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 3brh_1_A DATA FIRST_RESID 3 DATA SEQUENCE QREILQKFLD EAQSKKITKE EFANEFLKLK RQSTKYKADK TYPTTVAEKP DATA SEQUENCE KNIKKNRYKD ILPYDYSRVE LSLITSDEDS SYINANFIKG VYGPKAYIAT DATA SEQUENCE QGPLSTTLLD FWRMIWEYSV LIIVMACMEY EMGKKKCERY WAEPGEMQLE DATA SEQUENCE FGPFSVSCEA EKRKSDYIIR TLKVKFNSET RTIYQFHYKN WPAHDVPSSI DATA SEQUENCE DPILELIWDV RCYQEDDSVP ICIHSSAGCG RTGVICAIDY TWMLLKDGII DATA SEQUENCE PENFSVFSLI REMRTQRPSL VQTQEQYELV YNAVLELFKR QMDVIR 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 3 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 3 Q C 0.000 176.007 176.000 0.012 0.000 1.003 3 Q CA 0.000 55.803 55.803 0.001 0.000 1.022 3 Q CB 0.000 28.720 28.738 -0.030 0.000 1.108 4 R N 1.631 122.141 120.500 0.016 0.000 2.105 4 R HA -0.119 4.222 4.340 0.001 0.000 0.239 4 R C 1.984 178.316 176.300 0.053 0.000 1.135 4 R CA 2.757 58.873 56.100 0.027 0.000 0.967 4 R CB -0.811 29.502 30.300 0.022 0.000 0.861 4 R HN 0.547 8.817 8.270 -0.000 0.000 0.442 5 E N 0.384 120.617 120.200 0.055 0.000 2.076 5 E HA 0.126 4.477 4.350 0.001 0.000 0.190 5 E C 2.172 178.834 176.600 0.103 0.000 0.979 5 E CA 1.126 57.569 56.400 0.070 0.000 0.807 5 E CB -0.558 29.176 29.700 0.056 0.000 0.761 5 E HN 0.703 9.063 8.360 -0.000 0.000 0.454 6 I N -0.056 120.579 120.570 0.108 0.000 2.145 6 I HA -0.299 3.872 4.170 0.001 0.000 0.244 6 I C 2.493 178.769 176.117 0.265 0.000 1.075 6 I CA 1.348 62.746 61.300 0.163 0.000 1.332 6 I CB -0.124 37.953 38.000 0.128 0.000 1.033 6 I HN 0.244 8.454 8.210 -0.000 0.000 0.410 7 L N -0.110 121.259 121.223 0.243 0.000 2.056 7 L HA -0.220 4.121 4.340 0.001 0.000 0.207 7 L C 2.488 179.569 176.870 0.351 0.000 1.078 7 L CA 1.727 56.803 54.840 0.393 0.000 0.749 7 L CB -0.923 41.249 42.059 0.188 0.000 0.901 7 L HN 0.281 8.511 8.230 -0.000 0.000 0.433 8 Q N -0.073 119.849 119.800 0.204 0.000 2.172 8 Q HA -0.189 4.152 4.340 0.001 0.000 0.200 8 Q C 2.142 178.217 176.000 0.124 0.000 0.964 8 Q CA 1.578 57.468 55.803 0.145 0.000 0.855 8 Q CB -0.068 28.727 28.738 0.094 0.000 0.918 8 Q HN 0.390 8.660 8.270 -0.000 0.000 0.444 9 K N -0.553 119.930 120.400 0.138 0.000 1.978 9 K HA -0.198 4.122 4.320 0.001 0.000 0.214 9 K C 1.764 178.424 176.600 0.100 0.000 1.049 9 K CA 1.661 58.015 56.287 0.112 0.000 0.939 9 K CB -0.706 31.870 32.500 0.128 0.000 0.721 9 K HN 0.249 8.499 8.250 -0.000 0.000 0.441 10 F N 1.510 121.482 119.950 0.037 0.000 2.045 10 F HA -0.317 4.211 4.527 0.001 0.000 0.297 10 F C 1.829 177.553 175.800 -0.127 0.000 1.114 10 F CA 2.112 60.064 58.000 -0.079 0.000 1.207 10 F CB -0.430 38.428 39.000 -0.236 0.000 0.964 10 F HN 0.065 8.365 8.300 -0.000 0.000 0.486 11 L N -0.323 120.951 121.223 0.085 0.000 2.043 11 L HA -0.289 4.051 4.340 0.001 0.000 0.212 11 L C 2.167 179.016 176.870 -0.035 0.000 1.075 11 L CA 1.730 56.583 54.840 0.022 0.000 0.752 11 L CB -0.831 41.295 42.059 0.111 0.000 0.891 11 L HN 0.208 8.438 8.230 -0.000 0.000 0.432 12 D N -0.462 119.929 120.400 -0.015 0.000 2.149 12 D HA -0.128 4.512 4.640 0.001 0.000 0.201 12 D C 2.092 178.357 176.300 -0.059 0.000 0.972 12 D CA 0.936 54.923 54.000 -0.021 0.000 0.835 12 D CB -0.012 40.789 40.800 0.001 0.000 0.966 12 D HN 0.449 8.819 8.370 -0.000 0.000 0.476 13 E N 1.347 121.486 120.200 -0.102 0.000 2.031 13 E HA -0.122 4.229 4.350 0.001 0.000 0.193 13 E C 2.229 178.739 176.600 -0.150 0.000 0.994 13 E CA 0.984 57.304 56.400 -0.132 0.000 0.800 13 E CB -0.125 29.470 29.700 -0.174 0.000 0.752 13 E HN 0.137 8.497 8.360 -0.000 0.000 0.447 14 A N 1.554 124.241 122.820 -0.222 0.000 1.903 14 A HA -0.329 3.992 4.320 0.001 0.000 0.219 14 A C 2.221 179.773 177.584 -0.054 0.000 1.191 14 A CA 2.130 54.088 52.037 -0.133 0.000 0.638 14 A CB -0.634 18.265 19.000 -0.170 0.000 0.823 14 A HN 0.141 8.291 8.150 -0.000 0.000 0.451 15 Q N -0.107 119.661 119.800 -0.052 0.000 2.119 15 Q HA -0.067 4.273 4.340 0.001 0.000 0.201 15 Q C 2.243 178.226 176.000 -0.028 0.000 0.972 15 Q CA 2.044 57.832 55.803 -0.025 0.000 0.847 15 Q CB -0.611 28.117 28.738 -0.016 0.000 0.903 15 Q HN 0.549 8.819 8.270 -0.000 0.000 0.433 16 S N -0.423 115.252 115.700 -0.042 0.000 2.402 16 S HA -0.047 4.423 4.470 0.001 0.000 0.229 16 S C 0.374 174.946 174.600 -0.047 0.000 1.021 16 S CA 0.942 59.118 58.200 -0.041 0.000 0.974 16 S CB 0.027 63.201 63.200 -0.044 0.000 0.800 16 S HN 0.184 8.494 8.310 -0.000 0.000 0.484 17 K N 1.439 121.802 120.400 -0.061 0.000 2.668 17 K HA 0.273 4.594 4.320 0.001 0.000 0.246 17 K C -1.180 175.373 176.600 -0.078 0.000 0.976 17 K CA -0.345 55.899 56.287 -0.073 0.000 0.902 17 K CB 1.167 33.614 32.500 -0.089 0.000 1.172 17 K HN -0.160 8.090 8.250 -0.000 0.000 0.452 18 K N 4.967 125.330 120.400 -0.062 0.000 2.270 18 K HA 0.376 4.696 4.320 0.001 0.000 0.276 18 K C 0.065 176.588 176.600 -0.128 0.000 1.023 18 K CA -0.529 55.727 56.287 -0.052 0.000 0.955 18 K CB 0.252 32.743 32.500 -0.015 0.000 0.975 18 K HN 0.603 8.853 8.250 -0.000 0.000 0.471 19 I N 3.765 124.215 120.570 -0.200 0.000 2.365 19 I HA 0.217 4.387 4.170 0.001 0.000 0.291 19 I C 1.138 177.088 176.117 -0.278 0.000 1.004 19 I CA -0.260 60.768 61.300 -0.453 0.000 1.311 19 I CB 0.928 38.291 38.000 -1.061 0.000 1.401 19 I HN 0.866 9.076 8.210 -0.000 0.000 0.491 20 T N 2.815 117.216 114.554 -0.255 0.000 2.944 20 T HA 0.354 4.705 4.350 0.001 0.000 0.284 20 T C 1.074 175.806 174.700 0.055 0.000 1.010 20 T CA -0.789 61.277 62.100 -0.056 0.000 1.025 20 T CB 2.006 70.842 68.868 -0.053 0.000 1.079 20 T HN 0.461 8.701 8.240 -0.000 0.000 0.516 21 K N 0.648 121.144 120.400 0.160 0.000 2.063 21 K HA -0.159 4.162 4.320 0.001 0.000 0.208 21 K C 2.010 178.699 176.600 0.148 0.000 1.048 21 K CA 1.671 58.090 56.287 0.219 0.000 0.928 21 K CB -0.313 32.264 32.500 0.129 0.000 0.713 21 K HN 0.849 9.099 8.250 -0.000 0.000 0.442 22 E N 1.177 121.414 120.200 0.062 0.000 2.110 22 E HA -0.196 4.154 4.350 0.001 0.000 0.193 22 E C 1.732 178.338 176.600 0.009 0.000 0.988 22 E CA 1.117 57.535 56.400 0.031 0.000 0.804 22 E CB 0.169 29.870 29.700 0.002 0.000 0.745 22 E HN 0.316 8.676 8.360 -0.000 0.000 0.458 23 E N -0.293 119.875 120.200 -0.054 0.000 2.023 23 E HA -0.193 4.158 4.350 0.001 0.000 0.196 23 E C 1.845 178.389 176.600 -0.093 0.000 1.003 23 E CA 1.582 57.894 56.400 -0.146 0.000 0.809 23 E CB -0.213 29.301 29.700 -0.310 0.000 0.755 23 E HN 0.242 8.602 8.360 -0.000 0.000 0.449 24 F N 0.664 120.629 119.950 0.026 0.000 2.161 24 F HA -0.207 4.321 4.527 0.001 0.000 0.300 24 F C 2.317 178.161 175.800 0.074 0.000 1.089 24 F CA 1.180 59.240 58.000 0.100 0.000 1.282 24 F CB -0.712 38.364 39.000 0.128 0.000 1.010 24 F HN 0.042 8.342 8.300 -0.000 0.000 0.485 25 A N -0.093 122.869 122.820 0.237 0.000 1.969 25 A HA -0.157 4.164 4.320 0.001 0.000 0.218 25 A C 2.172 179.830 177.584 0.124 0.000 1.169 25 A CA 1.648 53.787 52.037 0.169 0.000 0.635 25 A CB -0.630 18.437 19.000 0.111 0.000 0.810 25 A HN 0.329 8.479 8.150 -0.000 0.000 0.445 26 N N -0.219 118.518 118.700 0.062 0.000 2.106 26 N HA -0.134 4.606 4.740 0.001 0.000 0.188 26 N C 1.697 177.205 175.510 -0.002 0.000 1.029 26 N CA 1.469 54.525 53.050 0.010 0.000 0.848 26 N CB -0.418 38.049 38.487 -0.033 0.000 1.007 26 N HN 0.499 8.879 8.380 -0.000 0.000 0.423 27 E N 0.813 121.012 120.200 -0.002 0.000 2.055 27 E HA -0.183 4.167 4.350 0.001 0.000 0.209 27 E C 1.751 178.368 176.600 0.029 0.000 1.036 27 E CA 1.125 57.527 56.400 0.003 0.000 0.849 27 E CB -0.651 29.082 29.700 0.056 0.000 0.767 27 E HN 0.290 8.650 8.360 -0.000 0.000 0.461 28 F N 0.112 119.924 119.950 -0.230 0.000 2.154 28 F HA -0.191 4.336 4.527 0.001 0.000 0.301 28 F C 2.088 177.840 175.800 -0.080 0.000 1.087 28 F CA 1.287 59.148 58.000 -0.230 0.000 1.274 28 F CB -0.434 38.462 39.000 -0.174 0.000 1.009 28 F HN 0.171 8.471 8.300 -0.000 0.000 0.485 29 L N 1.078 122.276 121.223 -0.042 0.000 2.012 29 L HA -0.255 4.086 4.340 0.001 0.000 0.210 29 L C 2.287 179.080 176.870 -0.128 0.000 1.073 29 L CA 1.920 56.707 54.840 -0.088 0.000 0.748 29 L CB -0.959 41.094 42.059 -0.010 0.000 0.891 29 L HN 0.083 8.313 8.230 -0.000 0.000 0.431 30 K N -0.583 119.784 120.400 -0.054 0.000 2.059 30 K HA -0.240 4.080 4.320 0.001 0.000 0.212 30 K C 2.096 178.674 176.600 -0.038 0.000 1.050 30 K CA 2.018 58.314 56.287 0.015 0.000 0.927 30 K CB -0.670 31.913 32.500 0.137 0.000 0.714 30 K HN 0.398 8.648 8.250 -0.000 0.000 0.447 31 L N 1.115 122.228 121.223 -0.182 0.000 2.056 31 L HA -0.170 4.170 4.340 0.001 0.000 0.207 31 L C 2.475 179.117 176.870 -0.380 0.000 1.078 31 L CA 1.342 55.962 54.840 -0.366 0.000 0.749 31 L CB -0.357 41.346 42.059 -0.594 0.000 0.901 31 L HN 0.176 8.406 8.230 -0.000 0.000 0.433 32 K N -0.081 120.045 120.400 -0.457 0.000 2.057 32 K HA -0.133 4.188 4.320 0.001 0.000 0.206 32 K C 2.245 178.722 176.600 -0.205 0.000 1.050 32 K CA 1.096 57.192 56.287 -0.319 0.000 0.935 32 K CB -0.121 32.215 32.500 -0.274 0.000 0.715 32 K HN 0.248 8.498 8.250 -0.000 0.000 0.439 33 R N 1.207 121.600 120.500 -0.179 0.000 2.096 33 R HA -0.223 4.118 4.340 0.001 0.000 0.240 33 R C 2.432 178.604 176.300 -0.214 0.000 1.139 33 R CA 2.042 58.052 56.100 -0.151 0.000 0.952 33 R CB -0.393 29.842 30.300 -0.109 0.000 0.854 33 R HN 0.348 8.618 8.270 -0.000 0.000 0.436 34 Q N -0.017 119.625 119.800 -0.263 0.000 2.084 34 Q HA -0.102 4.239 4.340 0.001 0.000 0.202 34 Q C 2.170 177.674 176.000 -0.827 0.000 0.978 34 Q CA 