0.519 8.759 8.240 -0.000 0.000 0.485 104 R N 1.239 121.737 120.500 -0.005 0.000 3.932 104 R HA -0.244 4.097 4.340 0.001 0.000 0.318 104 R C 0.817 177.104 176.300 -0.021 0.000 1.219 104 R CA 0.733 56.827 56.100 -0.009 0.000 0.889 104 R CB -2.076 28.221 30.300 -0.005 0.000 1.309 104 R HN 0.854 9.124 8.270 -0.000 0.000 0.537 105 S N -1.802 113.862 115.700 -0.060 0.000 2.931 105 S HA -0.161 4.310 4.470 0.001 0.000 0.271 105 S C 0.126 174.632 174.600 -0.157 0.000 1.309 105 S CA 0.883 59.041 58.200 -0.070 0.000 1.181 105 S CB -0.626 62.595 63.200 0.035 0.000 1.435 105 S HN 0.388 8.698 8.310 -0.000 0.000 0.670 106 L N 1.954 123.062 121.223 -0.192 0.000 2.452 106 L HA 0.525 4.865 4.340 0.001 0.000 0.267 106 L C -0.250 176.201 176.870 -0.699 0.000 1.188 106 L CA 0.122 54.850 54.840 -0.186 0.000 0.821 106 L CB 0.133 42.173 42.059 -0.032 0.000 1.102 106 L HN 0.194 8.424 8.230 -0.000 0.000 0.470 107 Y N 5.360 125.522 120.300 -0.229 0.000 2.504 107 Y HA 0.388 4.938 4.550 0.001 0.000 0.351 107 Y C -0.694 174.863 175.900 -0.572 0.000 0.988 107 Y CA 0.159 57.998 58.100 -0.435 0.000 1.239 107 Y CB -0.028 38.130 38.460 -0.502 0.000 1.128 107 Y HN 0.519 8.799 8.280 -0.000 0.000 0.525 108 Y N 1.329 121.141 120.300 -0.814 0.000 2.441 108 Y HA 0.685 5.236 4.550 0.000 0.000 0.334 108 Y C -2.046 173.403 175.900 -0.752 0.000 1.061 108 Y CA -2.222 55.372 58.100 -0.843 0.000 1.032 108 Y CB 0.770 38.965 38.460 -0.442 0.000 1.266 108 Y HN 0.211 8.491 8.280 -0.000 0.000 0.441 109 F N 3.648 123.516 119.950 -0.135 0.000 2.391 109 F HA 0.306 4.833 4.527 0.001 0.000 0.359 109 F C 1.002 176.758 175.800 -0.073 0.000 1.122 109 F CA -0.892 56.912 58.000 -0.326 0.000 1.120 109 F CB 0.846 39.420 39.000 -0.709 0.000 1.142 109 F HN 0.691 8.991 8.300 -0.000 0.000 0.483 110 D N 1.655 122.092 120.400 0.061 0.000 2.097 110 D HA -0.168 4.473 4.640 0.001 0.000 0.195 110 D C -0.574 175.803 176.300 0.128 0.000 0.989 110 D CA 1.848 55.915 54.000 0.111 0.000 0.827 110 D CB 0.112 40.878 40.800 -0.056 0.000 0.966 110 D HN 0.472 8.842 8.370 -0.000 0.000 0.456 111 Y N -1.121 119.129 120.300 -0.084 0.000 2.442 111 Y HA 0.335 4.886 4.550 0.001 0.000 0.330 111 Y C -1.634 174.223 175.900 -0.072 0.000 1.100 111 Y CA -1.234 56.879 58.100 0.022 0.000 1.034 111 Y CB 0.663 39.098 38.460 -0.042 0.000 1.285 111 Y HN -0.238 8.042 8.280 -0.000 0.000 0.440 112 W N 3.960 125.070 121.300 -0.316 0.000 2.436 112 W HA 0.741 5.402 4.660 0.000 0.000 0.347 112 W C 0.487 177.054 176.519 0.079 0.000 1.136 112 W CA -0.328 56.944 57.345 -0.122 0.000 1.286 112 W CB 0.860 30.143 29.460 -0.294 0.000 1.253 112 W HN 0.758 8.938 8.180 -0.000 0.000 0.617 113 G N 0.234 109.209 108.800 0.290 0.000 2.736 113 G HA2 0.376 4.336 3.960 0.001 0.000 0.229 113 G HA3 0.376 4.336 3.960 0.001 0.000 0.229 113 G C -0.114 174.958 174.900 0.286 0.000 1.380 113 G CA -0.344 44.903 45.100 0.245 0.000 1.040 113 G HN 0.390 8.680 8.290 -0.000 0.000 0.568 114 Q N -1.171 118.771 119.800 0.236 0.000 2.423 114 Q HA 0.459 4.799 4.340 0.001 0.000 0.231 114 Q C 0.893 177.038 176.000 0.241 0.000 0.894 114 Q CA 0.586 56.552 55.803 0.272 0.000 0.938 114 Q CB 0.677 29.513 28.738 0.163 0.000 1.079 114 Q HN 1.217 9.487 8.270 -0.000 0.000 0.552 115 G N -0.604 108.277 108.800 0.135 0.000 2.357 115 G HA2 0.460 4.420 3.960 0.001 0.000 0.643 115 G HA3 0.460 4.420 3.960 0.001 0.000 0.643 115 G C -1.674 173.267 174.900 0.069 0.000 1.358 115 G CA -0.557 44.557 45.100 0.023 0.000 0.986 115 G HN 0.520 8.810 8.290 -0.000 0.000 0.620 116 A N -0.754 122.129 122.820 0.105 0.000 2.539 116 A HA 1.010 5.331 4.320 0.001 0.000 0.296 116 A C -0.119 177.527 177.584 0.104 0.000 1.073 116 A CA 0.469 52.556 52.037 0.083 0.000 0.700 116 A CB 2.020 21.077 19.000 0.095 0.000 1.296 116 A HN 2.188 10.338 8.150 -0.000 0.000 0.405 117 T N 0.158 114.759 114.554 0.078 0.000 2.932 117 T HA 0.668 5.018 4.350 0.001 0.000 0.289 117 T C -1.502 173.272 174.700 0.122 0.000 1.039 117 T CA -0.399 61.760 62.100 0.098 0.000 1.024 117 T CB 0.947 69.827 68.868 