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 3ptl_1_A DATA FIRST_RESID 1 DATA SEQUENCE AAQTNAPWGL ARISSTSPGT STYYYDESAG QGScVYVIDT GIEASHPEFE DATA SEQUENCE GRAQMVKTYY YSSRDGNGHG THCAGTVGSR TYGVAKKTQL FGVKVLDDNG DATA SEQUENCE SGQYSTIIAG MDFVASDKNN RNcPKGVVAS LSLGGGYSSS VNSAAARLQS DATA SEQUENCE SGVMVAVAAG NNNADARNYS PASEPSVcTV GASDRYDRRS SFSNYGSVLD DATA SEQUENCE IFGPGTSILS TWIGGSTRSI SGTSMATPHV AGLAAYLMTL GKTTAASAcR DATA SEQUENCE YIADTANKGD LSNIPFGTVN LLAYNNYQA 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 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 1 A C 0.000 177.267 177.584 -0.528 0.000 1.274 1 A CA 0.000 51.726 52.037 -0.518 0.000 0.836 1 A CB 0.000 18.453 19.000 -0.912 0.000 0.831 2 A N 0.650 123.275 122.820 -0.325 0.000 2.408 2 A HA 0.739 5.075 4.320 0.026 0.000 0.295 2 A C -0.765 176.733 177.584 -0.144 0.000 1.040 2 A CA -0.220 51.666 52.037 -0.251 0.000 0.707 2 A CB 1.411 20.347 19.000 -0.106 0.000 1.235 2 A HN 1.046 9.196 8.150 -0.000 0.000 0.418 3 Q N 2.021 121.783 119.800 -0.064 0.000 2.372 3 Q HA 0.434 4.790 4.340 0.026 0.000 0.259 3 Q C -0.237 175.742 176.000 -0.035 0.000 0.993 3 Q CA -0.216 55.603 55.803 0.028 0.000 0.854 3 Q CB 1.028 29.860 28.738 0.157 0.000 1.231 3 Q HN 0.757 9.027 8.270 -0.000 0.000 0.462 4 T N 3.138 117.668 114.554 -0.041 0.000 2.899 4 T HA 0.131 4.496 4.350 0.026 0.000 0.295 4 T C 0.157 174.851 174.700 -0.010 0.000 1.033 4 T CA 0.294 62.371 62.100 -0.038 0.000 1.084 4 T CB 0.118 68.972 68.868 -0.022 0.000 0.979 4 T HN 0.990 9.230 8.240 -0.000 0.000 0.532 5 N N 0.763 119.465 118.700 0.004 0.000 2.714 5 N HA -0.180 4.576 4.740 0.026 0.000 0.252 5 N C -0.251 175.275 175.510 0.026 0.000 1.014 5 N CA 0.086 53.150 53.050 0.023 0.000 0.735 5 N CB -0.888 37.612 38.487 0.021 0.000 0.924 5 N HN 0.795 9.175 8.380 -0.000 0.000 0.540 6 A N 0.383 123.220 122.820 0.029 0.000 2.287 6 A HA 0.559 4.894 4.320 0.026 0.000 0.273 6 A C -1.873 175.733 177.584 0.038 0.000 1.091 6 A CA -0.999 51.050 52.037 0.021 0.000 0.817 6 A CB 0.296 19.323 19.000 0.045 0.000 1.069 6 A HN 0.023 8.173 8.150 -0.000 0.000 0.492 7 P HA -0.075 4.345 4.420 -0.000 0.000 0.265 7 P C 1.041 178.330 177.300 -0.018 0.000 1.187 7 P CA -0.095 63.018 63.100 0.022 0.000 0.766 7 P CB 0.256 31.945 31.700 -0.019 0.000 0.820 8 W N 3.364 124.664 121.300 0.001 0.000 2.308 8 W HA -0.190 4.481 4.660 0.018 0.000 0.301 8 W C 1.235 177.735 176.519 -0.033 0.000 1.220 8 W CA 1.511 58.840 57.345 -0.027 0.000 1.240 8 W CB -1.976 27.450 29.460 -0.056 0.000 1.142 8 W HN 0.402 8.582 8.180 -0.000 0.000 0.521 9 G N 2.148 110.311 108.800 -1.062 0.000 2.421 9 G HA2 -0.219 3.756 3.960 0.026 0.000 0.216 9 G HA3 -0.219 3.756 3.960 0.026 0.000 0.216 9 G C 1.842 176.477 174.900 -0.442 0.000 1.171 9 G CA 1.586 46.035 45.100 -1.085 0.000 0.775 9 G HN 0.306 8.596 8.290 -0.000 0.000 0.543 10 L N 0.648 121.651 121.223 -0.366 0.000 2.046 10 L HA -0.088 4.268 4.340 0.026 0.000 0.208 10 L C 3.407 180.079 176.870 -0.331 0.000 1.077 10 L CA 1.169 55.662 54.840 -0.579 0.000 0.747 10 L CB -0.586 41.033 42.059 -0.733 0.000 0.896 10 L HN 0.322 8.552 8.230 -0.000 0.000 0.432 11 A N 0.067 122.843 122.820 -0.074 0.000 1.972 11 A HA -0.231 4.105 4.320 0.026 0.000 0.219 11 A C 2.358 180.035 177.584 0.155 0.000 1.169 11 A CA 1.636 53.742 52.037 0.115 0.000 0.635 11 A CB -0.448 18.629 19.000 0.129 0.000 0.810 11 A HN 0.259 8.409 8.150 -0.000 0.000 0.446 12 R N 0.081 120.646 120.500 0.108 0.000 2.115 12 R HA 0.076 4.431 4.340 0.026 0.000 0.230 12 R C 1.657 178.047 176.300 0.150 0.000 1.111 12 R CA 1.341 57.531 56.100 0.150 0.000 0.976 12 R CB -0.653 29.763 30.300 0.193 0.000 0.870 12 R HN 0.565 8.835 8.270 -0.000 0.000 0.445 13 I N 0.133 120.764 120.570 0.101 0.000 2.493 13 I HA -0.178 4.008 4.170 0.026 0.000 0.254 13 I C 1.014 177.363 176.117 0.387 0.000 1.160 13 I CA 1.511 62.917 61.300 0.178 0.000 1.445 13 I CB -0.112 37.910 38.000 0.036 0.000 1.086 13 I HN 0.203 8.413 8.210 -0.000 0.000 0.433 14 S N -1.503 114.450 115.700 0.423 0.000 2.537 14 S HA 0.269 4.755 4.470 0.026 0.000 0.246 14 S C 0.256 175.191 174.600 0.558 0.000 1.036 14 S CA -0.598 57.926 58.200 0.539 0.000 1.041 14 S CB 0.235 63.786 63.200 0.584 0.000 0.799 14 S HN 0.184 8.494 8.310 -0.000 0.000 0.456 15 S N -0.081 115.886 115.700 0.445 0.000 2.546 15 S HA 0.512 4.998 4.470 0.026 0.000 0.274 15 S C 0.463 175.006 174.600 -0.095 0.000 1.121 15 S CA -0.228 58.116 58.200 0.239 0.000 0.887 15 S CB 1.830 65.142 63.200 0.187 0.000 1.094 15 S HN 0.239 8.549 8.310 -0.000 0.000 0.474 16 T N 1.792 116.246 114.554 -0.166 0.000 3.081 16 T HA 0.259 4.625 4.350 0.026 0.000 0.255 16 T C 0.455 175.064 174.700 -0.153 0.000 1.113 16 T CA 0.942 62.847 62.100 -0.325 0.000 1.082 16 T CB -0.437 68.313 68.868 -0.197 0.000 0.939 16 T HN 0.772 9.012 8.240 -0.000 0.000 0.506 17 S N 1.598 117.265 115.700 -0.055 0.000 2.570 17 S HA 0.764 5.250 4.470 0.026 0.000 0.286 17 S C -3.180 171.429 174.600 0.015 0.000 1.099 17 S CA -1.536 56.653 58.200 -0.019 0.000 0.913 17 S CB 2.372 65.572 63.200 -0.001 0.000 1.085 17 S HN 0.081 8.391 8.310 -0.000 0.000 0.480 18 P HA 0.517 4.937 4.420 -0.000 0.000 0.278 18 P C 0.802 178.101 177.300 -0.001 0.000 1.258 18 P CA 0.397 63.499 63.100 0.003 0.000 0.811 18 P CB 0.650 32.322 31.700 -0.046 0.000 1.063 19 G N -0.776 108.010 108.800 -0.023 0.000 2.176 19 G HA2 -0.189 3.787 3.960 0.026 0.000 0.232 19 G HA3 -0.189 3.787 3.960 0.026 0.000 0.232 19 G C 0.353 175.273 174.900 0.034 0.000 0.986 19 G CA 0.385 45.472 45.100 -0.023 0.000 0.643 19 G HN 0.924 9.214 8.290 -0.000 0.000 0.522 20 T N -1.549 113.050 114.554 0.076 0.000 2.824 20 T HA 0.682 5.047 4.350 0.026 0.000 0.277 20 T C 1.415 176.176 174.700 0.102 0.000 0.975 20 T CA 0.862 63.022 62.100 0.099 0.000 0.966 20 T CB 1.712 70.663 68.868 0.140 0.000 1.054 20 T HN 1.148 9.388 8.240 -0.000 0.000 0.533 21 S N -1.595 114.158 115.700 0.088 0.000 2.604 21 S HA 0.242 4.728 4.470 0.026 0.000 0.235 21 S C 0.445 175.068 174.600 0.039 0.000 1.043 21 S CA -0.498 57.744 58.200 0.071 0.000 0.997 21 S CB -0.063 63.170 63.200 0.055 0.000 0.956 21 S HN 0.757 9.067 8.310 -0.000 0.000 0.535 22 T N 2.980 117.532 114.554 -0.004 0.000 2.795 22 T HA 0.431 4.797 4.350 0.026 0.000 0.282 22 T C -1.495 173.129 174.700 -0.126 0.000 0.980 22 T CA -0.234 61.775 62.100 -0.152 0.000 1.012 22 T CB 0.865 69.493 68.868 -0.400 0.000 0.936 22 T HN 0.305 8.545 8.240 -0.000 0.000 0.457 23 Y N 4.004 124.172 120.300 -0.220 0.000 2.404 23 Y HA 0.448 5.012 4.550 0.023 0.000 0.344 23 Y C -1.465 174.394 175.900 -0.068 0.000 0.970 23 Y CA -2.168 55.883 58.100 -0.083 0.000 1.180 23 Y CB -0.083 38.359 38.460 -0.029 0.000 1.138 23 Y HN 0.544 8.824 8.280 -0.000 0.000 0.510 24 Y N 7.460 127.796 120.300 0.061 0.000 2.330 24 Y HA 0.470 5.038 4.550 0.029 0.000 0.336 24 Y C -0.757 174.879 175.900 -0.441 0.000 1.036 24 Y CA -0.526 57.500 58.100 -0.124 0.000 1.125 24 Y CB 0.782 39.371 38.460 0.217 0.000 1.194 24 Y HN 0.566 8.846 8.280 -0.000 0.000 0.469 25 Y N -0.799 119.002 120.300 -0.831 0.000 2.624 25 Y HA 0.362 4.925 4.550 0.023 0.000 0.334 25 Y C -1.245 174.029 175.900 -1.042 0.000 1.155 25 Y CA -1.711 55.761 58.100 -1.047 0.000 1.046 25 Y CB 0.973 38.809 38.460 -1.040 0.000 1.316 25 Y HN 0.530 8.810 8.280 -0.000 0.000 0.457 26 D N 1.573 121.641 120.400 -0.554 0.000 2.389 26 D HA 0.024 4.680 4.640 0.026 0.000 0.247 26 D C 0.269 176.544 176.300 -0.042 0.000 1.128 26 D CA 0.300 54.143 54.000 -0.262 0.000 0.884 26 D CB 1.344 42.148 40.800 0.008 0.000 1.194 26 D HN 0.864 9.234 8.370 -0.000 0.000 0.441 27 E N 0.943 121.078 120.200 -0.110 0.000 2.267 27 E HA -0.193 4.173 4.350 0.026 0.000 0.197 27 E C 2.008 178.645 176.600 0.063 0.000 0.998 27 E CA 1.127 57.511 56.400 -0.028 0.000 0.830 27 E CB 0.030 29.702 29.700 -0.047 0.000 0.751 27 E HN 0.506 8.866 8.360 -0.000 0.000 0.491 28 S N 0.357 116.081 115.700 0.039 0.000 2.383 28 S HA -0.143 4.342 4.470 0.026 0.000 0.229 28 S C 1.705 176.345 174.600 0.068 0.000 1.030 28 S CA 0.606 58.817 58.200 0.019 0.000 1.002 28 S CB -0.453 62.718 63.200 -0.047 0.000 0.829 28 S HN 0.415 8.725 8.310 -0.000 0.000 0.467 29 A N 0.597 123.521 122.820 0.173 0.000 2.799 29 A HA 0.095 4.431 4.320 0.026 0.000 0.287 29 A C 1.597 179.260 177.584 0.131 0.000 1.484 29 A CA 1.113 53.279 52.037 0.216 0.000 0.813 29 A CB -2.310 16.782 19.000 0.155 0.000 1.009 29 A HN 2.307 10.457 8.150 -0.000 0.000 0.545 30 G N -2.426 106.430 108.800 0.094 0.000 2.136 30 G HA2 -0.263 3.713 3.960 0.026 0.000 0.242 30 G HA3 -0.263 3.713 3.960 0.026 0.000 0.242 30 G C -0.006 174.895 174.900 0.002 0.000 0.989 30 G CA 0.872 45.999 45.100 0.046 0.000 0.682 30 G HN 1.325 9.615 8.290 -0.000 0.000 0.522 31 Q N -0.751 119.047 119.800 -0.003 0.000 2.361 31 Q HA 0.400 4.756 4.340 0.026 0.000 0.276 31 Q C 1.577 177.565 176.000 -0.021 0.000 1.022 31 Q CA 1.314 57.108 55.803 -0.015 0.000 0.898 31 Q CB 0.478 29.210 28.738 -0.010 0.000 1.246 31 Q HN 1.474 9.744 8.270 -0.000 0.000 0.410 32 G N 1.450 110.236 108.800 -0.023 0.000 2.205 32 G HA2 -0.310 3.666 3.960 0.026 0.000 0.261 32 G HA3 -0.310 3.666 3.960 0.026 0.000 0.261 32 G C 0.152 175.047 174.900 -0.010 0.000 0.980 32 G CA 0.423 45.514 45.100 -0.015 0.000 0.632 32 G HN 0.758 9.048 8.290 -0.000 0.000 0.533 33 S N -1.275 114.414 115.700 -0.018 0.000 2.722 33 S HA 0.792 5.278 4.470 0.026 0.000 0.292 33 S C -0.070 174.512 174.600 -0.030 0.000 1.135 33 S CA -0.145 58.053 58.200 -0.005 0.000 1.003 33 S CB 2.633 65.834 63.200 0.000 0.000 1.067 33 S HN 0.975 9.285 8.310 -0.000 0.000 0.546 34 c N 1.051 119.652 118.600 0.003 0.000 2.609 34 c HA 0.743 5.328 4.570 0.026 0.000 0.313 34 c C -0.775 173.321 174.090 0.010 0.000 1.175 34 c CA -0.619 55.675 56.329 -0.058 0.000 1.434 34 c CB 1.200 43.789 42.510 0.132 0.000 2.005 34 c HN 0.768 8.998 8.230 -0.000 0.000 0.471 35 V N 2.861 122.713 119.914 -0.104 0.000 2.483 35 V HA 0.357 4.493 4.120 0.026 0.000 0.297 35 V C -1.122 