1.815 57.328 55.803 -0.483 0.000 0.844 34 Q CB -0.078 28.420 28.738 -0.400 0.000 0.898 34 Q HN 0.197 8.467 8.270 -0.000 0.000 0.426 35 S N 0.296 115.721 115.700 -0.459 0.000 2.383 35 S HA -0.110 4.360 4.470 0.001 0.000 0.227 35 S C 2.040 176.583 174.600 -0.096 0.000 1.026 35 S CA 1.451 59.530 58.200 -0.202 0.000 0.981 35 S CB -0.324 62.892 63.200 0.026 0.000 0.818 35 S HN 0.417 8.727 8.310 -0.000 0.000 0.472 36 T N 1.978 116.458 114.554 -0.124 0.000 2.708 36 T HA -0.094 4.257 4.350 0.001 0.000 0.266 36 T C 1.853 176.507 174.700 -0.076 0.000 1.037 36 T CA 1.541 63.602 62.100 -0.065 0.000 1.146 36 T CB -0.277 68.553 68.868 -0.064 0.000 0.865 36 T HN 0.273 8.513 8.240 -0.000 0.000 0.435 37 K N 0.597 120.903 120.400 -0.158 0.000 2.281 37 K HA -0.111 4.210 4.320 0.001 0.000 0.203 37 K C 1.586 178.158 176.600 -0.047 0.000 1.046 37 K CA 1.309 57.518 56.287 -0.130 0.000 0.938 37 K CB -0.509 31.894 32.500 -0.161 0.000 0.737 37 K HN 0.441 8.691 8.250 -0.000 0.000 0.458 38 Y N 0.809 121.115 120.300 0.011 0.000 2.286 38 Y HA -0.046 4.504 4.550 0.001 0.000 0.293 38 Y C 1.900 177.804 175.900 0.006 0.000 1.124 38 Y CA 1.224 59.319 58.100 -0.008 0.000 1.178 38 Y CB -0.882 37.631 38.460 0.088 0.000 1.010 38 Y HN 0.141 8.421 8.280 -0.000 0.000 0.536 39 K N 1.124 121.629 120.400 0.176 0.000 1.969 39 K HA -0.137 4.184 4.320 0.001 0.000 0.216 39 K C 2.286 178.923 176.600 0.062 0.000 1.048 39 K CA 1.615 57.972 56.287 0.118 0.000 0.948 39 K CB -1.454 31.110 32.500 0.106 0.000 0.726 39 K HN 0.050 8.300 8.250 -0.000 0.000 0.442 40 A N 1.544 124.385 122.820 0.035 0.000 1.906 40 A HA -0.320 4.001 4.320 0.001 0.000 0.222 40 A C 1.837 179.426 177.584 0.007 0.000 1.282 40 A CA 2.689 54.734 52.037 0.013 0.000 0.675 40 A CB -1.418 17.580 19.000 -0.003 0.000 0.838 40 A HN 0.599 8.749 8.150 -0.000 0.000 0.469 41 D N -1.003 119.401 120.400 0.005 0.000 2.363 41 D HA 0.107 4.748 4.640 0.001 0.000 0.220 41 D C 0.343 176.618 176.300 -0.043 0.000 0.994 41 D CA 0.592 54.579 54.000 -0.020 0.000 0.890 41 D CB -0.156 40.628 40.800 -0.026 0.000 0.906 41 D HN 0.566 8.936 8.370 -0.000 0.000 0.530 42 K N -0.884 119.503 120.400 -0.022 0.000 3.035 42 K HA -0.208 4.113 4.320 0.001 0.000 0.262 42 K C 0.837 177.362 176.600 -0.125 0.000 1.024 42 K CA 0.670 56.937 56.287 -0.033 0.000 0.748 42 K CB -1.860 30.628 32.500 -0.021 0.000 1.247 42 K HN 0.129 8.379 8.250 -0.000 0.000 0.482 43 T N -0.591 113.824 114.554 -0.231 0.000 2.759 43 T HA -0.169 4.182 4.350 0.001 0.000 0.269 43 T C 0.422 174.660 174.700 -0.769 0.000 1.042 43 T CA 1.446 63.195 62.100 -0.584 0.000 1.140 43 T CB -0.157 68.160 68.868 -0.918 0.000 0.864 43 T HN 0.327 8.566 8.240 -0.000 0.000 0.455 44 Y N 1.115 121.263 120.300 -0.253 0.000 2.705 44 Y HA 0.373 4.924 4.550 0.001 0.000 0.355 44 Y C -2.670 173.186 175.900 -0.074 0.000 1.039 44 Y CA -3.862 54.046 58.100 -0.321 0.000 1.233 44 Y CB 0.340 38.244 38.460 -0.928 0.000 1.103 44 Y HN -0.001 8.279 8.280 -0.000 0.000 0.624 45 P HA 0.018 4.438 4.420 -0.000 0.000 0.265 45 P C 0.667 178.104 177.300 0.228 0.000 1.187 45 P CA 0.256 63.442 63.100 0.144 0.000 0.766 45 P CB 0.797 32.551 31.700 0.090 0.000 0.820 46 T N -3.253 111.426 114.554 0.208 0.000 3.275 46 T HA 0.103 4.454 4.350 0.001 0.000 0.265 46 T C 1.174 175.937 174.700 0.105 0.000 0.978 46 T CA 0.083 62.298 62.100 0.192 0.000 0.923 46 T CB -1.093 67.897 68.868 0.202 0.000 1.126 46 T HN 0.428 8.668 8.240 -0.000 0.000 0.538 47 T N -0.482 114.127 114.554 0.090 0.000 2.746 47 T HA -0.130 4.221 4.350 0.001 0.000 0.267 47 T C 1.889 176.595 174.700 0.010 0.000 1.039 47 T CA 1.205 63.333 62.100 0.047 0.000 1.142 47 T CB -0.901 67.996 68.868 0.048 0.000 0.866 47 T HN 0.248 8.488 8.240 -0.000 0.000 0.444 48 V N 2.420 122.348 119.914 0.024 0.000 2.295 48 V HA -0.051 4.070 4.120 0.001 0.000 0.246 48 V C 3.315 179.284 176.094 -0.209 0.000 1.049 48 V CA 1.635 63.919 62.300 -0.027 0.000 1.024 48 V CB -1.520 30.347 31.823 0.074 0.000 0.648 48 V HN 0.700 8.890 8.190 -0.000 0.000 0.447 49 A N -0.510 122.198 122.820 -0.187 0.000 1.972 49 A HA -0.237 4.084 4.320 0.001 0.000 0.219 49 A C 2.151 179.592 177.584 -0.239 0.000 1.169 49 A CA 1.861 53.694 52.037 -0.339 0.000 0.635 49 A CB -0.440 18.554 19.000 -0.010 0.000 0.810 49 A HN 0.623 8.773 8.150 -0.000 0.000 0.446 50 E N -0.001 120.130 120.200 -0.114 0.000 2.358 50 E HA -0.010 4.340 4.350 0.001 0.000 0.195 50 E C 0.037 176.590 176.600 -0.079 0.000 1.010 50 E CA -0.042 56.318 56.400 -0.067 0.000 0.856 50 E CB 0.025 29.716 29.700 -0.015 0.000 0.795 50 E HN 0.483 8.843 8.360 -0.000 0.000 0.504 51 K N 1.457 121.793 120.400 -0.106 0.000 2.530 51 K HA -0.080 4.240 4.320 0.001 0.000 0.280 51 K C -1.933 174.616 176.600 -0.086 0.000 1.004 51 K CA -0.754 55.480 56.287 -0.087 0.000 1.071 51 K CB 0.276 32.719 32.500 -0.096 0.000 0.876 51 K HN -0.095 8.155 8.250 -0.000 0.000 0.487 52 P HA -0.249 4.171 4.420 -0.000 0.000 0.218 52 P C 0.859 178.134 177.300 -0.042 0.000 1.146 52 P CA 1.333 64.410 63.100 -0.039 0.000 0.820 52 P CB 0.187 31.873 31.700 -0.022 0.000 0.778 53 K N -1.070 119.303 120.400 -0.045 0.000 2.365 53 K HA -0.058 4.262 4.320 0.001 0.000 0.199 53 K C 1.012 177.579 176.600 -0.056 0.000 1.045 53 K CA 0.956 57.221 56.287 -0.036 0.000 0.962 53 K CB -0.065 32.423 32.500 -0.019 0.000 0.759 53 K HN 0.073 8.323 8.250 -0.000 0.000 0.469 54 N N 0.263 118.887 118.700 -0.127 0.000 2.273 54 N HA -0.027 4.713 4.740 0.001 0.000 0.192 54 N C 1.303 176.702 175.510 -0.185 0.000 1.132 54 N CA 0.135 53.047 53.050 -0.228 0.000 0.887 54 N CB 0.221 38.336 38.487 -0.619 0.000 1.048 54 N HN 0.062 8.442 8.380 -0.000 0.000 0.490 55 I N 2.112 122.608 120.570 -0.124 0.000 2.454 55 I HA -0.152 4.019 4.170 0.001 0.000 0.254 55 I C 1.495 177.589 176.117 -0.038 0.000 1.156 55 I CA 1.378 62.630 61.300 -0.081 0.000 1.433 55 I CB -0.016 37.951 38.000 -0.055 0.000 1.082 55 I HN -0.033 8.177 8.210 -0.000 0.000 0.432 56 K N -0.092 120.293 120.400 -0.026 0.000 2.444 56 K HA 0.031 4.351 4.320 0.001 0.000 0.193 56 K C 1.430 178.029 176.600 -0.003 0.000 1.024 56 K CA 0.142 56.421 56.287 -0.014 0.000 1.077 56 K CB 0.110 32.603 32.500 -0.011 0.000 0.833 56 K HN 0.319 8.569 8.250 -0.000 0.000 0.517 57 K N 0.877 121.293 120.400 0.027 0.000 2.487 57 K HA 0.053 4.373 4.320 0.001 0.000 0.192 57 K C 0.103 176.741 176.600 0.063 0.000 1.027 57 K CA 0.228 56.557 56.287 0.070 0.000 1.054 57 K CB 0.145 32.752 32.500 0.179 0.000 0.824 57 K HN 0.091 8.341 8.250 -0.000 0.000 0.510 58 N N 1.203 119.925 118.700 0.036 0.000 2.419 58 N HA 0.073 4.814 4.740 0.001 0.000 0.277 58 N C 0.328 175.790 175.510 -0.081 0.000 1.006 58 N CA -0.086 52.969 53.050 0.010 0.000 0.923 58 N CB 1.771 40.283 38.487 0.042 0.000 1.140 58 N HN 0.055 8.435 8.380 -0.000 0.000 0.488 59 R N 2.079 122.468 120.500 -0.186 0.000 2.090 59 R HA -0.018 4.323 4.340 0.001 0.000 0.228 59 R C -0.392 175.546 176.300 -0.603 0.000 1.110 59 R CA 1.275 57.113 56.100 -0.436 0.000 0.973 59 R CB 0.204 30.150 30.300 -0.590 0.000 0.869 59 R HN 0.492 8.762 8.270 -0.000 0.000 0.440 60 Y N 0.300 120.599 120.300 -0.002 0.000 2.391 60 Y HA 0.219 4.769 4.550 0.001 0.000 0.341 60 Y C 0.621 176.527 175.900 0.009 0.000 0.965 60 Y CA -1.330 56.773 58.100 0.005 0.000 1.067 60 Y CB 1.763 40.227 38.460 0.007 0.000 1.199 60 Y HN -0.201 8.079 8.280 -0.000 0.000 0.450 61 K N 1.921 122.422 120.400 0.168 0.000 2.211 61 K HA -0.138 4.182 4.320 0.001 0.000 0.203 61 K C 0.445 177.098 176.600 0.088 0.000 1.050 61 K CA 2.101 58.445 56.287 0.095 0.000 0.945 61 K CB -0.063 32.477 32.500 0.068 0.000 0.732 61 K HN 0.916 9.166 8.250 -0.000 0.000 0.451 62 D N 0.496 120.955 120.400 0.099 0.000 2.340 62 D HA -0.039 4.601 4.640 0.001 0.000 0.220 62 D C 0.607 176.948 176.300 0.068 0.000 1.039 62 D CA -0.102 53.942 54.000 0.073 0.000 0.866 62 D CB 0.108 40.941 40.800 0.056 0.000 0.913 62 D HN 0.120 8.490 8.370 -0.000 0.000 0.523 63 I N 2.036 122.660 120.570 0.090 0.000 2.395 63 I HA 0.253 4.424 4.170 0.001 0.000 0.282 63 I C -0.303 175.840 176.117 0.043 0.000 1.107 63 I CA -0.317 61.022 61.300 0.063 0.000 1.210 63 I CB 0.582 38.648 38.000 0.110 0.000 1.456 63 I HN -0.094 8.116 8.210 -0.000 0.000 0.504 64 L N 7.349 128.580 121.223 0.013 0.000 2.319 64 L HA 0.442 4.782 4.340 0.001 0.000 0.281 64 L C -2.174 174.674 176.870 -0.037 0.000 1.005 64 L CA -1.732 53.126 54.840 0.029 0.000 0.828 64 L CB 2.409 44.505 42.059 0.061 0.000 1.227 64 L HN 0.159 8.389 8.230 -0.000 0.000 0.415 65 P HA -0.014 4.406 4.420 -0.000 0.000 0.268 65 P C -0.930 176.359 177.300 -0.018 0.000 1.204 65 P CA -0.081 62.949 63.100 -0.116 0.000 0.768 65 P CB 0.186 31.847 31.700 -0.065 0.000 0.842 66 Y N 1.352 121.652 120.300 0.000 0.000 2.712 66 Y HA -0.071 4.480 4.550 0.001 0.000 0.333 66 Y C 1.911 177.826 175.900 0.024 0.000 1.225 66 Y CA 0.344 58.471 58.100 0.045 0.000 1.499 66 Y CB -0.651 37.831 38.460 0.036 0.000 1.288 66 Y HN 0.400 8.680 8.280 -0.000 0.000 0.575 67 D N 1.589 122.158 120.400 0.282 0.000 2.103 67 D HA -0.278 4.362 4.640 0.001 0.000 0.190 67 D C 1.973 178.378 176.300 0.174 0.000 0.997 67 D CA 2.265 56.389 54.000 0.206 0.000 0.833 67 D CB -0.604 40.321 40.800 0.209 0.000 0.961 67 D HN 0.847 9.217 8.370 -0.000 0.000 0.447 68 Y N 0.488 120.869 120.300 0.136 0.000 2.497 68 Y HA -0.006 4.545 4.550 0.001 0.000 0.292 68 Y C 1.772 177.739 175.900 0.111 0.000 1.137 68 Y CA 1.293 59.456 58.100 