0.020 0.000 1.090 117 T HN 0.914 9.154 8.240 -0.000 0.000 0.496 118 L N 4.085 125.420 121.223 0.186 0.000 2.372 118 L HA 0.626 4.966 4.340 0.001 0.000 0.274 118 L C -0.933 176.011 176.870 0.124 0.000 0.988 118 L CA -0.447 54.481 54.840 0.148 0.000 0.833 118 L CB 1.192 43.367 42.059 0.193 0.000 1.236 118 L HN 0.681 8.911 8.230 -0.000 0.000 0.410 119 I N 5.847 126.464 120.570 0.080 0.000 2.281 119 I HA 0.186 4.356 4.170 0.001 0.000 0.293 119 I C -0.319 175.873 176.117 0.125 0.000 1.085 119 I CA -0.518 60.840 61.300 0.098 0.000 1.257 119 I CB 1.094 39.120 38.000 0.044 0.000 1.430 119 I HN 0.241 8.451 8.210 -0.000 0.000 0.489 120 V N 5.939 125.933 119.914 0.134 0.000 2.352 120 V HA 0.267 4.387 4.120 0.001 0.000 0.253 120 V C 0.344 176.520 176.094 0.136 0.000 1.083 120 V CA 0.312 62.684 62.300 0.120 0.000 0.993 120 V CB -0.094 31.798 31.823 0.116 0.000 1.111 120 V HN 0.792 8.982 8.190 -0.000 0.000 0.490 121 S N 2.752 118.542 115.700 0.149 0.000 2.586 121 S HA 0.351 4.821 4.470 0.001 0.000 0.277 121 S C 0.713 175.376 174.600 0.104 0.000 1.131 121 S CA 0.089 58.370 58.200 0.135 0.000 0.848 121 S CB 1.863 65.209 63.200 0.242 0.000 1.091 121 S HN 0.638 8.948 8.310 -0.000 0.000 0.453 122 S N 2.632 118.341 115.700 0.015 0.000 2.387 122 S HA 0.463 4.933 4.470 0.001 0.000 0.221 122 S C 1.213 175.763 174.600 -0.083 0.000 1.041 122 S CA 0.368 58.566 58.200 -0.003 0.000 0.959 122 S CB -1.099 62.086 63.200 -0.025 0.000 0.843 122 S HN 1.874 10.184 8.310 -0.000 0.000 0.488 123 A N 2.082 124.748 122.820 -0.255 0.000 2.412 123 A HA 0.060 4.380 4.320 0.001 0.000 0.275 123 A C 0.537 178.051 177.584 -0.116 0.000 1.184 123 A CA 1.147 52.913 52.037 -0.452 0.000 1.268 123 A CB -0.733 17.444 19.000 -1.371 0.000 0.838 123 A HN 0.497 8.647 8.150 -0.000 0.000 0.375 124 T N 1.692 116.198 114.554 -0.080 0.000 2.912 124 T HA 0.594 4.945 4.350 0.001 0.000 0.280 124 T C 0.547 175.390 174.700 0.237 0.000 0.989 124 T CA 0.260 62.417 62.100 0.094 0.000 0.995 124 T CB 0.528 69.430 68.868 0.056 0.000 1.077 124 T HN 0.861 9.101 8.240 -0.000 0.000 0.531 125 T N 2.742 117.488 114.554 0.320 0.000 2.904 125 T HA 0.506 4.856 4.350 0.001 0.000 0.290 125 T C -0.432 174.490 174.700 0.370 0.000 1.018 125 T CA -0.319 62.037 62.100 0.427 0.000 1.075 125 T CB 0.950 69.999 68.868 0.301 0.000 0.986 125 T HN 0.671 8.911 8.240 -0.000 0.000 0.523 126 T N 1.816 116.637 114.554 0.445 0.000 2.928 126 T HA 0.633 4.983 4.350 0.001 0.000 0.296 126 T C 0.196 175.047 174.700 0.251 0.000 1.000 126 T CA -0.624 61.675 62.100 0.331 0.000 0.989 126 T CB 1.553 70.707 68.868 0.477 0.000 1.005 126 T HN 0.756 8.996 8.240 -0.000 0.000 0.442 127 A N 5.031 127.949 122.820 0.163 0.000 2.445 127 A HA 1.001 5.321 4.320 0.001 0.000 0.270 127 A C -2.393 175.179 177.584 -0.020 0.000 1.495 127 A CA -1.021 51.101 52.037 0.141 0.000 0.840 127 A CB 0.168 19.258 19.000 0.149 0.000 1.472 127 A HN 0.616 8.766 8.150 -0.000 0.000 0.541 128 P HA 0.427 4.848 4.420 -0.000 0.000 0.305 128 P C -1.563 175.650 177.300 -0.144 0.000 1.255 128 P CA -0.552 62.489 63.100 -0.098 0.000 1.219 128 P CB 2.041 33.695 31.700 -0.077 0.000 1.825 129 S N -0.328 115.255 115.700 -0.195 0.000 2.442 129 S HA 0.396 4.866 4.470 0.001 0.000 0.297 129 S C 0.071 174.457 174.600 -0.356 0.000 1.131 129 S CA -0.551 57.415 58.200 -0.390 0.000 1.092 129 S CB 0.519 63.304 63.200 -0.690 0.000 0.998 129 S HN 0.189 8.499 8.310 -0.000 0.000 0.478 130 V N 5.047 124.733 119.914 -0.379 0.000 2.320 130 V HA 0.304 4.424 4.120 0.001 0.000 0.265 130 V C -1.089 174.869 176.094 -0.226 0.000 1.048 130 V CA -0.380 61.785 62.300 -0.225 0.000 0.865 130 V CB -0.772 30.939 31.823 -0.186 0.000 1.043 130 V HN 0.742 8.932 8.190 -0.000 0.000 0.474 131 Y N 6.542 126.839 120.300 -0.006 0.000 2.409 131 Y HA 0.561 5.111 4.550 0.001 0.000 0.339 131 Y C -2.103 173.807 175.900 0.016 0.000 1.033 131 Y CA -2.807 55.295 58.100 0.003 0.000 1.094 131 Y CB 2.387 40.850 38.460 0.006 0.000 1.210 131 Y HN 0.378 8.658 8.280 -0.000 0.000 0.456 132 P HA 0.304 