174.985 176.094 0.023 0.000 1.027 35 V CA -0.546 61.765 62.300 0.018 0.000 0.855 35 V CB 1.069 32.880 31.823 -0.021 0.000 0.995 35 V HN 0.817 9.007 8.190 -0.000 0.000 0.424 36 Y N 3.226 123.607 120.300 0.135 0.000 2.365 36 Y HA 0.414 4.980 4.550 0.026 0.000 0.340 36 Y C 0.387 176.348 175.900 0.101 0.000 1.016 36 Y CA -0.463 57.743 58.100 0.177 0.000 1.196 36 Y CB 1.540 40.117 38.460 0.194 0.000 1.167 36 Y HN 0.396 8.676 8.280 -0.000 0.000 0.509 37 V N 6.630 126.658 119.914 0.190 0.000 2.320 37 V HA 0.171 4.307 4.120 0.026 0.000 0.265 37 V C -0.180 176.007 176.094 0.156 0.000 1.048 37 V CA -0.595 61.778 62.300 0.122 0.000 0.865 37 V CB -0.048 31.794 31.823 0.032 0.000 1.043 37 V HN 0.507 8.697 8.190 -0.000 0.000 0.474 38 I N 5.477 126.145 120.570 0.164 0.000 2.281 38 I HA 0.420 4.606 4.170 0.026 0.000 0.293 38 I C 0.461 176.662 176.117 0.140 0.000 1.085 38 I CA 0.874 62.272 61.300 0.163 0.000 1.257 38 I CB 0.029 38.117 38.000 0.147 0.000 1.430 38 I HN 0.644 8.854 8.210 -0.000 0.000 0.489 39 D N 2.088 122.571 120.400 0.138 0.000 4.512 39 D HA 0.103 4.759 4.640 0.026 0.000 0.329 39 D C 0.859 177.225 176.300 0.111 0.000 1.683 39 D CA 0.272 54.354 54.000 0.137 0.000 0.980 39 D CB 1.061 41.959 40.800 0.164 0.000 1.476 39 D HN 0.313 8.683 8.370 -0.000 0.000 0.668 40 T N -0.909 113.696 114.554 0.085 0.000 3.129 40 T HA 0.510 4.876 4.350 0.026 0.000 0.251 40 T C 0.969 175.676 174.700 0.011 0.000 1.117 40 T CA 0.994 63.105 62.100 0.019 0.000 1.034 40 T CB 0.309 69.162 68.868 -0.025 0.000 0.968 40 T HN 0.798 9.038 8.240 -0.000 0.000 0.526 41 G N 0.745 109.563 108.800 0.031 0.000 2.384 41 G HA2 0.185 4.160 3.960 0.026 0.000 0.668 41 G HA3 0.185 4.160 3.960 0.026 0.000 0.668 41 G C -1.511 173.376 174.900 -0.021 0.000 1.280 41 G CA -0.745 44.361 45.100 0.010 0.000 0.992 41 G HN 0.516 8.806 8.290 -0.000 0.000 0.512 42 I N 0.036 120.582 120.570 -0.040 0.000 2.534 42 I HA 0.338 4.524 4.170 0.026 0.000 0.288 42 I C 0.096 176.203 176.117 -0.016 0.000 1.077 42 I CA -0.616 60.643 61.300 -0.068 0.000 1.051 42 I CB 2.294 40.168 38.000 -0.211 0.000 1.234 42 I HN 0.668 8.878 8.210 -0.000 0.000 0.425 43 E N 5.114 125.365 120.200 0.085 0.000 1.791 43 E HA 0.226 4.592 4.350 0.026 0.000 0.263 43 E C 0.955 177.698 176.600 0.238 0.000 1.213 43 E CA -0.075 56.408 56.400 0.139 0.000 0.991 43 E CB 0.869 30.675 29.700 0.178 0.000 1.068 43 E HN 0.817 9.177 8.360 -0.000 0.000 0.417 44 A N 3.088 125.966 122.820 0.097 0.000 2.019 44 A HA -0.190 4.145 4.320 0.026 0.000 0.219 44 A C 2.115 179.824 177.584 0.208 0.000 1.164 44 A CA 1.648 53.737 52.037 0.087 0.000 0.644 44 A CB -0.323 18.675 19.000 -0.004 0.000 0.805 44 A HN 0.651 8.801 8.150 -0.000 0.000 0.449 45 S N -0.949 114.851 115.700 0.166 0.000 2.515 45 S HA -0.096 4.389 4.470 0.026 0.000 0.231 45 S C 0.932 175.628 174.600 0.159 0.000 0.987 45 S CA 0.152 58.429 58.200 0.128 0.000 0.936 45 S CB -0.656 62.583 63.200 0.065 0.000 0.766 45 S HN 0.623 8.933 8.310 -0.000 0.000 0.528 46 H N 3.893 123.052 119.070 0.149 0.000 3.107 46 H HA 0.135 4.707 4.556 0.025 0.000 0.301 46 H C -1.836 173.479 175.328 -0.022 0.000 0.981 46 H CA -1.307 54.759 56.048 0.031 0.000 1.443 46 H CB 0.971 30.687 29.762 -0.077 0.000 1.479 46 H HN 0.070 8.350 8.280 -0.000 0.000 0.564 47 P HA -0.160 4.260 4.420 -0.000 0.000 0.217 47 P C 1.243 178.597 177.300 0.089 0.000 1.148 47 P CA 1.050 64.206 63.100 0.093 0.000 0.828 47 P CB 0.385 32.101 31.700 0.027 0.000 0.783 48 E N -1.768 118.503 120.200 0.119 0.000 2.333 48 E HA -0.112 4.254 4.350 0.026 0.000 0.198 48 E C 1.270 177.703 176.600 -0.280 0.000 1.007 48 E CA 0.907 57.190 56.400 -0.194 0.000 0.845 48 E CB -0.414 28.997 29.700 -0.481 0.000 0.766 48 E HN 0.370 8.730 8.360 -0.000 0.000 0.507 49 F N 0.548 120.508 119.950 0.016 0.000 2.743 49 F HA 0.092 4.636 4.527 0.028 0.000 0.297 49 F C 0.917 176.701 175.800 -0.026 0.000 1.131 49 F CA 0.097 58.079 58.000 -0.031 0.000 1.426 49 F CB -0.048 38.933 39.000 -0.031 0.000 1.116 49 F HN -0.070 8.230 8.300 -0.000 0.000 0.583 50 E N -0.392 119.887 120.200 0.131 0.000 2.660 50 E HA -0.289 4.077 4.350 0.026 0.000 0.260 50 E C 1.504 178.144 176.600 0.067 0.000 1.122 50 E CA 0.380 56.823 56.400 0.072 0.000 0.755 50 E CB -1.695 28.027 29.700 0.036 0.000 1.345 50 E HN 0.601 8.961 8.360 -0.000 0.000 0.421 51 G N -0.297 108.560 108.800 0.094 0.000 2.176 51 G HA2 -0.383 3.593 3.960 0.026 0.000 0.253 51 G HA3 -0.383 3.593 3.960 0.026 0.000 0.253 51 G C 0.638 175.545 174.900 0.011 0.000 0.979 51 G CA 0.416 45.546 45.100 0.050 0.000 0.641 51 G HN 0.342 8.632 8.290 -0.000 0.000 0.530 52 R N 0.275 120.780 120.500 0.008 0.000 2.317 52 R HA 0.536 4.891 4.340 0.026 0.000 0.208 52 R C 1.141 177.328 176.300 -0.188 0.000 0.914 52 R CA 0.722 56.775 56.100 -0.079 0.000 1.060 52 R CB 0.391 30.652 30.300 -0.065 0.000 1.015 52 R HN 0.546 8.816 8.270 -0.000 0.000 0.498 53 A N 0.995 123.709 122.820 -0.176 0.000 2.337 53 A HA 0.458 4.794 4.320 0.026 0.000 0.329 53 A C -0.893 176.580 177.584 -0.185 0.000 1.146 53 A CA -0.414 51.424 52.037 -0.333 0.000 0.800 53 A CB 1.367 19.959 19.000 -0.680 0.000 1.220 53 A HN 0.143 8.293 8.150 -0.000 0.000 0.472 54 Q N 1.817 121.528 119.800 -0.148 0.000 2.340 54 Q HA 0.464 4.820 4.340 0.026 0.000 0.276 54 Q C -1.540 174.479 176.000 0.032 0.000 1.048 54 Q CA -0.846 54.951 55.803 -0.011 0.000 0.832 54 Q CB 1.597 30.391 28.738 0.093 0.000 1.373 54 Q HN 0.712 8.982 8.270 -0.000 0.000 0.409 55 M N 3.316 122.924 119.600 0.013 0.000 2.211 55 M HA 0.153 4.648 4.480 0.026 0.000 0.356 55 M C 0.641 176.959 176.300 0.029 0.000 1.216 55 M CA 0.140 55.447 55.300 0.013 0.000 1.134 55 M CB 1.109 33.697 32.600 -0.020 0.000 1.564 55 M HN 0.692 8.982 8.290 -0.000 0.000 0.463 56 V N 0.128 120.065 119.914 0.038 0.000 3.562 56 V HA 0.450 4.586 4.120 0.026 0.000 0.270 56 V C 0.081 176.110 176.094 -0.109 0.000 1.418 56 V CA 0.121 62.442 62.300 0.034 0.000 1.033 56 V CB 0.365 32.263 31.823 0.124 0.000 0.820 56 V HN 0.800 8.990 8.190 -0.000 0.000 0.441 57 K N 0.017 120.276 120.400 -0.236 0.000 2.572 57 K HA 0.657 4.992 4.320 0.026 0.000 0.263 57 K C -1.140 175.221 176.600 -0.398 0.000 0.932 57 K CA 0.462 56.424 56.287 -0.542 0.000 0.838 57 K CB 2.077 33.825 32.500 -1.254 0.000 1.366 57 K HN 0.237 8.487 8.250 -0.000 0.000 0.425 58 T N 2.406 116.670 114.554 -0.483 0.000 2.903 58 T HA 0.522 4.888 4.350 0.026 0.000 0.299 58 T C -1.085 173.267 174.700 -0.579 0.000 1.093 58 T CA -0.279 61.632 62.100 -0.315 0.000 1.002 58 T CB 0.534 69.328 68.868 -0.123 0.000 1.127 58 T HN 0.473 8.713 8.240 -0.000 0.000 0.488 59 Y N 2.102 122.272 120.300 -0.216 0.000 2.681 59 Y HA 0.469 5.034 4.550 0.026 0.000 0.267 59 Y C -0.614 174.786 175.900 -0.834 0.000 1.166 59 Y CA -0.535 57.273 58.100 -0.488 0.000 1.209 59 Y CB 0.323 38.454 38.460 -0.549 0.000 1.161 59 Y HN 0.517 8.797 8.280 -0.000 0.000 0.534 60 Y N -3.486 116.838 120.300 0.039 0.000 2.669 60 Y HA 0.156 4.722 4.550 0.027 0.000 0.335 60 Y C 0.809 176.733 175.900 0.040 0.000 1.116 60 Y CA -2.083 56.056 58.100 0.064 0.000 1.081 60 Y CB 0.142 38.645 38.460 0.072 0.000 1.297 60 Y HN -0.084 8.196 8.280 -0.000 0.000 0.484 61 Y N 0.662 121.052 120.300 0.150 0.000 2.139 61 Y HA -0.169 4.396 4.550 0.026 0.000 0.282 61 Y C 1.103 177.027 175.900 0.041 0.000 1.179 61 Y CA 1.904 60.043 58.100 0.064 0.000 1.161 61 Y CB 0.015 38.509 38.460 0.057 0.000 0.970 61 Y HN 0.390 8.670 8.280 -0.000 0.000 0.511 62 S N -1.558 114.153 115.700 0.019 0.000 2.638 62 S HA 0.413 4.898 4.470 0.026 0.000 0.302 62 S C 0.610 175.201 174.600 -0.016 0.000 1.096 62 S CA -0.253 57.897 58.200 -0.084 0.000 0.953 62 S CB 1.414 64.638 63.200 0.039 0.000 1.107 62 S HN 0.332 8.642 8.310 -0.000 0.000 0.503 63 S N 1.499 117.169 115.700 -0.051 0.000 2.556 63 S HA 0.189 4.675 4.470 0.026 0.000 0.216 63 S C 0.522 175.115 174.600 -0.013 0.000 0.970 63 S CA -0.660 57.520 58.200 -0.032 0.000 0.912 63 S CB -0.384 62.778 63.200 -0.064 0.000 0.790 63 S HN 0.781 9.091 8.310 -0.000 0.000 0.504 64 R N 1.203 121.699 120.500 -0.007 0.000 2.590 64 R HA 0.331 4.687 4.340 0.026 0.000 0.274 64 R C -0.922 175.367 176.300 -0.019 0.000 1.061 64 R CA -0.481 55.614 56.100 -0.007 0.000 1.081 64 R CB 0.009 30.310 30.300 0.001 0.000 0.984 64 R HN 0.004 8.274 8.270 -0.000 0.000 0.448 65 D N 2.239 122.619 120.400 -0.035 0.000 2.374 65 D HA 0.130 4.786 4.640 0.026 0.000 0.240 65 D C 0.612 176.859 176.300 -0.088 0.000 1.229 65 D CA -0.195 53.764 54.000 -0.070 0.000 0.895 65 D CB 0.910 41.656 40.800 -0.090 0.000 1.046 65 D HN 0.751 9.121 8.370 -0.000 0.000 0.498 66 G N 3.558 112.310 108.800 -0.081 0.000 3.189 66 G HA2 -0.130 3.845 3.960 0.026 0.000 0.225 66 G HA3 -0.130 3.845 3.960 0.026 0.000 0.225 66 G C 1.072 175.921 174.900 -0.085 0.000 1.159 66 G CA -0.266 44.794 45.100 -0.067 0.000 0.763 66 G HN 0.498 8.788 8.290 -0.000 0.000 0.549 67 N N -0.047 118.569 118.700 -0.139 0.000 2.646 67 N HA 0.150 4.905 4.740 0.026 0.000 0.214 67 N C 1.723 177.010 175.510 -0.372 0.000 1.042 67 N CA 1.596 54.561 53.050 -0.142 0.000 0.925 67 N CB 0.587 39.011 38.487 -0.105 0.000 1.383 67 N HN 0.294 8.674 8.380 -0.000 0.000 0.439 68 G N 0.540 108.965 108.800 -0.624 0.000 2.391 68 G HA2 -0.240 3.736 3.960 0.026 0.000 0.204 68 G HA3 -0.240 3.736 3.960 0.026 0.000 0.204 68 G C 0.942 175.197 174.900 -1.074 0.000 1.012 68 G CA 0.451 44.669 45.100 -1.470 0.000 0.651 68 G HN 0.526 8.816 8.290 -0.000 0.000 0.494 69 H N 1.323 120.042 119.070 -0.584 0.000 2.265 69 H HA -0.135 4.437 4.556 0.027 0.000 0.295 69 H C 2.788 178.077 175.328 -0.065 0.000 1.084 69 H CA 3.037 58.986 56.048 -0.165 0.000 1.261 69 H CB -0.677 29.052 29.762 -0.056 0.000 1.360 69 H HN 0.463 8.743 8.280 -0.000 0.000 0.487 70 G N -0.694 108.121 108.800 0.026 0.000 2.440 70 G HA2 -0.270 3.705 3.960 0.026 0.000 0.218 70 G HA3 -0.270 3.705 3.960 0.026 0.000 0.218 70 G C 1.823 176.710 174.900 -0.022 0.000 1.154 70 G CA 1.375 46.487 45.100 0.020 0.000 0.767 70 G HN 0.429 