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 1vzy_1_B DATA FIRST_RESID 1 DATA SEQUENCE MDYLVKALAY DGKVRAYAAR TTDMVNEGQR RHGTWPTASA ALGRTMTASL DATA SEQUENCE MLGAMLKGDD KLTVKIEGGG PIGAIVADAN AKGEVRAYVS NPQVHFDLNA DATA SEQUENCE AGKLDVRRAV GTNGTLSVVK DLGLREFFTG QVEIVSGELG DDFTYYLVSS DATA SEQUENCE EQVPSSVGVG VLVNPDNTIL AAGGFIIQLM PGTDDETITK IEQRLSQVEP DATA SEQUENCE ISKLIQKGLT PEEILEEVLG EKPEILETMP VRFHCPCSKE RFETAILGLG DATA SEQUENCE KKEIQDMIEE DGQAEAVCHF CNEKYLFTKE ELEGLR 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 M HA 0.000 4.480 4.480 0.000 0.000 0.227 1 M C 0.000 176.440 176.300 0.233 0.000 1.140 1 M CA 0.000 55.389 55.300 0.148 0.000 0.988 1 M CB 0.000 32.660 32.600 0.100 0.000 1.302 2 D N 2.000 122.503 120.400 0.172 0.000 2.345 2 D HA 0.506 5.148 4.640 0.003 0.000 0.247 2 D C -0.848 175.612 176.300 0.266 0.000 1.108 2 D CA 0.732 54.819 54.000 0.146 0.000 0.894 2 D CB 0.579 41.437 40.800 0.097 0.000 1.203 2 D HN 0.456 8.826 8.370 0.000 0.000 0.430 3 Y N -0.651 119.671 120.300 0.037 0.000 2.750 3 Y HA 0.613 5.165 4.550 0.003 0.000 0.335 3 Y C -2.065 173.861 175.900 0.043 0.000 1.252 3 Y CA -1.428 56.694 58.100 0.036 0.000 1.064 3 Y CB 1.092 39.571 38.460 0.031 0.000 1.321 3 Y HN 0.288 8.568 8.280 0.000 0.000 0.451 4 L N 2.825 124.164 121.223 0.195 0.000 2.401 4 L HA 0.885 5.227 4.340 0.003 0.000 0.266 4 L C -1.306 175.690 176.870 0.210 0.000 0.991 4 L CA -1.123 53.778 54.840 0.102 0.000 0.818 4 L CB 2.160 44.280 42.059 0.101 0.000 1.321 4 L HN 0.881 9.111 8.230 0.000 0.000 0.413 5 V N 0.873 120.880 119.914 0.156 0.000 2.628 5 V HA 0.619 4.741 4.120 0.003 0.000 0.306 5 V C -0.826 175.333 176.094 0.108 0.000 1.045 5 V CA -0.766 61.624 62.300 0.150 0.000 0.905 5 V CB 1.685 33.595 31.823 0.145 0.000 0.997 5 V HN 0.778 8.968 8.190 0.000 0.000 0.436 6 K N 3.304 123.739 120.400 0.059 0.000 2.185 6 K HA 0.882 5.204 4.320 0.003 0.000 0.269 6 K C -0.343 176.181 176.600 -0.126 0.000 0.987 6 K CA -0.242 55.993 56.287 -0.086 0.000 0.865 6 K CB 2.036 34.532 32.500 -0.007 0.000 1.090 6 K HN 1.147 9.397 8.250 0.000 0.000 0.450 7 A N 3.198 125.877 122.820 -0.234 0.000 2.566 7 A HA 0.765 5.087 4.320 0.003 0.000 0.292 7 A C -1.421 176.070 177.584 -0.155 0.000 1.112 7 A CA -0.824 51.128 52.037 -0.142 0.000 0.707 7 A CB 1.141 20.086 19.000 -0.092 0.000 1.302 7 A HN 0.605 8.755 8.150 0.000 0.000 0.409 8 L N -0.130 121.045 121.223 -0.081 0.000 2.333 8 L HA 0.941 5.283 4.340 0.003 0.000 0.263 8 L C 0.197 177.060 176.870 -0.011 0.000 1.014 8 L CA -0.723 54.090 54.840 -0.046 0.000 0.820 8 L CB 2.199 44.240 42.059 -0.031 0.000 1.352 8 L HN 1.054 9.284 8.230 0.000 0.000 0.421 9 A N -0.365 122.480 122.820 0.041 0.000 2.588 9 A HA 0.674 4.996 4.320 0.003 0.000 0.290 9 A C -1.247 176.443 177.584 0.178 0.000 1.136 9 A CA -0.503 51.579 52.037 0.075 0.000 0.681 9 A CB 0.612 19.698 19.000 0.143 0.000 1.282 9 A HN 0.715 8.865 8.150 0.000 0.000 0.421 10 Y N 0.007 120.292 120.300 -0.025 0.000 3.389 10 Y HA -0.208 4.343 4.550 0.003 0.000 0.213 10 Y C 0.596 176.486 175.900 -0.017 0.000 1.272 10 Y CA 1.853 59.941 58.100 -0.019 0.000 1.444 10 Y CB -1.255 37.195 38.460 -0.017 0.000 1.445 10 Y HN 1.126 9.406 8.280 0.000 0.000 0.583 11 D N -0.218 120.207 120.400 0.042 0.000 2.689 11 D HA -0.145 4.497 4.640 0.003 0.000 0.237 11 D C 1.086 177.410 176.300 0.041 0.000 1.148 11 D CA 2.422 56.438 54.000 0.027 0.000 0.656 11 D CB -1.120 39.693 40.800 0.022 0.000 1.050 11 D HN 1.363 9.733 8.370 0.000 0.000 0.426 12 G N -0.007 108.818 108.800 0.042 0.000 2.179 12 G HA2 -0.391 3.571 3.960 0.003 0.000 0.260 12 G HA3 -0.391 3.571 3.960 0.003 0.000 0.260 12 G C 1.218 176.142 174.900 0.039 0.000 0.977 12 G CA 0.702 45.820 45.100 0.030 0.000 0.641 12 G HN 0.481 8.771 8.290 0.000 0.000 0.533 13 K N -0.376 120.064 120.400 0.066 0.000 2.296 13 K HA 0.240 4.562 4.320 0.003 0.000 0.200 13 K C 0.976 177.591 176.600 0.025 0.000 1.048 13 K CA 0.664 56.977 56.287 0.044 0.000 0.966 13 K CB 0.378 32.908 32.500 0.050 0.000 0.754 13 K HN 0.390 8.640 8.250 0.000 0.000 0.466 14 V N 1.996 121.942 119.914 0.053 0.000 2.417 14 V HA 0.267 4.389 4.120 0.003 0.000 0.291 14 V C -0.160 175.943 176.094 0.015 0.000 1.024 14 V CA -0.915 61.404 62.300 0.031 0.000 0.861 14 V CB 1.855 33.715 31.823 0.062 0.000 0.985 14 V HN 0.071 8.261 8.190 0.000 0.000 0.436 15 R N 3.737 124.237 120.500 -0.000 0.000 2.338 15 R HA 0.789 5.131 4.340 0.003 0.000 0.317 15 R C -0.577 175.668 176.300 -0.091 0.000 0.968 15 R CA -0.161 55.904 56.100 -0.057 0.000 0.849 15 R CB 1.372 31.669 30.300 -0.005 0.000 1.128 15 R HN 0.831 9.101 8.270 0.000 0.000 0.448 16 A N 3.996 126.660 122.820 -0.259 0.000 2.469 16 A HA 0.689 5.010 4.320 0.003 0.000 0.299 16 A C -1.856 175.438 177.584 -0.483 0.000 1.098 16 A CA -0.610 51.316 52.037 -0.186 0.000 0.737 16 A CB 1.213 20.182 19.000 -0.051 0.000 1.312 16 A HN 0.713 8.863 8.150 0.000 0.000 0.414 17 Y N -0.711 119.638 120.300 0.082 0.000 2.534 17 Y HA 0.720 5.272 4.550 0.003 0.000 0.345 17 Y C 0.240 176.193 175.900 0.089 0.000 1.031 17 Y CA -0.230 57.910 58.100 0.068 0.000 1.022 17 Y CB 2.598 41.087 38.460 0.049 0.000 1.292 17 Y HN 1.096 9.376 8.280 0.000 0.000 0.459 18 A N 1.223 124.159 122.820 0.194 0.000 2.594 18 A HA 0.985 5.307 4.320 0.003 0.000 0.295 18 A C -1.685 175.918 177.584 0.031 0.000 1.071 18 A CA -0.245 51.867 52.037 0.125 0.000 0.685 18 A CB 1.462 20.520 19.000 0.097 0.000 1.285 18 A HN 1.242 9.392 8.150 0.000 0.000 0.405 19 A N 0.738 123.542 122.820 -0.026 0.000 2.606 19 A HA 0.875 5.197 4.320 0.003 0.000 0.293 19 A C -0.711 176.785 177.584 -0.146 0.000 1.082 19 A CA -0.557 51.410 52.037 -0.116 0.000 0.685 19 A CB 1.351 20.318 19.000 -0.055 0.000 1.284 19 A HN 1.281 9.431 8.150 0.000 0.000 0.408 20 R N 0.560 120.923 120.500 -0.228 0.000 2.439 20 R HA 0.587 4.928 4.340 0.003 0.000 0.310 20 R C -0.193 176.062 176.300 -0.074 0.000 0.955 20 R CA 0.366 56.373 56.100 -0.155 0.000 0.853 20 R CB 1.102 31.265 30.300 -0.228 0.000 1.171 20 R HN 0.842 9.112 8.270 0.000 0.000 0.449 21 T N -0.719 113.820 114.554 -0.025 0.000 3.275 21 T HA 0.092 4.444 4.350 0.003 0.000 0.298 21 T C 0.945 175.666 174.700 0.035 0.000 0.988 21 T CA -0.188 61.920 62.100 0.013 0.000 0.936 21 T CB 0.692 69.565 68.868 0.008 0.000 1.159 21 T HN 0.484 8.724 8.240 0.000 0.000 0.519 22 T N 2.649 117.219 114.554 0.028 0.000 2.653 22 T HA -0.163 4.188 4.350 0.003 0.000 0.268 22 T C 1.506 176.234 174.700 0.048 0.000 1.035 22 T CA 2.038 64.159 62.100 0.036 0.000 1.154 22 T CB -0.420 68.467 68.868 0.032 0.000 0.862 22 T HN 0.410 8.650 8.240 0.000 0.000 0.441 23 D N 1.283 121.716 120.400 0.055 0.000 2.117 23 D HA -0.045 4.597 4.640 0.003 0.000 0.198 23 D C 2.194 178.539 176.300 0.075 0.000 0.982 23 D CA 1.057 55.092 54.000 0.058 0.000 0.828 23 D CB -0.428 40.410 40.800 0.064 0.000 0.967 23 D HN 0.581 8.951 8.370 0.000 0.000 0.464 24 M N -0.547 119.117 119.600 0.107 0.000 2.175 24 M HA -0.050 4.432 4.480 0.003 0.000 0.264 24 M C 1.954 178.358 176.300 0.173 0.000 1.063 24 M CA 1.188 56.595 55.300 0.177 0.000 1.119 24 M CB -0.481 32.245 32.600 0.211 0.000 1.377 24 M HN -0.216 8.074 8.290 0.000 0.000 0.415 25 V N 1.745 121.732 119.914 0.122 0.000 2.427 25 V HA -0.206 3.916 4.120 0.003 0.000 0.248 25 V C 2.379 178.517 176.094 0.074 0.000 1.051 25 V CA 1.871 64.237 62.300 0.110 0.000 1.048 25 V CB -1.222 30.649 31.823 0.080 0.000 0.666 25 V HN 0.571 8.761 8.190 0.000 0.000 0.456 26 N N 0.141 118.869 118.700 0.048 0.000 2.166 26 N HA -0.202 4.540 4.740 0.003 0.000 0.186 26 N C 1.967 177.463 175.510 -0.024 0.000 1.019 26 N CA 1.710 54.772 53.050 0.020 0.000 0.856 26 N CB -0.073 38.424 38.487 0.017 0.000 0.993 26 N HN 0.708 9.088 8.380 0.000 0.000 0.426 27 E N -0.058 120.108 120.200 -0.057 0.000 2.106 27 E HA -0.078 4.274 4.350 0.003 0.000 0.192 27 E C 1.937 178.342 176.600 -0.325 0.000 0.984 27 E CA 1.112 57.390 56.400 -0.202 0.000 0.806 27 E CB -0.281 29.262 29.700 -0.261 0.000 0.750 27 E HN 0.316 8.676 8.360 0.000 0.000 0.458 28 G N 1.113 109.805 108.800 -0.180 0.000 2.446 28 G HA2 -0.343 3.619 3.960 0.003 0.000 0.217 28 G HA3 -0.343 3.619 3.960 0.003 0.000 0.217 28 G C 1.557 176.511 174.900 0.090 0.000 1.168 28 G CA 0.811 45.919 45.100 0.013 0.000 0.771 28 G HN 0.228 8.518 8.290 0.000 0.000 0.551 29 Q N 0.619 120.461 119.800 0.070 0.000 2.061 29 Q HA -0.108 4.234 4.340 0.003 0.000 0.204 29 Q C 2.688 178.711 176.000 0.039 0.000 0.984 29 Q CA 1.444 57.297 55.803 0.082 0.000 0.846 29 Q CB -0.336 28.444 28.738 0.069 0.000 0.902 29 Q HN 0.491 8.761 8.270 0.000 0.000 0.421 30 R N -0.419 120.063 120.500 -0.030 0.000 2.075 30 R HA -0.040 4.302 4.340 0.003 0.000 0.232 30 R C 2.575 178.812 176.300 -0.106 0.000 1.126 30 R CA 1.241 57.306 56.100 -0.058 0.000 0.963 30 R CB -0.139 30.110 30.300 -0.085 0.000 0.858 30 R HN 0.240 8.510 8.270 0.000 0.000 0.435 31 R N -0.553 119.821 120.500 -0.210 0.000 2.073 31 R HA -0.098 4.244 4.340 0.003 0.000 0.234 31 R C 1.898 177.990 176.300 -0.346 0.000 1.134 31 R CA 1.202 57.094 56.100 -0.346 0.000 0.952 31 R CB -0.177 29.784 30.300 -0.564 0.000 0.850 31 R HN 0.396 8.666 8.270 0.000 0.000 0.433 32 H N -1.321 117.752 119.070 0.005 0.000 2.592 32 H HA 0.157 4.715 4.556 0.003 0.000 0.265 32 H C 1.010 176.360 175.328 0.038 0.000 0.955 32 H CA 0.851 56.923 56.048 0.041 0.000 1.175 32 H CB 0.776 30.588 29.762 0.083 0.000 1.433 32 H HN 0.452 8.732 8.280 0.000 0.000 0.537 33 G N 2.613 111.487 108.800 0.124 0.000 2.246 33 G HA2 -0.302 3.660 3.960 0.003 0.000 0.273 33 G HA3 -0.302 3.660 3.960 0.003 0.000 0.273 33 G C 0.521 175.536 174.900 0.192 0.000 1.055 33 G CA 0.545 45.728 45.100 0.139 0.000 0.851 33 G HN 0.526 8.816 8.290 0.000 0.000 0.500 34 T N -1.697 112.965 114.554 0.180 0.000 2.928 34 T HA 0.375 4.727 4.350 0.003 0.000 0.305 34 T C 0.634 175.536 174.700 0.336 0.000 1.035 34 T CA -0.321 61.883 62.100 0.173 0.000 1.145 34 T CB 1.244 70.193 68.868 0.134 0.000 0.963 34 T HN 0.347 8.587 8.240 0.000 0.000 0.545 35 W N 2.756 124.085 121.300 0.048 0.000 2.126 35 W HA 0.321 4.983 4.660 0.003 0.000 0.346 35 W C -1.692 174.862 176.519 0.059 0.000 1.279 35 W CA -2.243 55.132 