4.724 4.420 -0.000 0.000 0.294 132 P C -1.183 176.185 177.300 0.114 0.000 1.294 132 P CA -0.283 62.893 63.100 0.126 0.000 0.827 132 P CB 1.588 33.353 31.700 0.110 0.000 0.992 133 L N 3.794 125.076 121.223 0.099 0.000 2.272 133 L HA 0.576 4.916 4.340 0.001 0.000 0.289 133 L C 0.430 177.311 176.870 0.018 0.000 1.032 133 L CA -0.728 54.147 54.840 0.058 0.000 0.810 133 L CB 1.707 43.796 42.059 0.050 0.000 1.205 133 L HN 0.192 8.422 8.230 -0.000 0.000 0.422 134 V N 5.169 125.094 119.914 0.018 0.000 3.007 134 V HA 0.619 4.739 4.120 0.001 0.000 0.311 134 V C -2.143 173.960 176.094 0.015 0.000 1.120 134 V CA -1.480 60.816 62.300 -0.005 0.000 0.980 134 V CB 2.676 34.538 31.823 0.065 0.000 1.033 134 V HN 0.598 8.788 8.190 -0.000 0.000 0.429 135 P HA 0.331 4.751 4.420 -0.000 0.000 0.274 135 P C 0.750 178.157 177.300 0.179 0.000 1.260 135 P CA 0.381 63.534 63.100 0.089 0.000 0.793 135 P CB 0.649 32.412 31.700 0.104 0.000 1.048 136 G N -1.243 107.647 108.800 0.151 0.000 2.421 136 G HA2 0.022 3.982 3.960 0.001 0.000 0.217 136 G HA3 0.022 3.982 3.960 0.001 0.000 0.217 136 G C 0.041 175.062 174.900 0.202 0.000 1.143 136 G CA 0.661 45.845 45.100 0.140 0.000 0.784 136 G HN 0.653 8.943 8.290 -0.000 0.000 0.541 137 C N -3.642 115.842 119.300 0.307 0.000 2.770 137 C HA 0.241 4.701 4.460 0.001 0.000 0.270 137 C C 1.626 176.811 174.990 0.325 0.000 1.212 137 C CA -0.126 59.097 59.018 0.342 0.000 1.208 137 C CB 0.094 27.817 27.740 -0.028 0.000 1.266 137 C HN 1.133 9.363 8.230 -0.000 0.000 0.447 138 S N -0.175 115.690 115.700 0.275 0.000 2.474 138 S HA -0.299 4.171 4.470 0.001 0.000 0.267 138 S C -0.034 174.664 174.600 0.164 0.000 1.360 138 S CA 2.354 60.670 58.200 0.194 0.000 1.530 138 S CB -1.668 61.578 63.200 0.077 0.000 2.034 138 S HN 1.161 9.471 8.310 -0.000 0.000 0.755 139 D N 0.542 121.030 120.400 0.147 0.000 2.225 139 D HA 0.583 5.223 4.640 0.001 0.000 0.249 139 D C 0.434 176.756 176.300 0.037 0.000 1.052 139 D CA -0.128 53.916 54.000 0.074 0.000 0.909 139 D CB 1.623 42.459 40.800 0.060 0.000 1.186 139 D HN 0.273 8.643 8.370 -0.000 0.000 0.431 140 T N 0.520 115.086 114.554 0.019 0.000 1.812 140 T HA 0.066 4.416 4.350 0.001 0.000 0.173 140 T C 1.691 176.393 174.700 0.002 0.000 0.710 140 T CA -0.127 61.971 62.100 -0.003 0.000 1.065 140 T CB -0.153 68.707 68.868 -0.012 0.000 3.214 140 T HN 0.380 8.620 8.240 -0.000 0.000 0.403 141 S N 0.331 116.032 115.700 0.000 0.000 2.436 141 S HA 0.280 4.750 4.470 0.001 0.000 0.228 141 S C 1.138 175.744 174.600 0.009 0.000 1.014 141 S CA 0.858 59.059 58.200 0.003 0.000 0.950 141 S CB -0.161 63.039 63.200 -0.000 0.000 0.784 141 S HN 0.696 9.006 8.310 -0.000 0.000 0.504 142 G N 0.628 109.435 108.800 0.011 0.000 3.366 142 G HA2 0.456 4.416 3.960 0.001 0.000 0.179 142 G HA3 0.456 4.416 3.960 0.001 0.000 0.179 142 G C -0.681 174.235 174.900 0.027 0.000 1.143 142 G CA -0.457 44.654 45.100 0.018 0.000 0.810 142 G HN 0.264 8.553 8.290 -0.000 0.000 0.697 143 S N 0.171 115.887 115.700 0.026 0.000 2.566 143 S HA 0.439 4.909 4.470 0.001 0.000 0.280 143 S C 0.400 175.014 174.600 0.025 0.000 1.343 143 S CA 1.027 59.247 58.200 0.033 0.000 1.036 143 S CB 0.617 63.833 63.200 0.026 0.000 0.866 143 S HN 1.504 9.814 8.310 -0.000 0.000 0.526 144 S N -0.432 115.290 115.700 0.036 0.000 3.218 144 S HA -0.065 4.406 4.470 0.001 0.000 0.840 144 S C -0.916 173.700 174.600 0.026 0.000 1.043 144 S CA -0.042 58.169 58.200 0.018 0.000 1.212 144 S CB -0.671 62.521 63.200 -0.013 0.000 0.842 144 S HN 1.030 9.340 8.310 -0.000 0.000 0.264 145 V N 2.508 122.423 119.914 0.002 0.000 2.876 145 V HA 0.793 4.913 4.120 0.001 0.000 0.312 145 V C 0.071 176.080 176.094 -0.143 0.000 1.085 145 V CA -0.798 61.477 62.300 -0.042 0.000 0.945 145 V CB 2.195 34.031 31.823 0.021 0.000 1.017 145 V HN 0.909 9.099 8.190 -0.000 0.000 0.428 146 T N 5.366 119.818 114.554 -0.171 0.000 2.788 146 T HA 0.496 4.846 4.350 0.001 0.000 0.296 146 T C -0.275 174.251 174.700 -0.290 0.000 1.009 146 T CA -0.323 61.644 62.100 -0.222 0.000 0.949 146 