8.719 8.290 -0.000 0.000 0.552 71 T N -0.385 114.135 114.554 -0.057 0.000 2.746 71 T HA -0.123 4.242 4.350 0.026 0.000 0.267 71 T C 2.022 176.774 174.700 0.087 0.000 1.039 71 T CA 1.268 63.390 62.100 0.037 0.000 1.142 71 T CB -0.356 68.500 68.868 -0.020 0.000 0.866 71 T HN 0.419 8.659 8.240 -0.000 0.000 0.444 72 H N 0.091 119.124 119.070 -0.061 0.000 2.357 72 H HA -0.063 4.508 4.556 0.024 0.000 0.301 72 H C 2.346 177.641 175.328 -0.054 0.000 1.082 72 H CA 1.456 57.507 56.048 0.005 0.000 1.342 72 H CB -0.409 29.430 29.762 0.130 0.000 1.389 72 H HN 0.354 8.634 8.280 -0.000 0.000 0.511 73 C N 0.862 120.185 119.300 0.038 0.000 2.429 73 C HA -0.028 4.447 4.460 0.026 0.000 0.277 73 C C 3.227 178.199 174.990 -0.029 0.000 1.262 73 C CA 0.928 59.935 59.018 -0.018 0.000 1.733 73 C CB -1.190 26.520 27.740 -0.050 0.000 2.010 73 C HN 0.695 8.925 8.230 -0.000 0.000 0.483 74 A N 0.859 123.680 122.820 0.002 0.000 1.940 74 A HA 0.020 4.356 4.320 0.026 0.000 0.219 74 A C 2.385 180.041 177.584 0.119 0.000 1.176 74 A CA 2.116 54.153 52.037 -0.001 0.000 0.631 74 A CB -1.194 17.739 19.000 -0.110 0.000 0.814 74 A HN 0.569 8.719 8.150 -0.000 0.000 0.446 75 G N -1.292 107.595 108.800 0.145 0.000 2.418 75 G HA2 -0.142 3.833 3.960 0.026 0.000 0.217 75 G HA3 -0.142 3.833 3.960 0.026 0.000 0.217 75 G C 1.527 176.377 174.900 -0.082 0.000 1.158 75 G CA 1.589 46.715 45.100 0.043 0.000 0.771 75 G HN 0.436 8.726 8.290 -0.000 0.000 0.545 76 T N 0.549 114.993 114.554 -0.183 0.000 2.951 76 T HA -0.011 4.355 4.350 0.026 0.000 0.268 76 T C 2.523 177.058 174.700 -0.275 0.000 1.073 76 T CA 0.867 62.785 62.100 -0.304 0.000 1.134 76 T CB 0.019 68.645 68.868 -0.404 0.000 0.884 76 T HN 0.078 8.318 8.240 -0.000 0.000 0.479 77 V N 0.615 120.437 119.914 -0.154 0.000 2.283 77 V HA 0.114 4.249 4.120 0.026 0.000 0.243 77 V C 2.174 178.210 176.094 -0.095 0.000 1.039 77 V CA 1.859 64.090 62.300 -0.115 0.000 1.016 77 V CB -0.448 31.334 31.823 -0.069 0.000 0.650 77 V HN 0.571 8.761 8.190 -0.000 0.000 0.449 78 G N -0.398 108.376 108.800 -0.044 0.000 4.765 78 G HA2 0.219 4.195 3.960 0.026 0.000 0.276 78 G HA3 0.219 4.195 3.960 0.026 0.000 0.276 78 G C 0.192 175.113 174.900 0.034 0.000 0.986 78 G CA 0.556 45.640 45.100 -0.026 0.000 0.755 78 G HN 0.506 8.796 8.290 -0.000 0.000 0.391 79 S N -0.522 115.196 115.700 0.029 0.000 2.600 79 S HA 0.294 4.780 4.470 0.026 0.000 0.265 79 S C 1.504 176.023 174.600 -0.135 0.000 1.325 79 S CA -0.208 57.956 58.200 -0.061 0.000 1.002 79 S CB 2.093 65.164 63.200 -0.216 0.000 0.921 79 S HN 0.346 8.656 8.310 -0.000 0.000 0.554 80 R N 0.514 120.917 120.500 -0.162 0.000 2.080 80 R HA -0.122 4.234 4.340 0.026 0.000 0.236 80 R C 1.688 177.830 176.300 -0.263 0.000 1.137 80 R CA 2.207 58.206 56.100 -0.169 0.000 0.943 80 R CB -1.037 29.179 30.300 -0.140 0.000 0.846 80 R HN 0.839 9.109 8.270 -0.000 0.000 0.431 81 T N -0.912 113.365 114.554 -0.462 0.000 3.031 81 T HA 0.022 4.388 4.350 0.026 0.000 0.254 81 T C 0.512 174.726 174.700 -0.810 0.000 1.060 81 T CA 0.749 62.419 62.100 -0.717 0.000 1.135 81 T CB 0.060 68.245 68.868 -1.138 0.000 0.896 81 T HN 0.331 8.571 8.240 -0.000 0.000 0.472 82 Y N 0.949 121.131 120.300 -0.196 0.000 2.481 82 Y HA 0.544 5.106 4.550 0.020 0.000 0.247 82 Y C 1.330 177.056 175.900 -0.291 0.000 1.151 82 Y CA -1.393 56.561 58.100 -0.244 0.000 1.238 82 Y CB 0.124 38.419 38.460 -0.276 0.000 1.179 82 Y HN 0.111 8.391 8.280 -0.000 0.000 0.524 83 G N -0.319 108.366 108.800 -0.191 0.000 2.412 83 G HA2 0.417 4.392 3.960 0.026 0.000 0.318 83 G HA3 0.417 4.392 3.960 0.026 0.000 0.318 83 G C 0.525 175.273 174.900 -0.254 0.000 1.146 83 G CA -0.362 44.616 45.100 -0.203 0.000 0.882 83 G HN 0.011 8.301 8.290 -0.000 0.000 0.501 84 V N 1.350 121.105 119.914 -0.265 0.000 2.346 84 V HA 0.110 4.246 4.120 0.026 0.000 0.244 84 V C 1.907 177.922 176.094 -0.131 0.000 1.037 84 V CA 1.915 64.072 62.300 -0.239 0.000 1.029 84 V CB -0.286 31.411 31.823 -0.211 0.000 0.663 84 V HN 0.811 9.001 8.190 -0.000 0.000 0.454 85 A N -0.155 122.612 122.820 -0.089 0.000 2.654 85 A HA 0.389 4.725 4.320 0.026 0.000 0.345 85 A C 0.930 178.480 177.584 -0.056 0.000 1.368 85 A CA -0.453 51.573 52.037 -0.018 0.000 0.895 85 A CB 0.062 19.086 19.000 0.040 0.000 1.143 85 A HN 0.416 8.566 8.150 -0.000 0.000 0.490 86 K N 0.635 120.972 120.400 -0.105 0.000 2.442 86 K HA -0.061 4.274 4.320 0.026 0.000 0.198 86 K C 0.722 177.300 176.600 -0.037 0.000 1.042 86 K CA 1.064 57.295 56.287 -0.092 0.000 0.958 86 K CB 0.106 32.522 32.500 -0.140 0.000 0.766 86 K HN 0.560 8.810 8.250 -0.000 0.000 0.474 87 K N 0.192 120.582 120.400 -0.016 0.000 2.469 87 K HA 0.075 4.411 4.320 0.026 0.000 0.204 87 K C 0.200 176.778 176.600 -0.037 0.000 1.047 87 K CA -0.098 56.180 56.287 -0.015 0.000 1.072 87 K CB 1.205 33.709 32.500 0.007 0.000 0.863 87 K HN -0.061 8.189 8.250 -0.000 0.000 0.530 88 T N 0.786 115.310 114.554 -0.050 0.000 2.813 88 T HA 0.035 4.400 4.350 0.026 0.000 0.297 88 T C -0.338 174.265 174.700 -0.162 0.000 1.036 88 T CA -0.164 61.885 62.100 -0.086 0.000 1.044 88 T CB 0.893 69.716 68.868 -0.075 0.000 0.993 88 T HN 0.004 8.244 8.240 -0.000 0.000 0.535 89 Q N 2.274 121.924 119.800 -0.251 0.000 2.278 89 Q HA 0.517 4.873 4.340 0.026 0.000 0.257 89 Q C -1.410 174.195 176.000 -0.658 0.000 0.928 89 Q CA -0.158 55.370 55.803 -0.459 0.000 0.932 89 Q CB 0.590 29.005 28.738 -0.539 0.000 1.221 89 Q HN 0.583 8.853 8.270 -0.000 0.000 0.434 90 L N 4.611 125.435 121.223 -0.664 0.000 2.307 90 L HA 0.557 4.913 4.340 0.026 0.000 0.284 90 L C -0.946 175.508 176.870 -0.694 0.000 1.023 90 L CA -0.625 53.855 54.840 -0.599 0.000 0.810 90 L CB 0.798 42.576 42.059 -0.469 0.000 1.231 90 L HN 0.596 8.826 8.230 -0.000 0.000 0.423 91 F N 0.867 120.626 119.950 -0.318 0.000 2.493 91 F HA 0.572 5.115 4.527 0.027 0.000 0.329 91 F C 0.743 176.456 175.800 -0.145 0.000 1.126 91 F CA -1.081 56.728 58.000 -0.318 0.000 0.937 91 F CB 1.926 40.497 39.000 -0.715 0.000 1.146 91 F HN 0.364 8.664 8.300 -0.000 0.000 0.442 92 G N 2.006 110.867 108.800 0.101 0.000 2.332 92 G HA2 0.554 4.529 3.960 0.026 0.000 0.310 92 G HA3 0.554 4.529 3.960 0.026 0.000 0.310 92 G C -1.459 173.518 174.900 0.129 0.000 1.123 92 G CA -0.565 44.580 45.100 0.076 0.000 0.873 92 G HN 0.452 8.742 8.290 -0.000 0.000 0.460 93 V N 2.795 122.805 119.914 0.161 0.000 2.380 93 V HA 0.300 4.436 4.120 0.026 0.000 0.286 93 V C 0.165 176.352 176.094 0.156 0.000 1.015 93 V CA -1.017 61.375 62.300 0.154 0.000 0.834 93 V CB 1.438 33.420 31.823 0.264 0.000 1.009 93 V HN 0.795 8.985 8.190 -0.000 0.000 0.428 94 K N 3.792 124.274 120.400 0.136 0.000 2.219 94 K HA 0.317 4.653 4.320 0.026 0.000 0.280 94 K C 0.703 177.534 176.600 0.385 0.000 1.104 94 K CA -0.167 56.245 56.287 0.208 0.000 0.925 94 K CB 0.906 33.511 32.500 0.175 0.000 1.261 94 K HN 0.669 8.919 8.250 -0.000 0.000 0.445 95 V N 2.351 122.461 119.914 0.328 0.000 3.643 95 V HA 0.269 4.405 4.120 0.026 0.000 0.280 95 V C 0.152 176.474 176.094 0.379 0.000 1.351 95 V CA -0.262 62.226 62.300 0.313 0.000 1.073 95 V CB -0.306 31.574 31.823 0.096 0.000 0.863 95 V HN 0.431 8.621 8.190 -0.000 0.000 0.436 96 L N 2.610 123.987 121.223 0.256 0.000 2.317 96 L HA 0.584 4.939 4.340 0.026 0.000 0.281 96 L C 0.022 176.735 176.870 -0.262 0.000 1.024 96 L CA -0.817 54.057 54.840 0.055 0.000 0.810 96 L CB 1.547 43.600 42.059 -0.009 0.000 1.240 96 L HN 0.288 8.518 8.230 -0.000 0.000 0.427 97 D N 0.122 120.209 120.400 -0.522 0.000 2.380 97 D HA -0.038 4.618 4.640 0.026 0.000 0.254 97 D C 0.365 176.436 176.300 -0.383 0.000 1.288 97 D CA -0.378 53.125 54.000 -0.828 0.000 1.008 97 D CB 0.573 40.995 40.800 -0.629 0.000 1.099 97 D HN 0.383 8.753 8.370 -0.000 0.000 0.537 98 D N -1.433 118.789 120.400 -0.298 0.000 2.378 98 D HA -0.072 4.583 4.640 0.026 0.000 0.222 98 D C 0.516 176.747 176.300 -0.114 0.000 0.980 98 D CA 0.612 54.514 54.000 -0.165 0.000 0.907 98 D CB -0.464 40.267 40.800 -0.115 0.000 0.899 98 D HN 0.452 8.822 8.370 -0.000 0.000 0.527 99 N N -0.739 117.887 118.700 -0.123 0.000 2.280 99 N HA 0.176 4.932 4.740 0.026 0.000 0.192 99 N C 1.091 176.543 175.510 -0.096 0.000 1.109 99 N CA 0.342 53.342 53.050 -0.084 0.000 0.855 99 N CB 1.045 39.489 38.487 -0.072 0.000 0.974 99 N HN 0.088 8.468 8.380 -0.000 0.000 0.482 100 G N 0.041 108.764 108.800 -0.129 0.000 2.141 100 G HA2 -0.239 3.737 3.960 0.026 0.000 0.231 100 G HA3 -0.239 3.737 3.960 0.026 0.000 0.231 100 G C -0.146 174.673 174.900 -0.134 0.000 0.984 100 G CA -0.082 44.924 45.100 -0.156 0.000 0.660 100 G HN 0.283 8.573 8.290 -0.000 0.000 0.525 101 S N -0.733 114.902 115.700 -0.109 0.000 2.578 101 S HA 0.900 5.386 4.470 0.026 0.000 0.301 101 S C 0.278 174.864 174.600 -0.025 0.000 1.091 101 S CA -0.022 58.135 58.200 -0.072 0.000 1.032 101 S CB 2.221 65.382 63.200 -0.066 0.000 1.064 101 S HN 1.644 9.954 8.310 -0.000 0.000 0.508 102 G N 0.979 109.784 108.800 0.009 0.000 2.755 102 G HA2 0.470 4.446 3.960 0.026 0.000 0.297 102 G HA3 0.470 4.446 3.960 0.026 0.000 0.297 102 G C -1.636 173.276 174.900 0.019 0.000 1.441 102 G CA -0.712 44.440 45.100 0.087 0.000 0.964 102 G HN 0.411 8.701 8.290 -0.000 0.000 0.540 103 Q N 0.486 120.301 119.800 0.026 0.000 2.392 103 Q HA 0.115 4.471 4.340 0.026 0.000 0.262 103 Q C 0.653 176.686 176.000 0.055 0.000 1.003 103 Q CA -0.356 55.435 55.803 -0.020 0.000 0.888 103 Q CB 0.772 29.506 28.738 -0.007 0.000 1.260 103 Q HN 0.616 8.886 8.270 -0.000 0.000 0.435 104 Y N 0.915 121.190 120.300 -0.042 0.000 2.207 104 Y HA -0.248 4.317 4.550 0.026 0.000 0.287 104 Y C 2.468 178.318 175.900 -0.084 0.000 1.156 104 Y CA 1.465 59.530 58.100 -0.059 0.000 1.182 104 Y CB -0.779 37.648 38.460 -0.055 0.000 0.979 104 Y HN 0.702 8.982 8.280 -0.000 0.000 0.521 105 S N -1.455 114.297 115.700 0.086 0.000 2.370 105 S HA -0.207 4.279 4.470 0.026 0.000 0.226 105 S C 1.986 176.521 174.600 -0.108 0.000 1.033 105 S CA 1.856 60.047 58.200 -0.015 0.000 1.011 105 S CB -1.074 62.114 63.200 -0.020 0.000 0.852 