0.106 0.000 1.285 68 Y CB -0.264 38.252 38.460 0.092 0.000 0.991 68 Y HN -0.036 8.244 8.280 -0.000 0.000 0.556 69 S N 0.807 116.132 115.700 -0.626 0.000 2.603 69 S HA 0.197 4.667 4.470 0.001 0.000 0.232 69 S C 0.635 175.123 174.600 -0.186 0.000 1.016 69 S CA -0.776 57.105 58.200 -0.532 0.000 0.976 69 S CB -0.337 62.340 63.200 -0.873 0.000 0.921 69 S HN 0.553 8.863 8.310 -0.000 0.000 0.516 70 R N 1.100 121.518 120.500 -0.136 0.000 2.679 70 R HA 0.363 4.704 4.340 0.001 0.000 0.268 70 R C -0.797 175.380 176.300 -0.204 0.000 1.044 70 R CA -0.423 55.582 56.100 -0.158 0.000 1.105 70 R CB 0.213 30.479 30.300 -0.057 0.000 0.989 70 R HN 0.055 8.325 8.270 -0.000 0.000 0.447 71 V N 3.343 122.984 119.914 -0.455 0.000 2.387 71 V HA 0.074 4.195 4.120 0.001 0.000 0.260 71 V C 0.548 176.498 176.094 -0.241 0.000 1.054 71 V CA -0.018 61.926 62.300 -0.593 0.000 0.967 71 V CB 0.445 31.690 31.823 -0.963 0.000 1.036 71 V HN 0.779 8.969 8.190 -0.000 0.000 0.481 72 E N 4.318 124.512 120.200 -0.011 0.000 2.283 72 E HA 0.477 4.828 4.350 0.001 0.000 0.278 72 E C -0.945 175.733 176.600 0.131 0.000 1.027 72 E CA -0.493 55.949 56.400 0.068 0.000 0.843 72 E CB 1.156 30.931 29.700 0.124 0.000 1.062 72 E HN 0.560 8.920 8.360 -0.000 0.000 0.401 73 L N 2.523 123.792 121.223 0.076 0.000 2.317 73 L HA 0.279 4.620 4.340 0.001 0.000 0.281 73 L C 0.803 177.718 176.870 0.076 0.000 1.024 73 L CA -0.221 54.669 54.840 0.083 0.000 0.810 73 L CB 1.594 43.673 42.059 0.035 0.000 1.240 73 L HN 0.593 8.823 8.230 -0.000 0.000 0.427 74 S N 1.429 117.169 115.700 0.067 0.000 2.733 74 S HA 0.109 4.579 4.470 0.001 0.000 0.270 74 S C -0.121 174.516 174.600 0.062 0.000 1.062 74 S CA -0.374 57.862 58.200 0.060 0.000 1.256 74 S CB 0.227 63.458 63.200 0.053 0.000 1.187 74 S HN 0.354 8.664 8.310 -0.000 0.000 0.666 75 L N 3.232 124.496 121.223 0.067 0.000 2.433 75 L HA 0.552 4.893 4.340 0.001 0.000 0.275 75 L C -0.816 176.109 176.870 0.092 0.000 1.128 75 L CA -0.175 54.721 54.840 0.093 0.000 0.875 75 L CB -0.208 41.917 42.059 0.109 0.000 1.171 75 L HN 0.331 8.561 8.230 -0.000 0.000 0.463 76 I N 4.492 125.121 120.570 0.097 0.000 2.377 76 I HA 0.312 4.482 4.170 0.001 0.000 0.293 76 I C 1.094 177.269 176.117 0.097 0.000 0.987 76 I CA 0.179 61.531 61.300 0.087 0.000 1.185 76 I CB 1.768 39.809 38.000 0.068 0.000 1.341 76 I HN 0.792 9.002 8.210 -0.000 0.000 0.455 77 T N 0.075 114.681 114.554 0.086 0.000 2.975 77 T HA 0.313 4.663 4.350 0.001 0.000 0.261 77 T C 0.276 175.009 174.700 0.055 0.000 0.984 77 T CA 0.318 62.465 62.100 0.078 0.000 0.911 77 T CB 0.140 69.049 68.868 0.070 0.000 1.127 77 T HN 0.607 8.847 8.240 -0.000 0.000 0.514 78 S N -0.339 115.394 115.700 0.054 0.000 2.587 78 S HA 0.396 4.867 4.470 0.001 0.000 0.269 78 S C -0.595 174.030 174.600 0.041 0.000 1.154 78 S CA -0.593 57.632 58.200 0.041 0.000 0.824 78 S CB 1.060 64.285 63.200 0.041 0.000 1.118 78 S HN -0.093 8.217 8.310 -0.000 0.000 0.462 79 D N 0.838 121.257 120.400 0.033 0.000 2.280 79 D HA -0.097 4.544 4.640 0.001 0.000 0.206 79 D C 1.099 177.420 176.300 0.035 0.000 0.988 79 D CA 1.603 55.621 54.000 0.031 0.000 0.886 79 D CB -0.066 40.748 40.800 0.024 0.000 0.914 79 D HN 0.681 9.051 8.370 -0.000 0.000 0.473 80 E N 0.157 120.381 120.200 0.040 0.000 2.474 80 E HA 0.022 4.373 4.350 0.001 0.000 0.194 80 E C -0.313 176.318 176.600 0.052 0.000 1.041 80 E CA -0.084 56.342 56.400 0.042 0.000 0.874 80 E CB 0.242 29.967 29.700 0.041 0.000 0.914 80 E HN 0.127 8.487 8.360 -0.000 0.000 0.498 81 D N 0.558 120.992 120.400 0.057 0.000 2.434 81 D HA 0.059 4.699 4.640 0.001 0.000 0.252 81 D C -0.220 176.117 176.300 0.061 0.000 1.185 81 D CA 0.392 54.431 54.000 0.064 0.000 0.886 81 D CB 0.991 41.834 40.800 0.071 0.000 1.148 81 D HN -0.102 8.268 8.370 -0.000 0.000 0.483 82 S N 0.084 115.824 115.700 0.066 0.000 2.751 82 S HA 0.438 4.909 4.470 0.001 0.000 0.310 82 S C 0.986 175.633 174.600 0.078 0.000 1.128 82 S CA -0.447 57.796 58.200 0.072 0.000 0.931 82 S CB 1.225 64.470 63.200 0.074 0.000 1.177 82 S HN 0.347 8.657 8.310 -0.000 0.000 0.530 83 S N 0.275 116.031 115.700 0.093 0.000 2.535 83 S HA 0.202 4.672 4.470 0.001 0.000 0.214 83 S C 0.017 174.669 174.600 0.087 0.000 0.980 83 S CA -0.191 58.060 58.200 0.085 0.000 0.907 83 S CB -0.311 62.943 63.200 0.089 0.000 0.790 83 S HN 0.635 8.945 8.310 -0.000 0.000 0.510 84 Y N 1.706 122.007 120.300 0.003 0.000 2.336 84 Y HA 0.687 5.238 4.550 0.001 0.000 0.335 84 Y C -0.463 175.414 175.900 -0.038 0.000 1.046 84 Y CA -1.247 56.843 58.100 -0.016 0.000 1.198 84 Y CB 0.623 39.076 38.460 -0.011 0.000 1.182 84 Y HN 0.287 8.567 8.280 -0.000 0.000 0.502 85 I N 5.842 125.803 120.570 -1.014 0.000 2.769 85 I HA 0.271 4.442 4.170 0.001 0.000 0.298 85 I C -1.058 174.439 176.117 -1.035 0.000 1.128 85 I CA -1.047 59.752 61.300 -0.834 0.000 1.031 85 I CB 1.726 39.474 38.000 -0.420 0.000 1.235 85 I HN 0.624 8.834 8.210 -0.000 0.000 0.423 86 N N 5.800 124.167 118.700 -0.555 0.000 2.549 86 N HA 0.470 5.211 4.740 0.001 0.000 0.267 86 N C -1.263 174.080 175.510 -0.278 0.000 1.182 86 N CA 0.260 53.131 53.050 -0.299 0.000 1.019 86 N CB 0.203 38.640 38.487 -0.083 0.000 1.380 86 N HN 0.663 9.043 8.380 -0.000 0.000 0.505 87 A N 3.142 125.765 122.820 -0.328 0.000 2.582 87 A HA 0.532 4.853 4.320 0.001 0.000 0.297 87 A C -1.381 175.970 177.584 -0.387 0.000 1.059 87 A CA -0.928 50.896 52.037 -0.354 0.000 0.705 87 A CB 0.897 19.641 19.000 -0.428 0.000 1.279 87 A HN 0.611 8.761 8.150 -0.000 0.000 0.404 88 N N 0.180 118.659 118.700 -0.369 0.000 2.225 88 N HA 0.699 5.440 4.740 0.001 0.000 0.298 88 N C -1.130 174.166 175.510 -0.356 0.000 1.076 88 N CA -0.434 52.403 53.050 -0.354 0.000 0.792 88 N CB 1.196 39.533 38.487 -0.250 0.000 1.498 88 N HN 0.463 8.843 8.380 -0.000 0.000 0.474 89 F N 1.146 120.980 119.950 -0.194 0.000 2.471 89 F HA 0.346 4.874 4.527 0.001 0.000 0.353 89 F C 0.459 176.210 175.800 -0.081 0.000 1.113 89 F CA -0.084 57.831 58.000 -0.142 0.000 1.262 89 F CB 0.319 39.230 39.000 -0.149 0.000 1.146 89 F HN 0.201 8.501 8.300 -0.000 0.000 0.578 90 I N 2.606 123.310 120.570 0.224 0.000 2.465 90 I HA 0.249 4.420 4.170 0.001 0.000 0.291 90 I C -0.455 175.840 176.117 0.296 0.000 1.014 90 I CA -0.959 60.472 61.300 0.219 0.000 1.093 90 I CB 1.750 39.856 38.000 0.176 0.000 1.267 90 I HN 0.450 8.660 8.210 -0.000 0.000 0.431 91 K N 3.598 124.131 120.400 0.222 0.000 2.448 91 K HA 0.325 4.645 4.320 0.001 0.000 0.278 91 K C 0.501 177.332 176.600 0.386 0.000 1.009 91 K CA -0.040 56.376 56.287 0.215 0.000 0.995 91 K CB 0.562 33.165 32.500 0.173 0.000 0.917 91 K HN 0.797 9.047 8.250 -0.000 0.000 0.481 92 G N 0.665 109.593 108.800 0.214 0.000 2.532 92 G HA2 0.160 4.121 3.960 0.001 0.000 0.291 92 G HA3 0.160 4.121 3.960 0.001 0.000 0.291 92 G C 1.019 175.894 174.900 -0.041 0.000 1.349 92 G CA -0.800 44.383 45.100 0.139 0.000 1.038 92 G HN 0.374 8.664 8.290 -0.000 0.000 0.518 93 V N -0.699 118.878 119.914 -0.563 0.000 2.407 93 V HA -0.146 3.975 4.120 0.001 0.000 0.248 93 V C 1.878 177.623 176.094 -0.582 0.000 1.055 93 V CA 1.569 63.375 62.300 -0.824 0.000 1.049 93 V CB -0.706 30.397 31.823 -1.199 0.000 0.662 93 V HN 0.616 8.806 8.190 -0.000 0.000 0.455 94 Y N -0.395 119.840 120.300 -0.109 0.000 2.444 94 Y HA 0.584 5.135 4.550 0.001 0.000 0.249 94 Y C 1.000 176.873 175.900 -0.046 0.000 1.134 94 Y CA 0.157 58.215 58.100 -0.071 0.000 1.261 94 Y CB 0.722 39.127 38.460 -0.092 0.000 1.143 94 Y HN 0.271 8.551 8.280 -0.000 0.000 0.523 95 G N -0.453 108.392 108.800 0.075 0.000 2.349 95 G HA2 0.373 4.333 3.960 0.001 0.000 0.294 95 G HA3 0.373 4.333 3.960 0.001 0.000 0.294 95 G C -3.243 171.662 174.900 0.007 0.000 1.380 95 G CA -1.116 44.007 45.100 0.037 0.000 0.811 95 G HN -0.296 7.994 8.290 -0.000 0.000 0.519 96 P HA 0.356 4.776 4.420 -0.000 0.000 0.281 96 P C -0.442 176.778 177.300 -0.135 0.000 1.281 96 P CA -0.125 62.941 63.100 -0.057 0.000 0.811 96 P CB 0.942 32.593 31.700 -0.081 0.000 1.154 97 K N -1.505 118.797 120.400 -0.164 0.000 3.160 97 K HA -0.215 4.106 4.320 0.001 0.000 0.280 97 K C 1.175 177.714 176.600 -0.102 0.000 1.154 97 K CA 0.607 56.779 56.287 -0.192 0.000 0.822 97 K CB -2.389 29.799 32.500 -0.520 0.000 1.239 97 K HN 0.538 8.787 8.250 -0.000 0.000 0.489 98 A N 0.058 122.785 122.820 -0.156 0.000 1.902 98 A HA -0.080 4.241 4.320 0.001 0.000 0.217 98 A C 0.559 177.786 177.584 -0.594 0.000 1.181 98 A CA 1.217 52.996 52.037 -0.431 0.000 0.623 98 A CB -0.205 18.413 19.000 -0.636 0.000 0.818 98 A HN 0.372 8.522 8.150 -0.000 0.000 0.443 99 Y N -1.439 118.893 120.300 0.053 0.000 2.409 99 Y HA 0.636 5.187 4.550 0.001 0.000 0.343 99 Y C -0.304 175.602 175.900 0.009 0.000 0.973 99 Y CA -1.064 57.048 58.100 0.020 0.000 1.064 99 Y CB 1.158 39.626 38.460 0.013 0.000 1.207 99 Y HN -0.003 8.277 8.280 -0.000 0.000 0.452 100 I N 3.244 123.854 120.570 0.067 0.000 2.312 100 I HA 0.530 4.700 4.170 0.001 0.000 0.290 100 I C -0.185 175.878 176.117 -0.089 0.000 1.008 100 I CA -0.597 60.629 61.300 -0.123 0.000 1.226 100 I CB 0.998 38.824 38.000 -0.291 0.000 1.371 100 I HN 0.769 8.979 8.210 -0.000 0.000 0.468 101 A N 5.133 127.880 122.820 -0.122 0.000 2.253 101 A HA 0.689 5.010 4.320 0.001 0.000 0.316 101 A C -0.162 177.333 177.584 -0.148 0.000 1.327 101 A CA -0.279 51.693 52.037 -0.107 0.000 0.917 101 A CB 0.953 19.892 19.000 -0.102 0.000 1.162 101 A HN 0.627 8.777 8.150 -0.000 0.000 0.535 102 T N 