57.345 0.049 0.000 1.259 35 W CB -0.692 28.798 29.460 0.049 0.000 1.133 35 W HN 0.516 8.696 8.180 0.000 0.000 0.592 36 P HA -0.218 4.202 4.420 0.000 0.000 0.215 36 P C 1.516 178.914 177.300 0.164 0.000 1.163 36 P CA 3.191 66.397 63.100 0.176 0.000 0.894 36 P CB -0.026 31.757 31.700 0.139 0.000 0.791 37 T N -0.820 113.844 114.554 0.184 0.000 2.759 37 T HA -0.162 4.189 4.350 0.003 0.000 0.269 37 T C 1.889 176.669 174.700 0.134 0.000 1.042 37 T CA 1.659 63.853 62.100 0.158 0.000 1.140 37 T CB -0.990 67.998 68.868 0.200 0.000 0.864 37 T HN 0.089 8.329 8.240 0.000 0.000 0.455 38 A N 1.387 124.290 122.820 0.139 0.000 1.930 38 A HA -0.055 4.267 4.320 0.003 0.000 0.217 38 A C 2.623 180.257 177.584 0.082 0.000 1.175 38 A CA 1.732 53.820 52.037 0.085 0.000 0.627 38 A CB -0.835 18.193 19.000 0.046 0.000 0.815 38 A HN 0.430 8.580 8.150 0.000 0.000 0.443 39 S N 0.005 115.772 115.700 0.111 0.000 2.370 39 S HA -0.101 4.371 4.470 0.003 0.000 0.226 39 S C 2.296 176.944 174.600 0.081 0.000 1.033 39 S CA 1.291 59.551 58.200 0.100 0.000 1.011 39 S CB -0.463 62.802 63.200 0.109 0.000 0.852 39 S HN 0.801 9.111 8.310 0.000 0.000 0.457 40 A N 1.450 124.317 122.820 0.079 0.000 1.902 40 A HA 0.134 4.456 4.320 0.003 0.000 0.217 40 A C 2.350 179.967 177.584 0.055 0.000 1.181 40 A CA 1.692 53.766 52.037 0.063 0.000 0.623 40 A CB -1.048 17.989 19.000 0.063 0.000 0.818 40 A HN 0.516 8.666 8.150 0.000 0.000 0.443 41 A N -0.541 122.314 122.820 0.057 0.000 1.898 41 A HA 0.025 4.347 4.320 0.003 0.000 0.216 41 A C 2.131 179.742 177.584 0.045 0.000 1.181 41 A CA 1.669 53.734 52.037 0.047 0.000 0.620 41 A CB -0.636 18.386 19.000 0.037 0.000 0.819 41 A HN 0.655 8.805 8.150 0.000 0.000 0.442 42 L N 0.209 121.458 121.223 0.043 0.000 1.994 42 L HA -0.038 4.304 4.340 0.003 0.000 0.208 42 L C 2.424 179.334 176.870 0.066 0.000 1.071 42 L CA 2.576 57.446 54.840 0.050 0.000 0.745 42 L CB -1.221 40.878 42.059 0.066 0.000 0.892 42 L HN 0.294 8.524 8.230 0.000 0.000 0.431 43 G N -0.961 107.878 108.800 0.066 0.000 2.418 43 G HA2 -0.251 3.711 3.960 0.003 0.000 0.217 43 G HA3 -0.251 3.711 3.960 0.003 0.000 0.217 43 G C 1.728 176.639 174.900 0.018 0.000 1.158 43 G CA 0.772 45.905 45.100 0.054 0.000 0.771 43 G HN 0.409 8.699 8.290 0.000 0.000 0.545 44 R N -0.231 120.279 120.500 0.016 0.000 2.091 44 R HA -0.069 4.273 4.340 0.003 0.000 0.238 44 R C 2.814 179.090 176.300 -0.039 0.000 1.136 44 R CA 1.794 57.887 56.100 -0.012 0.000 0.959 44 R CB -0.710 29.603 30.300 0.022 0.000 0.856 44 R HN 0.306 8.576 8.270 0.000 0.000 0.437 45 T N 1.111 115.687 114.554 0.037 0.000 2.737 45 T HA -0.093 4.259 4.350 0.003 0.000 0.265 45 T C 1.900 176.588 174.700 -0.019 0.000 1.038 45 T CA 1.216 63.368 62.100 0.087 0.000 1.144 45 T CB -0.083 68.870 68.868 0.142 0.000 0.866 45 T HN 0.163 8.403 8.240 0.000 0.000 0.434 46 M N 0.929 120.533 119.600 0.006 0.000 2.108 46 M HA -0.124 4.358 4.480 0.003 0.000 0.261 46 M C 2.542 178.803 176.300 -0.065 0.000 1.066 46 M CA 1.488 56.790 55.300 0.003 0.000 1.107 46 M CB -0.694 31.948 32.600 0.068 0.000 1.356 46 M HN 0.213 8.503 8.290 0.000 0.000 0.406 47 T N 0.395 114.892 114.554 -0.095 0.000 2.812 47 T HA -0.014 4.338 4.350 0.003 0.000 0.264 47 T C 1.874 176.434 174.700 -0.232 0.000 1.042 47 T CA 1.376 63.401 62.100 -0.124 0.000 1.140 47 T CB -0.272 68.533 68.868 -0.105 0.000 0.870 47 T HN 0.475 8.715 8.240 0.000 0.000 0.445 48 A N 1.454 124.031 122.820 -0.405 0.000 1.902 48 A HA -0.075 4.246 4.320 0.003 0.000 0.217 48 A C 2.603 179.853 177.584 -0.558 0.000 1.181 48 A CA 1.893 53.503 52.037 -0.712 0.000 0.623 48 A CB -0.887 17.156 19.000 -1.594 0.000 0.818 48 A HN 0.430 8.580 8.150 0.000 0.000 0.443 49 S N -0.332 115.132 115.700 -0.393 0.000 2.356 49 S HA -0.172 4.300 4.470 0.003 0.000 0.223 49 S C 1.890 176.415 174.600 -0.124 0.000 1.032 49 S CA 1.487 59.596 58.200 -0.153 0.000 1.005 49 S CB -0.546 62.634 63.200 -0.032 0.000 0.867 49 S HN 0.539 8.849 8.310 0.000 0.000 0.449 50 L N 1.555 122.706 121.223 -0.120 0.000 2.013 50 L HA -0.091 4.251 4.340 0.003 0.000 0.212 50 L C 2.152 178.956 176.870 -0.110 0.000 1.073 50 L CA 1.887 56.673 54.840 -0.089 0.000 0.753 50 L CB -0.534 41.486 42.059 -0.065 0.000 0.890 50 L HN 0.305 8.535 8.230 0.000 0.000 0.432 51 M N -1.539 117.971 119.600 -0.151 0.000 2.200 51 M HA -0.158 4.324 4.480 0.003 0.000 0.265 51 M C 2.188 178.313 176.300 -0.292 0.000 1.066 51 M CA 1.431 56.617 55.300 -0.190 0.000 1.127 51 M CB -0.330 32.175 32.600 -0.159 0.000 1.379 51 M HN 0.296 8.586 8.290 0.000 0.000 0.420 52 L N -0.422 120.676 121.223 -0.208 0.000 2.042 52 L HA -0.157 4.185 4.340 0.003 0.000 0.210 52 L C 2.640 179.435 176.870 -0.125 0.000 1.076 52 L CA 1.471 56.225 54.840 -0.144 0.000 0.749 52 L CB -1.394 40.645 42.059 -0.033 0.000 0.893 52 L HN 0.414 8.644 8.230 0.000 0.000 0.432 53 G N -0.506 108.234 108.800 -0.100 0.000 2.422 53 G HA2 -0.188 3.773 3.960 0.003 0.000 0.218 53 G HA3 -0.188 3.773 3.960 0.003 0.000 0.218 53 G C 1.694 176.554 174.900 -0.067 0.000 1.140 53 G CA 0.687 45.748 45.100 -0.066 0.000 0.775 53 G HN 0.472 8.762 8.290 0.000 0.000 0.545 54 A N 0.345 123.105 122.820 -0.099 0.000 2.121 54 A HA 0.212 4.534 4.320 0.003 0.000 0.218 54 A C 2.268 179.818 177.584 -0.057 0.000 1.154 54 A CA 1.052 53.057 52.037 -0.054 0.000 0.679 54 A CB -0.294 18.697 19.000 -0.015 0.000 0.795 54 A HN 0.404 8.554 8.150 0.000 0.000 0.458 55 M N -0.367 119.137 119.600 -0.160 0.000 2.562 55 M HA 0.133 4.615 4.480 0.003 0.000 0.257 55 M C 0.114 176.403 176.300 -0.019 0.000 1.099 55 M CA 0.416 55.660 55.300 -0.094 0.000 1.099 55 M CB -0.236 32.267 32.600 -0.161 0.000 1.427 55 M HN 0.264 8.554 8.290 0.000 0.000 0.489 56 L N 0.445 121.655 121.223 -0.021 0.000 2.468 56 L HA 0.304 4.646 4.340 0.003 0.000 0.254 56 L C 0.412 177.287 176.870 0.009 0.000 1.171 56 L CA -0.418 54.419 54.840 -0.005 0.000 0.809 56 L CB 0.448 42.506 42.059 -0.003 0.000 1.155 56 L HN 0.034 8.264 8.230 0.000 0.000 0.473 57 K N 0.199 120.604 120.400 0.010 0.000 2.340 57 K HA 0.562 4.884 4.320 0.003 0.000 0.244 57 K C 0.192 176.800 176.600 0.014 0.000 0.973 57 K CA 0.017 56.312 56.287 0.014 0.000 0.828 57 K CB 1.904 34.411 32.500 0.012 0.000 1.226 57 K HN 0.776 9.026 8.250 0.000 0.000 0.437 58 G N 2.119 110.927 108.800 0.013 0.000 2.591 58 G HA2 -0.315 3.647 3.960 0.003 0.000 0.298 58 G HA3 -0.315 3.647 3.960 0.003 0.000 0.298 58 G C 0.065 174.971 174.900 0.011 0.000 1.195 58 G CA 0.591 45.698 45.100 0.012 0.000 0.989 58 G HN 0.655 8.945 8.290 0.000 0.000 0.551 59 D N 2.127 122.535 120.400 0.013 0.000 2.340 59 D HA 0.235 4.877 4.640 0.003 0.000 0.217 59 D C 0.367 176.677 176.300 0.017 0.000 1.081 59 D CA 0.207 54.215 54.000 0.012 0.000 0.842 59 D CB -0.078 40.730 40.800 0.013 0.000 0.934 59 D HN 0.348 8.718 8.370 0.000 0.000 0.511 60 D N 1.703 122.117 120.400 0.022 0.000 2.382 60 D HA 0.146 4.788 4.640 0.003 0.000 0.240 60 D C 0.920 177.234 176.300 0.023 0.000 1.146 60 D CA 0.440 54.460 54.000 0.033 0.000 0.897 60 D CB 1.104 41.927 40.800 0.039 0.000 1.197 60 D HN 0.161 8.531 8.370 0.000 0.000 0.432 61 K N -0.425 119.994 120.400 0.031 0.000 2.533 61 K HA 0.681 5.002 4.320 0.003 0.000 0.272 61 K C -1.441 175.176 176.600 0.029 0.000 0.985 61 K CA -0.977 55.318 56.287 0.014 0.000 0.876 61 K CB 1.466 33.964 32.500 -0.003 0.000 1.452 61 K HN 0.286 8.536 8.250 0.000 0.000 0.439 62 L N -2.386 118.845 121.223 0.013 0.000 2.359 62 L HA 0.750 5.092 4.340 0.003 0.000 0.256 62 L C -1.164 175.714 176.870 0.013 0.000 1.026 62 L CA -0.404 54.451 54.840 0.026 0.000 0.828 62 L CB 2.044 44.120 42.059 0.028 0.000 1.406 62 L HN 0.716 8.946 8.230 0.000 0.000 0.413 63 T N 0.614 115.184 114.554 0.026 0.000 2.921 63 T HA 0.699 5.051 4.350 0.003 0.000 0.297 63 T C -1.025 173.688 174.700 0.022 0.000 1.013 63 T CA -0.472 61.654 62.100 0.043 0.000 0.990 63 T CB 1.848 70.760 68.868 0.073 0.000 1.023 63 T HN 0.549 8.789 8.240 0.000 0.000 0.447 64 V N 4.160 124.094 119.914 0.032 0.000 2.398 64 V HA 0.525 4.647 4.120 0.003 0.000 0.286 64 V C -0.202 175.891 176.094 -0.002 0.000 1.026 64 V CA -0.793 61.501 62.300 -0.010 0.000 0.868 64 V CB 1.427 33.284 31.823 0.057 0.000 0.982 64 V HN 0.722 8.912 8.190 0.000 0.000 0.443 65 K N 5.746 126.113 120.400 -0.055 0.000 2.426 65 K HA 0.721 5.043 4.320 0.003 0.000 0.254 65 K C -1.353 175.186 176.600 -0.102 0.000 0.936 65 K CA -0.516 55.738 56.287 -0.055 0.000 0.801 65 K CB 2.588 35.068 32.500 -0.033 0.000 1.139 65 K HN 0.509 8.759 8.250 0.000 0.000 0.424 66 I N 1.927 122.434 120.570 -0.105 0.000 2.466 66 I HA 0.253 4.425 4.170 0.003 0.000 0.289 66 I C -0.549 175.512 176.117 -0.094 0.000 1.026 66 I CA -0.511 60.721 61.300 -0.114 0.000 1.078 66 I CB 1.872 39.800 38.000 -0.119 0.000 1.249 66 I HN 0.518 8.728 8.210 0.000 0.000 0.429 67 E N 4.823 124.977 120.200 -0.077 0.000 2.649 67 E HA 0.287 4.638 4.350 0.003 0.000 0.310 67 E C -0.048 176.523 176.600 -0.047 0.000 1.036 67 E CA -0.189 56.173 56.400 -0.063 0.000 0.772 67 E CB 1.769 31.435 29.700 -0.057 0.000 1.513 67 E HN 0.819 9.179 8.360 0.000 0.000 0.384 68 G N 0.829 109.603 108.800 -0.042 0.000 3.284 68 G HA2 0.326 4.288 3.960 0.003 0.000 0.236 68 G HA3 0.326 4.288 3.960 0.003 0.000 0.236 68 G C 0.980 175.866 174.900 -0.023 0.000 1.158 68 G CA 0.341 45.422 45.100 -0.032 0.000 0.774 68 G HN 0.731 9.021 8.290 0.000 0.000 0.545 69 G N -1.131 107.656 108.800 -0.021 0.000 2.199 69 G HA2 -0.072 3.890 3.960 0.003 0.000 0.254 69 G HA3 -0.072 3.890 3.960 0.003 0.000 0.254 69 G C 0.825 175.723 174.900 -0.003 0.000 0.982 69 G CA 0.259 45.351 45.100 -0.013 0.000 0.632 69 G HN 1.051 9.341 8.290 0.000 0.000 0.529 70 G N 0.147 108.947 108.800 -0.000 0.000 2.580 70 G HA2 0.603 4.564 3.960 0.003 0.000 0.278 70 G HA3 0.603 4.564 3.960 0.003 0.000 0.278 70 G C -0.364 174.559 174.900 0.037 0.000 1.212 70 G CA -0.188 44.928 45.100 0.026 0.000 0.939 70 G HN 0.097 8.387 8.290 0.000 0.000 0.513 71 P HA -0.078 4.342 4.420 0.000 0.000 0.225 71 P C 1.602 178.905 177.300 0.005 0.000 1.148 71 P CA 0.499 63.630 63.100 0.051 0.000 0.779 71 P CB 0.285 32.039 31.700 0.090 0.000 0.780 72 I N -1.378 119.200 120.570 0.013 0.000 2.928 72 I HA 