105 S HN 0.429 8.739 8.310 -0.000 0.000 0.457 106 T N 2.569 117.039 114.554 -0.140 0.000 2.777 106 T HA 0.174 4.540 4.350 0.026 0.000 0.266 106 T C 1.781 176.258 174.700 -0.372 0.000 1.040 106 T CA 1.378 63.268 62.100 -0.349 0.000 1.141 106 T CB -0.465 68.233 68.868 -0.283 0.000 0.868 106 T HN 0.391 8.631 8.240 -0.000 0.000 0.444 107 I N 0.556 121.045 120.570 -0.134 0.000 2.286 107 I HA -0.118 4.068 4.170 0.026 0.000 0.248 107 I C 2.200 178.258 176.117 -0.099 0.000 1.115 107 I CA 1.178 62.435 61.300 -0.073 0.000 1.392 107 I CB -0.362 37.675 38.000 0.062 0.000 1.065 107 I HN 0.207 8.417 8.210 -0.000 0.000 0.418 108 I N 0.681 121.189 120.570 -0.103 0.000 2.179 108 I HA -0.308 3.878 4.170 0.026 0.000 0.242 108 I C 2.790 178.850 176.117 -0.095 0.000 1.088 108 I CA 1.423 62.663 61.300 -0.099 0.000 1.357 108 I CB -0.438 37.505 38.000 -0.095 0.000 1.051 108 I HN 0.189 8.399 8.210 -0.000 0.000 0.409 109 A N 0.797 123.522 122.820 -0.158 0.000 1.908 109 A HA -0.156 4.180 4.320 0.026 0.000 0.218 109 A C 2.439 180.011 177.584 -0.020 0.000 1.181 109 A CA 1.956 53.918 52.037 -0.125 0.000 0.627 109 A CB -1.491 17.344 19.000 -0.274 0.000 0.818 109 A HN 0.471 8.621 8.150 -0.000 0.000 0.445 110 G N -0.828 107.880 108.800 -0.154 0.000 2.422 110 G HA2 -0.226 3.749 3.960 0.026 0.000 0.218 110 G HA3 -0.226 3.749 3.960 0.026 0.000 0.218 110 G C 1.638 176.635 174.900 0.161 0.000 1.146 110 G CA 1.196 46.368 45.100 0.120 0.000 0.769 110 G HN 0.472 8.762 8.290 -0.000 0.000 0.547 111 M N 0.406 120.033 119.600 0.045 0.000 2.132 111 M HA -0.015 4.480 4.480 0.026 0.000 0.263 111 M C 2.012 178.308 176.300 -0.007 0.000 1.065 111 M CA 1.200 56.506 55.300 0.010 0.000 1.122 111 M CB -0.238 32.347 32.600 -0.025 0.000 1.365 111 M HN 0.074 8.364 8.290 -0.000 0.000 0.411 112 D N 0.086 120.493 120.400 0.012 0.000 2.144 112 D HA -0.139 4.517 4.640 0.026 0.000 0.200 112 D C 1.669 177.969 176.300 0.001 0.000 0.978 112 D CA 1.087 55.084 54.000 -0.005 0.000 0.833 112 D CB -0.319 40.485 40.800 0.007 0.000 0.961 112 D HN 0.264 8.634 8.370 -0.000 0.000 0.470 113 F N 1.746 121.682 119.950 -0.024 0.000 2.095 113 F HA -0.232 4.311 4.527 0.026 0.000 0.298 113 F C 2.138 177.868 175.800 -0.118 0.000 1.104 113 F CA 1.111 59.098 58.000 -0.023 0.000 1.232 113 F CB -0.332 38.710 39.000 0.071 0.000 0.987 113 F HN -0.224 8.076 8.300 -0.000 0.000 0.475 114 V N 0.672 120.426 119.914 -0.266 0.000 2.407 114 V HA -0.283 3.853 4.120 0.026 0.000 0.248 114 V C 2.768 178.535 176.094 -0.544 0.000 1.055 114 V CA 1.648 63.578 62.300 -0.616 0.000 1.049 114 V CB -1.618 29.870 31.823 -0.559 0.000 0.662 114 V HN 0.512 8.702 8.190 -0.000 0.000 0.455 115 A N -0.785 121.843 122.820 -0.320 0.000 1.972 115 A HA -0.220 4.116 4.320 0.026 0.000 0.219 115 A C 2.528 179.970 177.584 -0.237 0.000 1.169 115 A CA 2.315 54.214 52.037 -0.229 0.000 0.635 115 A CB -0.477 18.438 19.000 -0.143 0.000 0.810 115 A HN 0.509 8.659 8.150 -0.000 0.000 0.446 116 S N -0.940 114.581 115.700 -0.300 0.000 2.412 116 S HA -0.091 4.395 4.470 0.026 0.000 0.223 116 S C 1.759 176.151 174.600 -0.347 0.000 1.048 116 S CA 1.142 59.179 58.200 -0.272 0.000 0.954 116 S CB -0.347 62.716 63.200 -0.228 0.000 0.840 116 S HN 0.574 8.884 8.310 -0.000 0.000 0.503 117 D N 1.572 121.609 120.400 -0.605 0.000 2.182 117 D HA -0.186 4.470 4.640 0.026 0.000 0.201 117 D C 2.015 178.144 176.300 -0.285 0.000 0.986 117 D CA 1.602 55.253 54.000 -0.581 0.000 0.847 117 D CB -0.164 40.019 40.800 -1.029 0.000 0.942 117 D HN 0.690 9.060 8.370 -0.000 0.000 0.467 118 K N -0.166 120.089 120.400 -0.242 0.000 2.209 118 K HA -0.130 4.205 4.320 0.026 0.000 0.204 118 K C 1.455 178.020 176.600 -0.059 0.000 1.048 118 K CA 1.442 57.698 56.287 -0.052 0.000 0.940 118 K CB -0.421 32.054 32.500 -0.042 0.000 0.729 118 K HN 0.151 8.401 8.250 -0.000 0.000 0.451 119 N N 1.302 119.940 118.700 -0.104 0.000 2.573 119 N HA -0.113 4.643 4.740 0.026 0.000 0.187 119 N C -0.045 175.427 175.510 -0.063 0.000 1.107 119 N CA 1.026 54.032 53.050 -0.074 0.000 0.918 119 N CB -0.089 38.346 38.487 -0.086 0.000 0.966 119 N HN 0.544 8.924 8.380 -0.000 0.000 0.448 120 N N -0.459 118.194 118.700 -0.078 0.000 2.433 120 N HA 0.150 4.905 4.740 0.026 0.000 0.270 120 N C -0.893 174.581 175.510 -0.060 0.000 1.354 120 N CA -0.385 52.627 53.050 -0.063 0.000 0.889 120 N CB 0.546 38.992 38.487 -0.069 0.000 1.285 120 N HN -0.153 8.227 8.380 -0.000 0.000 0.503 121 R N -0.078 120.398 120.500 -0.040 0.000 2.803 121 R HA 0.395 4.751 4.340 0.026 0.000 0.276 121 R C -1.022 175.307 176.300 0.048 0.000 0.978 121 R CA -0.741 55.353 56.100 -0.009 0.000 0.939 121 R CB 0.888 31.162 30.300 -0.043 0.000 1.179 121 R HN 0.097 8.367 8.270 -0.000 0.000 0.472 122 N N 0.484 119.232 118.700 0.080 0.000 2.469 122 N HA 0.183 4.939 4.740 0.026 0.000 0.239 122 N C -1.167 174.395 175.510 0.086 0.000 1.053 122 N CA -0.068 53.021 53.050 0.065 0.000 0.937 122 N CB 0.273 38.789 38.487 0.048 0.000 1.163 122 N HN 0.418 8.798 8.380 -0.000 0.000 0.509 123 c N 5.465 124.111 118.600 0.077 0.000 3.335 123 c HA 0.291 4.876 4.570 0.026 0.000 0.217 123 c C -0.842 173.274 174.090 0.043 0.000 1.330 123 c CA -1.006 55.368 56.329 0.075 0.000 1.470 123 c CB 0.726 43.310 42.510 0.123 0.000 1.806 123 c HN 0.611 8.841 8.230 -0.000 0.000 0.468 124 P HA -0.151 4.269 4.420 -0.000 0.000 0.219 124 P C 1.146 178.449 177.300 0.004 0.000 1.146 124 P CA 1.504 64.610 63.100 0.011 0.000 0.808 124 P CB 0.274 31.977 31.700 0.004 0.000 0.779 125 K N -0.430 119.972 120.400 0.002 0.000 2.404 125 K HA 0.323 4.659 4.320 0.026 0.000 0.194 125 K C 1.238 177.839 176.600 0.001 0.000 1.023 125 K CA 0.482 56.764 56.287 -0.009 0.000 1.094 125 K CB 0.228 32.716 32.500 -0.020 0.000 0.841 125 K HN 0.301 8.551 8.250 -0.000 0.000 0.523 126 G N -0.055 108.758 108.800 0.021 0.000 2.392 126 G HA2 -0.086 3.889 3.960 0.026 0.000 0.677 126 G HA3 -0.086 3.889 3.960 0.026 0.000 0.677 126 G C -1.464 173.477 174.900 0.068 0.000 1.334 126 G CA -0.945 44.176 45.100 0.035 0.000 0.961 126 G HN -0.109 8.181 8.290 -0.000 0.000 0.616 127 V N -0.290 119.676 119.914 0.086 0.000 2.604 127 V HA 0.806 4.942 4.120 0.026 0.000 0.305 127 V C 0.206 176.378 176.094 0.129 0.000 1.043 127 V CA -0.762 61.627 62.300 0.148 0.000 0.888 127 V CB 1.695 33.627 31.823 0.182 0.000 0.995 127 V HN 1.035 9.225 8.190 -0.000 0.000 0.429 128 V N 2.396 122.411 119.914 0.169 0.000 2.823 128 V HA 0.932 5.068 4.120 0.026 0.000 0.312 128 V C -0.073 176.138 176.094 0.194 0.000 1.072 128 V CA -0.595 61.787 62.300 0.136 0.000 0.937 128 V CB 2.078 33.961 31.823 0.100 0.000 1.013 128 V HN 1.061 9.251 8.190 -0.000 0.000 0.430 129 A N 1.952 124.856 122.820 0.140 0.000 2.356 129 A HA 0.824 5.160 4.320 0.026 0.000 0.310 129 A C -0.550 177.101 177.584 0.111 0.000 1.075 129 A CA -0.507 51.621 52.037 0.152 0.000 0.746 129 A CB 1.891 20.943 19.000 0.087 0.000 1.221 129 A HN 0.729 8.879 8.150 -0.000 0.000 0.443 130 S N 1.531 117.302 115.700 0.118 0.000 2.498 130 S HA 0.624 5.109 4.470 0.026 0.000 0.317 130 S C -1.210 173.447 174.600 0.096 0.000 1.090 130 S CA -0.378 57.877 58.200 0.091 0.000 1.089 130 S CB 0.041 63.286 63.200 0.074 0.000 0.997 130 S HN 0.539 8.849 8.310 -0.000 0.000 0.470 131 L N 4.678 125.952 121.223 0.085 0.000 2.387 131 L HA 0.405 4.760 4.340 0.026 0.000 0.259 131 L C 0.313 177.241 176.870 0.097 0.000 1.050 131 L CA 0.025 54.918 54.840 0.089 0.000 0.922 131 L CB 1.401 43.501 42.059 0.069 0.000 1.280 131 L HN 0.524 8.754 8.230 -0.000 0.000 0.449 132 S N 4.017 119.794 115.700 0.128 0.000 3.983 132 S HA 0.517 5.002 4.470 0.026 0.000 0.194 132 S C -0.169 174.532 174.600 0.169 0.000 1.464 132 S CA -0.392 57.906 58.200 0.162 0.000 1.021 132 S CB -0.708 62.618 63.200 0.211 0.000 1.424 132 S HN 0.403 8.713 8.310 -0.000 0.000 0.473 133 L N -2.272 119.013 121.223 0.104 0.000 2.600 133 L HA 1.102 5.458 4.340 0.026 0.000 0.257 133 L C -0.349 176.569 176.870 0.081 0.000 1.048 133 L CA -0.808 54.075 54.840 0.072 0.000 0.869 133 L CB 0.973 43.075 42.059 0.072 0.000 1.482 133 L HN 0.148 8.378 8.230 -0.000 0.000 0.408 134 G N -2.074 106.784 108.800 0.096 0.000 2.355 134 G HA2 0.673 4.649 3.960 0.026 0.000 0.296 134 G HA3 0.673 4.649 3.960 0.026 0.000 0.296 134 G C -1.179 173.839 174.900 0.196 0.000 1.507 134 G CA 0.079 45.269 45.100 0.150 0.000 0.823 134 G HN 1.327 9.617 8.290 -0.000 0.000 0.569 135 G N -1.443 107.549 108.800 0.320 0.000 2.731 135 G HA2 0.818 4.794 3.960 0.026 0.000 0.309 135 G HA3 0.818 4.794 3.960 0.026 0.000 0.309 135 G C 0.289 175.436 174.900 0.413 0.000 1.273 135 G CA 0.446 45.739 45.100 0.323 0.000 0.798 135 G HN 1.599 9.889 8.290 -0.000 0.000 0.509 136 G N -1.444 107.529 108.800 0.288 0.000 2.664 136 G HA2 0.397 4.372 3.960 0.026 0.000 0.242 136 G HA3 0.397 4.372 3.960 0.026 0.000 0.242 136 G C -0.155 174.847 174.900 0.170 0.000 1.225 136 G CA -0.123 45.067 45.100 0.151 0.000 0.849 136 G HN 0.821 9.111 8.290 -0.000 0.000 0.581 137 Y N 0.754 121.023 120.300 -0.052 0.000 2.895 137 Y HA 0.239 4.805 4.550 0.026 0.000 0.334 137 Y C 0.669 176.567 175.900 -0.002 0.000 1.261 137 Y CA 1.119 59.193 58.100 -0.043 0.000 1.560 137 Y CB 0.458 38.864 38.460 -0.089 0.000 1.253 137 Y HN 0.497 8.777 8.280 -0.000 0.000 0.582 138 S N 4.300 119.459 115.700 -0.903 0.000 2.720 138 S HA 0.216 4.702 4.470 0.026 0.000 0.278 138 S C 0.361 174.462 174.600 -0.831 0.000 1.172 138 S CA -0.171 57.623 58.200 -0.677 0.000 1.019 138 S CB 1.317 64.208 63.200 -0.516 0.000 1.049 138 S HN 0.865 9.175 8.310 -0.000 0.000 0.483 139 S N 3.517 118.855 115.700 -0.604 0.000 2.383 139 S HA -0.074 4.411 4.470 0.026 0.000 0.229 139 S C 1.830 176.286 174.600 -0.239 0.000 1.030 139 S CA 2.157 60.165 58.200 -0.320 0.000 1.002 139 S CB -0.368 62.795 63.200 -0.062 0.000 0.829 139 S HN 0.758 9.068 8.310 -0.000 0.000 0.467 140 S N 0.388 115.952 115.700 -0.227 0.000 2.368 140 S HA -0.021 4.464 4.470 0.026 0.000 0.224 140 S C 1.856 176.313 174.600 -0.238 0.000 1.029 140 S CA 