0.963 115.456 114.554 -0.101 0.000 2.864 102 T HA 0.543 4.894 4.350 0.001 0.000 0.289 102 T C -0.225 174.443 174.700 -0.054 0.000 1.082 102 T CA -0.490 61.538 62.100 -0.121 0.000 1.009 102 T CB 1.208 69.974 68.868 -0.170 0.000 1.234 102 T HN 0.867 9.107 8.240 -0.000 0.000 0.526 103 Q N 0.640 120.388 119.800 -0.087 0.000 2.249 103 Q HA 0.646 4.987 4.340 0.001 0.000 0.226 103 Q C 0.409 176.325 176.000 -0.139 0.000 0.983 103 Q CA -0.980 54.787 55.803 -0.061 0.000 0.930 103 Q CB 0.389 29.082 28.738 -0.074 0.000 1.193 103 Q HN 0.730 9.000 8.270 -0.000 0.000 0.508 104 G N 1.626 110.369 108.800 -0.094 0.000 2.378 104 G HA2 0.349 4.309 3.960 0.001 0.000 0.255 104 G HA3 0.349 4.309 3.960 0.001 0.000 0.255 104 G C -2.390 172.354 174.900 -0.261 0.000 1.270 104 G CA -1.098 43.879 45.100 -0.204 0.000 0.876 104 G HN 0.482 8.772 8.290 -0.000 0.000 0.521 105 P HA 0.073 4.493 4.420 -0.000 0.000 0.266 105 P C 0.195 177.389 177.300 -0.177 0.000 1.195 105 P CA -0.032 62.890 63.100 -0.296 0.000 0.768 105 P CB 0.819 32.258 31.700 -0.435 0.000 0.838 106 L N 1.411 122.553 121.223 -0.135 0.000 2.454 106 L HA 0.155 4.495 4.340 0.001 0.000 0.256 106 L C 1.881 178.718 176.870 -0.055 0.000 1.136 106 L CA -0.260 54.523 54.840 -0.096 0.000 0.804 106 L CB 0.214 42.221 42.059 -0.086 0.000 1.181 106 L HN 0.361 8.591 8.230 -0.000 0.000 0.469 107 S N -0.771 114.912 115.700 -0.029 0.000 2.387 107 S HA -0.213 4.258 4.470 0.001 0.000 0.230 107 S C 1.662 176.282 174.600 0.034 0.000 1.035 107 S CA 1.973 60.180 58.200 0.011 0.000 1.014 107 S CB -0.603 62.606 63.200 0.016 0.000 0.836 107 S HN 0.926 9.236 8.310 -0.000 0.000 0.466 108 T N -0.239 114.326 114.554 0.018 0.000 3.085 108 T HA 0.025 4.375 4.350 0.001 0.000 0.263 108 T C 1.487 176.206 174.700 0.033 0.000 1.127 108 T CA 1.220 63.339 62.100 0.032 0.000 1.103 108 T CB -0.432 68.449 68.868 0.022 0.000 0.921 108 T HN 0.573 8.813 8.240 -0.000 0.000 0.510 109 T N -1.214 113.344 114.554 0.008 0.000 3.084 109 T HA 0.404 4.755 4.350 0.001 0.000 0.270 109 T C 1.617 176.305 174.700 -0.020 0.000 1.008 109 T CA -0.423 61.672 62.100 -0.007 0.000 0.900 109 T CB -0.533 68.309 68.868 -0.043 0.000 1.084 109 T HN 0.281 8.521 8.240 -0.000 0.000 0.538 110 L N 0.260 121.487 121.223 0.006 0.000 2.013 110 L HA -0.058 4.282 4.340 0.001 0.000 0.212 110 L C 2.464 179.399 176.870 0.108 0.000 1.073 110 L CA 1.344 56.185 54.840 0.002 0.000 0.753 110 L CB -0.572 41.569 42.059 0.137 0.000 0.890 110 L HN 0.318 8.548 8.230 -0.000 0.000 0.432 111 L N -0.231 121.111 121.223 0.198 0.000 2.027 111 L HA -0.199 4.141 4.340 0.001 0.000 0.206 111 L C 2.145 179.090 176.870 0.126 0.000 1.074 111 L CA 1.839 56.831 54.840 0.253 0.000 0.745 111 L CB -0.894 41.320 42.059 0.258 0.000 0.898 111 L HN 0.231 8.461 8.230 -0.000 0.000 0.433 112 D N -0.504 119.931 120.400 0.058 0.000 2.157 112 D HA -0.325 4.316 4.640 0.001 0.000 0.191 112 D C 2.076 178.305 176.300 -0.118 0.000 1.004 112 D CA 2.085 56.072 54.000 -0.022 0.000 0.854 112 D CB -0.568 40.209 40.800 -0.039 0.000 0.936 112 D HN 0.459 8.829 8.370 -0.000 0.000 0.446 113 F N 0.057 119.816 119.950 -0.319 0.000 2.069 113 F HA -0.209 4.318 4.527 0.001 0.000 0.298 113 F C 2.257 177.675 175.800 -0.636 0.000 1.113 113 F CA 1.670 59.340 58.000 -0.551 0.000 1.214 113 F CB -0.521 38.023 39.000 -0.759 0.000 0.978 113 F HN -0.043 8.257 8.300 -0.000 0.000 0.474 114 W N 0.790 121.906 121.300 -0.306 0.000 2.363 114 W HA -0.093 4.568 4.660 0.001 0.000 0.296 114 W C 2.653 178.644 176.519 -0.880 0.000 1.212 114 W CA 1.382 58.348 57.345 -0.632 0.000 1.260 114 W CB -0.473 28.564 29.460 -0.706 0.000 1.131 114 W HN -0.129 8.051 8.180 -0.000 0.000 0.530 115 R N -0.206 120.034 120.500 -0.433 0.000 2.113 115 R HA -0.266 4.075 4.340 0.001 0.000 0.244 115 R C 2.233 178.469 176.300 -0.105 0.000 1.142 115 R CA 2.130 58.108 56.100 -0.203 0.000 0.953 115 R CB -0.922 29.371 30.300 -0.012 0.000 0.860 115 R HN 0.279 8.549 8.270 -0.000 0.000 0.438 116 M N 0.535 120.023 119.600 -0.187 0.000 2.065 116 M HA -0.211 4.269 4.480 0.001 0.000 0.259 116 M C 1.972 178.188 176.300 -0.139 0.000 1.071 116 M CA 1.737 56.951 55.300 -0.143 0.000 1.109 116 M CB -0.077 32.317 32.600 -0.343 0.000 1.313 116 M HN 0.073 8.363 8.290 -0.000 0.000 0.408 117 I N -0.019 120.307 120.570 -0.406 0.000 2.087 117 I HA -0.388 3.782 4.170 0.001 0.000 0.240 117 I C 2.401 178.497 176.117 -0.035 0.000 1.054 117 I CA 1.879 62.995 61.300 -0.307 0.000 1.311 117 I CB -1.915 35.794 38.000 -0.485 0.000 1.024 117 I HN 0.698 8.908 8.210 -0.000 0.000 0.402 118 W N 1.893 123.101 121.300 -0.152 0.000 2.355 118 W HA -0.253 4.407 4.660 0.001 0.000 0.309 118 W C 2.569 179.065 176.519 -0.038 0.000 1.206 118 W CA 2.024 59.340 57.345 -0.048 0.000 1.284 118 W CB -0.238 29.186 29.460 -0.061 0.000 1.145 118 W HN 0.352 8.532 8.180 -0.000 0.000 0.502 119 E N -0.619 119.664 120.200 0.138 0.000 2.085 119 E HA -0.276 4.075 4.350 0.001 0.000 0.194 119 E C 1.527 177.944 176.600 -0.304 0.000 0.994 119 E CA 1.754 58.113 56.400 -0.068 0.000 0.801 119 E CB -0.724 28.896 29.700 -0.133 0.000 0.743 119 E HN 0.309 8.669 8.360 -0.000 0.000 0.453 120 Y N -0.022 120.249 120.300 -0.049 0.000 2.468 120 Y HA 0.232 4.782 4.550 0.001 0.000 0.268 120 Y C 0.602 176.449 175.900 -0.087 0.000 1.177 120 Y CA 0.345 58.418 58.100 -0.044 0.000 1.265 120 Y CB 0.636 39.096 38.460 0.001 0.000 1.103 120 Y HN -0.111 8.169 8.280 -0.000 0.000 0.522 121 S N -0.394 115.257 115.700 -0.081 0.000 3.641 121 S HA -0.154 4.316 4.470 0.001 0.000 0.346 121 S C 0.189 174.742 174.600 -0.078 0.000 1.074 121 S CA 0.221 58.326 58.200 -0.157 0.000 1.026 121 S CB -2.143 60.967 63.200 -0.149 0.000 0.908 121 S HN 0.162 8.472 8.310 -0.000 0.000 0.479 122 V N 1.377 121.264 119.914 -0.045 0.000 2.617 122 V HA 0.014 4.135 4.120 0.001 0.000 0.304 122 V C 1.327 177.421 176.094 -0.001 0.000 1.040 122 V CA 0.790 63.075 62.300 -0.026 0.000 1.149 122 V CB 1.063 32.844 31.823 -0.071 0.000 0.914 122 V HN 0.496 8.686 8.190 -0.000 0.000 0.487 123 L N 6.059 127.308 121.223 0.043 0.000 2.316 123 L HA 0.352 4.693 4.340 0.001 0.000 0.207 123 L C 0.565 177.546 176.870 0.184 0.000 1.070 123 L CA 1.346 56.255 54.840 0.114 0.000 0.820 123 L CB 0.350 42.503 42.059 0.157 0.000 0.992 123 L HN 0.447 8.677 8.230 -0.000 0.000 0.466 124 I N 1.205 121.867 120.570 0.153 0.000 2.406 124 I HA 0.322 4.493 4.170 0.001 0.000 0.290 124 I C -0.740 175.456 176.117 0.133 0.000 0.999 124 I CA -0.387 61.029 61.300 0.193 0.000 1.124 124 I CB 1.525 39.593 38.000 0.114 0.000 1.289 124 I HN -0.069 8.141 8.210 -0.000 0.000 0.441 125 I N 6.177 126.872 120.570 0.209 0.000 2.447 125 I HA 0.362 4.532 4.170 0.001 0.000 0.287 125 I C -0.531 175.710 176.117 0.206 0.000 1.023 125 I CA -0.836 60.578 61.300 0.189 0.000 1.083 125 I CB 2.321 40.472 38.000 0.252 0.000 1.245 125 I HN 0.126 8.336 8.210 -0.000 0.000 0.434 126 V N 6.824 126.793 119.914 0.092 0.000 2.328 126 V HA 0.341 4.461 4.120 0.001 0.000 0.278 126 V C 0.079 176.067 176.094 -0.178 0.000 1.021 126 V CA -0.409 61.898 62.300 0.012 0.000 0.838 126 V CB 1.449 33.244 31.823 -0.047 0.000 0.999 126 V HN 0.730 8.920 8.190 -0.000 0.000 0.447 127 M N 4.981 124.445 119.600 -0.227 0.000 2.111 127 M HA 0.557 5.037 4.480 0.001 0.000 0.351 127 M C 0.337 176.512 176.300 -0.208 0.000 1.214 127 M CA -0.436 54.542 55.300 -0.538 0.000 1.120 127 M CB 0.688 32.939 32.600 -0.581 0.000 1.443 127 M HN 0.704 8.994 8.290 -0.000 0.000 0.429 128 A N 4.706 127.355 122.820 -0.286 0.000 3.095 128 A HA 0.549 4.869 4.320 0.001 0.000 0.301 128 A C -0.756 176.667 177.584 -0.269 0.000 1.432 128 A CA -0.400 51.505 52.037 -0.220 0.000 1.140 128 A CB -0.128 18.635 19.000 -0.394 0.000 1.174 128 A HN 0.901 9.051 8.150 -0.000 0.000 0.546 129 C N 1.252 120.514 119.300 -0.062 0.000 3.099 129 C HA 0.546 5.007 4.460 0.001 0.000 0.357 129 C C -1.204 173.891 174.990 0.175 0.000 1.171 129 C CA -0.703 58.299 59.018 -0.027 0.000 1.129 129 C CB 0.667 28.360 27.740 -0.078 0.000 1.420 129 C HN 0.740 8.970 8.230 -0.000 0.000 0.510 130 M N 3.003 122.700 119.600 0.162 0.000 2.578 130 M HA 0.394 4.875 4.480 0.001 0.000 0.321 130 M C 1.050 177.455 176.300 0.176 0.000 1.182 130 M CA -0.367 55.072 55.300 0.232 0.000 0.965 130 M CB 1.709 34.428 32.600 0.199 0.000 1.694 130 M HN 0.751 9.041 8.290 -0.000 0.000 0.461 131 E N 0.915 121.252 120.200 0.227 0.000 2.085 131 E HA -0.152 4.199 4.350 0.001 0.000 0.194 131 E C -0.652 175.841 176.600 -0.179 0.000 0.994 131 E CA 1.661 58.096 56.400 0.058 0.000 0.801 131 E CB 0.174 29.955 29.700 0.135 0.000 0.743 131 E HN 0.444 8.804 8.360 -0.000 0.000 0.453 132 Y N -0.700 119.672 120.300 0.120 0.000 2.499 132 Y HA 0.435 4.986 4.550 0.001 0.000 0.347 132 Y C -0.466 175.487 175.900 0.088 0.000 0.987 132 Y CA -0.845 57.310 58.100 0.091 0.000 1.044 132 Y CB 2.158 40.663 38.460 0.076 0.000 1.245 132 Y HN -0.224 8.056 8.280 -0.000 0.000 0.461 133 E N 3.290 123.622 120.200 0.220 0.000 2.343 133 E HA 0.331 4.681 4.350 0.001 0.000 0.288 133 E C -0.919 175.763 176.600 0.137 0.000 0.907 133 E CA -0.672 55.818 56.400 0.150 0.000 0.792 133 E CB 1.211 30.973 29.700 0.103 0.000 1.275 133 E HN 0.681 9.041 8.360 -0.000 0.000 0.402 134 M N 1.786 121.457 119.600 0.118 0.000 2.302 134 M HA -0.297 4.184 4.480 0.001 0.000 0.200 134 M C 0.830 177.193 176.300 0.106 0.000 0.366 134 M CA 1.500 56.860 55.300 0.100 0.000 0.440 134 M CB -2.284 