0.005 4.177 4.170 0.003 0.000 0.266 72 I C 1.250 177.331 176.117 -0.060 0.000 1.234 72 I CA 0.941 62.222 61.300 -0.033 0.000 1.483 72 I CB -0.629 37.361 38.000 -0.017 0.000 1.097 72 I HN 0.067 8.277 8.210 0.000 0.000 0.455 73 G N 0.716 109.489 108.800 -0.045 0.000 2.575 73 G HA2 -0.320 3.642 3.960 0.003 0.000 0.267 73 G HA3 -0.320 3.642 3.960 0.003 0.000 0.267 73 G C 0.103 174.949 174.900 -0.091 0.000 1.264 73 G CA -0.136 44.930 45.100 -0.057 0.000 0.935 73 G HN 0.808 9.098 8.290 0.000 0.000 0.568 74 A N -0.404 122.349 122.820 -0.111 0.000 2.409 74 A HA 0.628 4.950 4.320 0.003 0.000 0.262 74 A C 0.386 177.794 177.584 -0.293 0.000 1.113 74 A CA 0.172 52.118 52.037 -0.153 0.000 0.790 74 A CB 0.047 18.978 19.000 -0.116 0.000 1.046 74 A HN 1.024 9.174 8.150 0.000 0.000 0.496 75 I N 2.871 123.285 120.570 -0.260 0.000 2.378 75 I HA 0.404 4.576 4.170 0.003 0.000 0.291 75 I C -0.751 175.209 176.117 -0.260 0.000 0.992 75 I CA -0.610 60.499 61.300 -0.318 0.000 1.154 75 I CB 1.823 39.725 38.000 -0.162 0.000 1.315 75 I HN 0.292 8.502 8.210 0.000 0.000 0.448 76 V N 5.256 124.971 119.914 -0.331 0.000 2.588 76 V HA 0.777 4.899 4.120 0.003 0.000 0.304 76 V C -0.163 176.042 176.094 0.186 0.000 1.042 76 V CA -0.549 61.734 62.300 -0.028 0.000 0.877 76 V CB 1.726 33.593 31.823 0.073 0.000 0.996 76 V HN 0.822 9.012 8.190 0.000 0.000 0.425 77 A N 2.964 125.907 122.820 0.205 0.000 2.356 77 A HA 0.812 5.134 4.320 0.003 0.000 0.310 77 A C -1.162 176.492 177.584 0.116 0.000 1.075 77 A CA -0.589 51.564 52.037 0.194 0.000 0.746 77 A CB 1.186 20.248 19.000 0.104 0.000 1.221 77 A HN 0.714 8.864 8.150 0.000 0.000 0.443 78 D N 0.912 121.300 120.400 -0.020 0.000 2.175 78 D HA 0.717 5.359 4.640 0.003 0.000 0.248 78 D C -0.113 176.109 176.300 -0.129 0.000 1.047 78 D CA 0.505 54.426 54.000 -0.131 0.000 0.883 78 D CB 1.893 42.485 40.800 -0.347 0.000 1.180 78 D HN 0.821 9.191 8.370 0.000 0.000 0.438 79 A N 1.889 124.657 122.820 -0.086 0.000 2.549 79 A HA 0.644 4.966 4.320 0.003 0.000 0.297 79 A C -0.902 176.649 177.584 -0.056 0.000 1.061 79 A CA -0.858 51.133 52.037 -0.076 0.000 0.690 79 A CB 1.479 20.443 19.000 -0.061 0.000 1.287 79 A HN 0.600 8.750 8.150 0.000 0.000 0.402 80 N N -0.233 118.438 118.700 -0.049 0.000 2.701 80 N HA 0.639 5.381 4.740 0.003 0.000 0.290 80 N C 0.604 176.101 175.510 -0.022 0.000 1.338 80 N CA -0.096 52.936 53.050 -0.031 0.000 0.799 80 N CB 1.176 39.644 38.487 -0.031 0.000 1.491 80 N HN 0.756 9.136 8.380 0.000 0.000 0.540 81 A N -0.258 122.555 122.820 -0.011 0.000 2.067 81 A HA -0.067 4.255 4.320 0.003 0.000 0.219 81 A C 1.301 178.887 177.584 0.002 0.000 1.158 81 A CA 0.996 53.032 52.037 -0.002 0.000 0.661 81 A CB -0.600 18.404 19.000 0.006 0.000 0.801 81 A HN 0.685 8.835 8.150 0.000 0.000 0.452 82 K N -0.962 119.434 120.400 -0.006 0.000 2.487 82 K HA 0.206 4.528 4.320 0.003 0.000 0.192 82 K C 0.942 177.541 176.600 -0.003 0.000 1.027 82 K CA 0.400 56.683 56.287 -0.006 0.000 1.054 82 K CB -0.120 32.367 32.500 -0.022 0.000 0.824 82 K HN 0.591 8.841 8.250 0.000 0.000 0.510 83 G N 2.400 111.197 108.800 -0.005 0.000 2.198 83 G HA2 -0.289 3.673 3.960 0.003 0.000 0.260 83 G HA3 -0.289 3.673 3.960 0.003 0.000 0.260 83 G C -0.573 174.321 174.900 -0.009 0.000 1.025 83 G CA 0.079 45.178 45.100 -0.002 0.000 0.769 83 G HN 0.422 8.712 8.290 0.000 0.000 0.507 84 E N -0.576 119.608 120.200 -0.027 0.000 2.200 84 E HA 0.528 4.880 4.350 0.003 0.000 0.283 84 E C -0.028 176.522 176.600 -0.083 0.000 1.015 84 E CA -0.587 55.794 56.400 -0.031 0.000 0.819 84 E CB 2.074 31.760 29.700 -0.024 0.000 1.081 84 E HN 0.131 8.491 8.360 0.000 0.000 0.397 85 V N 3.726 123.555 119.914 -0.141 0.000 2.735 85 V HA 0.514 4.635 4.120 0.003 0.000 0.310 85 V C -0.394 175.377 176.094 -0.539 0.000 1.061 85 V CA -0.892 61.267 62.300 -0.234 0.000 0.913 85 V CB 1.856 33.596 31.823 -0.138 0.000 1.005 85 V HN 0.698 8.888 8.190 0.000 0.000 0.428 86 R N 3.017 123.181 120.500 -0.560 0.000 2.686 86 R HA 0.966 5.308 4.340 0.003 0.000 0.283 86 R C -1.079 175.133 176.300 -0.146 0.000 0.978 86 R CA -0.694 54.950 56.100 -0.759 0.000 0.897 86 R CB 2.435 32.302 30.300 -0.721 0.000 1.192 86 R HN 0.889 9.159 8.270 0.000 0.000 0.457 87 A N 2.135 125.127 122.820 0.286 0.000 2.594 87 A HA 0.614 4.936 4.320 0.003 0.000 0.296 87 A C -1.904 176.003 177.584 0.540 0.000 1.061 87 A CA -0.818 51.503 52.037 0.474 0.000 0.689 87 A CB 1.329 20.477 19.000 0.247 0.000 1.280 87 A HN 0.905 9.055 8.150 0.000 0.000 0.406 88 Y N -0.351 119.995 120.300 0.076 0.000 2.655 88 Y HA 0.814 5.366 4.550 0.003 0.000 0.336 88 Y C -0.806 174.958 175.900 -0.227 0.000 1.154 88 Y CA -1.180 56.718 58.100 -0.337 0.000 1.055 88 Y CB 1.440 39.626 38.460 -0.456 0.000 1.295 88 Y HN 1.374 9.654 8.280 0.000 0.000 0.465 89 V N -0.455 119.165 119.914 -0.490 0.000 2.769 89 V HA 0.529 4.651 4.120 0.003 0.000 0.312 89 V C 0.104 176.055 176.094 -0.238 0.000 1.061 89 V CA -0.128 61.923 62.300 -0.414 0.000 0.931 89 V CB 1.456 33.159 31.823 -0.200 0.000 1.010 89 V HN 1.020 9.210 8.190 0.000 0.000 0.433 90 S N 2.291 117.867 115.700 -0.206 0.000 2.428 90 S HA 0.007 4.479 4.470 0.003 0.000 0.230 90 S C 0.896 175.490 174.600 -0.009 0.000 1.014 90 S CA 1.561 59.764 58.200 0.005 0.000 0.957 90 S CB -0.376 62.813 63.200 -0.017 0.000 0.784 90 S HN 0.961 9.271 8.310 0.000 0.000 0.499 91 N N 0.692 119.348 118.700 -0.073 0.000 2.664 91 N HA 0.343 5.085 4.740 0.003 0.000 0.257 91 N C -2.714 172.696 175.510 -0.168 0.000 1.108 91 N CA -2.127 50.855 53.050 -0.114 0.000 0.822 91 N CB 1.472 39.887 38.487 -0.120 0.000 1.199 91 N HN -0.201 8.179 8.380 0.000 0.000 0.529 92 P HA -0.068 4.352 4.420 0.000 0.000 0.222 92 P C -0.543 176.468 177.300 -0.482 0.000 1.147 92 P CA 1.123 64.101 63.100 -0.203 0.000 0.790 92 P CB 0.246 31.881 31.700 -0.109 0.000 0.780 93 Q N -0.141 119.214 119.800 -0.741 0.000 2.673 93 Q HA 0.312 4.654 4.340 0.003 0.000 0.224 93 Q C -0.974 174.450 176.000 -0.961 0.000 1.226 93 Q CA -0.044 54.778 55.803 -1.635 0.000 1.019 93 Q CB 0.418 28.159 28.738 -1.662 0.000 1.312 93 Q HN -0.084 8.186 8.270 0.000 0.000 0.566 94 V N 2.105 121.757 119.914 -0.437 0.000 2.483 94 V HA 0.332 4.454 4.120 0.003 0.000 0.297 94 V C -0.764 175.476 176.094 0.244 0.000 1.027 94 V CA -0.848 61.392 62.300 -0.100 0.000 0.855 94 V CB 1.668 33.469 31.823 -0.036 0.000 0.995 94 V HN 0.666 8.856 8.190 0.000 0.000 0.424 95 H N 5.076 124.174 119.070 0.048 0.000 2.547 95 H HA 0.684 5.242 4.556 0.003 0.000 0.342 95 H C -2.019 173.062 175.328 -0.412 0.000 1.048 95 H CA -0.399 55.654 56.048 0.007 0.000 1.204 95 H CB 1.594 31.404 29.762 0.081 0.000 1.493 95 H HN 0.498 8.778 8.280 0.000 0.000 0.511 96 F N 1.404 120.942 119.950 -0.686 0.000 2.629 96 F HA 0.166 4.695 4.527 0.003 0.000 0.316 96 F C 0.224 175.627 175.800 -0.663 0.000 1.081 96 F CA -0.915 56.755 58.000 -0.549 0.000 0.954 96 F CB 1.155 40.037 39.000 -0.196 0.000 1.337 96 F HN 0.472 8.772 8.300 0.000 0.000 0.474 97 D N 1.114 121.463 120.400 -0.085 0.000 2.364 97 D HA 0.177 4.818 4.640 0.003 0.000 0.236 97 D C 0.155 176.471 176.300 0.027 0.000 1.221 97 D CA 0.190 54.197 54.000 0.012 0.000 0.891 97 D CB 0.505 41.344 40.800 0.065 0.000 1.190 97 D HN 0.266 8.636 8.370 0.000 0.000 0.449 98 L N 1.447 122.692 121.223 0.035 0.000 2.482 98 L HA 0.003 4.345 4.340 0.003 0.000 0.273 98 L C 1.167 178.045 176.870 0.012 0.000 1.228 98 L CA -0.559 54.298 54.840 0.028 0.000 0.827 98 L CB -0.070 42.008 42.059 0.032 0.000 1.099 98 L HN 0.448 8.678 8.230 0.000 0.000 0.494 99 N N 1.190 119.890 118.700 -0.001 0.000 2.366 99 N HA 0.178 4.920 4.740 0.003 0.000 0.277 99 N C 0.704 176.211 175.510 -0.005 0.000 1.275 99 N CA 0.036 53.077 53.050 -0.016 0.000 0.964 99 N CB 0.264 38.734 38.487 -0.029 0.000 1.167 99 N HN 0.615 8.995 8.380 0.000 0.000 0.568 100 A N -0.621 122.193 122.820 -0.010 0.000 1.948 100 A HA -0.087 4.235 4.320 0.003 0.000 0.220 100 A C 1.973 179.558 177.584 0.001 0.000 1.177 100 A CA 2.292 54.327 52.037 -0.004 0.000 0.636 100 A CB -1.564 17.431 19.000 -0.008 0.000 0.815 100 A HN 0.901 9.051 8.150 0.000 0.000 0.449 101 A N -1.773 121.048 122.820 0.001 0.000 2.259 101 A HA 0.420 4.742 4.320 0.003 0.000 0.208 101 A C 1.720 179.310 177.584 0.010 0.000 1.201 101 A CA 1.110 53.151 52.037 0.005 0.000 0.824 101 A CB -1.129 17.874 19.000 0.005 0.000 0.838 101 A HN 1.974 10.124 8.150 0.000 0.000 0.485 102 G N -0.499 108.308 108.800 0.011 0.000 2.160 102 G HA2 -0.232 3.730 3.960 0.003 0.000 0.251 102 G HA3 -0.232 3.730 3.960 0.003 0.000 0.251 102 G C 0.008 174.920 174.900 0.020 0.000 1.008 102 G CA 0.640 45.750 45.100 0.017 0.000 0.724 102 G HN 0.443 8.733 8.290 0.000 0.000 0.514 103 K N -0.410 120.001 120.400 0.017 0.000 2.221 103 K HA 0.630 4.952 4.320 0.003 0.000 0.243 103 K C 0.836 177.450 176.600 0.024 0.000 0.968 103 K CA -1.246 55.054 56.287 0.022 0.000 0.846 103 K CB 1.276 33.787 32.500 0.018 0.000 1.141 103 K HN 0.159 8.409 8.250 0.000 0.000 0.434 104 L N 1.619 122.863 121.223 0.035 0.000 2.578 104 L HA -0.075 4.267 4.340 0.003 0.000 0.279 104 L C 0.765 177.654 176.870 0.032 0.000 1.227 104 L CA 0.265 55.133 54.840 0.047 0.000 0.900 104 L CB 0.052 42.149 42.059 0.063 0.000 1.144 104 L HN 0.472 8.702 8.230 0.000 0.000 0.496 105 D N 2.986 123.403 120.400 0.030 0.000 2.713 105 D HA 0.085 4.727 4.640 0.003 0.000 0.229 105 D C 1.072 177.354 176.300 -0.031 0.000 1.136 105 D CA -0.031 53.949 54.000 -0.033 0.000 1.010 105 D CB 0.643 41.378 40.800 -0.109 0.000 1.084 105 D HN 0.271 8.640 8.370 0.000 0.000 0.495 106 V N 2.647 122.560 119.914 -0.001 0.000 2.343 106 V HA -0.246 3.875 4.120 0.003 0.000 0.247 106 V C 2.681 178.764 176.094 -0.018 0.000 1.051 106 V CA 1.943 64.253 62.300 0.016 0.000 1.036 106 V CB -0.483 31.354 31.823 0.025 0.000 0.654 106 V HN 0.545 8.735 8.190 0.000 0.000 0.451 107 R N 0.752 121.223 120.500 -0.048 0.000 2.152 107 R HA -0.178 4.164 4.340 0.003 0.000 0.232 107 R C 2.270 178.504 176.300 -0.111 0.000 1.117 107 R CA 1.906 57.968 56.100 -0.064 0.000 0.981 107 R CB -0.439 29.826 30.300 -0.059 0.000 0.870 107 R HN 0.427 8.697 8.270 0.000 0.000 0.451 108 R N 0.293 120.668 120.500 -0.208 0.000 2.119 108 R