1.207 59.297 58.200 -0.183 0.000 0.988 140 S CB -0.297 62.819 63.200 -0.139 0.000 0.838 140 S HN 0.420 8.730 8.310 -0.000 0.000 0.462 141 V N 2.718 122.408 119.914 -0.374 0.000 2.358 141 V HA -0.125 4.010 4.120 0.026 0.000 0.246 141 V C 2.047 177.973 176.094 -0.279 0.000 1.047 141 V CA 1.484 63.539 62.300 -0.407 0.000 1.035 141 V CB -0.808 30.584 31.823 -0.719 0.000 0.658 141 V HN 0.378 8.568 8.190 -0.000 0.000 0.452 142 N N 0.340 118.868 118.700 -0.287 0.000 2.120 142 N HA -0.129 4.627 4.740 0.026 0.000 0.188 142 N C 2.091 177.531 175.510 -0.117 0.000 1.024 142 N CA 1.738 54.681 53.050 -0.178 0.000 0.852 142 N CB -0.466 37.917 38.487 -0.173 0.000 1.003 142 N HN 0.356 8.736 8.380 -0.000 0.000 0.424 143 S N 0.354 115.982 115.700 -0.120 0.000 2.382 143 S HA -0.038 4.448 4.470 0.026 0.000 0.228 143 S C 2.016 176.570 174.600 -0.076 0.000 1.027 143 S CA 1.017 59.169 58.200 -0.080 0.000 0.991 143 S CB -0.303 62.853 63.200 -0.073 0.000 0.823 143 S HN 0.509 8.819 8.310 -0.000 0.000 0.469 144 A N 1.542 124.304 122.820 -0.097 0.000 1.902 144 A HA 0.119 4.455 4.320 0.026 0.000 0.217 144 A C 2.348 179.892 177.584 -0.068 0.000 1.181 144 A CA 1.658 53.646 52.037 -0.081 0.000 0.623 144 A CB -1.042 17.900 19.000 -0.097 0.000 0.818 144 A HN 0.509 8.659 8.150 -0.000 0.000 0.443 145 A N -0.134 122.642 122.820 -0.073 0.000 1.902 145 A HA 0.166 4.501 4.320 0.026 0.000 0.217 145 A C 2.486 180.048 177.584 -0.037 0.000 1.181 145 A CA 2.050 54.057 52.037 -0.050 0.000 0.623 145 A CB -0.964 18.006 19.000 -0.050 0.000 0.818 145 A HN 1.048 9.198 8.150 -0.000 0.000 0.443 146 A N -0.415 122.382 122.820 -0.039 0.000 1.930 146 A HA -0.123 4.212 4.320 0.026 0.000 0.217 146 A C 2.247 179.814 177.584 -0.028 0.000 1.175 146 A CA 1.370 53.391 52.037 -0.026 0.000 0.627 146 A CB -0.418 18.567 19.000 -0.024 0.000 0.815 146 A HN 0.538 8.688 8.150 -0.000 0.000 0.443 147 R N -1.242 119.235 120.500 -0.037 0.000 2.075 147 R HA -0.079 4.277 4.340 0.026 0.000 0.232 147 R C 2.093 178.368 176.300 -0.042 0.000 1.126 147 R CA 1.337 57.414 56.100 -0.038 0.000 0.963 147 R CB -0.552 29.722 30.300 -0.043 0.000 0.858 147 R HN 0.480 8.750 8.270 -0.000 0.000 0.435 148 L N 1.425 122.621 121.223 -0.046 0.000 2.046 148 L HA -0.214 4.142 4.340 0.026 0.000 0.208 148 L C 2.388 179.234 176.870 -0.039 0.000 1.077 148 L CA 1.871 56.679 54.840 -0.054 0.000 0.747 148 L CB -0.605 41.423 42.059 -0.052 0.000 0.896 148 L HN 0.060 8.290 8.230 -0.000 0.000 0.432 149 Q N -0.779 119.007 119.800 -0.024 0.000 2.050 149 Q HA -0.166 4.189 4.340 0.026 0.000 0.202 149 Q C 2.318 178.310 176.000 -0.012 0.000 0.980 149 Q CA 2.315 58.111 55.803 -0.011 0.000 0.840 149 Q CB -0.485 28.252 28.738 -0.002 0.000 0.898 149 Q HN 0.529 8.799 8.270 -0.000 0.000 0.424 150 S N -0.050 115.641 115.700 -0.016 0.000 2.400 150 S HA -0.154 4.331 4.470 0.026 0.000 0.232 150 S C 1.796 176.383 174.600 -0.022 0.000 1.025 150 S CA 1.165 59.355 58.200 -0.016 0.000 0.993 150 S CB -0.501 62.689 63.200 -0.018 0.000 0.808 150 S HN 0.689 8.999 8.310 -0.000 0.000 0.478 151 S N 0.460 116.141 115.700 -0.032 0.000 2.547 151 S HA 0.199 4.684 4.470 0.026 0.000 0.235 151 S C 1.319 175.899 174.600 -0.034 0.000 0.980 151 S CA 0.939 59.115 58.200 -0.041 0.000 0.941 151 S CB -0.210 62.953 63.200 -0.062 0.000 0.763 151 S HN 0.821 9.131 8.310 -0.000 0.000 0.532 152 G N -0.469 108.317 108.800 -0.022 0.000 2.151 152 G HA2 -0.118 3.857 3.960 0.026 0.000 0.156 152 G HA3 -0.118 3.857 3.960 0.026 0.000 0.156 152 G C -0.274 174.624 174.900 -0.003 0.000 1.017 152 G CA -0.226 44.867 45.100 -0.012 0.000 0.686 152 G HN 0.662 8.952 8.290 -0.000 0.000 0.503 153 V N 1.031 120.941 119.914 -0.006 0.000 2.555 153 V HA 0.723 4.859 4.120 0.026 0.000 0.302 153 V C 0.533 176.640 176.094 0.022 0.000 1.038 153 V CA -0.857 61.449 62.300 0.009 0.000 0.887 153 V CB 1.756 33.569 31.823 -0.017 0.000 0.991 153 V HN 0.405 8.595 8.190 -0.000 0.000 0.434 154 M N 6.607 126.232 119.600 0.042 0.000 2.341 154 M HA 0.319 4.815 4.480 0.026 0.000 0.336 154 M C -0.805 175.526 176.300 0.052 0.000 1.489 154 M CA 0.189 55.517 55.300 0.047 0.000 1.278 154 M CB 0.201 32.835 32.600 0.056 0.000 1.657 154 M HN 0.373 8.663 8.290 -0.000 0.000 0.455 155 V N 5.621 125.559 119.914 0.041 0.000 2.383 155 V HA 0.753 4.889 4.120 0.026 0.000 0.275 155 V C 0.251 176.372 176.094 0.045 0.000 1.036 155 V CA -0.619 61.705 62.300 0.040 0.000 0.889 155 V CB 0.481 32.318 31.823 0.022 0.000 0.985 155 V HN 0.910 9.100 8.190 -0.000 0.000 0.459 156 A N 5.433 128.285 122.820 0.053 0.000 2.318 156 A HA 0.885 5.221 4.320 0.026 0.000 0.317 156 A C -0.518 177.096 177.584 0.051 0.000 1.159 156 A CA -0.529 51.539 52.037 0.052 0.000 0.799 156 A CB 1.600 20.637 19.000 0.062 0.000 1.194 156 A HN 1.318 9.468 8.150 -0.000 0.000 0.479 157 V N -0.269 119.670 119.914 0.041 0.000 2.962 157 V HA 0.934 5.070 4.120 0.026 0.000 0.313 157 V C 0.239 176.355 176.094 0.038 0.000 1.099 157 V CA -0.547 61.778 62.300 0.043 0.000 0.971 157 V CB 1.260 33.104 31.823 0.034 0.000 1.028 157 V HN 1.726 9.916 8.190 -0.000 0.000 0.430 158 A N 2.456 125.305 122.820 0.049 0.000 2.425 158 A HA 0.730 5.065 4.320 0.026 0.000 0.249 158 A C 1.444 179.039 177.584 0.019 0.000 1.084 158 A CA 0.169 52.232 52.037 0.043 0.000 0.781 158 A CB 0.783 19.821 19.000 0.063 0.000 1.019 158 A HN 2.154 10.304 8.150 -0.000 0.000 0.490 159 A N 1.935 124.751 122.820 -0.007 0.000 2.067 159 A HA 0.448 4.784 4.320 0.026 0.000 0.219 159 A C 1.466 179.019 177.584 -0.052 0.000 1.158 159 A CA 1.552 53.570 52.037 -0.031 0.000 0.661 159 A CB -0.914 18.039 19.000 -0.079 0.000 0.801 159 A HN 2.844 10.994 8.150 -0.000 0.000 0.452 160 G N -1.445 107.326 108.800 -0.048 0.000 2.587 160 G HA2 -0.012 3.964 3.960 0.026 0.000 0.686 160 G HA3 -0.012 3.964 3.960 0.026 0.000 0.686 160 G C -0.784 174.071 174.900 -0.076 0.000 1.236 160 G CA -0.265 44.750 45.100 -0.141 0.000 0.820 160 G HN 0.255 8.546 8.290 -0.000 0.000 0.645 161 N N 1.095 119.742 118.700 -0.089 0.000 2.635 161 N HA 0.184 4.939 4.740 0.026 0.000 0.307 161 N C 0.718 176.235 175.510 0.012 0.000 1.433 161 N CA -0.385 52.700 53.050 0.058 0.000 0.973 161 N CB 0.285 38.736 38.487 -0.061 0.000 1.304 161 N HN 0.545 8.925 8.380 -0.000 0.000 0.507 162 N N 0.757 119.395 118.700 -0.103 0.000 2.205 162 N HA -0.016 4.739 4.740 0.026 0.000 0.201 162 N C -0.106 175.418 175.510 0.024 0.000 1.128 162 N CA -0.089 52.913 53.050 -0.080 0.000 0.867 162 N CB 0.328 38.660 38.487 -0.257 0.000 0.996 162 N HN 0.120 8.500 8.380 -0.000 0.000 0.503 163 N N 1.039 119.782 118.700 0.070 0.000 2.714 163 N HA -0.221 4.535 4.740 0.026 0.000 0.253 163 N C -1.020 174.574 175.510 0.139 0.000 1.024 163 N CA 0.723 53.872 53.050 0.166 0.000 0.726 163 N CB -1.001 37.596 38.487 0.185 0.000 0.908 163 N HN 0.480 8.860 8.380 -0.000 0.000 0.542 164 A N -0.364 122.351 122.820 -0.174 0.000 2.529 164 A HA 0.497 4.833 4.320 0.026 0.000 0.296 164 A C -1.198 175.895 177.584 -0.819 0.000 1.205 164 A CA -0.457 51.372 52.037 -0.346 0.000 0.671 164 A CB 0.864 19.885 19.000 0.036 0.000 1.301 164 A HN 0.253 8.403 8.150 -0.000 0.000 0.450 165 D N 0.781 120.870 120.400 -0.518 0.000 2.383 165 D HA 0.376 5.032 4.640 0.026 0.000 0.252 165 D C 1.218 177.497 176.300 -0.036 0.000 1.166 165 D CA 0.715 54.504 54.000 -0.352 0.000 0.879 165 D CB 1.543 42.291 40.800 -0.087 0.000 1.164 165 D HN 0.605 8.975 8.370 -0.000 0.000 0.462 166 A N 5.007 127.815 122.820 -0.019 0.000 2.216 166 A HA -0.162 4.174 4.320 0.026 0.000 0.214 166 A C 2.010 179.701 177.584 0.177 0.000 1.160 166 A CA 0.681 52.813 52.037 0.159 0.000 0.725 166 A CB -0.339 18.695 19.000 0.056 0.000 0.784 166 A HN 0.756 8.906 8.150 -0.000 0.000 0.472 167 R N -0.547 120.001 120.500 0.080 0.000 2.241 167 R HA -0.063 4.293 4.340 0.026 0.000 0.224 167 R C 0.104 176.406 176.300 0.003 0.000 1.101 167 R CA 1.529 57.653 56.100 0.041 0.000 0.995 167 R CB -0.434 29.864 30.300 -0.004 0.000 0.870 167 R HN 0.295 8.565 8.270 -0.000 0.000 0.463 168 N N -0.361 118.296 118.700 -0.073 0.000 2.268 168 N HA 0.103 4.859 4.740 0.026 0.000 0.204 168 N C -1.211 173.952 175.510 -0.578 0.000 1.124 168 N CA 0.214 53.078 53.050 -0.310 0.000 0.838 168 N CB 0.333 38.543 38.487 -0.462 0.000 0.994 168 N HN 0.215 8.595 8.380 -0.000 0.000 0.489 169 Y N -0.834 119.543 120.300 0.129 0.000 2.512 169 Y HA 0.499 5.066 4.550 0.028 0.000 0.348 169 Y C 0.121 176.075 175.900 0.089 0.000 0.990 169 Y CA -0.883 57.283 58.100 0.110 0.000 1.033 169 Y CB 1.780 40.277 38.460 0.062 0.000 1.259 169 Y HN -0.307 7.973 8.280 -0.000 0.000 0.461 170 S N 3.098 118.907 115.700 0.182 0.000 2.536 170 S HA 0.380 4.866 4.470 0.026 0.000 0.298 170 S C -2.363 172.262 174.600 0.041 0.000 1.083 170 S CA -1.349 56.857 58.200 0.011 0.000 0.995 170 S CB 1.966 65.025 63.200 -0.236 0.000 1.058 170 S HN 0.486 8.796 8.310 -0.000 0.000 0.488 171 P HA 0.194 4.614 4.420 -0.000 0.000 0.257 171 P C 0.883 178.192 177.300 0.015 0.000 1.325 171 P CA 0.045 63.120 63.100 -0.042 0.000 0.850 171 P CB -0.083 31.586 31.700 -0.050 0.000 1.324 172 A N 1.810 124.667 122.820 0.062 0.000 1.948 172 A HA -0.213 4.123 4.320 0.026 0.000 0.220 172 A C 2.289 179.916 177.584 0.072 0.000 1.177 172 A CA 2.498 54.577 52.037 0.070 0.000 0.636 172 A CB -1.476 17.584 19.000 0.101 0.000 0.815 172 A HN 0.417 8.567 8.150 -0.000 0.000 0.449 173 S N -0.521 115.239 115.700 0.100 0.000 2.561 173 S HA 0.053 4.539 4.470 0.026 0.000 0.225 173 S C 0.620 175.274 174.600 0.089 0.000 0.977 173 S CA 0.561 58.830 58.200 0.116 0.000 0.926 173 S CB -0.209 63.119 63.200 0.213 0.000 0.769 173 S HN 0.518 8.828 8.310 -0.000 0.000 0.533 174 E N 3.153 123.381 120.200 0.047 0.000 2.265 174 E HA 0.251 4.617 4.350 0.026 0.000 0.272 174 E C -1.881 174.737 176.600 0.029 0.000 1.067 174 E CA -2.436 53.980 56.400 0.028 0.000 0.900 174 E CB 0.819 30.515 29.700 -0.007 0.000 1.017 174 E HN 0.083 8.443 8.360 -0.000 0.000 0.431 175 P HA -0.167 4.253 4.420 -0.000 0.000 0.215 175 P C 0.867 