30.370 32.600 0.091 0.000 1.475 134 M HN 1.079 9.369 8.290 -0.000 0.000 0.905 135 G N -0.902 107.973 108.800 0.124 0.000 2.320 135 G HA2 -0.266 3.695 3.960 0.001 0.000 0.242 135 G HA3 -0.266 3.695 3.960 0.001 0.000 0.242 135 G C 0.202 175.213 174.900 0.186 0.000 1.033 135 G CA 0.613 45.789 45.100 0.126 0.000 0.620 135 G HN 0.431 8.721 8.290 -0.000 0.000 0.517 136 K N 0.665 121.173 120.400 0.180 0.000 2.138 136 K HA 0.522 4.842 4.320 0.001 0.000 0.263 136 K C -0.074 176.601 176.600 0.124 0.000 0.965 136 K CA -1.019 55.362 56.287 0.157 0.000 0.868 136 K CB 1.911 34.482 32.500 0.117 0.000 1.083 136 K HN 0.124 8.374 8.250 -0.000 0.000 0.443 137 K N 2.407 122.822 120.400 0.026 0.000 2.412 137 K HA -0.022 4.298 4.320 0.001 0.000 0.284 137 K C 0.470 176.995 176.600 -0.123 0.000 1.046 137 K CA 0.473 56.622 56.287 -0.230 0.000 0.999 137 K CB 0.434 32.803 32.500 -0.218 0.000 0.941 137 K HN 0.292 8.542 8.250 -0.000 0.000 0.474 138 K N 1.976 122.300 120.400 -0.127 0.000 2.360 138 K HA 0.146 4.466 4.320 0.001 0.000 0.196 138 K C -0.329 176.249 176.600 -0.036 0.000 1.049 138 K CA 0.051 56.321 56.287 -0.030 0.000 1.049 138 K CB 0.057 32.573 32.500 0.027 0.000 0.881 138 K HN 0.564 8.814 8.250 -0.000 0.000 0.542 139 C N 1.745 121.005 119.300 -0.067 0.000 3.254 139 C HA 0.214 4.674 4.460 0.001 0.000 0.405 139 C C -1.423 173.546 174.990 -0.035 0.000 1.027 139 C CA -0.790 58.217 59.018 -0.017 0.000 1.192 139 C CB 0.932 28.736 27.740 0.106 0.000 1.567 139 C HN 0.256 8.486 8.230 -0.000 0.000 0.582 140 E N 2.412 122.581 120.200 -0.051 0.000 2.319 140 E HA 0.288 4.638 4.350 0.001 0.000 0.268 140 E C -0.151 176.382 176.600 -0.111 0.000 1.050 140 E CA -0.492 55.857 56.400 -0.085 0.000 0.878 140 E CB 0.905 30.562 29.700 -0.071 0.000 1.066 140 E HN 0.582 8.942 8.360 -0.000 0.000 0.406 141 R N 1.841 122.133 120.500 -0.347 0.000 2.399 141 R HA -0.065 4.275 4.340 0.001 0.000 0.324 141 R C 0.121 176.213 176.300 -0.345 0.000 1.030 141 R CA 0.564 56.151 56.100 -0.854 0.000 0.984 141 R CB -0.339 29.497 30.300 -0.773 0.000 0.961 141 R HN 0.611 8.881 8.270 -0.000 0.000 0.433 142 Y N 2.131 122.248 120.300 -0.305 0.000 2.432 142 Y HA 0.354 4.904 4.550 0.001 0.000 0.252 142 Y C -0.396 175.698 175.900 0.323 0.000 1.097 142 Y CA -1.360 56.627 58.100 -0.189 0.000 1.250 142 Y CB -0.576 37.597 38.460 -0.479 0.000 1.245 142 Y HN 0.508 8.788 8.280 -0.000 0.000 0.522 143 W N 1.932 123.199 121.300 -0.054 0.000 2.298 143 W HA 0.879 5.539 4.660 0.001 0.000 0.358 143 W C -0.609 176.029 176.519 0.197 0.000 1.241 143 W CA -1.216 56.204 57.345 0.125 0.000 1.385 143 W CB 0.780 30.152 29.460 -0.147 0.000 1.225 143 W HN 0.069 8.249 8.180 -0.000 0.000 0.654 144 A N 1.010 124.030 122.820 0.334 0.000 2.356 144 A HA 0.626 4.946 4.320 0.001 0.000 0.323 144 A C -0.806 176.931 177.584 0.256 0.000 1.119 144 A CA -0.986 51.159 52.037 0.181 0.000 0.790 144 A CB 1.094 20.190 19.000 0.161 0.000 1.273 144 A HN 0.759 8.909 8.150 -0.000 0.000 0.452 145 E N 1.012 121.311 120.200 0.165 0.000 2.232 145 E HA 0.447 4.798 4.350 0.001 0.000 0.264 145 E C -2.600 174.067 176.600 0.111 0.000 0.973 145 E CA -2.050 54.454 56.400 0.173 0.000 0.849 145 E CB 0.882 30.694 29.700 0.187 0.000 1.198 145 E HN 0.385 8.745 8.360 -0.000 0.000 0.407 146 P HA -0.027 4.393 4.420 -0.000 0.000 0.266 146 P C 0.607 177.939 177.300 0.054 0.000 1.195 146 P CA 0.964 64.107 63.100 0.073 0.000 0.768 146 P CB 0.423 32.164 31.700 0.067 0.000 0.838 147 G N 2.195 111.020 108.800 0.042 0.000 2.284 147 G HA2 -0.324 3.637 3.960 0.001 0.000 0.247 147 G HA3 -0.324 3.637 3.960 0.001 0.000 0.247 147 G C 0.979 175.892 174.900 0.022 0.000 1.012 147 G CA 0.183 45.301 45.100 0.030 0.000 0.618 147 G HN 0.578 8.868 8.290 -0.000 0.000 0.521 148 E N 0.314 120.530 120.200 0.025 0.000 2.435 148 E HA 0.241 4.591 4.350 0.001 0.000 0.195 148 E C 1.646 178.245 176.600 -0.001 0.000 1.029 148 E CA 0.737 57.142 56.400 0.010 0.000 0.865 148 E CB -0.063 29.642 29.700 0.010 0.000 0.833 148 E HN 0.478 8.838 8.360 -0.000 0.000 0.510 149 M N -0.520 119.085 119.600 0.009 0.000 7.319 149 M HA -0.282 4.199 4.480 0.001 0.000 0.245 149 M C -0.396 175.902 176.300 -0.002 0.000 0.480 149 M CA 1.574 56.876 55.300 0.002 0.000 1.311 149 M CB -1.354 31.239 32.600 -0.011 0.000 0.421 149 M HN 0.083 8.373 8.290 -0.000 0.000 0.532 150 Q N 1.179 120.965 119.800 -0.023 0.000 2.360 150 Q HA 0.666 5.007 4.340 0.001 0.000 0.254 150 Q C -0.934 175.008 176.000 -0.097 0.000 0.975 150 Q CA -0.735 55.043 55.803 -0.041 0.000 0.912 150 Q CB 0.990 29.702 28.738 -0.044 0.000 1.212 150 Q HN 0.303 8.573 8.270 -0.000 0.000 0.452 151 L N 2.284 123.433 121.223 -0.124 0.000 2.436 151 L HA 0.159 4.500 4.340 0.001 0.000 0.265 151 L C 0.460 177.051 176.870 -0.464 0.000 1.168 151 L CA 0.386 55.043 54.840 -0.304 0.000 0.815 151 L CB 0.455 42.334 42.059 -0.299 0.000 1.109 151 L HN 0.457 8.687 8.230 -0.000 0.000 0.462 152 E N 2.297 122.088 120.200 -0.682 0.000 2.191 152 E HA 0.360 4.711 4.350 0.001 0.000 0.263 152 E C -1.447 174.772 176.600 -0.634 0.000 0.881 152 E CA -0.232 55.888 56.400 -0.466 0.000 0.757 152 E CB 1.562 31.102 29.700 -0.265 0.000 1.147 152 E HN 0.215 8.575 8.360 -0.000 0.000 0.414 153 F N 1.356 121.330 119.950 0.040 0.000 2.434 153 F HA 0.386 4.914 4.527 0.001 0.000 0.367 153 F C 1.276 177.187 175.800 0.185 0.000 1.093 153 F CA -0.271 57.810 58.000 0.135 0.000 1.085 153 F CB 1.314 40.436 39.000 0.204 0.000 1.322 153 F HN 0.743 9.043 8.300 -0.000 0.000 0.452 154 G N 4.170 113.099 108.800 0.216 0.000 2.611 154 G HA2 -0.305 3.655 3.960 0.001 0.000 0.301 154 G HA3 -0.305 3.655 3.960 0.001 0.000 0.301 154 G C -1.379 173.548 174.900 0.045 0.000 1.233 154 G CA 0.127 45.313 45.100 0.143 0.000 0.993 154 G HN 0.477 8.767 8.290 -0.000 0.000 0.553 155 P HA 0.245 4.665 4.420 -0.000 0.000 0.249 155 P C 0.101 177.217 177.300 -0.307 0.000 1.229 155 P CA 0.352 63.335 63.100 -0.195 0.000 0.788 155 P CB -0.022 31.562 31.700 -0.193 0.000 1.072 156 F N 0.686 120.644 119.950 0.013 0.000 2.410 156 F HA 0.279 4.807 4.527 0.001 0.000 0.348 156 F C 0.924 176.664 175.800 -0.101 0.000 1.106 156 F CA -0.309 57.644 58.000 -0.078 0.000 1.163 156 F CB 0.920 39.819 39.000 -0.167 0.000 1.129 156 F HN -0.272 8.028 8.300 -0.000 0.000 0.516 157 S N 2.647 118.362 115.700 0.024 0.000 2.498 157 S HA 0.636 5.107 4.470 0.001 0.000 0.317 157 S C -0.718 173.862 174.600 -0.034 0.000 1.090 157 S CA -0.774 57.407 58.200 -0.031 0.000 1.089 157 S CB 1.468 64.645 63.200 -0.039 0.000 0.997 157 S HN 0.318 8.628 8.310 -0.000 0.000 0.470 158 V N 3.569 123.459 119.914 -0.039 0.000 2.376 158 V HA 0.610 4.730 4.120 0.001 0.000 0.287 158 V C 0.067 176.191 176.094 0.051 0.000 1.015 158 V CA -0.607 61.683 62.300 -0.017 0.000 0.834 158 V CB 1.100 32.896 31.823 -0.044 0.000 1.001 158 V HN 0.951 9.141 8.190 -0.000 0.000 0.428 159 S N 2.931 118.668 115.700 0.062 0.000 2.677 159 S HA 0.694 5.164 4.470 0.001 0.000 0.304 159 S C -0.607 174.057 174.600 0.107 0.000 1.108 159 S CA -0.816 57.429 58.200 0.074 0.000 0.944 159 S CB 2.040 65.269 63.200 0.047 0.000 1.127 159 S HN 0.777 9.087 8.310 -0.000 0.000 0.511 160 C N 1.369 120.732 119.300 0.106 0.000 2.316 160 C HA 0.525 4.985 4.460 0.001 0.000 0.324 160 C C 1.337 176.382 174.990 0.092 0.000 1.226 160 C CA -0.385 58.704 59.018 0.118 0.000 1.450 160 C CB -0.272 27.559 27.740 0.152 0.000 2.123 160 C HN 1.172 9.402 8.230 -0.000 0.000 0.454 161 E N 3.415 123.667 120.200 0.086 0.000 2.017 161 E HA 0.106 4.457 4.350 0.001 0.000 0.193 161 E C 0.641 177.290 176.600 0.081 0.000 0.997 161 E CA 1.515 57.962 56.400 0.078 0.000 0.804 161 E CB 0.216 29.964 29.700 0.081 0.000 0.757 161 E HN 0.865 9.225 8.360 -0.000 0.000 0.448 162 A N 0.254 123.132 122.820 0.095 0.000 2.455 162 A HA 0.409 4.730 4.320 0.001 0.000 0.300 162 A C -1.323 176.317 177.584 0.093 0.000 1.040 162 A CA -0.561 51.531 52.037 0.092 0.000 0.697 162 A CB 1.668 20.731 19.000 0.104 0.000 1.265 162 A HN 0.118 8.268 8.150 -0.000 0.000 0.407 163 E N 1.310 121.554 120.200 0.074 0.000 2.114 163 E HA 0.267 4.618 4.350 0.001 0.000 0.266 163 E C -0.991 175.631 176.600 0.037 0.000 0.896 163 E CA -0.644 55.791 56.400 0.059 0.000 0.750 163 E CB 1.482 31.219 29.700 0.060 0.000 1.121 163 E HN 0.479 8.839 8.360 -0.000 0.000 0.413 164 K N 3.777 124.191 120.400 0.024 0.000 2.284 164 K HA 0.165 4.485 4.320 0.001 0.000 0.287 164 K C -0.590 175.988 176.600 -0.037 0.000 1.081 164 K CA -0.219 56.071 56.287 0.005 0.000 0.910 164 K CB 0.451 32.964 32.500 0.023 0.000 1.088 164 K HN 0.274 8.524 8.250 -0.000 0.000 0.478 165 R N 4.337 124.807 120.500 -0.050 0.000 2.229 165 R HA 0.302 4.643 4.340 0.001 0.000 0.328 165 R C -0.100 176.117 176.300 -0.139 0.000 1.009 165 R CA -0.666 55.379 56.100 -0.092 0.000 0.864 165 R CB 1.224 31.484 30.300 -0.066 0.000 1.085 165 R HN 0.502 8.772 8.270 -0.000 0.000 0.453 166 K N 0.451 120.698 120.400 -0.254 0.000 2.354 166 K HA 0.249 4.570 4.320 0.001 0.000 0.238 166 K C 0.907 177.297 176.600 -0.350 0.000 1.068 166 K CA -0.713 55.374 56.287 -0.333 0.000 0.925 166 K CB 1.531 33.690 32.500 -0.569 0.000 1.286 166 K HN 0.268 8.518 8.250 -0.000 0.000 0.500 167 S N 0.597 116.099 115.700 -0.331 0.000 2.382 167 S HA -0.138 4.332 4.470 0.001 0.000 0.228 167 S C 0.286 174.729 174.600 -0.262 0.000 1.027 167 S CA 1.970 60.031 58.200 -0.231 0.000 0.991 167 S CB -0.049 63.059 63.200 -0.153 0.000 0.823 