HA 0.033 4.375 4.340 0.003 0.000 0.222 108 R C 2.189 178.354 176.300 -0.225 0.000 1.088 108 R CA 1.116 56.991 56.100 -0.374 0.000 0.984 108 R CB -0.136 29.668 30.300 -0.827 0.000 0.884 108 R HN 0.345 8.615 8.270 0.000 0.000 0.447 109 A N 0.068 122.868 122.820 -0.034 0.000 1.873 109 A HA -0.066 4.256 4.320 0.003 0.000 0.215 109 A C 2.126 179.755 177.584 0.074 0.000 1.186 109 A CA 1.305 53.455 52.037 0.188 0.000 0.616 109 A CB -0.366 18.753 19.000 0.198 0.000 0.823 109 A HN 0.193 8.343 8.150 0.000 0.000 0.442 110 V N -0.864 119.061 119.914 0.017 0.000 2.346 110 V HA 0.297 4.419 4.120 0.003 0.000 0.244 110 V C 1.489 177.573 176.094 -0.016 0.000 1.037 110 V CA 1.160 63.457 62.300 -0.004 0.000 1.029 110 V CB -1.582 30.235 31.823 -0.011 0.000 0.663 110 V HN 1.294 9.484 8.190 0.000 0.000 0.454 111 G N 0.287 109.070 108.800 -0.028 0.000 2.712 111 G HA2 -0.144 3.818 3.960 0.003 0.000 0.686 111 G HA3 -0.144 3.818 3.960 0.003 0.000 0.686 111 G C 0.138 175.019 174.900 -0.031 0.000 1.321 111 G CA -0.021 45.060 45.100 -0.032 0.000 0.813 111 G HN 0.768 9.058 8.290 0.000 0.000 0.599 112 T N -1.899 112.636 114.554 -0.031 0.000 3.266 112 T HA 0.364 4.716 4.350 0.003 0.000 0.278 112 T C 0.295 174.983 174.700 -0.020 0.000 1.010 112 T CA -0.119 61.965 62.100 -0.027 0.000 0.909 112 T CB 0.114 68.963 68.868 -0.032 0.000 1.122 112 T HN 0.515 8.755 8.240 0.000 0.000 0.536 113 N N 1.683 120.372 118.700 -0.018 0.000 2.898 113 N HA 0.577 5.318 4.740 0.003 0.000 0.245 113 N C 0.115 175.616 175.510 -0.014 0.000 1.185 113 N CA -0.085 52.957 53.050 -0.014 0.000 0.879 113 N CB 1.450 39.929 38.487 -0.013 0.000 1.157 113 N HN 0.712 9.092 8.380 0.000 0.000 0.503 114 G N -0.200 108.593 108.800 -0.013 0.000 2.344 114 G HA2 0.229 4.191 3.960 0.003 0.000 0.282 114 G HA3 0.229 4.191 3.960 0.003 0.000 0.282 114 G C -1.335 173.555 174.900 -0.017 0.000 1.281 114 G CA -0.589 44.501 45.100 -0.017 0.000 0.877 114 G HN 0.230 8.520 8.290 0.000 0.000 0.494 115 T N -1.938 112.597 114.554 -0.031 0.000 2.907 115 T HA 0.734 5.086 4.350 0.003 0.000 0.292 115 T C -0.725 173.928 174.700 -0.078 0.000 1.043 115 T CA -0.649 61.429 62.100 -0.038 0.000 1.003 115 T CB 2.090 70.938 68.868 -0.032 0.000 1.084 115 T HN 1.109 9.349 8.240 0.000 0.000 0.483 116 L N 2.848 124.007 121.223 -0.106 0.000 2.280 116 L HA 0.661 5.003 4.340 0.003 0.000 0.287 116 L C -0.134 176.628 176.870 -0.181 0.000 1.023 116 L CA -0.336 54.384 54.840 -0.200 0.000 0.819 116 L CB 1.190 43.063 42.059 -0.310 0.000 1.212 116 L HN 1.052 9.282 8.230 0.000 0.000 0.420 117 S N 3.973 119.567 115.700 -0.176 0.000 2.532 117 S HA 0.829 5.301 4.470 0.003 0.000 0.301 117 S C -0.888 173.593 174.600 -0.198 0.000 1.083 117 S CA -0.713 57.404 58.200 -0.138 0.000 1.025 117 S CB 2.185 65.343 63.200 -0.070 0.000 1.056 117 S HN 0.338 8.648 8.310 0.000 0.000 0.494 118 V N 2.325 122.129 119.914 -0.183 0.000 2.525 118 V HA 0.498 4.620 4.120 0.003 0.000 0.299 118 V C -0.887 175.208 176.094 0.002 0.000 1.034 118 V CA -0.653 61.547 62.300 -0.167 0.000 0.863 118 V CB 1.640 33.224 31.823 -0.398 0.000 0.999 118 V HN 0.856 9.046 8.190 0.000 0.000 0.423 119 V N 5.438 125.367 119.914 0.025 0.000 2.384 119 V HA 0.460 4.581 4.120 0.003 0.000 0.287 119 V C -0.082 176.075 176.094 0.105 0.000 1.020 119 V CA -0.890 61.453 62.300 0.072 0.000 0.850 119 V CB 1.733 33.569 31.823 0.021 0.000 0.987 119 V HN 0.832 9.022 8.190 0.000 0.000 0.436 120 K N 3.166 123.677 120.400 0.184 0.000 2.240 120 K HA 0.451 4.773 4.320 0.003 0.000 0.271 120 K C -0.871 175.863 176.600 0.223 0.000 1.018 120 K CA -0.660 55.740 56.287 0.189 0.000 0.874 120 K CB 1.621 34.251 32.500 0.216 0.000 1.098 120 K HN 0.568 8.818 8.250 0.000 0.000 0.458 121 D N 4.174 124.668 120.400 0.156 0.000 2.427 121 D HA 0.139 4.780 4.640 0.003 0.000 0.226 121 D C -0.158 176.223 176.300 0.134 0.000 1.076 121 D CA -0.522 53.569 54.000 0.150 0.000 0.849 121 D CB 1.102 41.957 40.800 0.090 0.000 1.052 121 D HN 0.261 8.631 8.370 0.000 0.000 0.515 122 L N 2.917 124.236 121.223 0.160 0.000 2.640 122 L HA 0.521 4.863 4.340 0.003 0.000 0.230 122 L C 1.170 178.095 176.870 0.092 0.000 1.123 122 L CA 0.214 55.129 54.840 0.125 0.000 0.900 122 L CB 0.125 42.278 42.059 0.157 0.000 1.146 122 L HN 0.655 8.885 8.230 0.000 0.000 0.484 123 G N -2.018 106.839 108.800 0.095 0.000 2.352 123 G HA2 0.060 4.021 3.960 0.003 0.000 0.302 123 G HA3 0.060 4.021 3.960 0.003 0.000 0.302 123 G C -0.176 174.775 174.900 0.086 0.000 1.370 123 G CA -0.370 44.773 45.100 0.072 0.000 0.918 123 G HN -0.195 8.095 8.290 0.000 0.000 0.610 124 L N -0.269 120.993 121.223 0.064 0.000 2.042 124 L HA 0.160 4.502 4.340 0.003 0.000 0.210 124 L C 2.420 179.349 176.870 0.097 0.000 1.076 124 L CA 2.096 56.975 54.840 0.066 0.000 0.749 124 L CB -0.143 41.942 42.059 0.043 0.000 0.893 124 L HN 0.585 8.815 8.230 0.000 0.000 0.432 125 R N -0.544 120.009 120.500 0.089 0.000 2.613 125 R HA 0.268 4.610 4.340 0.003 0.000 0.361 125 R C -0.535 175.793 176.300 0.046 0.000 1.072 125 R CA -0.022 56.140 56.100 0.103 0.000 1.089 125 R CB 0.387 30.713 30.300 0.044 0.000 1.343 125 R HN 0.369 8.639 8.270 0.000 0.000 0.571 126 E N 1.337 121.581 120.200 0.072 0.000 2.218 126 E HA 0.367 4.719 4.350 0.003 0.000 0.263 126 E C -1.136 175.495 176.600 0.051 0.000 0.879 126 E CA -0.683 55.677 56.400 -0.067 0.000 0.762 126 E CB 1.691 31.392 29.700 0.002 0.000 1.166 126 E HN -0.017 8.343 8.360 0.000 0.000 0.415 127 F N -0.066 119.832 119.950 -0.087 0.000 2.719 127 F HA 0.634 5.162 4.527 0.003 0.000 0.309 127 F C -1.919 173.728 175.800 -0.254 0.000 1.138 127 F CA -1.397 56.579 58.000 -0.040 0.000 0.943 127 F CB 0.995 39.972 39.000 -0.038 0.000 1.304 127 F HN 0.210 8.510 8.300 0.000 0.000 0.445 128 F N 0.836 120.941 119.950 0.259 0.000 2.529 128 F HA 0.710 5.238 4.527 0.003 0.000 0.320 128 F C -0.018 175.934 175.800 0.253 0.000 1.118 128 F CA -0.603 57.510 58.000 0.189 0.000 0.915 128 F CB 2.628 41.682 39.000 0.090 0.000 1.161 128 F HN 0.810 9.110 8.300 0.000 0.000 0.445 129 T N -0.128 114.625 114.554 0.331 0.000 2.907 129 T HA 0.930 5.282 4.350 0.003 0.000 0.292 129 T C -0.487 174.343 174.700 0.218 0.000 1.043 129 T CA -0.946 61.294 62.100 0.232 0.000 1.003 129 T CB 1.970 70.923 68.868 0.141 0.000 1.084 129 T HN 0.908 9.148 8.240 0.000 0.000 0.483 130 G N 0.493 109.421 108.800 0.214 0.000 2.706 130 G HA2 0.609 4.571 3.960 0.003 0.000 0.297 130 G HA3 0.609 4.571 3.960 0.003 0.000 0.297 130 G C -1.988 173.019 174.900 0.178 0.000 1.403 130 G CA -0.784 44.463 45.100 0.246 0.000 0.954 130 G HN 0.891 9.181 8.290 0.000 0.000 0.500 131 Q N -0.161 119.708 119.800 0.116 0.000 2.309 131 Q HA 0.615 4.957 4.340 0.003 0.000 0.273 131 Q C -1.171 174.829 176.000 0.000 0.000 1.040 131 Q CA -0.816 55.013 55.803 0.043 0.000 0.834 131 Q CB 2.856 31.602 28.738 0.014 0.000 1.345 131 Q HN 0.949 9.219 8.270 0.000 0.000 0.414 132 V N -0.547 119.346 119.914 -0.033 0.000 3.141 132 V HA 0.634 4.756 4.120 0.003 0.000 0.312 132 V C -0.534 175.570 176.094 0.016 0.000 1.157 132 V CA -1.055 61.195 62.300 -0.083 0.000 1.041 132 V CB 1.958 33.556 31.823 -0.374 0.000 1.071 132 V HN 0.721 8.911 8.190 0.000 0.000 0.441 133 E N 1.171 121.442 120.200 0.119 0.000 2.383 133 E HA 0.396 4.748 4.350 0.003 0.000 0.264 133 E C -0.391 176.299 176.600 0.150 0.000 1.050 133 E CA -0.117 56.354 56.400 0.119 0.000 0.896 133 E CB 1.459 31.231 29.700 0.120 0.000 0.982 133 E HN 0.650 9.010 8.360 0.000 0.000 0.424 134 I N 2.625 123.230 120.570 0.059 0.000 2.436 134 I HA -0.093 4.079 4.170 0.003 0.000 0.289 134 I C 1.506 177.641 176.117 0.030 0.000 1.083 134 I CA 0.004 61.326 61.300 0.036 0.000 1.372 134 I CB 0.443 38.437 38.000 -0.011 0.000 1.408 134 I HN 0.320 8.530 8.210 0.000 0.000 0.516 135 V N 1.475 121.404 119.914 0.025 0.000 3.565 135 V HA 0.064 4.186 4.120 0.003 0.000 0.260 135 V C 1.378 177.440 176.094 -0.053 0.000 1.231 135 V CA 1.126 63.394 62.300 -0.053 0.000 1.100 135 V CB 0.580 32.296 31.823 -0.179 0.000 0.807 135 V HN 0.775 8.965 8.190 0.000 0.000 0.454 136 S N 0.135 115.819 115.700 -0.026 0.000 2.811 136 S HA 0.467 4.939 4.470 0.003 0.000 0.237 136 S C 1.828 176.415 174.600 -0.022 0.000 1.038 136 S CA 1.634 59.820 58.200 -0.024 0.000 0.881 136 S CB 0.573 63.769 63.200 -0.006 0.000 0.815 136 S HN 1.678 9.988 8.310 0.000 0.000 0.582 137 G N 1.126 109.918 108.800 -0.012 0.000 2.234 137 G HA2 -0.188 3.774 3.960 0.003 0.000 0.235 137 G HA3 -0.188 3.774 3.960 0.003 0.000 0.235 137 G C 0.635 175.534 174.900 -0.003 0.000 0.997 137 G CA 0.540 45.631 45.100 -0.016 0.000 0.623 137 G HN 0.505 8.795 8.290 0.000 0.000 0.514 138 E N 0.400 120.603 120.200 0.006 0.000 2.482 138 E HA 0.311 4.662 4.350 0.003 0.000 0.196 138 E C 2.269 178.900 176.600 0.052 0.000 1.047 138 E CA 0.913 57.325 56.400 0.020 0.000 0.869 138 E CB 0.105 29.813 29.700 0.013 0.000 0.836 138 E HN 0.826 9.186 8.360 0.000 0.000 0.520 139 L N -2.125 119.142 121.223 0.074 0.000 2.370 139 L HA -0.310 4.031 4.340 0.003 0.000 0.451 139 L C 1.981 179.014 176.870 0.271 0.000 0.759 139 L CA 1.318 56.255 54.840 0.161 0.000 3.328 139 L CB -2.036 40.134 42.059 0.184 0.000 0.579 139 L HN 0.335 8.565 8.230 0.000 0.000 0.800 140 G N -0.100 108.793 108.800 0.156 0.000 2.491 140 G HA2 -0.265 3.697 3.960 0.003 0.000 0.218 140 G HA3 -0.265 3.697 3.960 0.003 0.000 0.218 140 G C 0.844 175.832 174.900 0.145 0.000 1.180 140 G CA 1.585 46.755 45.100 0.116 0.000 0.774 140 G HN 0.509 8.799 8.290 0.000 0.000 0.562 141 D N 0.615 121.076 120.400 0.101 0.000 2.264 141 D HA -0.025 4.617 4.640 0.003 0.000 0.208 141 D C 2.042 178.423 176.300 0.136 0.000 0.966 141 D CA 0.602 54.659 54.000 0.095 0.000 0.864 141 D CB -0.112 40.716 40.800 0.047 0.000 0.933 141 D HN 0.295 8.665 8.370 0.000 0.000 0.499 142 D N -0.384 120.093 120.400 0.129 0.000 2.123 142 D HA -0.094 4.548 4.640 0.003 0.000 0.200 142 D C 1.916 178.273 176.300 0.096 0.000 0.976 142 D CA 0.471 54.533 54.000 0.103 0.000 0.831 142 D CB -0.290 40.500 40.800 -0.017 0.000 0.974 142 D HN 0.242 8.612 8.370 0.000 0.000 0.469 143 F N 1.721 121.730 119.950 0.097 0.000 2.171 143 F HA -0.154 4.375 4.527 0.003 0.000 0.300 143 F C 2.725 178.620 