178.181 177.300 0.023 0.000 1.153 175 P CA 1.601 64.718 63.100 0.028 0.000 0.853 175 P CB 0.105 31.822 31.700 0.028 0.000 0.788 176 S N -1.535 114.176 115.700 0.018 0.000 2.603 176 S HA 0.036 4.522 4.470 0.026 0.000 0.229 176 S C 0.913 175.524 174.600 0.018 0.000 0.972 176 S CA 0.215 58.425 58.200 0.016 0.000 0.935 176 S CB -1.528 61.678 63.200 0.010 0.000 0.769 176 S HN 0.068 8.378 8.310 -0.000 0.000 0.536 177 V N -2.230 117.694 119.914 0.017 0.000 3.406 177 V HA 0.602 4.738 4.120 0.026 0.000 0.305 177 V C 0.260 176.370 176.094 0.026 0.000 1.136 177 V CA -1.443 60.869 62.300 0.020 0.000 1.011 177 V CB 0.838 32.670 31.823 0.014 0.000 1.221 177 V HN 0.243 8.433 8.190 -0.000 0.000 0.454 178 c N 1.648 120.266 118.600 0.030 0.000 2.203 178 c HA 0.637 5.223 4.570 0.026 0.000 0.325 178 c C 0.647 174.749 174.090 0.020 0.000 1.156 178 c CA 0.013 56.361 56.329 0.032 0.000 1.597 178 c CB -1.045 41.493 42.510 0.047 0.000 2.148 178 c HN 0.978 9.208 8.230 -0.000 0.000 0.472 179 T N 5.162 119.719 114.554 0.005 0.000 2.749 179 T HA 0.380 4.746 4.350 0.026 0.000 0.295 179 T C -0.096 174.569 174.700 -0.058 0.000 0.936 179 T CA -0.137 61.954 62.100 -0.014 0.000 1.060 179 T CB 0.730 69.591 68.868 -0.011 0.000 0.904 179 T HN 0.483 8.723 8.240 -0.000 0.000 0.500 180 V N 3.335 123.211 119.914 -0.062 0.000 2.417 180 V HA 0.690 4.826 4.120 0.026 0.000 0.291 180 V C 0.845 176.825 176.094 -0.190 0.000 1.024 180 V CA -0.840 61.394 62.300 -0.110 0.000 0.861 180 V CB 1.627 33.439 31.823 -0.018 0.000 0.985 180 V HN 0.992 9.182 8.190 -0.000 0.000 0.436 181 G N 2.715 111.226 108.800 -0.482 0.000 2.502 181 G HA2 0.717 4.693 3.960 0.026 0.000 0.305 181 G HA3 0.717 4.693 3.960 0.026 0.000 0.305 181 G C -0.443 174.392 174.900 -0.107 0.000 1.190 181 G CA -0.209 44.551 45.100 -0.567 0.000 0.933 181 G HN 1.078 9.368 8.290 -0.000 0.000 0.503 182 A N -0.147 122.793 122.820 0.199 0.000 2.340 182 A HA 0.830 5.165 4.320 0.026 0.000 0.331 182 A C 0.276 178.069 177.584 0.348 0.000 1.140 182 A CA -0.123 52.090 52.037 0.294 0.000 0.801 182 A CB 1.355 20.546 19.000 0.319 0.000 1.234 182 A HN 1.635 9.785 8.150 -0.000 0.000 0.469 183 S N 0.581 116.445 115.700 0.273 0.000 2.634 183 S HA 0.775 5.261 4.470 0.026 0.000 0.296 183 S C -0.894 173.843 174.600 0.229 0.000 1.104 183 S CA -0.508 57.798 58.200 0.177 0.000 0.920 183 S CB 1.642 64.933 63.200 0.152 0.000 1.111 183 S HN 0.856 9.166 8.310 -0.000 0.000 0.493 184 D N -0.381 120.066 120.400 0.079 0.000 2.494 184 D HA 0.362 5.018 4.640 0.026 0.000 0.259 184 D C 1.036 177.007 176.300 -0.549 0.000 1.109 184 D CA -1.127 52.840 54.000 -0.054 0.000 1.040 184 D CB 0.643 41.400 40.800 -0.071 0.000 1.175 184 D HN 0.549 8.919 8.370 -0.000 0.000 0.584 185 R N -1.003 118.725 120.500 -1.286 0.000 2.170 185 R HA -0.189 4.167 4.340 0.026 0.000 0.242 185 R C 0.513 176.198 176.300 -1.024 0.000 1.145 185 R CA 1.317 56.349 56.100 -1.781 0.000 0.984 185 R CB -0.283 28.988 30.300 -1.716 0.000 0.869 185 R HN 0.558 8.828 8.270 -0.000 0.000 0.455 186 Y N 0.429 120.503 120.300 -0.376 0.000 2.532 186 Y HA 0.165 4.727 4.550 0.019 0.000 0.283 186 Y C -0.146 175.660 175.900 -0.157 0.000 1.181 186 Y CA -0.262 57.707 58.100 -0.218 0.000 1.256 186 Y CB 0.422 38.776 38.460 -0.176 0.000 1.112 186 Y HN 0.107 8.387 8.280 -0.000 0.000 0.521 187 D N 0.120 120.471 120.400 -0.082 0.000 2.981 187 D HA -0.208 4.448 4.640 0.026 0.000 0.223 187 D C -0.043 176.216 176.300 -0.068 0.000 1.151 187 D CA 0.558 54.525 54.000 -0.054 0.000 0.827 187 D CB -0.850 39.925 40.800 -0.042 0.000 1.101 187 D HN 0.379 8.749 8.370 -0.000 0.000 0.426 188 R N 0.245 120.710 120.500 -0.058 0.000 2.486 188 R HA 0.417 4.773 4.340 0.026 0.000 0.286 188 R C 0.775 177.009 176.300 -0.110 0.000 0.999 188 R CA -0.803 55.249 56.100 -0.079 0.000 0.993 188 R CB 1.318 31.588 30.300 -0.050 0.000 1.084 188 R HN 0.046 8.316 8.270 -0.000 0.000 0.487 189 R N 1.370 121.780 120.500 -0.149 0.000 2.522 189 R HA 0.008 4.364 4.340 0.026 0.000 0.284 189 R C -0.599 175.627 176.300 -0.124 0.000 1.032 189 R CA 0.213 56.232 56.100 -0.136 0.000 1.049 189 R CB 0.520 30.754 30.300 -0.111 0.000 0.956 189 R HN 0.545 8.815 8.270 -0.000 0.000 0.422 190 S N 2.625 118.224 115.700 -0.169 0.000 2.552 190 S HA -0.049 4.437 4.470 0.026 0.000 0.289 190 S C 1.222 175.519 174.600 -0.506 0.000 1.304 190 S CA -0.316 57.600 58.200 -0.474 0.000 1.063 190 S CB 1.324 63.967 63.200 -0.928 0.000 0.848 190 S HN 0.745 9.055 8.310 -0.000 0.000 0.499 191 S N 2.067 117.524 115.700 -0.405 0.000 2.392 191 S HA -0.189 4.297 4.470 0.026 0.000 0.232 191 S C 1.464 176.004 174.600 -0.100 0.000 1.041 191 S CA 1.921 60.018 58.200 -0.171 0.000 1.026 191 S CB -0.453 62.727 63.200 -0.034 0.000 0.845 191 S HN 0.877 9.187 8.310 -0.000 0.000 0.465 192 F N 1.411 121.414 119.950 0.088 0.000 2.664 192 F HA 0.423 4.964 4.527 0.024 0.000 0.296 192 F C 1.027 176.874 175.800 0.078 0.000 1.125 192 F CA -0.551 57.492 58.000 0.072 0.000 1.444 192 F CB -1.025 38.005 39.000 0.049 0.000 1.114 192 F HN -0.054 8.246 8.300 -0.000 0.000 0.576 193 S N 2.080 117.749 115.700 -0.053 0.000 2.546 193 S HA 0.028 4.513 4.470 0.026 0.000 0.290 193 S C 0.354 175.061 174.600 0.178 0.000 1.290 193 S CA -0.552 57.738 58.200 0.150 0.000 1.069 193 S CB -0.374 62.891 63.200 0.108 0.000 0.846 193 S HN 0.333 8.643 8.310 -0.000 0.000 0.495 194 N N 2.552 121.301 118.700 0.081 0.000 2.371 194 N HA 0.351 5.107 4.740 0.026 0.000 0.243 194 N C -0.308 175.235 175.510 0.054 0.000 1.287 194 N CA 0.206 53.221 53.050 -0.060 0.000 0.911 194 N CB 0.224 38.618 38.487 -0.154 0.000 1.142 194 N HN 0.736 9.116 8.380 -0.000 0.000 0.451 195 Y N -2.701 117.652 120.300 0.088 0.000 2.974 195 Y HA 0.851 5.417 4.550 0.026 0.000 0.310 195 Y C 0.408 176.358 175.900 0.084 0.000 1.526 195 Y CA -0.970 57.196 58.100 0.111 0.000 1.087 195 Y CB 0.518 39.071 38.460 0.155 0.000 1.404 195 Y HN 0.727 9.007 8.280 -0.000 0.000 0.491 196 G N -0.315 108.705 108.800 0.366 0.000 2.371 196 G HA2 0.182 4.158 3.960 0.026 0.000 0.663 196 G HA3 0.182 4.158 3.960 0.026 0.000 0.663 196 G C 0.219 175.191 174.900 0.120 0.000 1.311 196 G CA -0.138 45.093 45.100 0.220 0.000 0.985 196 G HN 1.495 9.785 8.290 -0.000 0.000 0.566 197 S N -1.401 114.343 115.700 0.073 0.000 2.447 197 S HA 0.006 4.491 4.470 0.026 0.000 0.233 197 S C 2.269 176.888 174.600 0.031 0.000 1.006 197 S CA 2.078 60.298 58.200 0.034 0.000 0.957 197 S CB 0.265 63.474 63.200 0.016 0.000 0.773 197 S HN 1.812 10.122 8.310 -0.000 0.000 0.507 198 V N 0.680 120.615 119.914 0.035 0.000 3.217 198 V HA 0.282 4.418 4.120 0.026 0.000 0.264 198 V C 0.533 176.636 176.094 0.016 0.000 1.135 198 V CA 0.308 62.625 62.300 0.028 0.000 1.142 198 V CB -0.649 31.195 31.823 0.036 0.000 0.754 198 V HN 0.421 8.611 8.190 -0.000 0.000 0.484 199 L N 1.011 122.239 121.223 0.009 0.000 2.453 199 L HA 0.164 4.520 4.340 0.026 0.000 0.272 199 L C 1.308 178.171 176.870 -0.012 0.000 1.182 199 L CA 0.921 55.739 54.840 -0.037 0.000 0.858 199 L CB 0.552 42.561 42.059 -0.083 0.000 1.120 199 L HN 0.234 8.464 8.230 -0.000 0.000 0.474 200 D N 2.478 122.864 120.400 -0.023 0.000 2.380 200 D HA 0.211 4.867 4.640 0.026 0.000 0.212 200 D C 0.037 176.358 176.300 0.035 0.000 1.021 200 D CA 0.645 54.655 54.000 0.016 0.000 0.884 200 D CB 1.163 41.977 40.800 0.023 0.000 1.001 200 D HN 0.274 8.644 8.370 -0.000 0.000 0.506 201 I N -0.972 119.591 120.570 -0.011 0.000 2.961 201 I HA 0.283 4.468 4.170 0.026 0.000 0.303 201 I C -2.001 174.087 176.117 -0.047 0.000 1.505 201 I CA -0.709 60.629 61.300 0.062 0.000 0.964 201 I CB 1.920 39.967 38.000 0.079 0.000 1.348 201 I HN -0.339 7.871 8.210 -0.000 0.000 0.508 202 F N 2.568 122.552 119.950 0.056 0.000 2.522 202 F HA 0.863 5.406 4.527 0.026 0.000 0.324 202 F C 0.688 176.511 175.800 0.038 0.000 1.077 202 F CA -0.138 57.892 58.000 0.051 0.000 0.944 202 F CB 2.275 41.301 39.000 0.045 0.000 1.175 202 F HN 0.499 8.799 8.300 -0.000 0.000 0.468 203 G N 1.505 110.415 108.800 0.183 0.000 2.642 203 G HA2 0.615 4.591 3.960 0.026 0.000 0.293 203 G HA3 0.615 4.591 3.960 0.026 0.000 0.293 203 G C -3.288 171.584 174.900 -0.047 0.000 1.341 203 G CA -2.043 43.077 45.100 0.032 0.000 0.916 203 G HN 0.211 8.501 8.290 -0.000 0.000 0.474 204 P HA 0.225 4.645 4.420 -0.000 0.000 0.267 204 P C 0.615 177.794 177.300 -0.201 0.000 1.209 204 P CA 0.487 63.352 63.100 -0.391 0.000 0.763 204 P CB 1.345 32.339 31.700 -1.178 0.000 0.816 205 G N 1.771 110.670 108.800 0.165 0.000 3.314 205 G HA2 0.046 4.021 3.960 0.026 0.000 0.230 205 G HA3 0.046 4.021 3.960 0.026 0.000 0.230 205 G C -0.102 175.056 174.900 0.429 0.000 1.058 205 G CA 0.133 45.405 45.100 0.287 0.000 0.926 205 G HN 0.408 8.698 8.290 -0.000 0.000 0.564 206 T N 1.553 116.403 114.554 0.492 0.000 2.767 206 T HA 0.473 4.839 4.350 0.026 0.000 0.284 206 T C 0.419 175.419 174.700 0.499 0.000 0.973 206 T CA 0.091 62.470 62.100 0.465 0.000 0.996 206 T CB 1.348 70.408 68.868 0.320 0.000 0.927 206 T HN 0.231 8.471 8.240 -0.000 0.000 0.456 207 S N 2.365 118.273 115.700 0.347 0.000 3.667 207 S HA -0.110 4.375 4.470 0.026 0.000 0.405 207 S C -0.063 174.761 174.600 0.374 0.000 0.913 207 S CA -0.099 58.287 58.200 0.310 0.000 1.288 207 S CB -1.197 62.166 63.200 0.272 0.000 0.905 207 S HN 0.558 8.868 8.310 -0.000 0.000 0.550 208 I N 1.951 122.668 120.570 0.245 0.000 2.330 208 I HA 0.355 4.541 4.170 0.026 0.000 0.289 208 I C 0.229 176.440 176.117 0.157 0.000 1.001 208 I CA -0.730 60.664 61.300 0.156 0.000 1.193 208 I CB 1.148 39.261 38.000 0.189 0.000 1.345 208 I HN 0.374 8.584 8.210 -0.000 0.000 0.461 209 L N 6.569 127.812 121.223 0.034 0.000 2.331 209 L HA 0.516 4.872 4.340 0.026 0.000 0.278 209 L C 0.210 176.843 176.870 -0.395 0.000 1.106 209 L CA 1.044 55.824 54.840 -0.099 0.000 0.824 209 L CB 0.983 42.999 42.059 -0.072 0.000 1.142 209 L HN 0.736 8.966 8.230 -0.000 0.000 0.443 210 S N 1.546 116.832 115.700 -0.690 0.000 2.703 210 S HA 0.600 5.086 4.470 0.026 0.000 0.273 210 S