167 S HN 0.518 8.828 8.310 -0.000 0.000 0.469 168 D N -1.991 118.173 120.400 -0.393 0.000 2.525 168 D HA 0.250 4.890 4.640 0.001 0.000 0.231 168 D C -0.445 175.592 176.300 -0.440 0.000 1.216 168 D CA -0.154 53.625 54.000 -0.368 0.000 0.813 168 D CB 0.816 41.442 40.800 -0.291 0.000 1.108 168 D HN 0.563 8.933 8.370 -0.000 0.000 0.524 169 Y N -1.284 118.849 120.300 -0.277 0.000 2.670 169 Y HA 0.624 5.175 4.550 0.001 0.000 0.334 169 Y C -1.437 174.400 175.900 -0.105 0.000 1.185 169 Y CA -1.692 56.289 58.100 -0.198 0.000 1.053 169 Y CB 0.964 39.405 38.460 -0.031 0.000 1.298 169 Y HN -0.344 7.936 8.280 -0.000 0.000 0.459 170 I N 2.826 123.435 120.570 0.064 0.000 2.404 170 I HA 0.432 4.603 4.170 0.001 0.000 0.293 170 I C -0.783 175.362 176.117 0.047 0.000 0.992 170 I CA -0.889 60.417 61.300 0.009 0.000 1.149 170 I CB 1.826 39.803 38.000 -0.038 0.000 1.315 170 I HN 0.477 8.687 8.210 -0.000 0.000 0.446 171 I N 6.010 126.543 120.570 -0.062 0.000 2.297 171 I HA 0.381 4.552 4.170 0.001 0.000 0.291 171 I C 0.113 176.173 176.117 -0.095 0.000 1.033 171 I CA -0.406 60.731 61.300 -0.272 0.000 1.253 171 I CB 0.321 38.056 38.000 -0.442 0.000 1.396 171 I HN 0.458 8.668 8.210 -0.000 0.000 0.476 172 R N 4.084 124.550 120.500 -0.056 0.000 2.294 172 R HA 0.423 4.763 4.340 0.001 0.000 0.319 172 R C -0.577 175.779 176.300 0.094 0.000 0.984 172 R CA -0.548 55.582 56.100 0.050 0.000 0.861 172 R CB 1.730 32.077 30.300 0.078 0.000 1.104 172 R HN 0.489 8.759 8.270 -0.000 0.000 0.451 173 T N 5.210 119.840 114.554 0.128 0.000 2.811 173 T HA 0.289 4.639 4.350 0.001 0.000 0.309 173 T C 0.304 175.039 174.700 0.057 0.000 1.005 173 T CA -0.444 61.710 62.100 0.090 0.000 0.955 173 T CB 0.153 69.124 68.868 0.172 0.000 0.970 173 T HN 0.227 8.467 8.240 -0.000 0.000 0.496 174 L N 3.529 124.777 121.223 0.042 0.000 2.334 174 L HA 0.508 4.848 4.340 0.001 0.000 0.277 174 L C 0.541 177.452 176.870 0.069 0.000 1.075 174 L CA -0.894 54.017 54.840 0.119 0.000 0.804 174 L CB 0.704 42.920 42.059 0.262 0.000 1.174 174 L HN 0.236 8.466 8.230 -0.000 0.000 0.438 175 K N 3.376 123.829 120.400 0.089 0.000 2.358 175 K HA 0.514 4.835 4.320 0.001 0.000 0.260 175 K C -1.132 175.524 176.600 0.094 0.000 0.956 175 K CA -0.544 55.794 56.287 0.085 0.000 0.834 175 K CB 2.379 34.922 32.500 0.071 0.000 1.102 175 K HN 0.268 8.518 8.250 -0.000 0.000 0.431 176 V N 3.390 123.392 119.914 0.145 0.000 2.349 176 V HA 0.276 4.396 4.120 0.001 0.000 0.284 176 V C 0.054 176.339 176.094 0.317 0.000 1.014 176 V CA -0.999 61.405 62.300 0.173 0.000 0.826 176 V CB 1.504 33.480 31.823 0.254 0.000 1.009 176 V HN 0.455 8.645 8.190 -0.000 0.000 0.431 177 K N 4.046 124.554 120.400 0.180 0.000 2.211 177 K HA 0.523 4.844 4.320 0.001 0.000 0.275 177 K C -1.531 175.092 176.600 0.038 0.000 1.024 177 K CA -0.407 55.960 56.287 0.134 0.000 0.887 177 K CB 1.538 34.066 32.500 0.046 0.000 1.084 177 K HN 0.535 8.785 8.250 -0.000 0.000 0.463 178 F N 5.774 125.546 119.950 -0.297 0.000 2.539 178 F HA 0.116 4.644 4.527 0.001 0.000 0.318 178 F C 0.824 176.361 175.800 -0.439 0.000 1.135 178 F CA -1.107 56.460 58.000 -0.722 0.000 0.915 178 F CB 0.641 38.636 39.000 -1.675 0.000 1.176 178 F HN 0.815 9.115 8.300 -0.000 0.000 0.440 179 N N 3.201 121.314 118.700 -0.977 0.000 1.596 179 N HA -0.421 4.320 4.740 0.001 0.000 0.137 179 N C 1.027 176.331 175.510 -0.343 0.000 0.235 179 N CA 3.505 56.162 53.050 -0.655 0.000 1.299 179 N CB -1.335 36.673 38.487 -0.797 0.000 1.306 179 N HN 0.815 9.195 8.380 -0.000 0.000 0.455 180 S N 0.211 115.742 115.700 -0.282 0.000 2.502 180 S HA 0.191 4.662 4.470 0.001 0.000 0.215 180 S C 0.639 175.231 174.600 -0.013 0.000 1.009 180 S CA 0.422 58.550 58.200 -0.119 0.000 0.908 180 S CB -0.133 63.007 63.200 -0.100 0.000 0.801 180 S HN 0.839 9.149 8.310 -0.000 0.000 0.505 181 E N 1.288 121.527 120.200 0.065 0.000 2.231 181 E HA 0.467 4.817 4.350 0.001 0.000 0.277 181 E C -1.264 175.531 176.600 0.324 0.000 0.999 181 E CA -0.420 56.113 56.400 0.221 0.000 0.827 181 E CB 0.993 30.913 29.700 0.366 0.000 1.101 181 E HN 0.097 8.457 8.360 -0.000 0.000 0.393 182 T N 4.392 119.096 114.554 0.251 0.000 2.792 182 T HA 0.432 4.783 4.350 0.001 0.000 0.280 182 T C -0.375 174.457 174.700 0.220 0.000 0.990 182 T CA -0.677 61.575 62.100 0.253 0.000 0.960 182 T CB 0.962 69.919 68.868 0.148 0.000 0.939 182 T HN 0.414 8.654 8.240 -0.000 0.000 0.439 183 R N 1.206 121.863 120.500 0.261 0.000 2.758 183 R HA 0.718 5.058 4.340 0.001 0.000 0.265 183 R C -0.435 175.920 176.300 0.092 0.000 1.016 183 R CA -0.940 55.230 56.100 0.117 0.000 1.040 183 R CB 1.150 31.444 30.300 -0.010 0.000 1.152 183 R HN 0.449 8.719 8.270 -0.000 0.000 0.503 184 T N 2.489 117.053 114.554 0.016 0.000 2.779 184 T HA 0.477 4.828 4.350 0.001 0.000 0.280 184 T C -0.235 174.381 174.700 -0.139 0.000 0.987 184 T CA -0.582 61.464 62.100 -0.090 0.000 0.966 184 T CB 0.717 69.491 68.868 -0.156 0.000 0.933 184 T HN 0.237 8.477 8.240 -0.000 0.000 0.442 185 I N 3.005 123.497 120.570 -0.130 0.000 2.465 185 I HA 0.332 4.502 4.170 0.001 0.000 0.291 185 I C -0.965 175.039 176.117 -0.187 0.000 1.014 185 I CA -1.127 60.148 61.300 -0.042 0.000 1.093 185 I CB 1.508 39.636 38.000 0.214 0.000 1.267 185 I HN 0.632 8.842 8.210 -0.000 0.000 0.431 186 Y N 4.037 124.458 120.300 0.201 0.000 2.425 186 Y HA 0.278 4.828 4.550 0.001 0.000 0.347 186 Y C 0.815 176.808 175.900 0.156 0.000 0.976 186 Y CA -0.291 57.874 58.100 0.109 0.000 1.190 186 Y CB 0.546 39.030 38.460 0.040 0.000 1.136 186 Y HN 0.496 8.776 8.280 -0.000 0.000 0.517 187 Q N 4.674 124.579 119.800 0.174 0.000 2.331 187 Q HA 0.345 4.686 4.340 0.001 0.000 0.257 187 Q C -1.699 174.325 176.000 0.040 0.000 0.957 187 Q CA -0.561 55.351 55.803 0.182 0.000 0.923 187 Q CB 0.523 29.367 28.738 0.176 0.000 1.212 187 Q HN 0.662 8.932 8.270 -0.000 0.000 0.443 188 F N 3.696 123.677 119.950 0.052 0.000 2.371 188 F HA 0.220 4.748 4.527 0.001 0.000 0.363 188 F C 0.271 176.126 175.800 0.091 0.000 1.122 188 F CA -0.523 57.509 58.000 0.052 0.000 1.129 188 F CB 0.749 39.722 39.000 -0.046 0.000 1.173 188 F HN 0.563 8.863 8.300 -0.000 0.000 0.489 189 H N 4.439 123.574 119.070 0.109 0.000 2.638 189 H HA 0.193 4.749 4.556 0.001 0.000 0.303 189 H C -1.477 173.949 175.328 0.163 0.000 1.034 189 H CA -0.906 55.151 56.048 0.015 0.000 1.225 189 H CB 0.686 30.316 29.762 -0.219 0.000 1.394 189 H HN 0.601 8.881 8.280 -0.000 0.000 0.477 190 Y N 6.505 126.979 120.300 0.290 0.000 2.404 190 Y HA 0.233 4.783 4.550 0.001 0.000 0.344 190 Y C -0.727 175.271 175.900 0.163 0.000 0.970 190 Y CA -0.672 57.573 58.100 0.241 0.000 1.180 190 Y CB 0.257 38.887 38.460 0.284 0.000 1.138 190 Y HN 0.533 8.813 8.280 -0.000 0.000 0.510 191 K N 3.198 123.675 120.400 0.128 0.000 2.245 191 K HA 0.288 4.609 4.320 0.001 0.000 0.234 191 K C 0.132 176.876 176.600 0.240 0.000 1.021 191 K CA -1.063 55.301 56.287 0.129 0.000 0.898 191 K CB 0.836 33.282 32.500 -0.090 0.000 1.163 191 K HN 0.661 8.911 8.250 -0.000 0.000 0.459 192 N N -0.065 118.766 118.700 0.219 0.000 2.741 192 N HA -0.176 4.565 4.740 0.001 0.000 0.251 192 N C -1.483 174.263 175.510 0.394 0.000 1.112 192 N CA 0.791 53.982 53.050 0.236 0.000 0.750 192 N CB -0.477 38.090 38.487 0.134 0.000 1.119 192 N HN 0.620 9.000 8.380 -0.000 0.000 0.561 193 W N 2.769 124.196 121.300 0.213 0.000 2.485 193 W HA 0.472 5.132 4.660 0.001 0.000 0.297 193 W C -2.553 174.002 176.519 0.060 0.000 0.999 193 W CA -2.347 55.075 57.345 0.129 0.000 1.512 193 W CB 0.609 30.114 29.460 0.075 0.000 1.322 193 W HN -0.054 8.126 8.180 -0.000 0.000 0.419 194 P HA 0.236 4.656 4.420 -0.000 0.000 0.272 194 P C -0.110 177.090 177.300 -0.166 0.000 1.230 194 P CA -0.083 63.020 63.100 0.005 0.000 0.788 194 P CB 0.797 32.553 31.700 0.092 0.000 0.949 195 A N 2.296 124.991 122.820 -0.209 0.000 2.540 195 A HA 0.319 4.639 4.320 0.001 0.000 0.239 195 A C -0.104 177.343 177.584 -0.227 0.000 1.061 195 A CA 0.844 52.666 52.037 -0.357 0.000 0.758 195 A CB -0.894 17.872 19.000 -0.390 0.000 0.991 195 A HN 0.790 8.940 8.150 -0.000 0.000 0.502 196 H N -0.569 118.455 119.070 -0.077 0.000 0.000 196 H HA 0.528 5.084 4.556 0.001 0.000 0.000 196 H C -1.902 173.426 175.328 -0.000 0.000 0.000 196 H CA -0.807 55.220 56.048 -0.035 0.000 0.000 196 H CB 1.205 30.940 29.762 -0.044 0.000 0.000 196 H HN 0.609 8.889 8.280 -0.000 0.000 0.000 197 D N 0.927 121.426 120.400 0.165 0.000 0.000 197 D HA 0.261 4.901 4.640 0.001 0.000 0.000 197 D C -0.743 175.734 176.300 0.296 0.000 0.000 197 D CA -0.507 53.599 54.000 0.178 0.000 0.000 197 D CB 1.683 42.564 40.800 0.135 0.000 0.000 197 D HN 0.469 8.839 8.370 -0.000 0.000 0.000 198 V N -0.760 119.269 119.914 0.191 0.000 2.904 198 V HA 0.631 4.752 4.120 0.001 0.000 0.305 198 V C -2.142 173.872 176.094 -0.134 0.000 1.067 198 V CA -1.549 60.783 62.300 0.054 0.000 1.044 198 V CB 0.345 32.136 31.823 -0.052 0.000 1.050 198 V HN 0.266 8.456 8.190 -0.000 0.000 0.475 199 P HA 0.053 4.473 4.420 -0.000 0.000 0.275 199 P C 0.087 177.304 177.300 -0.139 0.000 1.271 199 P CA 0.388 63.321 63.100 -0.278 0.000 0.861 199 P CB 0.195 31.633 31.700 -0.435 0.000 1.071 200 S N -1.442 114.211 115.700 -0.079 0.000 2.719 200 S HA 0.392 4.862 4.470 0.001 0.000 0.285 200 S C 0.482 175.057 174.600 -0.041 0.000 1.137 200 S CA -0.499 57.656 58.200 -0.075 0.000 1.012 200 S CB 0.432 63.600 63.200 -0.054 0.000 1.134 200 S HN 0.536 8.846 8.310 -0.000 