T CB 0.730 69.499 68.868 -0.165 0.000 0.946 146 T HN 0.325 8.565 8.240 -0.000 0.000 0.453 147 L N 2.700 123.679 121.223 -0.406 0.000 2.466 147 L HA 0.737 5.077 4.340 0.001 0.000 0.257 147 L C 0.976 177.688 176.870 -0.262 0.000 1.189 147 L CA 0.432 55.021 54.840 -0.417 0.000 0.813 147 L CB 0.718 42.479 42.059 -0.498 0.000 1.118 147 L HN 0.810 9.040 8.230 -0.000 0.000 0.471 148 G N 0.146 108.916 108.800 -0.050 0.000 2.690 148 G HA2 0.544 4.504 3.960 0.001 0.000 0.291 148 G HA3 0.544 4.504 3.960 0.001 0.000 0.291 148 G C -1.946 173.132 174.900 0.296 0.000 1.403 148 G CA -0.239 44.914 45.100 0.089 0.000 0.864 148 G HN 0.657 8.947 8.290 -0.000 0.000 0.480 149 c N 0.277 119.095 118.600 0.363 0.000 2.707 149 c HA 0.801 5.371 4.570 0.001 0.000 0.313 149 c C -0.730 173.452 174.090 0.154 0.000 1.209 149 c CA -0.701 55.755 56.329 0.210 0.000 1.635 149 c CB 1.515 44.064 42.510 0.066 0.000 2.206 149 c HN 0.658 8.888 8.230 -0.000 0.000 0.485 150 L N 3.843 125.147 121.223 0.134 0.000 2.349 150 L HA 0.666 5.006 4.340 0.001 0.000 0.278 150 L C -0.765 176.182 176.870 0.128 0.000 0.996 150 L CA -0.106 54.820 54.840 0.144 0.000 0.825 150 L CB 1.435 43.596 42.059 0.169 0.000 1.243 150 L HN 0.555 8.785 8.230 -0.000 0.000 0.412 151 V N 7.135 127.113 119.914 0.106 0.000 2.334 151 V HA 0.540 4.661 4.120 0.001 0.000 0.281 151 V C -0.677 175.512 176.094 0.158 0.000 1.016 151 V CA -0.368 61.977 62.300 0.076 0.000 0.832 151 V CB 1.337 33.181 31.823 0.035 0.000 0.999 151 V HN 0.879 9.069 8.190 -0.000 0.000 0.439 152 K N 5.157 125.629 120.400 0.120 0.000 2.501 152 K HA 0.667 4.987 4.320 0.001 0.000 0.252 152 K C -0.002 176.601 176.600 0.006 0.000 0.934 152 K CA 0.112 56.457 56.287 0.096 0.000 0.797 152 K CB 1.879 34.461 32.500 0.137 0.000 1.270 152 K HN 1.401 9.651 8.250 -0.000 0.000 0.431 153 G N 3.317 112.043 108.800 -0.124 0.000 2.155 153 G HA2 -0.160 3.800 3.960 0.001 0.000 0.135 153 G HA3 -0.160 3.800 3.960 0.001 0.000 0.135 153 G C -0.871 173.785 174.900 -0.406 0.000 1.023 153 G CA 0.221 45.124 45.100 -0.330 0.000 0.688 153 G HN 0.652 8.942 8.290 -0.000 0.000 0.499 154 Y N -1.580 118.732 120.300 0.021 0.000 2.654 154 Y HA 0.915 5.465 4.550 0.001 0.000 0.327 154 Y C -0.214 176.077 175.900 0.652 0.000 1.122 154 Y CA -2.310 55.855 58.100 0.109 0.000 1.227 154 Y CB 1.307 39.626 38.460 -0.235 0.000 1.370 154 Y HN 0.604 8.884 8.280 -0.000 0.000 0.528 155 F N 0.793 121.114 119.950 0.617 0.000 2.746 155 F HA 0.515 5.043 4.527 0.001 0.000 0.311 155 F C -3.197 172.869 175.800 0.444 0.000 1.135 155 F CA -2.010 56.337 58.000 0.578 0.000 0.954 155 F CB 1.865 41.154 39.000 0.482 0.000 1.276 155 F HN 0.468 8.768 8.300 -0.000 0.000 0.440 156 P HA 0.335 4.755 4.420 -0.000 0.000 0.276 156 P C -0.545 176.688 177.300 -0.112 0.000 1.252 156 P CA 0.030 62.593 63.100 -0.893 0.000 0.802 156 P CB 1.420 32.455 31.700 -1.109 0.000 1.035 157 G N 1.324 109.984 108.800 -0.233 0.000 2.562 157 G HA2 0.465 4.425 3.960 0.001 0.000 0.275 157 G HA3 0.465 4.425 3.960 0.001 0.000 0.275 157 G C -1.949 172.874 174.900 -0.128 0.000 1.196 157 G CA -0.994 43.991 45.100 -0.192 0.000 0.908 157 G HN 0.448 8.738 8.290 -0.000 0.000 0.524 158 P HA 0.539 4.959 4.420 -0.000 0.000 0.307 158 P C -0.983 176.241 177.300 -0.127 0.000 1.306 158 P CA -0.449 62.571 63.100 -0.133 0.000 0.742 158 P CB 1.188 32.830 31.700 -0.098 0.000 1.349 159 V N -1.562 118.214 119.914 -0.230 0.000 3.077 159 V HA 0.468 4.588 4.120 0.001 0.000 0.299 159 V C -0.901 175.093 176.094 -0.167 0.000 1.276 159 V CA -0.327 61.807 62.300 -0.275 0.000 0.993 159 V CB 2.327 33.762 31.823 -0.647 0.000 1.076 159 V HN 0.992 9.182 8.190 -0.000 0.000 0.434 160 T N 1.248 115.725 114.554 -0.128 0.000 2.886 160 T HA 0.823 5.173 4.350 0.001 0.000 0.292 160 T C -1.143 173.492 174.700 -0.109 0.000 1.012 160 T CA -0.702 61.344 62.100 -0.090 0.000 0.982 160 T CB 1.679 70.506 68.868 -0.069 0.000 1.018 160 T HN 0.466 8.706 8.240 -0.000 0.000 0.451 161 V N 2.667 122.523 119.914 -0.097 0.000 2.459 161 V HA 0.677 4.798 4.120 