175.800 0.160 0.000 1.090 143 F CA 1.033 59.101 58.000 0.112 0.000 1.293 143 F CB -0.778 38.245 39.000 0.038 0.000 1.013 143 F HN -0.112 8.188 8.300 0.000 0.000 0.486 144 T N -0.972 113.755 114.554 0.289 0.000 2.684 144 T HA -0.282 4.070 4.350 0.003 0.000 0.267 144 T C 1.681 176.514 174.700 0.221 0.000 1.036 144 T CA 1.729 63.954 62.100 0.209 0.000 1.148 144 T CB -0.649 68.311 68.868 0.154 0.000 0.863 144 T HN 0.305 8.545 8.240 0.000 0.000 0.436 145 Y N 0.989 121.339 120.300 0.083 0.000 2.181 145 Y HA -0.161 4.391 4.550 0.003 0.000 0.288 145 Y C 2.205 178.134 175.900 0.048 0.000 1.146 145 Y CA 0.739 58.867 58.100 0.047 0.000 1.164 145 Y CB -0.969 37.509 38.460 0.031 0.000 0.982 145 Y HN 0.355 8.635 8.280 0.000 0.000 0.515 146 Y N 0.218 120.441 120.300 -0.129 0.000 2.081 146 Y HA -0.306 4.246 4.550 0.003 0.000 0.280 146 Y C 2.144 177.987 175.900 -0.095 0.000 1.163 146 Y CA 2.331 60.314 58.100 -0.195 0.000 1.135 146 Y CB -0.770 37.606 38.460 -0.141 0.000 0.970 146 Y HN 0.170 8.450 8.280 0.000 0.000 0.498 147 L N -1.078 120.039 121.223 -0.177 0.000 2.056 147 L HA -0.208 4.134 4.340 0.003 0.000 0.207 147 L C 2.390 179.149 176.870 -0.185 0.000 1.078 147 L CA 1.192 55.898 54.840 -0.224 0.000 0.749 147 L CB -0.648 41.431 42.059 0.034 0.000 0.901 147 L HN 0.167 8.397 8.230 0.000 0.000 0.433 148 V N -1.551 118.317 119.914 -0.076 0.000 2.379 148 V HA -0.204 3.918 4.120 0.003 0.000 0.245 148 V C 2.289 178.337 176.094 -0.077 0.000 1.044 148 V CA 1.999 64.283 62.300 -0.027 0.000 1.036 148 V CB 0.104 31.968 31.823 0.069 0.000 0.664 148 V HN 0.331 8.521 8.190 0.000 0.000 0.453 149 S N -1.635 113.968 115.700 -0.162 0.000 2.497 149 S HA 0.013 4.485 4.470 0.003 0.000 0.221 149 S C 2.004 176.464 174.600 -0.233 0.000 1.037 149 S CA 0.952 59.047 58.200 -0.176 0.000 0.920 149 S CB 0.388 63.449 63.200 -0.231 0.000 0.800 149 S HN 0.536 8.846 8.310 0.000 0.000 0.505 150 S N 1.379 116.868 115.700 -0.351 0.000 2.452 150 S HA 0.170 4.642 4.470 0.003 0.000 0.225 150 S C 1.480 175.906 174.600 -0.289 0.000 1.057 150 S CA 0.342 58.364 58.200 -0.296 0.000 0.949 150 S CB -0.128 62.877 63.200 -0.326 0.000 0.836 150 S HN 0.387 8.697 8.310 0.000 0.000 0.518 151 E N 0.505 120.435 120.200 -0.450 0.000 2.442 151 E HA 0.102 4.454 4.350 0.003 0.000 0.195 151 E C -0.322 176.177 176.600 -0.167 0.000 1.030 151 E CA 0.042 56.262 56.400 -0.300 0.000 0.869 151 E CB 0.115 29.597 29.700 -0.362 0.000 0.857 151 E HN 0.531 8.891 8.360 0.000 0.000 0.505 152 Q N -0.144 119.562 119.800 -0.157 0.000 2.451 152 Q HA -0.170 4.172 4.340 0.003 0.000 0.305 152 Q C -1.259 174.706 176.000 -0.059 0.000 1.345 152 Q CA 0.165 55.918 55.803 -0.084 0.000 0.854 152 Q CB -1.483 27.221 28.738 -0.056 0.000 1.162 152 Q HN 0.021 8.291 8.270 0.000 0.000 0.440 153 V N 0.229 120.106 119.914 -0.062 0.000 2.483 153 V HA 0.361 4.483 4.120 0.003 0.000 0.297 153 V C -2.146 173.945 176.094 -0.005 0.000 1.027 153 V CA -1.926 60.359 62.300 -0.025 0.000 0.855 153 V CB 1.854 33.666 31.823 -0.018 0.000 0.995 153 V HN 0.026 8.216 8.190 0.000 0.000 0.424 154 P HA 0.256 4.676 4.420 0.000 0.000 0.261 154 P C -0.466 176.857 177.300 0.039 0.000 1.203 154 P CA 0.609 63.721 63.100 0.020 0.000 0.767 154 P CB 0.418 32.125 31.700 0.011 0.000 0.785 155 S N 1.473 117.207 115.700 0.057 0.000 2.579 155 S HA 0.644 5.116 4.470 0.003 0.000 0.272 155 S C -1.040 173.623 174.600 0.106 0.000 1.141 155 S CA -0.693 57.559 58.200 0.087 0.000 0.843 155 S CB 1.904 65.158 63.200 0.089 0.000 1.122 155 S HN 0.281 8.591 8.310 0.000 0.000 0.468 156 S N 1.245 117.030 115.700 0.142 0.000 2.672 156 S HA 0.653 5.125 4.470 0.003 0.000 0.291 156 S C -1.324 173.367 174.600 0.152 0.000 1.145 156 S CA -0.440 57.858 58.200 0.163 0.000 1.013 156 S CB 0.664 63.984 63.200 0.200 0.000 1.017 156 S HN 0.500 8.810 8.310 0.000 0.000 0.487 157 V N 3.966 123.896 119.914 0.026 0.000 2.435 157 V HA 0.820 4.942 4.120 0.003 0.000 0.290 157 V C 0.763 176.617 176.094 -0.401 0.000 1.030 157 V CA -0.394 61.813 62.300 -0.154 0.000 0.881 157 V CB 1.557 33.355 31.823 -0.041 0.000 0.983 157 V HN 0.968 9.158 8.190 0.000 0.000 0.445 158 G N 3.299 111.524 108.800 -0.958 0.000 2.609 158 G HA2 0.690 4.652 3.960 0.003 0.000 0.308 158 G HA3 0.690 4.652 3.960 0.003 0.000 0.308 158 G C -1.055 173.495 174.900 -0.583 0.000 1.369 158 G CA -0.513 44.048 45.100 -0.898 0.000 0.958 158 G HN 0.964 9.254 8.290 0.000 0.000 0.499 159 V N 0.154 119.899 119.914 -0.282 0.000 2.841 159 V HA 1.029 5.151 4.120 0.003 0.000 0.310 159 V C 0.065 176.108 176.094 -0.085 0.000 1.090 159 V CA -0.595 61.599 62.300 -0.177 0.000 0.930 159 V CB 1.655 33.376 31.823 -0.171 0.000 1.014 159 V HN 1.236 9.426 8.190 0.000 0.000 0.425 160 G N 1.514 110.284 108.800 -0.049 0.000 2.682 160 G HA2 0.693 4.655 3.960 0.003 0.000 0.300 160 G HA3 0.693 4.655 3.960 0.003 0.000 0.300 160 G C -1.733 173.168 174.900 0.001 0.000 1.391 160 G CA -0.780 44.313 45.100 -0.011 0.000 0.990 160 G HN 1.114 9.404 8.290 0.000 0.000 0.501 161 V N 2.074 121.996 119.914 0.014 0.000 2.686 161 V HA 0.515 4.637 4.120 0.003 0.000 0.306 161 V C -0.471 175.641 176.094 0.030 0.000 1.065 161 V CA -0.631 61.683 62.300 0.024 0.000 0.894 161 V CB 1.784 33.626 31.823 0.032 0.000 1.004 161 V HN 0.670 8.860 8.190 0.000 0.000 0.424 162 L N 4.952 126.193 121.223 0.031 0.000 2.305 162 L HA 0.695 5.036 4.340 0.003 0.000 0.284 162 L C -0.705 176.186 176.870 0.036 0.000 1.013 162 L CA -0.828 54.032 54.840 0.032 0.000 0.819 162 L CB 1.949 44.026 42.059 0.028 0.000 1.227 162 L HN 0.344 8.574 8.230 0.000 0.000 0.417 163 V N 2.741 122.679 119.914 0.040 0.000 2.435 163 V HA 0.275 4.397 4.120 0.003 0.000 0.290 163 V C 0.154 176.269 176.094 0.035 0.000 1.030 163 V CA -0.699 61.626 62.300 0.043 0.000 0.881 163 V CB 1.746 33.602 31.823 0.055 0.000 0.983 163 V HN 0.735 8.925 8.190 0.000 0.000 0.445 164 N N 5.059 123.777 118.700 0.030 0.000 2.467 164 N HA 0.217 4.959 4.740 0.003 0.000 0.262 164 N C -1.732 173.789 175.510 0.018 0.000 1.234 164 N CA -1.056 52.008 53.050 0.022 0.000 0.952 164 N CB 0.891 39.389 38.487 0.018 0.000 1.158 164 N HN 0.407 8.787 8.380 0.000 0.000 0.463 165 P HA -0.162 4.258 4.420 0.000 0.000 0.218 165 P C 0.253 177.549 177.300 -0.006 0.000 1.148 165 P CA 1.192 64.293 63.100 0.003 0.000 0.822 165 P CB 0.007 31.707 31.700 -0.001 0.000 0.784 166 D N -2.008 118.390 120.400 -0.003 0.000 2.338 166 D HA -0.070 4.572 4.640 0.003 0.000 0.239 166 D C 0.206 176.505 176.300 -0.002 0.000 1.095 166 D CA -0.040 53.955 54.000 -0.009 0.000 0.888 166 D CB -1.071 39.725 40.800 -0.006 0.000 0.899 166 D HN -0.018 8.352 8.370 0.000 0.000 0.525 167 N N -1.210 117.495 118.700 0.008 0.000 2.965 167 N HA -0.173 4.569 4.740 0.003 0.000 0.232 167 N C -0.059 175.476 175.510 0.041 0.000 0.913 167 N CA 1.497 54.564 53.050 0.029 0.000 0.981 167 N CB -2.075 36.428 38.487 0.027 0.000 1.077 167 N HN 0.648 9.028 8.380 0.000 0.000 0.589 168 T N -1.624 112.947 114.554 0.029 0.000 2.788 168 T HA 0.572 4.924 4.350 0.003 0.000 0.280 168 T C 0.598 175.318 174.700 0.034 0.000 0.984 168 T CA -0.651 61.466 62.100 0.029 0.000 0.972 168 T CB 1.233 70.112 68.868 0.018 0.000 1.039 168 T HN 0.080 8.320 8.240 0.000 0.000 0.530 169 I N 2.472 123.063 120.570 0.034 0.000 2.331 169 I HA 0.240 4.411 4.170 0.003 0.000 0.292 169 I C 0.962 177.097 176.117 0.031 0.000 0.998 169 I CA -0.772 60.550 61.300 0.037 0.000 1.267 169 I CB 1.143 39.168 38.000 0.041 0.000 1.386 169 I HN 0.678 8.888 8.210 0.000 0.000 0.476 170 L N 6.371 127.611 121.223 0.029 0.000 2.127 170 L HA 0.392 4.734 4.340 0.003 0.000 0.203 170 L C 0.679 177.564 176.870 0.026 0.000 1.080 170 L CA 1.202 56.057 54.840 0.026 0.000 0.768 170 L CB 0.069 42.142 42.059 0.025 0.000 0.924 170 L HN 0.726 8.956 8.230 0.000 0.000 0.444 171 A N -1.317 121.519 122.820 0.027 0.000 2.604 171 A HA 0.859 5.181 4.320 0.003 0.000 0.295 171 A C -1.424 176.174 177.584 0.023 0.000 1.067 171 A CA -0.069 51.983 52.037 0.024 0.000 0.683 171 A CB 1.032 20.045 19.000 0.023 0.000 1.281 171 A HN 0.495 8.645 8.150 0.000 0.000 0.407 172 A N -0.034 122.796 122.820 0.017 0.000 2.574 172 A HA 0.990 5.312 4.320 0.003 0.000 0.297 172 A C -0.186 177.396 177.584 -0.005 0.000 1.062 172 A CA 0.087 52.131 52.037 0.011 0.000 0.686 172 A CB 1.416 20.427 19.000 0.019 0.000 1.285 172 A HN 2.660 10.810 8.150 0.000 0.000 0.403 173 G N -0.935 107.857 108.800 -0.014 0.000 2.441 173 G HA2 0.883 4.845 3.960 0.003 0.000 0.294 173 G HA3 0.883 4.845 3.960 0.003 0.000 0.294 173 G C -0.434 174.446 174.900 -0.032 0.000 1.393 173 G CA 0.325 45.410 45.100 -0.026 0.000 0.796 173 G HN 2.181 10.471 8.290 0.000 0.000 0.494 174 G N -1.742 107.044 108.800 -0.022 0.000 2.495 174 G HA2 0.828 4.790 3.960 0.003 0.000 0.294 174 G HA3 0.828 4.790 3.960 0.003 0.000 0.294 174 G C -1.432 173.502 174.900 0.056 0.000 1.397 174 G CA 0.114 45.175 45.100 -0.065 0.000 0.790 174 G HN 1.777 10.067 8.290 0.000 0.000 0.486 175 F N -1.507 118.441 119.950 -0.003 0.000 2.643 175 F HA 0.897 5.426 4.527 0.003 0.000 0.314 175 F C -1.163 174.667 175.800 0.048 0.000 1.096 175 F CA -1.699 56.319 58.000 0.030 0.000 0.953 175 F CB 1.669 40.688 39.000 0.031 0.000 1.345 175 F HN 0.451 8.751 8.300 0.000 0.000 0.468 176 I N 2.956 123.738 120.570 0.353 0.000 2.534 176 I HA 0.431 4.603 4.170 0.003 0.000 0.288 176 I C -1.136 175.211 176.117 0.384 0.000 1.077 176 I CA -0.603 60.879 61.300 0.303 0.000 1.051 176 I CB 2.206 40.329 38.000 0.204 0.000 1.234 176 I HN 0.551 8.761 8.210 0.000 0.000 0.425 177 I N 5.887 126.665 120.570 0.347 0.000 2.378 177 I HA 0.379 4.551 4.170 0.003 0.000 0.291 177 I C -0.561 175.650 176.117 0.158 0.000 0.992 177 I CA -0.518 60.908 61.300 0.211 0.000 1.154 177 I CB 1.695 39.789 38.000 0.157 0.000 1.315 177 I HN 0.501 8.711 8.210 0.000 0.000 0.448 178 Q N 6.514 126.387 119.800 0.121 0.000 2.353 178 Q HA 0.605 4.947 4.340 0.003 0.000 0.268 178 Q C -1.252 174.772 176.000 0.040 0.000 1.045 178 Q CA -0.854 55.002 55.803 0.089 0.000 0.811 178 Q CB 3.365 32.175 28.738 0.119 0.000 1.305 178 Q HN 0.536 8.806 8.270 0.000 0.000 0.447 179 L N 2.821 124.056 121.223 0.019 0.000 2.282 179 L HA 0.443 4.785 4.340 