0.000 0.544 201 S N 1.733 117.412 115.700 -0.036 0.000 2.502 201 S HA 0.160 4.631 4.470 0.001 0.000 0.251 201 S C 1.641 176.190 174.600 -0.085 0.000 1.254 201 S CA -0.422 57.746 58.200 -0.053 0.000 0.989 201 S CB -0.316 62.862 63.200 -0.037 0.000 1.015 201 S HN 0.728 9.038 8.310 -0.000 0.000 0.529 202 I N -0.869 119.649 120.570 -0.087 0.000 3.291 202 I HA -0.018 4.153 4.170 0.001 0.000 0.279 202 I C 0.557 176.639 176.117 -0.057 0.000 1.294 202 I CA 1.205 62.441 61.300 -0.108 0.000 1.428 202 I CB -1.286 36.648 38.000 -0.110 0.000 1.070 202 I HN 0.242 8.452 8.210 -0.000 0.000 0.478 203 D N 2.720 123.105 120.400 -0.025 0.000 2.097 203 D HA -0.049 4.592 4.640 0.001 0.000 0.197 203 D C -0.291 176.060 176.300 0.084 0.000 0.984 203 D CA 1.377 55.383 54.000 0.009 0.000 0.826 203 D CB -1.501 39.296 40.800 -0.005 0.000 0.973 203 D HN 0.327 8.697 8.370 -0.000 0.000 0.460 204 P HA -0.083 4.337 4.420 -0.000 0.000 0.215 204 P C 1.864 179.384 177.300 0.365 0.000 1.153 204 P CA 0.721 63.980 63.100 0.265 0.000 0.853 204 P CB 0.040 31.886 31.700 0.244 0.000 0.788 205 I N -1.172 119.557 120.570 0.265 0.000 2.151 205 I HA -0.256 3.914 4.170 0.001 0.000 0.243 205 I C 2.277 178.482 176.117 0.148 0.000 1.080 205 I CA 1.484 62.859 61.300 0.125 0.000 1.339 205 I CB -0.546 37.391 38.000 -0.105 0.000 1.039 205 I HN -0.096 8.114 8.210 -0.000 0.000 0.409 206 L N -0.188 121.130 121.223 0.158 0.000 2.056 206 L HA -0.207 4.134 4.340 0.001 0.000 0.207 206 L C 2.552 179.683 176.870 0.435 0.000 1.078 206 L CA 1.262 56.278 54.840 0.294 0.000 0.749 206 L CB -0.741 41.361 42.059 0.071 0.000 0.901 206 L HN 0.290 8.520 8.230 -0.000 0.000 0.433 207 E N 0.691 121.081 120.200 0.317 0.000 2.085 207 E HA -0.267 4.084 4.350 0.001 0.000 0.194 207 E C 2.328 179.150 176.600 0.370 0.000 0.994 207 E CA 1.312 57.929 56.400 0.363 0.000 0.801 207 E CB -0.059 29.839 29.700 0.330 0.000 0.743 207 E HN 0.430 8.790 8.360 -0.000 0.000 0.453 208 L N 0.695 122.005 121.223 0.146 0.000 2.012 208 L HA -0.203 4.138 4.340 0.001 0.000 0.210 208 L C 2.320 179.104 176.870 -0.144 0.000 1.073 208 L CA 1.306 55.971 54.840 -0.292 0.000 0.748 208 L CB -0.139 41.615 42.059 -0.507 0.000 0.891 208 L HN 0.151 8.381 8.230 -0.000 0.000 0.431 209 I N -1.269 119.317 120.570 0.026 0.000 2.439 209 I HA -0.299 3.872 4.170 0.001 0.000 0.251 209 I C 2.300 178.348 176.117 -0.114 0.000 1.139 209 I CA 1.112 62.395 61.300 -0.029 0.000 1.438 209 I CB -0.589 37.507 38.000 0.160 0.000 1.085 209 I HN 0.602 8.812 8.210 -0.000 0.000 0.427 210 W N 2.737 123.969 121.300 -0.113 0.000 2.358 210 W HA -0.227 4.433 4.660 0.001 0.000 0.303 210 W C 1.764 178.218 176.519 -0.108 0.000 1.208 210 W CA 1.712 58.937 57.345 -0.201 0.000 1.274 210 W CB -0.305 29.205 29.460 0.083 0.000 1.138 210 W HN 0.190 8.370 8.180 -0.000 0.000 0.515 211 D N 0.458 120.978 120.400 0.201 0.000 2.117 211 D HA -0.150 4.491 4.640 0.001 0.000 0.198 211 D C 2.370 178.676 176.300 0.009 0.000 0.982 211 D CA 1.559 55.709 54.000 0.251 0.000 0.828 211 D CB -0.585 40.518 40.800 0.505 0.000 0.967 211 D HN 0.016 8.386 8.370 -0.000 0.000 0.464 212 V N 1.151 120.813 119.914 -0.419 0.000 2.343 212 V HA -0.194 3.926 4.120 0.001 0.000 0.247 212 V C 2.396 178.324 176.094 -0.275 0.000 1.051 212 V CA 1.396 63.293 62.300 -0.672 0.000 1.036 212 V CB -0.211 31.139 31.823 -0.788 0.000 0.654 212 V HN 0.101 8.291 8.190 -0.000 0.000 0.451 213 R N -1.013 119.299 120.500 -0.313 0.000 2.193 213 R HA -0.001 4.340 4.340 0.001 0.000 0.213 213 R C 2.180 178.301 176.300 -0.298 0.000 1.055 213 R CA 0.953 56.855 56.100 -0.331 0.000 0.995 213 R CB -1.421 28.581 30.300 -0.497 0.000 0.893 213 R HN 0.505 8.775 8.270 -0.000 0.000 0.459 214 C N 0.054 119.195 119.300 -0.265 0.000 2.425 214 C HA -0.115 4.345 4.460 0.001 0.000 0.277 214 C C 2.310 177.250 174.990 -0.083 0.000 1.280 214 C CA 0.513 59.422 59.018 -0.181 0.000 1.744 214 C CB -0.998 26.698 27.740 -0.074 0.000 1.989 214 C HN 0.396 8.626 8.230 -0.000 0.000 0.491 215 Y N -0.197 120.012 120.300 -0.152 0.000 2.220 215 Y HA 0.002 4.553 4.550 0.001 0.000 0.291 215 Y C 1.675 177.531 175.900 -0.073 0.000 1.129 215 Y CA 1.131 59.166 58.100 -0.109 0.000 1.161 215 Y CB -0.204 38.217 38.460 -0.065 0.000 0.997 215 Y HN 0.385 8.665 8.280 -0.000 0.000 0.522 216 Q N 0.490 120.319 119.800 0.048 0.000 2.294 216 Q HA 0.132 4.473 4.340 0.001 0.000 0.264 216 Q C 0.160 176.099 176.000 -0.103 0.000 0.992 216 Q CA -0.218 55.571 55.803 -0.023 0.000 0.747 216 Q CB 1.272 30.006 28.738 -0.008 0.000 1.262 216 Q HN 0.545 8.815 8.270 -0.000 0.000 0.452 217 E N 2.126 122.251 120.200 -0.124 0.000 2.340 217 E HA -0.017 4.333 4.350 0.001 0.000 0.194 217 E C -0.009 176.508 176.600 -0.140 0.000 0.996 217 E CA 0.401 56.702 56.400 -0.166 0.000 0.869 217 E CB 0.374 29.967 29.700 -0.178 0.000 0.835 217 E HN 0.600 8.960 8.360 -0.000 0.000 0.493 218 D N 1.500 121.832 120.400 -0.114 0.000 2.627 218 D HA -0.025 4.616 4.640 0.001 0.000 0.259 218 D C 0.194 176.432 176.300 -0.103 0.000 1.164 218 D CA -0.391 53.548 54.000 -0.102 0.000 1.087 218 D CB 0.519 41.256 40.800 -0.105 0.000 1.217 218 D HN -0.011 8.359 8.370 -0.000 0.000 0.630 219 D N -1.609 118.734 120.400 -0.094 0.000 2.463 219 D HA 0.013 4.653 4.640 0.001 0.000 0.224 219 D C 0.984 177.230 176.300 -0.089 0.000 1.174 219 D CA -0.110 53.825 54.000 -0.109 0.000 0.829 219 D CB -0.183 40.558 40.800 -0.097 0.000 0.993 219 D HN 0.237 8.607 8.370 -0.000 0.000 0.497 220 S N -0.221 115.433 115.700 -0.077 0.000 2.374 220 S HA -0.112 4.359 4.470 0.001 0.000 0.227 220 S C 1.232 175.801 174.600 -0.052 0.000 1.037 220 S CA 1.132 59.295 58.200 -0.062 0.000 1.024 220 S CB -0.905 62.262 63.200 -0.056 0.000 0.861 220 S HN 0.423 8.733 8.310 -0.000 0.000 0.456 221 V N -2.765 117.119 119.914 -0.050 0.000 2.876 221 V HA 0.671 4.791 4.120 0.001 0.000 0.312 221 V C -3.351 172.716 176.094 -0.045 0.000 1.085 221 V CA -3.338 58.945 62.300 -0.029 0.000 0.945 221 V CB 1.430 33.243 31.823 -0.017 0.000 1.017 221 V HN -0.129 8.061 8.190 -0.000 0.000 0.428 222 P HA 0.296 4.716 4.420 -0.000 0.000 0.266 222 P C -0.492 176.779 177.300 -0.047 0.000 1.195 222 P CA 0.329 63.406 63.100 -0.038 0.000 0.768 222 P CB 0.286 32.011 31.700 0.041 0.000 0.838 223 I N 2.356 122.884 120.570 -0.071 0.000 2.353 223 I HA 0.184 4.355 4.170 0.001 0.000 0.293 223 I C 0.474 176.601 176.117 0.017 0.000 0.992 223 I CA -0.568 60.720 61.300 -0.020 0.000 1.268 223 I CB 1.027 39.020 38.000 -0.012 0.000 1.387 223 I HN 0.333 8.543 8.210 -0.000 0.000 0.478 224 C N 8.396 127.692 119.300 -0.006 0.000 2.303 224 C HA 0.558 5.019 4.460 0.001 0.000 0.341 224 C C -0.001 175.009 174.990 0.032 0.000 1.244 224 C CA -0.457 58.547 59.018 -0.024 0.000 1.765 224 C CB -1.232 26.433 27.740 -0.125 0.000 2.379 224 C HN 0.607 8.837 8.230 -0.000 0.000 0.530 225 I N 6.889 127.477 120.570 0.029 0.000 2.406 225 I HA 0.473 4.643 4.170 0.001 0.000 0.290 225 I C -0.353 175.775 176.117 0.018 0.000 0.999 225 I CA -0.160 61.139 61.300 -0.001 0.000 1.124 225 I CB 1.302 39.289 38.000 -0.020 0.000 1.289 225 I HN 0.877 9.087 8.210 -0.000 0.000 0.441 226 H N 3.390 122.417 119.070 -0.070 0.000 3.012 226 H HA 0.787 5.344 4.556 0.001 0.000 0.367 226 H C -1.072 174.186 175.328 -0.117 0.000 1.211 226 H CA -0.681 55.311 56.048 -0.093 0.000 1.139 226 H CB 1.539 31.252 29.762 -0.081 0.000 1.838 226 H HN 0.491 8.771 8.280 -0.000 0.000 0.550 227 S N 1.276 116.950 115.700 -0.043 0.000 3.379 227 S HA 0.341 4.812 4.470 0.001 0.000 0.273 227 S C 1.108 175.741 174.600 0.054 0.000 1.027 227 S CA -0.122 58.006 58.200 -0.120 0.000 1.098 227 S CB 0.741 63.790 63.200 -0.252 0.000 1.317 227 S HN 0.606 8.916 8.310 -0.000 0.000 0.715 228 S N 0.463 116.167 115.700 0.007 0.000 2.336 228 S HA 0.112 4.583 4.470 0.001 0.000 0.216 228 S C 1.936 176.635 174.600 0.165 0.000 1.032 228 S CA 1.143 59.398 58.200 0.092 0.000 0.973 228 S CB -1.114 62.165 63.200 0.132 0.000 0.888 228 S HN 0.837 9.147 8.310 -0.000 0.000 0.455 229 A N -0.306 122.639 122.820 0.208 0.000 2.021 229 A HA 0.434 4.755 4.320 0.001 0.000 0.216 229 A C 1.753 179.369 177.584 0.053 0.000 1.163 229 A CA 1.225 53.396 52.037 0.223 0.000 0.676 229 A CB -1.038 17.993 19.000 0.052 0.000 0.818 229 A HN 1.436 9.586 8.150 -0.000 0.000 0.453 230 G N -2.834 105.957 108.800 -0.015 0.000 2.137 230 G HA2 -0.284 3.677 3.960 0.001 0.000 0.237 230 G HA3 -0.284 3.677 3.960 0.001 0.000 0.237 230 G C 0.556 175.407 174.900 -0.082 0.000 1.002 230 G CA 0.513 45.583 45.100 -0.049 0.000 0.702 230 G HN 0.689 8.979 8.290 -0.000 0.000 0.515 231 C N -1.458 117.787 119.300 -0.092 0.000 2.646 231 C HA 0.576 5.036 4.460 0.001 0.000 0.428 231 C C 2.994 177.930 174.990 -0.090 0.000 1.492 231 C CA 1.221 60.188 59.018 -0.085 0.000 2.538 231 C CB -0.448 27.253 27.740 -0.065 0.000 2.609 231 C HN 0.733 8.963 8.230 -0.000 0.000 0.594 232 G N 1.229 109.952 108.800 -0.129 0.000 2.705 232 G HA2 -0.139 3.821 3.960 0.001 0.000 0.214 232 G HA3 -0.139 3.821 3.960 0.001 0.000 0.214 232 G C 1.571 176.378 174.900 -0.155 0.000 1.321 232 G CA 0.684 45.702 45.100 -0.137 0.000 0.826 232 G HN 0.521 8.811 8.290 -0.000 0.000 0.595 233 R N -0.289 120.008 120.500 -0.338 0.000 2.091 233 R HA -0.049 4.292 4.340 0.001 0.000 0.238 233 R C 2.927 179.051 176.300 -0.294 0.000 1.136 233 R CA 1.716 57.486 56.100 -0.550 0.000 0.959 233 R CB -0.923 28.708 30.300 -1.116 0.000 0.856 233 R HN 0.353 8.623 