0.001 0.000 0.295 161 V C 0.043 176.025 176.094 -0.187 0.000 1.029 161 V CA -0.718 61.472 62.300 -0.183 0.000 0.874 161 V CB 1.651 33.365 31.823 -0.181 0.000 0.985 161 V HN 0.974 9.164 8.190 -0.000 0.000 0.438 162 K N 1.845 122.086 120.400 -0.265 0.000 2.395 162 K HA 0.611 4.932 4.320 0.001 0.000 0.245 162 K C -0.996 175.455 176.600 -0.249 0.000 1.017 162 K CA -0.384 55.831 56.287 -0.120 0.000 0.852 162 K CB 2.581 35.061 32.500 -0.034 0.000 1.311 162 K HN 0.587 8.837 8.250 -0.000 0.000 0.452 163 W N -0.484 120.814 121.300 -0.004 0.000 4.478 163 W HA 0.307 4.968 4.660 0.000 0.000 0.466 163 W C -0.180 176.351 176.519 0.020 0.000 3.462 163 W CA -0.249 57.094 57.345 -0.004 0.000 1.151 163 W CB 0.433 29.878 29.460 -0.024 0.000 2.118 163 W HN 0.284 8.464 8.180 -0.000 0.000 0.352 164 N N 0.841 119.775 118.700 0.390 0.000 2.540 164 N HA 0.080 4.820 4.740 0.001 0.000 0.275 164 N C -1.990 173.642 175.510 0.204 0.000 1.053 164 N CA -0.424 52.773 53.050 0.244 0.000 0.876 164 N CB 0.933 39.529 38.487 0.182 0.000 1.284 164 N HN 0.083 8.463 8.380 -0.000 0.000 0.518 165 Y N 2.579 122.932 120.300 0.089 0.000 2.585 165 Y HA 0.400 4.951 4.550 0.000 0.000 0.354 165 Y C 0.587 176.516 175.900 0.050 0.000 1.024 165 Y CA -0.417 57.718 58.100 0.059 0.000 1.321 165 Y CB 0.162 38.650 38.460 0.046 0.000 1.151 165 Y HN 0.607 8.887 8.280 -0.000 0.000 0.525 166 G N 4.015 113.028 108.800 0.354 0.000 5.338 166 G HA2 0.360 4.320 3.960 0.001 0.000 0.198 166 G HA3 0.360 4.320 3.960 0.001 0.000 0.198 166 G C 0.813 175.789 174.900 0.126 0.000 0.708 166 G CA -0.064 45.168 45.100 0.220 0.000 0.626 166 G HN 0.953 9.243 8.290 -0.000 0.000 0.419 167 A N -0.261 122.644 122.820 0.143 0.000 2.159 167 A HA -0.258 4.062 4.320 0.001 0.000 0.302 167 A C 1.940 179.544 177.584 0.034 0.000 1.355 167 A CA 1.860 53.938 52.037 0.067 0.000 1.133 167 A CB -0.362 18.703 19.000 0.108 0.000 0.720 167 A HN 0.805 8.955 8.150 -0.000 0.000 0.401 168 L N -1.595 119.648 121.223 0.033 0.000 2.554 168 L HA 0.314 4.654 4.340 0.001 0.000 0.226 168 L C 0.918 177.785 176.870 -0.004 0.000 1.137 168 L CA 1.514 56.367 54.840 0.021 0.000 0.863 168 L CB -0.335 41.745 42.059 0.036 0.000 0.985 168 L HN 0.634 8.864 8.230 -0.000 0.000 0.451 169 S N -1.325 114.360 115.700 -0.024 0.000 3.208 169 S HA 0.193 4.664 4.470 0.001 0.000 0.204 169 S C -0.619 173.940 174.600 -0.069 0.000 0.467 169 S CA -0.154 58.013 58.200 -0.056 0.000 0.712 169 S CB -0.844 62.324 63.200 -0.053 0.000 0.789 169 S HN 0.259 8.569 8.310 -0.000 0.000 0.704 170 S N 1.307 116.946 115.700 -0.102 0.000 3.907 170 S HA 0.352 4.822 4.470 0.001 0.000 0.094 170 S C -0.094 174.422 174.600 -0.139 0.000 0.860 170 S CA -0.432 57.692 58.200 -0.127 0.000 0.828 170 S CB -0.593 62.563 63.200 -0.074 0.000 1.108 170 S HN 1.539 9.849 8.310 -0.000 0.000 0.715 171 G N 0.609 109.321 108.800 -0.146 0.000 2.348 171 G HA2 0.650 4.611 3.960 0.001 0.000 0.312 171 G HA3 0.650 4.611 3.960 0.001 0.000 0.312 171 G C -0.615 174.184 174.900 -0.167 0.000 1.126 171 G CA -0.752 44.271 45.100 -0.129 0.000 0.865 171 G HN 0.834 9.124 8.290 -0.000 0.000 0.474 172 V N 3.206 123.036 119.914 -0.140 0.000 2.667 172 V HA 0.750 4.871 4.120 0.001 0.000 0.308 172 V C -0.826 175.211 176.094 -0.096 0.000 1.048 172 V CA -1.206 60.973 62.300 -0.202 0.000 0.928 172 V CB 1.844 33.615 31.823 -0.087 0.000 1.004 172 V HN 0.636 8.826 8.190 -0.000 0.000 0.444 173 R N 3.888 124.336 120.500 -0.086 0.000 2.310 173 R HA 0.407 4.747 4.340 0.001 0.000 0.316 173 R C -0.456 175.860 176.300 0.027 0.000 1.004 173 R CA -0.361 55.723 56.100 -0.028 0.000 0.900 173 R CB 1.013 31.293 30.300 -0.032 0.000 1.152 173 R HN 0.772 9.042 8.270 -0.000 0.000 0.513 174 T N 2.275 116.867 114.554 0.064 0.000 2.794 174 T HA 0.186 4.536 4.350 0.001 0.000 0.296 174 T C 0.574 175.315 174.700 0.067 0.000 0.949 174 T CA -0.045 62.110 62.100 0.091 0.000 1.101 174 T CB 1.486 70.409 68.868 0.092 0.000 0.905 174 T HN 0.079 8.319 8.240 -0.000 0.000 0.516 175 V N 3.257 123.215 119.914 0.074 0.000 