0.003 0.000 0.288 179 L C -0.225 176.645 176.870 -0.001 0.000 1.033 179 L CA -0.689 54.145 54.840 -0.010 0.000 0.807 179 L CB 0.895 42.938 42.059 -0.027 0.000 1.209 179 L HN 0.468 8.698 8.230 0.000 0.000 0.423 180 M N 3.433 123.032 119.600 -0.002 0.000 2.283 180 M HA 0.281 4.763 4.480 0.003 0.000 0.314 180 M C -1.352 174.948 176.300 -0.001 0.000 1.153 180 M CA -2.294 53.008 55.300 0.004 0.000 1.084 180 M CB 0.415 33.021 32.600 0.009 0.000 1.468 180 M HN 0.179 8.469 8.290 0.000 0.000 0.474 181 P HA -0.113 4.307 4.420 0.000 0.000 0.218 181 P C 1.155 178.454 177.300 -0.002 0.000 1.146 181 P CA 1.388 64.487 63.100 -0.002 0.000 0.813 181 P CB 0.096 31.796 31.700 -0.001 0.000 0.778 182 G N -1.642 107.158 108.800 0.001 0.000 2.572 182 G HA2 -0.084 3.878 3.960 0.003 0.000 0.216 182 G HA3 -0.084 3.878 3.960 0.003 0.000 0.216 182 G C 0.352 175.252 174.900 0.000 0.000 1.133 182 G CA 0.202 45.304 45.100 0.002 0.000 0.791 182 G HN 0.214 8.504 8.290 0.000 0.000 0.538 183 T N 2.629 117.179 114.554 -0.007 0.000 2.784 183 T HA 0.154 4.506 4.350 0.003 0.000 0.291 183 T C -0.248 174.442 174.700 -0.017 0.000 0.942 183 T CA -0.127 61.963 62.100 -0.017 0.000 1.161 183 T CB 0.938 69.782 68.868 -0.040 0.000 0.885 183 T HN 0.132 8.372 8.240 0.000 0.000 0.534 184 D N 3.432 123.825 120.400 -0.011 0.000 2.424 184 D HA 0.022 4.664 4.640 0.003 0.000 0.244 184 D C 0.337 176.629 176.300 -0.014 0.000 1.134 184 D CA -0.129 53.867 54.000 -0.007 0.000 0.881 184 D CB 0.757 41.558 40.800 0.002 0.000 1.191 184 D HN 0.642 9.012 8.370 0.000 0.000 0.445 185 D N 1.066 121.459 120.400 -0.011 0.000 2.597 185 D HA 0.012 4.654 4.640 0.003 0.000 0.228 185 D C 0.769 177.062 176.300 -0.011 0.000 1.120 185 D CA 0.021 54.013 54.000 -0.013 0.000 1.083 185 D CB 0.031 40.826 40.800 -0.008 0.000 1.116 185 D HN 0.500 8.870 8.370 0.000 0.000 0.487 186 E N -0.191 119.999 120.200 -0.017 0.000 1.292 186 E HA -0.198 4.154 4.350 0.003 0.000 0.214 186 E C 1.238 177.828 176.600 -0.018 0.000 1.047 186 E CA 0.541 56.934 56.400 -0.011 0.000 1.073 186 E CB -1.185 28.514 29.700 -0.001 0.000 4.695 186 E HN 0.281 8.641 8.360 0.000 0.000 0.688 187 T N 0.592 115.129 114.554 -0.029 0.000 2.985 187 T HA 0.158 4.510 4.350 0.003 0.000 0.266 187 T C 2.079 176.698 174.700 -0.134 0.000 1.076 187 T CA 0.979 63.041 62.100 -0.063 0.000 1.135 187 T CB -0.355 68.488 68.868 -0.041 0.000 0.890 187 T HN 0.208 8.448 8.240 0.000 0.000 0.480 188 I N 2.598 123.110 120.570 -0.097 0.000 2.208 188 I HA -0.183 3.988 4.170 0.003 0.000 0.245 188 I C 3.062 179.135 176.117 -0.074 0.000 1.097 188 I CA 1.949 63.195 61.300 -0.091 0.000 1.363 188 I CB -0.590 37.378 38.000 -0.052 0.000 1.051 188 I HN 0.528 8.738 8.210 0.000 0.000 0.413 189 T N -1.868 112.656 114.554 -0.050 0.000 2.942 189 T HA -0.077 4.274 4.350 0.003 0.000 0.265 189 T C 1.834 176.515 174.700 -0.032 0.000 1.062 189 T CA 0.539 62.620 62.100 -0.032 0.000 1.139 189 T CB -0.195 68.663 68.868 -0.017 0.000 0.883 189 T HN 0.248 8.488 8.240 0.000 0.000 0.468 190 K N 0.883 121.259 120.400 -0.039 0.000 2.057 190 K HA 0.050 4.372 4.320 0.003 0.000 0.207 190 K C 2.234 178.809 176.600 -0.043 0.000 1.049 190 K CA 1.433 57.707 56.287 -0.022 0.000 0.931 190 K CB -0.385 32.120 32.500 0.008 0.000 0.714 190 K HN 0.421 8.671 8.250 0.000 0.000 0.440 191 I N 0.973 121.473 120.570 -0.117 0.000 2.406 191 I HA -0.183 3.989 4.170 0.003 0.000 0.249 191 I C 2.179 178.259 176.117 -0.061 0.000 1.122 191 I CA 1.060 62.283 61.300 -0.129 0.000 1.431 191 I CB -0.104 37.740 38.000 -0.260 0.000 1.087 191 I HN 0.160 8.370 8.210 0.000 0.000 0.424 192 E N 0.179 120.350 120.200 -0.048 0.000 2.150 192 E HA -0.275 4.077 4.350 0.003 0.000 0.193 192 E C 2.083 178.681 176.600 -0.004 0.000 0.985 192 E CA 0.970 57.359 56.400 -0.017 0.000 0.814 192 E CB 0.058 29.750 29.700 -0.014 0.000 0.752 192 E HN 0.370 8.730 8.360 0.000 0.000 0.466 193 Q N 0.317 120.113 119.800 -0.007 0.000 2.049 193 Q HA -0.126 4.215 4.340 0.003 0.000 0.198 193 Q C 2.300 178.304 176.000 0.006 0.000 0.971 193 Q CA 2.256 58.060 55.803 0.002 0.000 0.833 193 Q CB -0.093 28.646 28.738 0.002 0.000 0.896 193 Q HN 0.174 8.444 8.270 0.000 0.000 0.434 194 R N 0.434 120.936 120.500 0.003 0.000 2.120 194 R HA -0.042 4.300 4.340 0.003 0.000 0.234 194 R C 2.118 178.418 176.300 -0.001 0.000 1.123 194 R CA 1.615 57.718 56.100 0.005 0.000 0.975 194 R CB -1.544 28.763 30.300 0.013 0.000 0.866 194 R HN 0.405 8.675 8.270 0.000 0.000 0.446 195 L N 1.132 122.354 121.223 -0.001 0.000 2.027 195 L HA -0.139 4.202 4.340 0.003 0.000 0.206 195 L C 2.937 179.829 176.870 0.037 0.000 1.074 195 L CA 1.836 56.684 54.840 0.014 0.000 0.745 195 L CB -0.438 41.641 42.059 0.035 0.000 0.898 195 L HN 0.592 8.822 8.230 0.000 0.000 0.433 196 S N -1.366 114.352 115.700 0.031 0.000 2.507 196 S HA -0.133 4.339 4.470 0.003 0.000 0.235 196 S C 1.750 176.366 174.600 0.027 0.000 0.988 196 S CA 0.680 58.899 58.200 0.032 0.000 0.944 196 S CB -0.032 63.182 63.200 0.023 0.000 0.762 196 S HN 0.432 8.742 8.310 0.000 0.000 0.526 197 Q N 0.733 120.545 119.800 0.021 0.000 2.423 197 Q HA 0.266 4.607 4.340 0.003 0.000 0.231 197 Q C 1.135 177.146 176.000 0.018 0.000 0.894 197 Q CA 0.525 56.338 55.803 0.018 0.000 0.938 197 Q CB 0.437 29.183 28.738 0.013 0.000 1.079 197 Q HN 0.676 8.946 8.270 0.000 0.000 0.552 198 V N 0.249 120.173 119.914 0.016 0.000 3.237 198 V HA 0.108 4.230 4.120 0.003 0.000 0.305 198 V C 0.370 176.482 176.094 0.030 0.000 1.096 198 V CA -0.573 61.735 62.300 0.014 0.000 1.130 198 V CB 0.344 32.163 31.823 -0.007 0.000 1.048 198 V HN 0.069 8.259 8.190 0.000 0.000 0.484 199 E N 2.738 122.956 120.200 0.030 0.000 2.383 199 E HA 0.272 4.624 4.350 0.003 0.000 0.264 199 E C -2.209 174.431 176.600 0.067 0.000 1.050 199 E CA -1.399 55.026 56.400 0.041 0.000 0.896 199 E CB 0.377 30.097 29.700 0.034 0.000 0.982 199 E HN 0.724 9.084 8.360 0.000 0.000 0.424 200 P HA -0.089 4.331 4.420 0.000 0.000 0.268 200 P C 0.663 178.026 177.300 0.104 0.000 1.208 200 P CA -0.029 63.125 63.100 0.091 0.000 0.777 200 P CB 0.635 32.371 31.700 0.061 0.000 0.875 201 I N 2.558 123.213 120.570 0.141 0.000 2.315 201 I HA -0.295 3.877 4.170 0.003 0.000 0.251 201 I C 2.145 178.310 176.117 0.080 0.000 1.125 201 I CA 2.278 63.667 61.300 0.149 0.000 1.392 201 I CB -0.903 37.170 38.000 0.121 0.000 1.065 201 I HN 0.436 8.646 8.210 0.000 0.000 0.424 202 S N -0.195 115.538 115.700 0.054 0.000 2.382 202 S HA -0.251 4.221 4.470 0.003 0.000 0.228 202 S C 2.155 176.779 174.600 0.040 0.000 1.027 202 S CA 1.332 59.555 58.200 0.039 0.000 0.991 202 S CB -0.591 62.628 63.200 0.031 0.000 0.823 202 S HN 0.441 8.751 8.310 0.000 0.000 0.469 203 K N 1.435 121.861 120.400 0.043 0.000 2.057 203 K HA 0.182 4.503 4.320 0.003 0.000 0.206 203 K C 2.053 178.676 176.600 0.039 0.000 1.050 203 K CA 1.223 57.532 56.287 0.038 0.000 0.935 203 K CB -0.630 31.891 32.500 0.036 0.000 0.715 203 K HN 0.462 8.712 8.250 0.000 0.000 0.439 204 L N 0.883 122.136 121.223 0.049 0.000 2.083 204 L HA -0.135 4.207 4.340 0.003 0.000 0.209 204 L C 2.271 179.166 176.870 0.041 0.000 1.083 204 L CA 1.334 56.202 54.840 0.047 0.000 0.752 204 L CB -0.694 41.403 42.059 0.063 0.000 0.899 204 L HN 0.297 8.527 8.230 0.000 0.000 0.433 205 I N -2.946 117.649 120.570 0.043 0.000 2.617 205 I HA -0.196 3.976 4.170 0.003 0.000 0.256 205 I C 2.478 178.612 176.117 0.028 0.000 1.167 205 I CA 0.989 62.309 61.300 0.033 0.000 1.469 205 I CB -0.425 37.593 38.000 0.030 0.000 1.098 205 I HN 0.268 8.478 8.210 0.000 0.000 0.436 206 Q N 2.178 121.996 119.800 0.029 0.000 2.084 206 Q HA -0.168 4.174 4.340 0.003 0.000 0.202 206 Q C 1.900 177.914 176.000 0.024 0.000 0.978 206 Q CA 1.769 57.588 55.803 0.026 0.000 0.844 206 Q CB 0.056 28.810 28.738 0.025 0.000 0.898 206 Q HN 0.537 8.807 8.270 0.000 0.000 0.426 207 K N -1.039 119.376 120.400 0.025 0.000 2.525 207 K HA 0.063 4.385 4.320 0.003 0.000 0.192 207 K C 0.754 177.368 176.600 0.023 0.000 1.029 207 K CA 0.585 56.886 56.287 0.022 0.000 1.029 207 K CB 0.352 32.865 32.500 0.021 0.000 0.814 207 K HN 0.464 8.714 8.250 0.000 0.000 0.503 208 G N 1.788 110.603 108.800 0.025 0.000 2.132 208 G HA2 -0.247 3.715 3.960 0.003 0.000 0.234 208 G HA3 -0.247 3.715 3.960 0.003 0.000 0.234 208 G C 0.056 174.973 174.900 0.029 0.000 0.989 208 G CA -0.326 44.790 45.100 0.027 0.000 0.676 208 G HN 0.177 8.467 8.290 0.000 0.000 0.522 209 L N 2.027 123.266 121.223 0.026 0.000 2.455 209 L HA 0.324 4.665 4.340 0.003 0.000 0.272 209 L C 1.749 178.633 176.870 0.023 0.000 1.174 209 L CA 0.437 55.292 54.840 0.026 0.000 0.869 209 L CB 0.338 42.410 42.059 0.022 0.000 1.130 209 L HN 0.471 8.701 8.230 0.000 0.000 0.474 210 T N 0.196 114.771 114.554 0.035 0.000 2.766 210 T HA 0.149 4.501 4.350 0.003 0.000 0.295 210 T C -1.753 172.941 174.700 -0.011 0.000 1.024 210 T CA -1.519 60.600 62.100 0.032 0.000 1.018 210 T CB 0.905 69.845 68.868 0.120 0.000 1.002 210 T HN 0.354 8.594 8.240 0.000 0.000 0.532 211 P HA -0.128 4.292 4.420 0.000 0.000 0.216 211 P C 1.292 178.598 177.300 0.010 0.000 1.157 211 P CA 1.333 64.385 63.100 -0.079 0.000 0.880 211 P CB -0.001 31.567 31.700 -0.220 0.000 0.791 212 E N -0.409 119.826 120.200 0.058 0.000 2.072 212 E HA -0.174 4.178 4.350 0.003 0.000 0.191 212 E C 1.979 178.593 176.600 0.023 0.000 0.985 212 E CA 1.147 57.578 56.400 0.052 0.000 0.801 212 E CB -0.690 29.057 29.700 0.078 0.000 0.750 212 E HN 0.407 8.767 8.360 0.000 0.000 0.452 213 E N 0.304 120.521 120.200 0.028 0.000 2.077 213 E HA -0.155 4.196 4.350 0.003 0.000 0.193 213 E C 2.060 178.656 176.600 -0.006 0.000 0.989 213 E CA 0.848 57.255 56.400 0.012 0.000 0.800 213 E CB -0.139 29.573 29.700 0.021 0.000 0.746 213 E HN 0.244 8.604 8.360 0.000 0.000 0.452 214 I N 0.898 121.466 120.570 -0.003 0.000 2.226 214 I HA -0.290 3.882 4.170 0.003 0.000 0.245 214 I C 2.243 178.308 176.117 -0.085 0.000 1.100 214 I CA 0.979 62.267 61.300 -0.021 0.000 1.374 214 I CB -0.116 37.904 38.000 0.033 0.000 1.057 214 I HN 0.119 8.329 8.210 0.000 0.000 0.413 215 L N 0.191 121.377 121.223 -0.061 0.000 2.046 215 L HA -0.248 4.094 4.340 0.003 0.000 0.208 215 L C 2.594 179.413 176.870 -0.084 0.000 