C -0.787 173.331 174.600 -0.804 0.000 1.178 210 S CA -0.090 57.505 58.200 -1.008 0.000 0.838 210 S CB 0.805 63.262 63.200 -1.239 0.000 1.178 210 S HN 0.913 9.223 8.310 -0.000 0.000 0.494 211 T N 0.452 114.658 114.554 -0.580 0.000 2.856 211 T HA 0.419 4.785 4.350 0.026 0.000 0.306 211 T C -0.387 174.359 174.700 0.077 0.000 1.062 211 T CA -0.226 61.656 62.100 -0.364 0.000 1.083 211 T CB 0.410 68.864 68.868 -0.689 0.000 0.984 211 T HN 0.557 8.797 8.240 -0.000 0.000 0.542 212 W N 2.229 123.518 121.300 -0.019 0.000 3.047 212 W HA 0.493 5.171 4.660 0.029 0.000 0.341 212 W C -0.573 176.047 176.519 0.168 0.000 1.225 212 W CA -1.610 55.789 57.345 0.091 0.000 1.150 212 W CB 1.600 31.104 29.460 0.073 0.000 1.470 212 W HN 0.925 9.105 8.180 -0.000 0.000 0.578 213 I N 0.663 121.096 120.570 -0.228 0.000 3.138 213 I HA 0.528 4.714 4.170 0.026 0.000 0.288 213 I C 1.157 177.344 176.117 0.116 0.000 1.148 213 I CA 0.913 62.179 61.300 -0.057 0.000 1.315 213 I CB 0.169 38.048 38.000 -0.202 0.000 1.426 213 I HN 0.761 8.971 8.210 -0.000 0.000 0.615 214 G N 1.791 110.628 108.800 0.060 0.000 2.143 214 G HA2 -0.073 3.902 3.960 0.026 0.000 0.248 214 G HA3 -0.073 3.902 3.960 0.026 0.000 0.248 214 G C 0.990 175.883 174.900 -0.011 0.000 0.991 214 G CA 0.265 45.393 45.100 0.047 0.000 0.689 214 G HN 2.229 10.519 8.290 -0.000 0.000 0.522 215 G N -1.413 107.330 108.800 -0.095 0.000 2.198 215 G HA2 0.097 4.073 3.960 0.026 0.000 0.260 215 G HA3 0.097 4.073 3.960 0.026 0.000 0.260 215 G C 0.792 175.574 174.900 -0.198 0.000 1.025 215 G CA 1.592 46.407 45.100 -0.475 0.000 0.769 215 G HN 2.372 10.662 8.290 -0.000 0.000 0.507 216 S N -1.285 114.499 115.700 0.139 0.000 2.713 216 S HA 0.935 5.421 4.470 0.026 0.000 0.296 216 S C 0.086 174.856 174.600 0.283 0.000 1.114 216 S CA 0.482 58.799 58.200 0.196 0.000 0.997 216 S CB 2.305 65.612 63.200 0.178 0.000 1.249 216 S HN 1.759 10.069 8.310 -0.000 0.000 0.534 217 T N -1.862 112.769 114.554 0.128 0.000 2.868 217 T HA 0.816 5.182 4.350 0.026 0.000 0.306 217 T C -1.020 173.634 174.700 -0.077 0.000 1.224 217 T CA -1.072 61.021 62.100 -0.011 0.000 1.012 217 T CB 1.706 70.469 68.868 -0.175 0.000 1.221 217 T HN 1.250 9.490 8.240 -0.000 0.000 0.499 218 R N -0.202 120.230 120.500 -0.113 0.000 2.709 218 R HA 0.680 5.036 4.340 0.026 0.000 0.270 218 R C -1.762 174.502 176.300 -0.059 0.000 1.038 218 R CA -0.948 55.043 56.100 -0.181 0.000 0.872 218 R CB 0.992 31.010 30.300 -0.469 0.000 1.259 218 R HN 0.544 8.814 8.270 -0.000 0.000 0.473 219 S N 1.759 117.411 115.700 -0.081 0.000 2.442 219 S HA 0.661 5.146 4.470 0.026 0.000 0.297 219 S C 0.056 174.609 174.600 -0.079 0.000 1.131 219 S CA -0.707 57.499 58.200 0.010 0.000 1.092 219 S CB 0.546 63.764 63.200 0.030 0.000 0.998 219 S HN 0.495 8.805 8.310 -0.000 0.000 0.478 220 I N -0.880 119.637 120.570 -0.088 0.000 3.191 220 I HA 0.783 4.969 4.170 0.026 0.000 0.313 220 I C -0.732 175.363 176.117 -0.037 0.000 1.193 220 I CA -0.897 60.311 61.300 -0.154 0.000 0.968 220 I CB 2.209 40.016 38.000 -0.322 0.000 1.262 220 I HN 0.377 8.587 8.210 -0.000 0.000 0.456 221 S N 0.327 116.000 115.700 -0.045 0.000 2.566 221 S HA 1.002 5.488 4.470 0.026 0.000 0.298 221 S C -0.249 174.223 174.600 -0.213 0.000 1.083 221 S CA -0.324 57.887 58.200 0.019 0.000 0.978 221 S CB 1.772 65.058 63.200 0.144 0.000 1.073 221 S HN 1.336 9.646 8.310 -0.000 0.000 0.491 222 G N 0.250 108.979 108.800 -0.118 0.000 2.347 222 G HA2 0.274 4.250 3.960 0.026 0.000 0.303 222 G HA3 0.274 4.250 3.960 0.026 0.000 0.303 222 G C 0.276 175.298 174.900 0.204 0.000 1.481 222 G CA -0.061 44.869 45.100 -0.283 0.000 0.914 222 G HN 0.712 9.002 8.290 -0.000 0.000 0.638 223 T N -1.537 113.169 114.554 0.254 0.000 3.007 223 T HA -0.060 4.306 4.350 0.026 0.000 0.270 223 T C 2.656 177.445 174.700 0.147 0.000 1.107 223 T CA 2.273 64.512 62.100 0.231 0.000 1.118 223 T CB -0.319 68.645 68.868 0.161 0.000 0.889 223 T HN 1.582 9.822 8.240 -0.000 0.000 0.506 224 S N 1.627 117.400 115.700 0.122 0.000 2.400 224 S HA -0.103 4.383 4.470 0.026 0.000 0.232 224 S C 1.836 176.502 174.600 0.110 0.000 1.025 224 S CA 1.048 59.328 58.200 0.133 0.000 0.993 224 S CB -0.593 62.737 63.200 0.217 0.000 0.808 224 S HN 0.347 8.657 8.310 -0.000 0.000 0.478 225 M N 1.597 121.278 119.600 0.134 0.000 2.435 225 M HA 0.442 4.937 4.480 0.026 0.000 0.265 225 M C 2.386 178.852 176.300 0.277 0.000 1.104 225 M CA 0.819 56.229 55.300 0.184 0.000 1.140 225 M CB -0.948 31.777 32.600 0.208 0.000 1.372 225 M HN 0.458 8.748 8.290 -0.000 0.000 0.456 226 A N -0.665 122.288 122.820 0.221 0.000 1.929 226 A HA -0.089 4.247 4.320 0.026 0.000 0.216 226 A C 2.257 179.954 177.584 0.188 0.000 1.176 226 A CA 1.958 54.106 52.037 0.185 0.000 0.628 226 A CB -1.142 17.933 19.000 0.126 0.000 0.816 226 A HN 0.419 8.569 8.150 -0.000 0.000 0.444 227 T N 1.047 115.684 114.554 0.138 0.000 2.635 227 T HA -0.106 4.260 4.350 0.026 0.000 0.267 227 T C -0.321 174.436 174.700 0.095 0.000 1.040 227 T CA 1.884 64.045 62.100 0.101 0.000 1.156 227 T CB -1.155 67.765 68.868 0.086 0.000 0.863 227 T HN 0.491 8.731 8.240 -0.000 0.000 0.430 228 P HA -0.050 4.370 4.420 -0.000 0.000 0.226 228 P C 0.692 177.965 177.300 -0.044 0.000 1.153 228 P CA 1.236 64.336 63.100 0.001 0.000 0.777 228 P CB -0.125 31.546 31.700 -0.047 0.000 0.794 229 H N -0.604 118.447 119.070 -0.032 0.000 2.357 229 H HA -0.042 4.529 4.556 0.024 0.000 0.301 229 H C 2.018 177.334 175.328 -0.020 0.000 1.082 229 H CA 1.253 57.263 56.048 -0.064 0.000 1.342 229 H CB -0.693 29.019 29.762 -0.083 0.000 1.389 229 H HN -0.132 8.148 8.280 -0.000 0.000 0.511 230 V N 0.407 120.410 119.914 0.149 0.000 2.453 230 V HA -0.198 3.937 4.120 0.026 0.000 0.247 230 V C 2.475 178.625 176.094 0.092 0.000 1.048 230 V CA 1.453 63.821 62.300 0.114 0.000 1.049 230 V CB -0.796 31.087 31.823 0.100 0.000 0.672 230 V HN 0.561 8.751 8.190 -0.000 0.000 0.457 231 A N 0.540 123.403 122.820 0.071 0.000 1.902 231 A HA -0.073 4.263 4.320 0.026 0.000 0.217 231 A C 2.395 180.010 177.584 0.052 0.000 1.181 231 A CA 1.890 53.964 52.037 0.061 0.000 0.623 231 A CB -1.098 17.932 19.000 0.050 0.000 0.818 231 A HN 0.515 8.665 8.150 -0.000 0.000 0.443 232 G N -0.436 108.378 108.800 0.023 0.000 2.408 232 G HA2 -0.070 3.906 3.960 0.026 0.000 0.217 232 G HA3 -0.070 3.906 3.960 0.026 0.000 0.217 232 G C 1.453 176.395 174.900 0.070 0.000 1.150 232 G CA 1.090 46.197 45.100 0.010 0.000 0.776 232 G HN 0.455 8.745 8.290 -0.000 0.000 0.542 233 L N 1.435 122.709 121.223 0.084 0.000 2.056 233 L HA 0.192 4.548 4.340 0.026 0.000 0.207 233 L C 3.010 180.006 176.870 0.209 0.000 1.078 233 L CA 1.988 56.917 54.840 0.149 0.000 0.749 233 L CB -0.765 41.377 42.059 0.139 0.000 0.901 233 L HN 0.224 8.454 8.230 -0.000 0.000 0.433 234 A N -0.379 122.530 122.820 0.149 0.000 1.883 234 A HA -0.140 4.196 4.320 0.026 0.000 0.217 234 A C 2.473 180.119 177.584 0.103 0.000 1.186 234 A CA 2.025 54.137 52.037 0.125 0.000 0.624 234 A CB -1.243 17.816 19.000 0.098 0.000 0.822 234 A HN 0.571 8.721 8.150 -0.000 0.000 0.444 235 A N -1.338 121.542 122.820 0.101 0.000 1.877 235 A HA -0.145 4.191 4.320 0.026 0.000 0.216 235 A C 2.161 179.802 177.584 0.096 0.000 1.186 235 A CA 1.776 53.859 52.037 0.076 0.000 0.620 235 A CB -0.978 18.056 19.000 0.057 0.000 0.822 235 A HN 0.824 8.974 8.150 -0.000 0.000 0.443 236 Y N 0.534 120.842 120.300 0.012 0.000 2.114 236 Y HA -0.223 4.344 4.550 0.029 0.000 0.282 236 Y C 1.931 177.841 175.900 0.016 0.000 1.165 236 Y CA 2.161 60.273 58.100 0.020 0.000 1.148 236 Y CB -0.336 38.152 38.460 0.047 0.000 0.972 236 Y HN 0.213 8.493 8.280 -0.000 0.000 0.504 237 L N -0.647 120.610 121.223 0.057 0.000 2.156 237 L HA -0.212 4.144 4.340 0.026 0.000 0.208 237 L C 2.490 179.266 176.870 -0.157 0.000 1.095 237 L CA 1.378 56.168 54.840 -0.084 0.000 0.770 237 L CB -0.416 41.666 42.059 0.038 0.000 0.914 237 L HN 0.342 8.572 8.230 -0.000 0.000 0.439 238 M N -1.134 118.413 119.600 -0.089 0.000 2.200 238 M HA -0.150 4.346 4.480 0.026 0.000 0.265 238 M C 2.254 178.496 176.300 -0.096 0.000 1.066 238 M CA 1.655 56.902 55.300 -0.088 0.000 1.127 238 M CB -0.392 32.187 32.600 -0.035 0.000 1.379 238 M HN 0.112 8.402 8.290 -0.000 0.000 0.420 239 T N 0.708 115.202 114.554 -0.100 0.000 2.833 239 T HA -0.083 4.283 4.350 0.026 0.000 0.269 239 T C 1.503 176.119 174.700 -0.140 0.000 1.054 239 T CA 1.026 63.065 62.100 -0.103 0.000 1.135 239 T CB -0.096 68.716 68.868 -0.093 0.000 0.869 239 T HN 0.125 8.365 8.240 -0.000 0.000 0.466 240 L N 0.268 121.364 121.223 -0.213 0.000 2.478 240 L HA 0.283 4.639 4.340 0.026 0.000 0.223 240 L C 2.034 178.816 176.870 -0.146 0.000 1.140 240 L CA 0.985 55.702 54.840 -0.206 0.000 0.842 240 L CB -0.941 40.938 42.059 -0.301 0.000 0.953 240 L HN 0.477 8.707 8.230 -0.000 0.000 0.452 241 G N -1.430 107.284 108.800 -0.142 0.000 2.143 241 G HA2 -0.308 3.668 3.960 0.026 0.000 0.249 241 G HA3 -0.308 3.668 3.960 0.026 0.000 0.249 241 G C 1.383 176.191 174.900 -0.154 0.000 0.981 241 G CA 0.495 45.523 45.100 -0.120 0.000 0.665 241 G HN 0.247 8.537 8.290 -0.000 0.000 0.528 242 K N -0.451 119.811 120.400 -0.230 0.000 2.228 242 K HA 0.114 4.450 4.320 0.026 0.000 0.202 242 K C 1.224 177.482 176.600 -0.569 0.000 1.051 242 K CA 1.457 57.530 56.287 -0.357 0.000 0.960 242 K CB 0.158 32.424 32.500 -0.389 0.000 0.743 242 K HN 0.545 8.795 8.250 -0.000 0.000 0.458 243 T N -0.560 113.728 114.554 -0.442 0.000 2.671 243 T HA 0.280 4.646 4.350 0.026 0.000 0.300 243 T C -1.313 173.291 174.700 -0.161 0.000 1.238 243 T CA -0.559 61.332 62.100 -0.349 0.000 1.020 243 T CB 1.673 70.251 68.868 -0.483 0.000 1.503 243 T HN 0.216 8.456 8.240 -0.000 0.000 0.497 244 T N -0.949 113.554 114.554 -0.085 0.000 2.888 244 T HA 0.750 5.116 4.350 0.026 0.000 0.288 244 T C 1.535 176.229 174.700 -0.010 0.000 1.063 244 T CA -0.012 62.064 62.100 -0.040 0.000 1.010 244 T CB 1.074 69.929 68.868 -0.023 0.000 1.214 244 T HN 0.820 9.059 8.240 -0.000 0.000 0.533 245 A N 0.524 