3.262 175 V HA 0.358 4.478 4.120 0.001 0.000 0.313 175 V C 0.632 176.769 176.094 0.073 0.000 1.070 175 V CA -0.398 61.939 62.300 0.061 0.000 1.049 175 V CB 1.965 33.821 31.823 0.056 0.000 1.157 175 V HN 0.986 9.176 8.190 -0.000 0.000 0.454 176 S N 1.415 117.156 115.700 0.069 0.000 2.603 176 S HA 0.243 4.713 4.470 0.001 0.000 0.268 176 S C 0.033 174.700 174.600 0.111 0.000 1.317 176 S CA -0.467 57.783 58.200 0.084 0.000 1.012 176 S CB 1.017 64.260 63.200 0.071 0.000 0.926 176 S HN 0.801 9.111 8.310 -0.000 0.000 0.539 177 S N 1.244 117.031 115.700 0.145 0.000 2.552 177 S HA 0.184 4.654 4.470 0.001 0.000 0.289 177 S C -0.206 174.503 174.600 0.182 0.000 1.304 177 S CA -0.454 57.866 58.200 0.201 0.000 1.063 177 S CB 0.530 63.888 63.200 0.262 0.000 0.848 177 S HN 0.575 8.885 8.310 -0.000 0.000 0.499 178 V N 6.441 126.445 119.914 0.151 0.000 2.407 178 V HA 0.549 4.669 4.120 0.001 0.000 0.291 178 V C -0.604 175.534 176.094 0.073 0.000 1.018 178 V CA -0.921 61.439 62.300 0.100 0.000 0.842 178 V CB 1.302 33.159 31.823 0.057 0.000 0.996 178 V HN 0.813 9.003 8.190 -0.000 0.000 0.426 179 L N 6.931 128.157 121.223 0.006 0.000 2.276 179 L HA 0.696 5.036 4.340 0.001 0.000 0.286 179 L C -0.642 176.121 176.870 -0.177 0.000 1.061 179 L CA 0.123 54.818 54.840 -0.241 0.000 0.807 179 L CB 0.985 42.539 42.059 -0.842 0.000 1.177 179 L HN 0.862 9.092 8.230 -0.000 0.000 0.429 180 Q N 4.216 123.940 119.800 -0.127 0.000 2.268 180 Q HA 0.258 4.599 4.340 0.001 0.000 0.266 180 Q C -0.534 175.434 176.000 -0.054 0.000 1.006 180 Q CA -0.078 55.677 55.803 -0.080 0.000 0.824 180 Q CB 2.082 30.799 28.738 -0.035 0.000 1.306 180 Q HN 0.862 9.132 8.270 -0.000 0.000 0.424 181 S N 2.681 118.336 115.700 -0.076 0.000 3.586 181 S HA -0.187 4.283 4.470 0.001 0.000 0.309 181 S C 0.847 175.373 174.600 -0.124 0.000 1.195 181 S CA 1.943 60.102 58.200 -0.068 0.000 0.895 181 S CB -1.731 61.467 63.200 -0.003 0.000 0.983 181 S HN 1.623 9.933 8.310 -0.000 0.000 0.563 182 G N -0.185 108.491 108.800 -0.208 0.000 2.956 182 G HA2 -0.268 3.692 3.960 0.001 0.000 0.210 182 G HA3 -0.268 3.692 3.960 0.001 0.000 0.210 182 G C 0.137 174.858 174.900 -0.298 0.000 1.316 182 G CA -0.079 44.800 45.100 -0.368 0.000 0.819 182 G HN 0.622 8.912 8.290 -0.000 0.000 0.544 183 F N 0.834 120.705 119.950 -0.133 0.000 2.435 183 F HA 0.618 5.146 4.527 0.000 0.000 0.316 183 F C 0.839 176.534 175.800 -0.175 0.000 1.220 183 F CA -0.471 57.491 58.000 -0.064 0.000 1.241 183 F CB 0.497 39.467 39.000 -0.050 0.000 1.234 183 F HN 0.191 8.491 8.300 -0.000 0.000 0.569 184 Y N -0.205 119.904 120.300 -0.319 0.000 2.570 184 Y HA 0.499 5.049 4.550 0.001 0.000 0.345 184 Y C -0.049 175.341 175.900 -0.849 0.000 1.014 184 Y CA -0.915 56.858 58.100 -0.546 0.000 1.063 184 Y CB 2.149 40.236 38.460 -0.621 0.000 1.272 184 Y HN 0.466 8.746 8.280 -0.000 0.000 0.477 185 S N 1.762 117.365 115.700 -0.162 0.000 2.618 185 S HA 0.887 5.357 4.470 0.001 0.000 0.277 185 S C -2.002 172.671 174.600 0.122 0.000 1.138 185 S CA -0.544 57.638 58.200 -0.031 0.000 0.844 185 S CB 1.378 64.585 63.200 0.013 0.000 1.127 185 S HN 0.730 9.040 8.310 -0.000 0.000 0.474 186 L N -0.090 121.237 121.223 0.173 0.000 2.794 186 L HA 0.876 5.217 4.340 0.001 0.000 0.261 186 L C -0.782 176.168 176.870 0.133 0.000 0.989 186 L CA -0.653 54.281 54.840 0.157 0.000 0.900 186 L CB 1.174 43.344 42.059 0.186 0.000 1.473 186 L HN 0.688 8.918 8.230 -0.000 0.000 0.414 187 S N -0.410 115.360 115.700 0.116 0.000 2.634 187 S HA 0.925 5.395 4.470 0.001 0.000 0.296 187 S C -0.592 174.096 174.600 0.147 0.000 1.104 187 S CA -0.394 57.880 58.200 0.123 0.000 0.920 187 S CB 1.682 64.942 63.200 0.100 0.000 1.111 187 S HN 1.166 9.476 8.310 -0.000 0.000 0.493 188 S N 1.065 116.899 115.700 0.223 0.000 2.557 188 S HA 0.716 5.187 4.470 0.001 0.000 0.291 188 S C -1.333 173.435 174.600 0.280 0.000 1.116 188 S CA -0.747 57.657 58.200 0.340 0.000 0.992 188 S CB 0.285 63.832 63.200 0.578 0.000 1.028 188 S HN 0.638 8.948 8.310 -0.000 0.000 0.484 189 L N 3.884 125.117 