1.077 215 L CA 1.607 56.392 54.840 -0.093 0.000 0.747 215 L CB -0.577 41.459 42.059 -0.039 0.000 0.896 215 L HN 0.305 8.535 8.230 0.000 0.000 0.432 216 E N 0.315 120.485 120.200 -0.050 0.000 2.085 216 E HA -0.309 4.043 4.350 0.003 0.000 0.194 216 E C 2.018 178.591 176.600 -0.046 0.000 0.994 216 E CA 1.632 58.008 56.400 -0.040 0.000 0.801 216 E CB 0.094 29.779 29.700 -0.026 0.000 0.743 216 E HN 0.357 8.717 8.360 0.000 0.000 0.453 217 E N -0.059 120.109 120.200 -0.053 0.000 2.031 217 E HA -0.145 4.207 4.350 0.003 0.000 0.193 217 E C 2.016 178.570 176.600 -0.076 0.000 0.994 217 E CA 1.488 57.858 56.400 -0.051 0.000 0.800 217 E CB -0.334 29.341 29.700 -0.041 0.000 0.752 217 E HN 0.178 8.538 8.360 0.000 0.000 0.447 218 V N 0.491 120.316 119.914 -0.148 0.000 2.407 218 V HA -0.200 3.922 4.120 0.003 0.000 0.248 218 V C 2.314 178.332 176.094 -0.127 0.000 1.055 218 V CA 1.616 63.785 62.300 -0.218 0.000 1.049 218 V CB -0.335 31.161 31.823 -0.545 0.000 0.662 218 V HN 0.330 8.520 8.190 0.000 0.000 0.455 219 L N -0.318 120.857 121.223 -0.079 0.000 2.270 219 L HA 0.224 4.566 4.340 0.003 0.000 0.210 219 L C 1.849 178.775 176.870 0.094 0.000 1.104 219 L CA 0.997 55.860 54.840 0.039 0.000 0.804 219 L CB -0.487 41.609 42.059 0.063 0.000 0.937 219 L HN 0.533 8.763 8.230 0.000 0.000 0.450 220 G N 0.999 109.813 108.800 0.023 0.000 2.148 220 G HA2 -0.286 3.675 3.960 0.003 0.000 0.254 220 G HA3 -0.286 3.675 3.960 0.003 0.000 0.254 220 G C 0.096 174.983 174.900 -0.022 0.000 0.981 220 G CA 0.549 45.660 45.100 0.017 0.000 0.670 220 G HN 0.565 8.855 8.290 0.000 0.000 0.528 221 E N -1.315 118.857 120.200 -0.047 0.000 2.388 221 E HA 0.534 4.886 4.350 0.003 0.000 0.280 221 E C -0.601 175.955 176.600 -0.074 0.000 1.019 221 E CA -1.182 55.159 56.400 -0.098 0.000 0.806 221 E CB 0.833 30.399 29.700 -0.223 0.000 1.246 221 E HN 0.124 8.484 8.360 0.000 0.000 0.443 222 K N 2.763 123.121 120.400 -0.070 0.000 2.379 222 K HA 0.216 4.538 4.320 0.003 0.000 0.284 222 K C -1.972 174.594 176.600 -0.057 0.000 1.044 222 K CA -1.401 54.855 56.287 -0.051 0.000 0.974 222 K CB 0.470 32.945 32.500 -0.042 0.000 0.962 222 K HN 0.383 8.633 8.250 0.000 0.000 0.474 223 P HA 0.054 4.474 4.420 0.000 0.000 0.278 223 P C -1.019 176.262 177.300 -0.032 0.000 1.238 223 P CA -0.285 62.794 63.100 -0.035 0.000 0.794 223 P CB 0.766 32.450 31.700 -0.026 0.000 0.955 224 E N 2.432 122.612 120.200 -0.034 0.000 2.292 224 E HA 0.084 4.436 4.350 0.003 0.000 0.265 224 E C -0.212 176.372 176.600 -0.027 0.000 1.093 224 E CA -0.471 55.911 56.400 -0.029 0.000 0.922 224 E CB 0.111 29.794 29.700 -0.029 0.000 1.001 224 E HN 0.229 8.589 8.360 0.000 0.000 0.444 225 I N 7.118 127.679 120.570 -0.016 0.000 2.436 225 I HA -0.044 4.127 4.170 0.003 0.000 0.289 225 I C 1.210 177.321 176.117 -0.010 0.000 1.083 225 I CA 0.313 61.608 61.300 -0.008 0.000 1.372 225 I CB 0.548 38.555 38.000 0.012 0.000 1.408 225 I HN 0.740 8.950 8.210 0.000 0.000 0.516 226 L N 4.415 125.628 121.223 -0.017 0.000 2.127 226 L HA 0.151 4.493 4.340 0.003 0.000 0.203 226 L C 0.893 177.766 176.870 0.004 0.000 1.080 226 L CA 0.799 55.632 54.840 -0.012 0.000 0.768 226 L CB 0.068 42.113 42.059 -0.024 0.000 0.924 226 L HN 0.636 8.866 8.230 0.000 0.000 0.444 227 E N -0.323 119.887 120.200 0.017 0.000 2.352 227 E HA 0.250 4.601 4.350 0.003 0.000 0.280 227 E C -1.244 175.392 176.600 0.060 0.000 0.930 227 E CA -0.423 55.997 56.400 0.034 0.000 0.765 227 E CB 2.117 31.843 29.700 0.043 0.000 1.219 227 E HN 0.005 8.365 8.360 0.000 0.000 0.434 228 T N 1.330 115.918 114.554 0.057 0.000 2.885 228 T HA 0.765 5.116 4.350 0.003 0.000 0.285 228 T C -0.128 174.617 174.700 0.075 0.000 1.019 228 T CA -0.838 61.319 62.100 0.095 0.000 1.010 228 T CB 1.045 69.945 68.868 0.053 0.000 1.022 228 T HN 0.518 8.758 8.240 0.000 0.000 0.466 229 M N 1.325 120.997 119.600 0.121 0.000 2.484 229 M HA 0.676 5.158 4.480 0.003 0.000 0.289 229 M C -3.075 173.301 176.300 0.126 0.000 1.206 229 M CA -2.266 53.087 55.300 0.088 0.000 0.892 229 M CB 2.460 35.105 32.600 0.074 0.000 1.712 229 M HN 0.296 8.586 8.290 0.000 0.000 0.462 230 P HA 0.367 4.787 4.420 0.000 0.000 0.276 230 P C -0.976 176.376 177.300 0.088 0.000 1.244 230 P CA -0.349 62.812 63.100 0.102 0.000 0.801 230 P CB 1.406 33.139 31.700 0.055 0.000 1.006 231 V N -0.425 119.547 119.914 0.096 0.000 3.040 231 V HA 0.930 5.051 4.120 0.003 0.000 0.312 231 V C -0.644 175.498 176.094 0.080 0.000 1.115 231 V CA -1.118 61.225 62.300 0.072 0.000 0.998 231 V CB 2.184 34.048 31.823 0.067 0.000 1.042 231 V HN 0.871 9.061 8.190 0.000 0.000 0.433 232 R N 2.030 122.577 120.500 0.080 0.000 2.690 232 R HA 0.558 4.900 4.340 0.003 0.000 0.269 232 R C -1.658 174.741 176.300 0.164 0.000 1.037 232 R CA -0.786 55.392 56.100 0.129 0.000 0.877 232 R CB 1.464 31.838 30.300 0.124 0.000 1.255 232 R HN 0.740 9.010 8.270 0.000 0.000 0.467 233 F N 2.041 122.042 119.950 0.084 0.000 2.504 233 F HA 0.268 4.796 4.527 0.003 0.000 0.369 233 F C -0.380 175.506 175.800 0.144 0.000 1.082 233 F CA 0.799 58.855 58.000 0.093 0.000 1.216 233 F CB 0.487 39.533 39.000 0.076 0.000 1.108 233 F HN 0.667 8.967 8.300 0.000 0.000 0.554 234 H N 4.834 123.819 119.070 -0.142 0.000 2.947 234 H HA 0.371 4.929 4.556 0.003 0.000 0.354 234 H C -1.645 173.601 175.328 -0.137 0.000 1.085 234 H CA -0.990 55.055 56.048 -0.006 0.000 1.253 234 H CB 1.404 31.158 29.762 -0.013 0.000 1.757 234 H HN 0.811 9.091 8.280 0.000 0.000 0.523 235 C N 7.994 126.975 119.300 -0.532 0.000 2.346 235 C HA 0.480 4.942 4.460 0.003 0.000 0.326 235 C C -1.826 172.922 174.990 -0.405 0.000 1.224 235 C CA -1.488 57.313 59.018 -0.362 0.000 1.408 235 C CB 0.851 28.555 27.740 -0.059 0.000 2.089 235 C HN 0.828 9.058 8.230 0.000 0.000 0.456 236 P HA 0.119 4.539 4.420 0.000 0.000 0.255 236 P C 0.663 177.983 177.300 0.032 0.000 1.357 236 P CA 0.025 63.095 63.100 -0.051 0.000 0.839 236 P CB -0.881 30.856 31.700 0.062 0.000 1.356 237 C N 0.115 119.460 119.300 0.076 0.000 2.727 237 C HA 0.639 5.101 4.460 0.003 0.000 0.401 237 C C 0.768 175.876 174.990 0.198 0.000 1.294 237 C CA -0.361 58.770 59.018 0.187 0.000 2.134 237 C CB -0.408 27.563 27.740 0.385 0.000 2.724 237 C HN 0.463 8.693 8.230 0.000 0.000 0.677 238 S N 0.505 116.281 115.700 0.127 0.000 2.596 238 S HA 0.399 4.871 4.470 0.003 0.000 0.270 238 S C 0.180 174.592 174.600 -0.312 0.000 1.155 238 S CA -0.726 57.485 58.200 0.018 0.000 0.827 238 S CB 1.439 64.671 63.200 0.053 0.000 1.130 238 S HN 0.957 9.267 8.310 0.000 0.000 0.467 239 K N 0.400 120.593 120.400 -0.344 0.000 2.032 239 K HA -0.047 4.275 4.320 0.003 0.000 0.209 239 K C -0.086 176.518 176.600 0.007 0.000 1.048 239 K CA 1.467 57.535 56.287 -0.365 0.000 0.927 239 K CB -0.353 32.082 32.500 -0.107 0.000 0.712 239 K HN 0.739 8.989 8.250 0.000 0.000 0.441 240 E N 0.550 120.770 120.200 0.033 0.000 2.159 240 E HA -0.010 4.342 4.350 0.003 0.000 0.272 240 E C 0.273 176.895 176.600 0.035 0.000 1.138 240 E CA 0.243 56.684 56.400 0.067 0.000 0.915 240 E CB 0.943 30.672 29.700 0.050 0.000 1.028 240 E HN 0.271 8.631 8.360 0.000 0.000 0.423 241 R N 2.102 122.620 120.500 0.031 0.000 1.243 241 R HA -0.172 4.170 4.340 0.003 0.000 0.061 241 R C 0.400 176.634 176.300 -0.111 0.000 0.925 241 R CA 0.248 56.322 56.100 -0.043 0.000 2.156 241 R CB -1.490 28.786 30.300 -0.039 0.000 0.434 241 R HN 0.449 8.719 8.270 0.000 0.000 0.702 242 F N 2.711 122.611 119.950 -0.083 0.000 2.269 242 F HA 0.030 4.558 4.527 0.003 0.000 0.301 242 F C 2.041 177.820 175.800 -0.035 0.000 1.082 242 F CA 1.878 59.872 58.000 -0.010 0.000 1.360 242 F CB -0.045 38.978 39.000 0.039 0.000 1.041 242 F HN 0.311 8.611 8.300 0.000 0.000 0.512 243 E N -0.296 119.980 120.200 0.127 0.000 2.086 243 E HA -0.283 4.068 4.350 0.003 0.000 0.200 243 E C 2.327 178.858 176.600 -0.116 0.000 1.012 243 E CA 2.196 58.555 56.400 -0.069 0.000 0.812 243 E CB -0.355 29.362 29.700 0.028 0.000 0.743 243 E HN 0.492 8.852 8.360 0.000 0.000 0.453 244 T N -0.956 113.548 114.554 -0.084 0.000 2.777 244 T HA -0.066 4.286 4.350 0.003 0.000 0.266 244 T C 2.070 176.702 174.700 -0.113 0.000 1.040 244 T CA 1.110 63.154 62.100 -0.094 0.000 1.141 244 T CB -0.315 68.502 68.868 -0.086 0.000 0.868 244 T HN 0.183 8.423 8.240 0.000 0.000 0.444 245 A N 1.810 124.545 122.820 -0.141 0.000 1.869 245 A HA -0.028 4.294 4.320 0.003 0.000 0.218 245 A C 2.415 179.940 177.584 -0.099 0.000 1.203 245 A CA 1.948 53.913 52.037 -0.119 0.000 0.638 245 A CB -1.067 17.868 19.000 -0.108 0.000 0.831 245 A HN 0.575 8.725 8.150 0.000 0.000 0.450 246 I N -0.638 119.846 120.570 -0.144 0.000 2.202 246 I HA -0.234 3.938 4.170 0.003 0.000 0.242 246 I C 2.396 178.424 176.117 -0.148 0.000 1.091 246 I CA 1.025 62.210 61.300 -0.191 0.000 1.368 246 I CB -0.254 37.498 38.000 -0.414 0.000 1.058 246 I HN 0.300 8.510 8.210 0.000 0.000 0.410 247 L N 0.290 121.429 121.223 -0.140 0.000 2.089 247 L HA -0.229 4.113 4.340 0.003 0.000 0.213 247 L C 2.433 179.259 176.870 -0.073 0.000 1.079 247 L CA 1.674 56.457 54.840 -0.094 0.000 0.758 247 L CB -0.994 41.019 42.059 -0.078 0.000 0.891 247 L HN 0.373 8.603 8.230 0.000 0.000 0.433 248 G N -0.829 107.927 108.800 -0.074 0.000 2.559 248 G HA2 -0.093 3.869 3.960 0.003 0.000 0.216 248 G HA3 -0.093 3.869 3.960 0.003 0.000 0.216 248 G C 1.485 176.354 174.900 -0.051 0.000 1.126 248 G CA 0.263 45.328 45.100 -0.059 0.000 0.778 248 G HN 0.299 8.589 8.290 0.000 0.000 0.543 249 L N -0.606 120.584 121.223 -0.055 0.000 2.202 249 L HA 0.393 4.735 4.340 0.003 0.000 0.205 249 L C 1.627 178.473 176.870 -0.040 0.000 1.083 249 L CA 0.657 55.471 54.840 -0.044 0.000 0.790 249 L CB -0.391 41.641 42.059 -0.045 0.000 0.942 249 L HN 0.399 8.629 8.230 0.000 0.000 0.452 250 G N 0.055 108.827 108.800 -0.046 0.000 2.337 250 G HA2 -0.167 3.795 3.960 0.003 0.000 0.197 250 G HA3 -0.167 3.795 3.960 0.003 0.000 0.197 250 G C -0.078 174.800 174.900 -0.036 0.000 1.238 250 G CA -0.136 44.941 45.100 -0.038 0.000 1.119 250 G HN 0.015 8.305 8.290 0.000 0.000 0.514 251 K N 0.015 120.399 120.400 -0.027 0.000 2.354 251 K HA 0.234 4.556 4.320 0.003 0.000 0.194 251 K C 2.279 178.869 176.600 -0.018 0.000 1.045 251 K CA 0.506 56.780 