123.346 122.820 0.003 0.000 1.940 245 A HA 0.204 4.540 4.320 0.026 0.000 0.219 245 A C 2.501 180.100 177.584 0.025 0.000 1.176 245 A CA 2.026 54.075 52.037 0.020 0.000 0.631 245 A CB -1.500 17.513 19.000 0.021 0.000 0.814 245 A HN 1.310 9.460 8.150 -0.000 0.000 0.446 246 A N -0.259 122.572 122.820 0.019 0.000 1.968 246 A HA 0.043 4.378 4.320 0.026 0.000 0.217 246 A C 2.231 179.837 177.584 0.036 0.000 1.169 246 A CA 1.966 54.017 52.037 0.023 0.000 0.638 246 A CB -0.458 18.552 19.000 0.016 0.000 0.812 246 A HN 0.947 9.097 8.150 -0.000 0.000 0.446 247 S N -1.573 114.152 115.700 0.042 0.000 2.540 247 S HA 0.489 4.974 4.470 0.026 0.000 0.222 247 S C 1.772 176.437 174.600 0.108 0.000 1.008 247 S CA 0.616 58.857 58.200 0.069 0.000 0.939 247 S CB 0.101 63.341 63.200 0.066 0.000 0.865 247 S HN 0.680 8.990 8.310 -0.000 0.000 0.499 248 A N 1.295 124.166 122.820 0.085 0.000 1.908 248 A HA -0.145 4.191 4.320 0.026 0.000 0.218 248 A C 2.413 180.098 177.584 0.168 0.000 1.181 248 A CA 1.629 53.738 52.037 0.120 0.000 0.627 248 A CB -1.539 17.507 19.000 0.077 0.000 0.818 248 A HN 0.685 8.835 8.150 -0.000 0.000 0.445 249 c N 0.411 119.083 118.600 0.119 0.000 2.432 249 c HA -0.123 4.462 4.570 0.026 0.000 0.277 249 c C 3.084 177.243 174.090 0.115 0.000 1.249 249 c CA 1.473 57.867 56.329 0.109 0.000 1.725 249 c CB -1.224 41.331 42.510 0.075 0.000 2.028 249 c HN 0.760 8.990 8.230 -0.000 0.000 0.477 250 R N -1.092 119.474 120.500 0.110 0.000 2.148 250 R HA -0.140 4.216 4.340 0.026 0.000 0.223 250 R C 2.282 178.647 176.300 0.109 0.000 1.088 250 R CA 1.914 58.071 56.100 0.094 0.000 0.985 250 R CB -1.161 29.184 30.300 0.075 0.000 0.880 250 R HN 0.668 8.938 8.270 -0.000 0.000 0.451 251 Y N 1.809 122.140 120.300 0.051 0.000 2.181 251 Y HA -0.091 4.474 4.550 0.026 0.000 0.288 251 Y C 1.983 177.925 175.900 0.070 0.000 1.146 251 Y CA 1.531 59.664 58.100 0.055 0.000 1.164 251 Y CB -0.012 38.478 38.460 0.050 0.000 0.982 251 Y HN -0.055 8.225 8.280 -0.000 0.000 0.515 252 I N -0.132 120.558 120.570 0.199 0.000 2.315 252 I HA -0.289 3.897 4.170 0.026 0.000 0.248 252 I C 2.628 178.779 176.117 0.056 0.000 1.117 252 I CA 1.082 62.466 61.300 0.139 0.000 1.404 252 I CB -0.623 37.487 38.000 0.183 0.000 1.071 252 I HN 0.337 8.547 8.210 -0.000 0.000 0.419 253 A N 0.507 123.360 122.820 0.055 0.000 1.902 253 A HA -0.235 4.101 4.320 0.026 0.000 0.217 253 A C 1.957 179.544 177.584 0.004 0.000 1.181 253 A CA 1.964 54.028 52.037 0.046 0.000 0.623 253 A CB -0.584 18.447 19.000 0.051 0.000 0.818 253 A HN 0.325 8.475 8.150 -0.000 0.000 0.443 254 D N -0.291 120.079 120.400 -0.051 0.000 2.149 254 D HA -0.118 4.538 4.640 0.026 0.000 0.198 254 D C 1.890 178.125 176.300 -0.108 0.000 0.990 254 D CA 2.073 56.019 54.000 -0.091 0.000 0.839 254 D CB -0.439 40.272 40.800 -0.150 0.000 0.948 254 D HN 0.627 8.997 8.370 -0.000 0.000 0.460 255 T N -2.347 112.106 114.554 -0.167 0.000 3.145 255 T HA 0.552 4.918 4.350 0.026 0.000 0.255 255 T C 0.687 175.441 174.700 0.091 0.000 1.039 255 T CA -0.244 61.794 62.100 -0.103 0.000 0.928 255 T CB 0.266 68.963 68.868 -0.284 0.000 1.029 255 T HN 0.087 8.327 8.240 -0.000 0.000 0.554 256 A N 1.723 124.600 122.820 0.095 0.000 2.386 256 A HA 0.425 4.761 4.320 0.026 0.000 0.246 256 A C 0.250 177.928 177.584 0.156 0.000 1.089 256 A CA -0.602 51.535 52.037 0.166 0.000 0.790 256 A CB -0.283 18.791 19.000 0.122 0.000 1.042 256 A HN 0.588 8.738 8.150 -0.000 0.000 0.497 257 N N 0.344 119.105 118.700 0.102 0.000 2.468 257 N HA 0.238 4.994 4.740 0.026 0.000 0.265 257 N C -0.642 174.868 175.510 0.000 0.000 1.199 257 N CA 0.496 53.524 53.050 -0.036 0.000 0.928 257 N CB 0.390 38.793 38.487 -0.141 0.000 1.059 257 N HN 0.493 8.873 8.380 -0.000 0.000 0.467 258 K N 1.143 121.538 120.400 -0.008 0.000 2.206 258 K HA 0.413 4.749 4.320 0.026 0.000 0.264 258 K C 0.718 177.307 176.600 -0.018 0.000 0.967 258 K CA -0.659 55.627 56.287 -0.000 0.000 0.844 258 K CB 1.775 34.281 32.500 0.010 0.000 1.099 258 K HN 0.680 8.930 8.250 -0.000 0.000 0.441 259 G N 2.270 111.057 108.800 -0.022 0.000 2.162 259 G HA2 -0.238 3.738 3.960 0.026 0.000 0.260 259 G HA3 -0.238 3.738 3.960 0.026 0.000 0.260 259 G C 0.172 175.044 174.900 -0.047 0.000 0.976 259 G CA 0.301 45.382 45.100 -0.032 0.000 0.655 259 G HN 0.721 9.011 8.290 -0.000 0.000 0.533 260 D N -0.133 120.233 120.400 -0.057 0.000 2.354 260 D HA 0.181 4.837 4.640 0.026 0.000 0.209 260 D C 1.556 177.808 176.300 -0.081 0.000 1.015 260 D CA 0.288 54.251 54.000 -0.062 0.000 0.867 260 D CB 0.275 41.039 40.800 -0.060 0.000 0.933 260 D HN 0.506 8.876 8.370 -0.000 0.000 0.520 261 L N 0.922 122.073 121.223 -0.121 0.000 2.334 261 L HA 0.283 4.639 4.340 0.026 0.000 0.277 261 L C 0.836 177.615 176.870 -0.153 0.000 1.075 261 L CA -0.544 54.192 54.840 -0.173 0.000 0.804 261 L CB 1.459 43.324 42.059 -0.324 0.000 1.174 261 L HN -0.125 8.105 8.230 -0.000 0.000 0.438 262 S N 0.742 116.359 115.700 -0.138 0.000 2.681 262 S HA 0.361 4.847 4.470 0.026 0.000 0.299 262 S C 0.294 174.817 174.600 -0.128 0.000 1.113 262 S CA -0.618 57.515 58.200 -0.112 0.000 1.013 262 S CB 1.448 64.600 63.200 -0.079 0.000 1.076 262 S HN 0.740 9.050 8.310 -0.000 0.000 0.534 263 N N -0.354 118.284 118.700 -0.103 0.000 2.735 263 N HA -0.128 4.628 4.740 0.026 0.000 0.248 263 N C -1.009 174.423 175.510 -0.131 0.000 1.083 263 N CA 0.475 53.462 53.050 -0.105 0.000 0.703 263 N CB -1.504 36.927 38.487 -0.093 0.000 1.005 263 N HN 0.637 9.017 8.380 -0.000 0.000 0.550 264 I N 1.135 121.626 120.570 -0.131 0.000 2.304 264 I HA 0.338 4.524 4.170 0.026 0.000 0.291 264 I C -1.473 174.587 176.117 -0.094 0.000 1.018 264 I CA -1.851 59.375 61.300 -0.124 0.000 1.260 264 I CB 0.511 38.428 38.000 -0.138 0.000 1.390 264 I HN 0.052 8.262 8.210 -0.000 0.000 0.475 265 P HA 0.087 4.507 4.420 -0.000 0.000 0.271 265 P C -0.278 177.024 177.300 0.004 0.000 1.218 265 P CA -0.362 62.658 63.100 -0.133 0.000 0.780 265 P CB 0.375 31.825 31.700 -0.417 0.000 0.901 266 F N 1.947 121.867 119.950 -0.050 0.000 2.623 266 F HA 0.280 4.823 4.527 0.026 0.000 0.383 266 F C 1.459 177.277 175.800 0.030 0.000 1.077 266 F CA 1.828 59.824 58.000 -0.007 0.000 1.268 266 F CB -0.228 38.768 39.000 -0.007 0.000 1.053 266 F HN 0.662 8.962 8.300 -0.000 0.000 0.571 267 G N 2.979 111.262 108.800 -0.862 0.000 2.176 267 G HA2 -0.211 3.765 3.960 0.026 0.000 0.232 267 G HA3 -0.211 3.765 3.960 0.026 0.000 0.232 267 G C 0.160 174.952 174.900 -0.181 0.000 0.986 267 G CA 0.056 44.810 45.100 -0.577 0.000 0.643 267 G HN 0.909 9.199 8.290 -0.000 0.000 0.522 268 T N 1.306 115.812 114.554 -0.080 0.000 2.823 268 T HA 0.598 4.964 4.350 0.026 0.000 0.279 268 T C 0.592 175.337 174.700 0.074 0.000 0.998 268 T CA 0.100 62.243 62.100 0.071 0.000 0.994 268 T CB 2.304 71.294 68.868 0.203 0.000 0.960 268 T HN 1.357 9.597 8.240 -0.000 0.000 0.448 269 V N 2.008 121.996 119.914 0.123 0.000 2.763 269 V HA 0.312 4.448 4.120 0.026 0.000 0.306 269 V C 0.641 176.832 176.094 0.162 0.000 1.059 269 V CA -0.558 61.813 62.300 0.118 0.000 1.138 269 V CB 0.346 32.245 31.823 0.125 0.000 0.940 269 V HN 0.822 9.012 8.190 -0.000 0.000 0.489 270 N N 4.593 123.332 118.700 0.064 0.000 3.234 270 N HA 0.410 5.166 4.740 0.026 0.000 0.272 270 N C -1.056 174.475 175.510 0.035 0.000 1.254 270 N CA -0.160 52.890 53.050 -0.000 0.000 1.087 270 N CB -0.202 38.261 38.487 -0.041 0.000 1.356 270 N HN 0.800 9.180 8.380 -0.000 0.000 0.511 271 L N 1.729 123.028 121.223 0.127 0.000 2.410 271 L HA 0.539 4.894 4.340 0.026 0.000 0.270 271 L C -0.918 176.064 176.870 0.186 0.000 0.983 271 L CA -1.048 53.871 54.840 0.131 0.000 0.822 271 L CB 2.350 44.489 42.059 0.135 0.000 1.285 271 L HN 0.046 8.276 8.230 -0.000 0.000 0.409 272 L N 2.983 124.285 121.223 0.132 0.000 2.349 272 L HA 0.750 5.106 4.340 0.026 0.000 0.278 272 L C 0.252 177.219 176.870 0.162 0.000 0.996 272 L CA -0.217 54.714 54.840 0.151 0.000 0.825 272 L CB 1.678 43.788 42.059 0.084 0.000 1.243 272 L HN 0.717 8.947 8.230 -0.000 0.000 0.412 273 A N 4.139 127.061 122.820 0.169 0.000 2.598 273 A HA 0.195 4.531 4.320 0.026 0.000 0.239 273 A C -1.124 176.614 177.584 0.257 0.000 1.032 273 A CA 0.838 52.984 52.037 0.182 0.000 0.760 273 A CB -0.539 18.546 19.000 0.141 0.000 0.946 273 A HN 0.781 8.931 8.150 -0.000 0.000 0.512 274 Y N 2.979 123.342 120.300 0.105 0.000 2.401 274 Y HA 0.370 4.936 4.550 0.025 0.000 0.330 274 Y C 0.382 176.381 175.900 0.165 0.000 1.071 274 Y CA -1.644 56.529 58.100 0.121 0.000 1.049 274 Y CB 1.253 39.773 38.460 0.101 0.000 1.239 274 Y HN 0.734 9.014 8.280 -0.000 0.000 0.437 275 N N 3.051 121.710 118.700 -0.070 0.000 2.467 275 N HA -0.062 4.693 4.740 0.026 0.000 0.184 275 N C -0.408 174.978 175.510 -0.207 0.000 1.106 275 N CA 0.976 54.008 53.050 -0.031 0.000 0.892 275 N CB -0.287 38.239 38.487 0.066 0.000 0.969 275 N HN 0.740 9.120 8.380 -0.000 0.000 0.454 276 N N -0.447 117.660 118.700 -0.989 0.000 2.710 276 N HA -0.282 4.474 4.740 0.026 0.000 0.249 276 N C -1.301 174.130 175.510 -0.133 0.000 1.059 276 N CA 0.532 53.157 53.050 -0.707 0.000 0.720 276 N CB -1.599 36.691 38.487 -0.329 0.000 0.983 276 N HN 0.531 8.911 8.380 -0.000 0.000 0.544 277 Y N 1.517 121.750 120.300 -0.110 0.000 2.393 277 Y HA 0.294 4.859 4.550 0.025 0.000 0.338 277 Y C 0.313 176.215 175.900 0.003 0.000 1.029 277 Y CA -0.213 57.904 58.100 0.028 0.000 1.239 277 Y CB 0.675 39.206 38.460 0.117 0.000 1.170 277 Y HN 0.020 8.300 8.280 -0.000 0.000 0.515 278 Q N 5.314 124.737 119.800 -0.628 0.000 2.368 278 Q HA 0.607 4.962 4.340 0.026 0.000 0.263 278 Q C -0.183 175.323 176.000 -0.824 0.000 1.009 278 Q CA -0.404 55.070 55.803 -0.547 0.000 0.818 278 Q CB 1.541 30.124 28.738 -0.259 0.000 1.239 278 Q HN 0.897 9.167 8.270 -0.000 0.000 0.464 279 A N 0.000 122.367 122.820 -0.755 0.000 2.254 279 A HA 0.000 4.336 4.320 0.026 0.000 0.244 279 A CA 0.000 51.746 52.037 -0.485 0.000 0.836 279 A CB 0.000 18.857 19.000 -0.238 0.000 0.831 279 A HN 0.000 8.150 8.150 -0.000 0.000 0.486