121.223 0.018 0.000 2.333 189 L HA 0.797 5.137 4.340 0.001 0.000 0.263 189 L C -0.580 176.018 176.870 -0.453 0.000 1.014 189 L CA -0.900 53.824 54.840 -0.193 0.000 0.820 189 L CB 1.580 43.562 42.059 -0.127 0.000 1.352 189 L HN 0.571 8.801 8.230 -0.000 0.000 0.421 190 V N 0.553 120.094 119.914 -0.622 0.000 2.851 190 V HA 0.566 4.686 4.120 0.001 0.000 0.307 190 V C -0.502 175.356 176.094 -0.394 0.000 1.129 190 V CA -0.292 61.667 62.300 -0.568 0.000 0.932 190 V CB 2.561 33.903 31.823 -0.802 0.000 1.024 190 V HN 0.952 9.142 8.190 -0.000 0.000 0.426 191 T N 3.930 118.324 114.554 -0.266 0.000 2.743 191 T HA 0.638 4.988 4.350 0.001 0.000 0.293 191 T C -0.307 174.303 174.700 -0.151 0.000 0.945 191 T CA -0.362 61.628 62.100 -0.183 0.000 1.030 191 T CB 1.036 69.832 68.868 -0.120 0.000 0.912 191 T HN 1.327 9.567 8.240 -0.000 0.000 0.483 192 V N 0.288 120.127 119.914 -0.124 0.000 2.495 192 V HA 0.617 4.737 4.120 0.001 0.000 0.298 192 V C -3.082 173.014 176.094 0.004 0.000 1.031 192 V CA -3.480 58.788 62.300 -0.053 0.000 0.871 192 V CB 1.366 33.178 31.823 -0.018 0.000 0.988 192 V HN 0.525 8.715 8.190 -0.000 0.000 0.432 193 P HA 0.072 4.492 4.420 -0.000 0.000 0.253 193 P C 1.043 178.384 177.300 0.067 0.000 1.170 193 P CA 0.615 63.733 63.100 0.031 0.000 0.806 193 P CB 0.375 32.086 31.700 0.019 0.000 0.775 194 S N 1.122 116.869 115.700 0.078 0.000 2.537 194 S HA -0.148 4.322 4.470 0.001 0.000 0.240 194 S C 1.649 176.299 174.600 0.084 0.000 0.981 194 S CA 1.049 59.321 58.200 0.119 0.000 0.948 194 S CB -0.950 62.316 63.200 0.111 0.000 0.759 194 S HN 0.431 8.741 8.310 -0.000 0.000 0.531 195 S N 1.331 117.066 115.700 0.058 0.000 2.387 195 S HA -0.109 4.361 4.470 0.001 0.000 0.230 195 S C 1.239 175.868 174.600 0.048 0.000 1.035 195 S CA 1.537 59.760 58.200 0.038 0.000 1.014 195 S CB -0.846 62.373 63.200 0.032 0.000 0.836 195 S HN 0.693 9.003 8.310 -0.000 0.000 0.466 196 T N -0.632 113.972 114.554 0.084 0.000 2.849 196 T HA 0.350 4.700 4.350 0.001 0.000 0.276 196 T C -0.681 174.141 174.700 0.204 0.000 0.971 196 T CA -0.294 61.873 62.100 0.112 0.000 0.949 196 T CB -0.002 68.944 68.868 0.129 0.000 1.093 196 T HN 0.589 8.829 8.240 -0.000 0.000 0.545 197 W N 1.998 123.306 121.300 0.013 0.000 3.078 197 W HA -0.141 4.520 4.660 0.000 0.000 0.432 197 W C -2.609 173.918 176.519 0.014 0.000 1.368 197 W CA -0.227 57.128 57.345 0.017 0.000 0.459 197 W CB -0.728 28.741 29.460 0.015 0.000 2.859 197 W HN 0.610 8.790 8.180 -0.000 0.000 0.416 198 P HA 0.008 4.428 4.420 -0.000 0.000 0.259 198 P C 1.049 178.189 177.300 -0.268 0.000 1.480 198 P CA 1.351 64.004 63.100 -0.745 0.000 0.842 198 P CB -0.028 31.284 31.700 -0.647 0.000 1.513 199 S N -0.009 115.590 115.700 -0.167 0.000 2.363 199 S HA -0.152 4.318 4.470 0.001 0.000 0.218 199 S C 1.065 175.656 174.600 -0.016 0.000 1.035 199 S CA 1.118 59.278 58.200 -0.068 0.000 1.043 199 S CB -0.643 62.540 63.200 -0.028 0.000 0.986 199 S HN 0.350 8.660 8.310 -0.000 0.000 0.423 200 Q N 2.152 121.976 119.800 0.040 0.000 2.333 200 Q HA 0.417 4.757 4.340 0.001 0.000 0.267 200 Q C -0.808 175.278 176.000 0.143 0.000 1.012 200 Q CA -0.701 55.147 55.803 0.075 0.000 0.824 200 Q CB 0.531 29.314 28.738 0.077 0.000 1.290 200 Q HN 0.320 8.590 8.270 -0.000 0.000 0.449 201 T N 0.199 114.834 114.554 0.136 0.000 2.908 201 T HA 0.305 4.655 4.350 0.001 0.000 0.325 201 T C 0.782 175.609 174.700 0.211 0.000 1.092 201 T CA -0.346 61.867 62.100 0.190 0.000 1.125 201 T CB 0.253 69.199 68.868 0.131 0.000 1.016 201 T HN 0.525 8.765 8.240 -0.000 0.000 0.550 202 V N 0.043 120.104 119.914 0.245 0.000 3.126 202 V HA 0.843 4.963 4.120 0.001 0.000 0.314 202 V C -0.466 175.745 176.094 0.195 0.000 1.138 202 V CA -1.332 61.099 62.300 0.219 0.000 1.034 202 V CB 1.703 33.651 31.823 0.207 0.000 1.075 202 V HN 0.905 9.095 8.190 -0.000 0.000 0.442 203 I N 1.081 121.773 120.570 0.204 0.000 2.649 203 I HA 0.479 4.650 4.170 0.001 0.000 0.289 203 I C -0.578 175.483 176.117 -0.092 0.000 1.222 203 I CA -0.098 61.240 61.300 0.063 0.000 