56.287 -0.023 0.000 1.026 251 K CB 0.375 32.864 32.500 -0.018 0.000 0.866 251 K HN 0.331 8.581 8.250 0.000 0.000 0.530 252 K N 1.553 121.943 120.400 -0.017 0.000 1.992 252 K HA -0.060 4.262 4.320 0.003 0.000 0.210 252 K C 1.718 178.311 176.600 -0.013 0.000 1.036 252 K CA 1.165 57.444 56.287 -0.013 0.000 0.946 252 K CB -0.033 32.460 32.500 -0.012 0.000 0.742 252 K HN 0.072 8.322 8.250 0.000 0.000 0.442 253 E N 0.783 120.974 120.200 -0.015 0.000 2.333 253 E HA -0.192 4.160 4.350 0.003 0.000 0.200 253 E C 1.897 178.487 176.600 -0.016 0.000 1.010 253 E CA 0.868 57.259 56.400 -0.014 0.000 0.841 253 E CB -0.189 29.501 29.700 -0.017 0.000 0.757 253 E HN 0.305 8.665 8.360 0.000 0.000 0.508 254 I N 0.207 120.764 120.570 -0.022 0.000 2.333 254 I HA -0.222 3.950 4.170 0.003 0.000 0.246 254 I C 2.524 178.634 176.117 -0.012 0.000 1.106 254 I CA 0.751 62.036 61.300 -0.026 0.000 1.411 254 I CB -0.044 37.932 38.000 -0.039 0.000 1.082 254 I HN 0.000 8.210 8.210 0.000 0.000 0.420 255 Q N 1.075 120.870 119.800 -0.009 0.000 2.226 255 Q HA -0.183 4.158 4.340 0.003 0.000 0.204 255 Q C 1.178 177.179 176.000 0.001 0.000 0.975 255 Q CA 1.635 57.436 55.803 -0.002 0.000 0.866 255 Q CB -0.028 28.708 28.738 -0.003 0.000 0.915 255 Q HN 0.470 8.740 8.270 0.000 0.000 0.440 256 D N -1.017 119.383 120.400 -0.000 0.000 1.992 256 D HA -0.068 4.574 4.640 0.003 0.000 0.280 256 D C 1.454 177.758 176.300 0.008 0.000 1.060 256 D CA 1.102 55.104 54.000 0.003 0.000 0.877 256 D CB -0.425 40.376 40.800 0.001 0.000 1.010 256 D HN 0.106 8.476 8.370 0.000 0.000 0.385 257 M N -0.870 118.735 119.600 0.009 0.000 1.967 257 M HA -0.353 4.129 4.480 0.003 0.000 0.250 257 M C 1.192 177.506 176.300 0.023 0.000 0.856 257 M CA 1.536 56.846 55.300 0.017 0.000 0.924 257 M CB -0.998 31.612 32.600 0.017 0.000 1.564 257 M HN 0.164 8.454 8.290 0.000 0.000 0.354 258 I N -1.484 119.098 120.570 0.020 0.000 5.197 258 I HA -0.004 4.168 4.170 0.003 0.000 0.229 258 I C 1.970 178.098 176.117 0.018 0.000 0.946 258 I CA 0.582 61.896 61.300 0.024 0.000 1.629 258 I CB -0.685 37.330 38.000 0.025 0.000 1.444 258 I HN -0.033 8.177 8.210 0.000 0.000 0.457 259 E N 0.706 120.915 120.200 0.014 0.000 2.614 259 E HA -0.309 4.043 4.350 0.003 0.000 0.253 259 E C 1.381 177.987 176.600 0.011 0.000 1.236 259 E CA 1.840 58.246 56.400 0.011 0.000 0.930 259 E CB -0.169 29.536 29.700 0.008 0.000 0.794 259 E HN 0.578 8.938 8.360 0.000 0.000 0.492 260 E N -2.324 117.883 120.200 0.012 0.000 2.421 260 E HA 0.081 4.433 4.350 0.003 0.000 0.209 260 E C 0.636 177.244 176.600 0.014 0.000 0.871 260 E CA 0.773 57.180 56.400 0.012 0.000 1.064 260 E CB 0.473 30.179 29.700 0.011 0.000 1.075 260 E HN 0.248 8.608 8.360 0.000 0.000 0.513 261 D N -1.396 119.015 120.400 0.018 0.000 2.335 261 D HA 0.135 4.776 4.640 0.003 0.000 0.284 261 D C 0.768 177.082 176.300 0.023 0.000 1.096 261 D CA 0.575 54.587 54.000 0.020 0.000 0.844 261 D CB 1.479 42.293 40.800 0.024 0.000 1.454 261 D HN 0.170 8.540 8.370 0.000 0.000 0.526 262 G N 1.244 110.059 108.800 0.026 0.000 2.143 262 G HA2 -0.274 3.688 3.960 0.003 0.000 0.248 262 G HA3 -0.274 3.688 3.960 0.003 0.000 0.248 262 G C 0.117 175.042 174.900 0.042 0.000 0.991 262 G CA 0.955 46.073 45.100 0.030 0.000 0.689 262 G HN 0.521 8.811 8.290 0.000 0.000 0.522 263 Q N -2.662 117.169 119.800 0.052 0.000 2.841 263 Q HA 0.798 5.140 4.340 0.003 0.000 0.309 263 Q C -0.835 175.221 176.000 0.092 0.000 0.868 263 Q CA -0.573 55.276 55.803 0.077 0.000 0.760 263 Q CB 0.849 29.623 28.738 0.060 0.000 1.454 263 Q HN 1.816 10.086 8.270 0.000 0.000 0.449 264 A N 0.301 123.207 122.820 0.143 0.000 2.612 264 A HA 0.708 5.030 4.320 0.003 0.000 0.293 264 A C -1.908 175.811 177.584 0.225 0.000 1.075 264 A CA -0.391 51.738 52.037 0.152 0.000 0.680 264 A CB 1.960 21.037 19.000 0.128 0.000 1.279 264 A HN 0.798 8.948 8.150 0.000 0.000 0.411 265 E N 0.229 120.539 120.200 0.184 0.000 2.340 265 E HA 0.791 5.143 4.350 0.003 0.000 0.273 265 E C -0.638 176.082 176.600 0.200 0.000 0.891 265 E CA -0.880 55.632 56.400 0.188 0.000 0.757 265 E CB 2.290 32.036 29.700 0.076 0.000 1.231 265 E HN 1.418 9.778 8.360 0.000 0.000 0.439 266 A N 1.641 124.600 122.820 0.232 0.000 2.498 266 A HA 0.675 4.997 4.320 0.003 0.000 0.298 266 A C -1.232 176.391 177.584 0.064 0.000 1.075 266 A CA -0.768 51.409 52.037 0.235 0.000 0.714 266 A CB 2.005 21.284 19.000 0.465 0.000 1.299 266 A HN 0.358 8.508 8.150 0.000 0.000 0.407 267 V N 0.561 120.559 119.914 0.140 0.000 2.588 267 V HA 0.344 4.466 4.120 0.003 0.000 0.304 267 V C 0.079 176.342 176.094 0.282 0.000 1.042 267 V CA -0.828 61.513 62.300 0.067 0.000 0.877 267 V CB 1.346 33.203 31.823 0.058 0.000 0.996 267 V HN 1.115 9.305 8.190 0.000 0.000 0.425 268 C N 6.147 125.600 119.300 0.254 0.000 2.629 268 C HA 0.211 4.673 4.460 0.003 0.000 0.410 268 C C 2.100 177.216 174.990 0.211 0.000 1.339 268 C CA -0.083 59.205 59.018 0.449 0.000 1.810 268 C CB -0.695 27.301 27.740 0.427 0.000 2.549 268 C HN 1.067 9.297 8.230 0.000 0.000 0.589 269 H N 3.777 122.865 119.070 0.031 0.000 2.470 269 H HA -0.044 4.513 4.556 0.003 0.000 0.289 269 H C 1.476 176.606 175.328 -0.330 0.000 1.033 269 H CA 1.436 57.292 56.048 -0.321 0.000 1.331 269 H CB -0.669 28.675 29.762 -0.697 0.000 1.414 269 H HN 0.703 8.983 8.280 0.000 0.000 0.545 270 F N 1.714 121.389 119.950 -0.459 0.000 2.234 270 F HA -0.037 4.492 4.527 0.003 0.000 0.296 270 F C 2.476 178.482 175.800 0.344 0.000 1.089 270 F CA 1.441 59.402 58.000 -0.066 0.000 1.343 270 F CB 0.030 38.944 39.000 -0.143 0.000 1.040 270 F HN 0.475 8.775 8.300 0.000 0.000 0.498 271 C N -2.652 116.868 119.300 0.366 0.000 3.642 271 C HA 0.431 4.893 4.460 0.003 0.000 0.305 271 C C 1.079 176.034 174.990 -0.058 0.000 1.492 271 C CA -0.205 58.953 59.018 0.234 0.000 1.809 271 C CB -0.883 27.026 27.740 0.282 0.000 2.639 271 C HN 0.539 8.769 8.230 0.000 0.000 0.672 272 N N 1.449 120.144 118.700 -0.008 0.000 2.753 272 N HA -0.159 4.582 4.740 0.003 0.000 0.251 272 N C -0.473 174.959 175.510 -0.129 0.000 1.097 272 N CA 1.089 54.095 53.050 -0.073 0.000 0.786 272 N CB -1.239 37.143 38.487 -0.174 0.000 1.137 272 N HN 0.755 9.135 8.380 0.000 0.000 0.566 273 E N 0.727 120.842 120.200 -0.141 0.000 2.384 273 E HA 0.022 4.374 4.350 0.003 0.000 0.266 273 E C 0.489 176.810 176.600 -0.464 0.000 1.012 273 E CA 0.282 56.488 56.400 -0.324 0.000 0.901 273 E CB 0.811 30.268 29.700 -0.406 0.000 0.967 273 E HN 0.314 8.674 8.360 0.000 0.000 0.435 274 K N 2.735 122.805 120.400 -0.550 0.000 2.221 274 K HA 0.305 4.627 4.320 0.003 0.000 0.258 274 K C -1.438 174.738 176.600 -0.707 0.000 0.944 274 K CA -0.576 55.431 56.287 -0.466 0.000 0.823 274 K CB 0.721 33.074 32.500 -0.246 0.000 1.113 274 K HN 0.312 8.562 8.250 0.000 0.000 0.431 275 Y N 3.448 123.562 120.300 -0.310 0.000 2.331 275 Y HA 0.360 4.912 4.550 0.004 0.000 0.334 275 Y C -0.587 175.126 175.900 -0.312 0.000 0.960 275 Y CA -0.791 57.082 58.100 -0.378 0.000 1.130 275 Y CB 1.629 39.805 38.460 -0.474 0.000 1.164 275 Y HN 0.442 8.722 8.280 0.000 0.000 0.458 276 L N 4.735 125.801 121.223 -0.260 0.000 2.287 276 L HA 0.594 4.936 4.340 0.003 0.000 0.287 276 L C -1.582 175.077 176.870 -0.352 0.000 1.022 276 L CA -0.359 54.371 54.840 -0.183 0.000 0.814 276 L CB 0.314 42.304 42.059 -0.116 0.000 1.217 276 L HN 0.458 8.688 8.230 0.000 0.000 0.420 277 F N 3.086 123.062 119.950 0.044 0.000 2.385 277 F HA 0.357 4.886 4.527 0.002 0.000 0.360 277 F C 1.037 176.853 175.800 0.027 0.000 1.122 277 F CA -0.566 57.459 58.000 0.041 0.000 1.090 277 F CB 1.466 40.495 39.000 0.047 0.000 1.150 277 F HN 0.501 8.801 8.300 0.000 0.000 0.472 278 T N -0.759 113.868 114.554 0.122 0.000 2.766 278 T HA 0.134 4.486 4.350 0.003 0.000 0.295 278 T C 1.423 176.183 174.700 0.101 0.000 1.024 278 T CA -0.663 61.485 62.100 0.081 0.000 1.018 278 T CB 1.067 69.961 68.868 0.044 0.000 1.002 278 T HN 0.728 8.968 8.240 0.000 0.000 0.532 279 K N 0.539 120.979 120.400 0.067 0.000 2.020 279 K HA -0.205 4.117 4.320 0.003 0.000 0.212 279 K C 2.304 178.937 176.600 0.056 0.000 1.050 279 K CA 2.066 58.386 56.287 0.056 0.000 0.929 279 K CB -0.249 32.273 32.500 0.037 0.000 0.714 279 K HN 0.779 9.029 8.250 0.000 0.000 0.443 280 E N 0.168 120.399 120.200 0.051 0.000 2.097 280 E HA -0.239 4.113 4.350 0.003 0.000 0.196 280 E C 2.067 178.707 176.600 0.066 0.000 1.000 280 E CA 1.703 58.132 56.400 0.048 0.000 0.804 280 E CB -0.043 29.681 29.700 0.040 0.000 0.740 280 E HN 0.438 8.798 8.360 0.000 0.000 0.454 281 E N 0.534 120.793 120.200 0.098 0.000 2.072 281 E HA -0.147 4.205 4.350 0.003 0.000 0.191 281 E C 2.211 178.893 176.600 0.137 0.000 0.985 281 E CA 0.676 57.166 56.400 0.149 0.000 0.801 281 E CB -0.024 29.819 29.700 0.238 0.000 0.750 281 E HN 0.206 8.566 8.360 0.000 0.000 0.452 282 L N 0.823 122.120 121.223 0.122 0.000 2.131 282 L HA -0.188 4.154 4.340 0.003 0.000 0.210 282 L C 2.231 179.118 176.870 0.028 0.000 1.092 282 L CA 1.130 56.005 54.840 0.058 0.000 0.759 282 L CB -0.277 41.817 42.059 0.058 0.000 0.903 282 L HN 0.123 8.353 8.230 0.000 0.000 0.435 283 E N 0.142 120.364 120.200 0.037 0.000 2.106 283 E HA -0.147 4.204 4.350 0.003 0.000 0.192 283 E C 2.074 178.687 176.600 0.020 0.000 0.984 283 E CA 0.830 57.244 56.400 0.024 0.000 0.806 283 E CB -0.297 29.419 29.700 0.025 0.000 0.750 283 E HN 0.522 8.882 8.360 0.000 0.000 0.458 284 G N 0.899 109.717 108.800 0.030 0.000 2.657 284 G HA2 -0.184 3.778 3.960 0.003 0.000 0.210 284 G HA3 -0.184 3.778 3.960 0.003 0.000 0.210 284 G C 1.102 176.009 174.900 0.012 0.000 1.145 284 G CA 0.384 45.500 45.100 0.027 0.000 0.776 284 G HN 0.122 8.412 8.290 0.000 0.000 0.540 285 L N -0.675 120.548 121.223 0.000 0.000 2.769 285 L HA 0.302 4.644 4.340 0.003 0.000 0.175 285 L C 1.801 178.664 176.870 -0.011 0.000 1.099 285 L CA 0.250 55.083 54.840 -0.012 0.000 0.876 285 L CB -0.606 41.434 42.059 -0.032 0.000 1.498 285 L HN 0.391 8.621 8.230 0.000 0.000 0.499 286 R N 0.000 120.492 120.500 -0.013 0.000 2.786 286 R HA 0.000 4.342 4.340 0.003 0.000 0.208 286 R CA 0.000 56.094 56.100 -0.011 0.000 0.921 286 R CB 0.000 30.296 30.300 -0.007 0.000 0.687 286 R HN 0.000 8.270 8.270 0.000 0.000 0.535