1.046 203 I CB 1.918 39.936 38.000 0.031 0.000 1.272 203 I HN 1.007 9.217 8.210 -0.000 0.000 0.425 204 c N 2.879 121.279 118.600 -0.334 0.000 2.329 204 c HA 0.696 5.266 4.570 0.001 0.000 0.329 204 c C -0.162 173.659 174.090 -0.447 0.000 1.275 204 c CA -0.695 55.114 56.329 -0.867 0.000 1.726 204 c CB 0.564 42.376 42.510 -1.164 0.000 2.291 204 c HN 0.907 9.137 8.230 -0.000 0.000 0.514 205 N N 2.179 120.599 118.700 -0.468 0.000 2.479 205 N HA 0.589 5.329 4.740 0.001 0.000 0.261 205 N C -1.342 174.002 175.510 -0.277 0.000 0.979 205 N CA -0.330 52.555 53.050 -0.276 0.000 0.930 205 N CB 1.230 39.605 38.487 -0.187 0.000 1.172 205 N HN 0.699 9.079 8.380 -0.000 0.000 0.499 206 V N 2.340 122.124 119.914 -0.217 0.000 2.384 206 V HA 0.750 4.870 4.120 0.001 0.000 0.287 206 V C -0.359 175.653 176.094 -0.135 0.000 1.020 206 V CA -0.614 61.572 62.300 -0.191 0.000 0.850 206 V CB 1.081 32.790 31.823 -0.190 0.000 0.987 206 V HN 0.758 8.948 8.190 -0.000 0.000 0.436 207 A N 3.489 126.241 122.820 -0.113 0.000 2.353 207 A HA 0.701 5.021 4.320 0.001 0.000 0.299 207 A C -1.086 176.468 177.584 -0.050 0.000 1.089 207 A CA -0.554 51.436 52.037 -0.077 0.000 0.736 207 A CB 0.878 19.833 19.000 -0.075 0.000 1.195 207 A HN 1.059 9.209 8.150 -0.000 0.000 0.447 208 H N 3.816 122.786 119.070 -0.167 0.000 2.638 208 H HA 0.519 5.075 4.556 0.001 0.000 0.303 208 H C -2.394 172.845 175.328 -0.147 0.000 1.034 208 H CA -1.958 53.968 56.048 -0.204 0.000 1.225 208 H CB 1.561 31.167 29.762 -0.260 0.000 1.394 208 H HN 0.313 8.593 8.280 -0.000 0.000 0.477 209 P HA -0.141 4.279 4.420 -0.000 0.000 0.218 209 P C 0.133 177.245 177.300 -0.314 0.000 1.146 209 P CA 1.558 64.487 63.100 -0.285 0.000 0.813 209 P CB 0.088 31.663 31.700 -0.209 0.000 0.778 210 A N -0.614 121.902 122.820 -0.508 0.000 3.065 210 A HA 0.202 4.522 4.320 0.001 0.000 0.262 210 A C 1.293 178.768 177.584 -0.182 0.000 1.901 210 A CA 0.770 52.622 52.037 -0.308 0.000 1.475 210 A CB -1.487 17.331 19.000 -0.304 0.000 0.984 210 A HN 0.085 8.235 8.150 -0.000 0.000 0.618 211 S N -0.899 114.717 115.700 -0.141 0.000 2.260 211 S HA -0.295 4.175 4.470 0.001 0.000 0.224 211 S C 0.930 175.501 174.600 -0.047 0.000 1.222 211 S CA 2.211 60.365 58.200 -0.076 0.000 1.731 211 S CB -1.186 61.987 63.200 -0.045 0.000 2.322 211 S HN 1.033 9.343 8.310 -0.000 0.000 0.619 212 K N 2.190 122.581 120.400 -0.015 0.000 2.355 212 K HA 0.280 4.600 4.320 0.001 0.000 0.270 212 K C -0.797 175.785 176.600 -0.030 0.000 1.003 212 K CA 0.573 56.853 56.287 -0.012 0.000 0.957 212 K CB 0.490 32.996 32.500 0.010 0.000 0.939 212 K HN 0.168 8.418 8.250 -0.000 0.000 0.482 213 T N 3.929 118.458 114.554 -0.041 0.000 2.809 213 T HA 0.158 4.508 4.350 0.001 0.000 0.296 213 T C -1.126 173.536 174.700 -0.063 0.000 1.015 213 T CA -0.732 61.334 62.100 -0.056 0.000 0.954 213 T CB 0.872 69.709 68.868 -0.051 0.000 0.950 213 T HN 0.584 8.824 8.240 -0.000 0.000 0.450 214 D N 2.480 122.830 120.400 -0.084 0.000 2.340 214 D HA 0.575 5.215 4.640 0.001 0.000 0.243 214 D C -1.104 175.133 176.300 -0.105 0.000 0.988 214 D CA -0.608 53.338 54.000 -0.090 0.000 0.959 214 D CB 2.172 42.907 40.800 -0.107 0.000 1.226 214 D HN 0.302 8.672 8.370 -0.000 0.000 0.509 215 L N 3.449 124.615 121.223 -0.094 0.000 2.385 215 L HA 0.675 5.015 4.340 0.001 0.000 0.273 215 L C -0.800 176.015 176.870 -0.092 0.000 0.990 215 L CA -0.278 54.504 54.840 -0.096 0.000 0.821 215 L CB 1.583 43.605 42.059 -0.061 0.000 1.279 215 L HN 0.553 8.783 8.230 -0.000 0.000 0.412 216 I N 2.709 123.213 120.570 -0.110 0.000 3.203 216 I HA 0.452 4.622 4.170 0.001 0.000 0.321 216 I C -1.750 174.350 176.117 -0.028 0.000 1.415 216 I CA -0.485 60.782 61.300 -0.055 0.000 0.909 216 I CB 1.598 39.569 38.000 -0.048 0.000 1.260 216 I HN 0.704 8.914 8.210 -0.000 0.000 0.499 217 K N 0.000 120.419 120.400 0.032 0.000 2.780 217 K HA 0.000 4.320 4.320 0.001 0.000 0.191 217 K CA 0.000 56.337 56.287 0.083 0.000 0.838 217 K CB 0.000 32.567 32.500 0.112 0.000 1.064 217 K HN 0.000 8.250 8.250 -0.000 0.000 0.543