8.270 -0.000 0.000 0.437 234 T N 0.109 114.516 114.554 -0.245 0.000 2.592 234 T HA -0.246 4.104 4.350 0.001 0.000 0.267 234 T C 1.931 176.561 174.700 -0.117 0.000 1.060 234 T CA 1.804 63.810 62.100 -0.157 0.000 1.167 234 T CB -0.875 67.913 68.868 -0.133 0.000 0.863 234 T HN 0.600 8.840 8.240 -0.000 0.000 0.431 235 G N 0.822 109.567 108.800 -0.091 0.000 2.476 235 G HA2 -0.205 3.756 3.960 0.001 0.000 0.218 235 G HA3 -0.205 3.756 3.960 0.001 0.000 0.218 235 G C 1.739 176.617 174.900 -0.035 0.000 1.164 235 G CA 1.090 46.152 45.100 -0.063 0.000 0.768 235 G HN 0.459 8.749 8.290 -0.000 0.000 0.560 236 V N 1.125 121.053 119.914 0.023 0.000 2.255 236 V HA -0.209 3.912 4.120 0.001 0.000 0.247 236 V C 2.819 178.947 176.094 0.057 0.000 1.051 236 V CA 1.898 64.250 62.300 0.088 0.000 1.018 236 V CB -0.464 31.513 31.823 0.257 0.000 0.641 236 V HN 0.404 8.594 8.190 -0.000 0.000 0.445 237 I N -0.408 120.192 120.570 0.050 0.000 2.127 237 I HA -0.283 3.888 4.170 0.001 0.000 0.241 237 I C 2.624 178.693 176.117 -0.080 0.000 1.075 237 I CA 1.860 63.164 61.300 0.007 0.000 1.334 237 I CB -0.646 37.356 38.000 0.003 0.000 1.040 237 I HN 0.345 8.555 8.210 -0.000 0.000 0.405 238 C N 0.722 119.895 119.300 -0.211 0.000 2.413 238 C HA -0.160 4.301 4.460 0.001 0.000 0.276 238 C C 3.181 178.030 174.990 -0.235 0.000 1.236 238 C CA 0.677 59.409 59.018 -0.477 0.000 1.735 238 C CB -1.558 25.771 27.740 -0.686 0.000 2.031 238 C HN 0.614 8.844 8.230 -0.000 0.000 0.474 239 A N 0.834 123.587 122.820 -0.112 0.000 1.883 239 A HA -0.151 4.169 4.320 0.001 0.000 0.217 239 A C 2.018 179.659 177.584 0.095 0.000 1.186 239 A CA 1.947 53.975 52.037 -0.014 0.000 0.624 239 A CB -0.638 18.359 19.000 -0.005 0.000 0.822 239 A HN 0.612 8.762 8.150 -0.000 0.000 0.444 240 I N -0.478 120.141 120.570 0.080 0.000 2.142 240 I HA -0.262 3.909 4.170 0.001 0.000 0.240 240 I C 2.316 178.562 176.117 0.216 0.000 1.078 240 I CA 1.947 63.324 61.300 0.127 0.000 1.343 240 I CB -0.589 37.465 38.000 0.090 0.000 1.046 240 I HN 0.432 8.642 8.210 -0.000 0.000 0.405 241 D N 0.089 120.605 120.400 0.194 0.000 2.133 241 D HA -0.317 4.324 4.640 0.001 0.000 0.192 241 D C 2.185 178.646 176.300 0.269 0.000 1.001 241 D CA 1.653 55.793 54.000 0.232 0.000 0.844 241 D CB -0.206 40.703 40.800 0.183 0.000 0.944 241 D HN 0.396 8.766 8.370 -0.000 0.000 0.447 242 Y N 0.367 120.751 120.300 0.140 0.000 2.145 242 Y HA -0.238 4.312 4.550 0.001 0.000 0.286 242 Y C 2.439 178.402 175.900 0.105 0.000 1.145 242 Y CA 2.091 60.279 58.100 0.146 0.000 1.148 242 Y CB -0.458 38.070 38.460 0.114 0.000 0.981 242 Y HN -0.006 8.274 8.280 -0.000 0.000 0.507 243 T N -0.030 114.770 114.554 0.409 0.000 2.684 243 T HA -0.285 4.066 4.350 0.001 0.000 0.267 243 T C 1.367 176.117 174.700 0.083 0.000 1.036 243 T CA 1.595 63.826 62.100 0.219 0.000 1.148 243 T CB -0.800 68.195 68.868 0.212 0.000 0.863 243 T HN 0.588 8.828 8.240 -0.000 0.000 0.436 244 W N 1.596 122.869 121.300 -0.045 0.000 2.342 244 W HA -0.018 4.642 4.660 0.001 0.000 0.297 244 W C 2.266 178.718 176.519 -0.112 0.000 1.213 244 W CA 0.750 58.045 57.345 -0.083 0.000 1.251 244 W CB -0.919 28.528 29.460 -0.023 0.000 1.136 244 W HN 0.271 8.451 8.180 -0.000 0.000 0.526 245 M N -0.363 119.284 119.600 0.077 0.000 2.099 245 M HA -0.217 4.264 4.480 0.001 0.000 0.262 245 M C 2.154 178.392 176.300 -0.104 0.000 1.067 245 M CA 1.806 57.065 55.300 -0.068 0.000 1.124 245 M CB -0.645 31.857 32.600 -0.164 0.000 1.353 245 M HN -0.102 8.188 8.290 -0.000 0.000 0.410 246 L N 0.095 121.227 121.223 -0.151 0.000 2.013 246 L HA -0.273 4.067 4.340 0.001 0.000 0.212 246 L C 2.417 179.178 176.870 -0.181 0.000 1.073 246 L CA 1.463 56.198 54.840 -0.175 0.000 0.753 246 L CB -0.889 41.075 42.059 -0.159 0.000 0.890 246 L HN 0.419 8.649 8.230 -0.000 0.000 0.432 247 L N -0.443 120.653 121.223 -0.212 0.000 2.012 247 L HA -0.250 4.090 4.340 0.001 0.000 0.210 247 L C 2.590 179.403 176.870 -0.094 0.000 1.073 247 L CA 1.539 56.231 54.840 -0.247 0.000 0.748 247 L CB -0.408 41.461 42.059 -0.317 0.000 0.891 247 L HN 0.195 8.425 8.230 -0.000 0.000 0.431 248 K N -0.670 119.734 120.400 0.006 0.000 2.296 248 K HA -0.086 4.235 4.320 0.001 0.000 0.200 248 K C 0.711 177.302 176.600 -0.014 0.000 1.048 248 K CA 0.839 57.141 56.287 0.026 0.000 0.966 248 K CB 0.133 32.630 32.500 -0.005 0.000 0.754 248 K HN 0.255 8.505 8.250 -0.000 0.000 0.466 249 D N -0.794 119.593 120.400 -0.022 0.000 2.398 249 D HA 0.089 4.729 4.640 0.001 0.000 0.210 249 D C 0.534 176.827 176.300 -0.012 0.000 1.094 249 D CA 0.265 54.267 54.000 0.002 0.000 0.839 249 D CB 0.969 41.814 40.800 0.076 0.000 0.963 249 D HN 0.236 8.606 8.370 -0.000 0.000 0.506 250 G N 2.223 110.993 108.800 -0.049 0.000 2.221 250 G HA2 -0.276 3.685 3.960 0.001 0.000 0.265 250 G HA3 -0.276 3.685 3.960 0.001 0.000 0.265 250 G C 0.660 175.529 174.900 -0.052 0.000 1.041 250 G CA 0.559 45.621 45.100 -0.063 0.000 0.807 250 G HN 0.547 8.837 8.290 -0.000 0.000 0.502 251 I N -2.451 118.082 120.570 -0.062 0.000 3.654 251 I HA 0.478 4.648 4.170 0.001 0.000 0.337 251 I C 0.354 176.438 176.117 -0.055 0.000 1.568 251 I CA -1.093 60.184 61.300 -0.038 0.000 1.115 251 I CB 0.253 38.249 38.000 -0.007 0.000 1.300 251 I HN -0.089 8.121 8.210 -0.000 0.000 0.471 252 I N 4.879 125.379 120.570 -0.118 0.000 2.581 252 I HA 0.205 4.375 4.170 0.001 0.000 0.285 252 I C -1.742 174.388 176.117 0.022 0.000 1.129 252 I CA -1.028 60.189 61.300 -0.139 0.000 1.397 252 I CB 0.145 37.936 38.000 -0.349 0.000 1.399 252 I HN 0.156 8.366 8.210 -0.000 0.000 0.537 253 P HA 0.222 4.642 4.420 -0.000 0.000 0.275 253 P C 0.742 178.164 177.300 0.203 0.000 1.266 253 P CA -0.111 63.086 63.100 0.162 0.000 0.793 253 P CB 0.495 32.307 31.700 0.186 0.000 1.074 254 E N 0.703 121.004 120.200 0.169 0.000 2.152 254 E HA -0.178 4.173 4.350 0.001 0.000 0.192 254 E C 1.148 177.875 176.600 0.211 0.000 0.983 254 E CA 1.427 57.933 56.400 0.176 0.000 0.818 254 E CB -1.395 28.380 29.700 0.125 0.000 0.758 254 E HN 0.692 9.052 8.360 -0.000 0.000 0.467 255 N N -0.502 118.317 118.700 0.198 0.000 2.370 255 N HA 0.065 4.806 4.740 0.001 0.000 0.198 255 N C 0.066 175.718 175.510 0.237 0.000 1.156 255 N CA -0.617 52.545 53.050 0.187 0.000 0.839 255 N CB -0.983 37.581 38.487 0.128 0.000 0.989 255 N HN 0.306 8.686 8.380 -0.000 0.000 0.468 256 F N 1.912 121.973 119.950 0.184 0.000 2.537 256 F HA -0.003 4.524 4.527 0.001 0.000 0.402 256 F C 0.507 176.470 175.800 0.272 0.000 1.005 256 F CA 0.595 58.716 58.000 0.200 0.000 1.203 256 F CB 0.290 39.382 39.000 0.153 0.000 0.955 256 F HN 0.097 8.397 8.300 -0.000 0.000 0.547 257 S N 5.275 120.518 115.700 -0.761 0.000 2.689 257 S HA 0.390 4.860 4.470 0.001 0.000 0.274 257 S C 0.355 174.549 174.600 -0.678 0.000 1.176 257 S CA -0.697 57.239 58.200 -0.440 0.000 1.014 257 S CB 0.931 64.087 63.200 -0.074 0.000 1.071 257 S HN 0.525 8.835 8.310 -0.000 0.000 0.478 258 V N 5.520 125.211 119.914 -0.372 0.000 2.278 258 V HA -0.170 3.950 4.120 0.001 0.000 0.251 258 V C 1.992 178.147 176.094 0.102 0.000 1.062 258 V CA 2.710 64.981 62.300 -0.047 0.000 1.038 258 V CB -1.201 30.724 31.823 0.170 0.000 0.646 258 V HN 0.913 9.103 8.190 -0.000 0.000 0.447 259 F N 1.305 121.344 119.950 0.149 0.000 2.063 259 F HA -0.305 4.223 4.527 0.001 0.000 0.298 259 F C 2.595 178.439 175.800 0.074 0.000 1.105 259 F CA 2.378 60.501 58.000 0.205 0.000 1.215 259 F CB -0.317 38.779 39.000 0.161 0.000 0.972 259 F HN 0.108 8.408 8.300 -0.000 0.000 0.483 260 S N 0.150 115.921 115.700 0.120 0.000 2.371 260 S HA -0.135 4.335 4.470 0.001 0.000 0.224 260 S C 1.765 176.324 174.600 -0.069 0.000 1.029 260 S CA 0.978 59.205 58.200 0.046 0.000 0.978 260 S CB -0.629 62.595 63.200 0.040 0.000 0.833 260 S HN 0.349 8.659 8.310 -0.000 0.000 0.466 261 L N 2.558 123.703 121.223 -0.131 0.000 1.970 261 L HA -0.055 4.286 4.340 0.001 0.000 0.212 261 L C 1.955 178.731 176.870 -0.157 0.000 1.071 261 L CA 1.750 56.488 54.840 -0.169 0.000 0.751 261 L CB -0.863 41.108 42.059 -0.147 0.000 0.889 261 L HN 0.291 8.521 8.230 -0.000 0.000 0.432 262 I N -0.630 119.870 120.570 -0.115 0.000 2.264 262 I HA -0.316 3.854 4.170 0.001 0.000 0.248 262 I C 2.718 178.748 176.117 -0.145 0.000 1.111 262 I CA 1.500 62.741 61.300 -0.098 0.000 1.382 262 I CB -0.512 37.484 38.000 -0.006 0.000 1.060 262 I HN 0.408 8.618 8.210 -0.000 0.000 0.418 263 R N 1.288 121.649 120.500 -0.230 0.000 2.091 263 R HA -0.242 4.099 4.340 0.001 0.000 0.238 263 R C 2.212 178.493 176.300 -0.032 0.000 1.136 263 R CA 1.986 57.979 56.100 -0.178 0.000 0.959 263 R CB -0.221 29.968 30.300 -0.185 0.000 0.856 263 R HN 0.404 8.674 8.270 -0.000 0.000 0.437 264 E N 0.325 120.497 120.200 -0.047 0.000 2.028 264 E HA -0.198 4.152 4.350 0.001 0.000 0.191 264 E C 2.123 178.701 176.600 -0.037 0.000 0.988 264 E CA 1.506 57.891 56.400 -0.026 0.000 0.799 264 E CB -0.081 29.590 29.700 -0.047 0.000 0.755 264 E HN 0.380 8.740 8.360 -0.000 0.000 0.447 265 M N -0.001 119.548 119.600 -0.084 0.000 2.143 265 M HA -0.227 4.253 4.480 0.001 0.000 0.258 265 M C 2.370 178.655 176.300 -0.024 0.000 1.071 265 M CA 1.549 56.807 55.300 -0.070 0.000 1.088 265 M CB -0.313 32.220 32.600 -0.113 0.000 1.360 265 M HN 0.013 8.303 8.290 -0.000 0.000 0.404 266 R N -0.172 120.332 120.500 0.006 0.000 2.235 266 R HA -0.056 4.285 4.340 0.001 0.000 0.213 266 R C 2.155 178.559 176.300 0.174 0.000 1.059 266 R CA 1.566 57.712 56.100 0.076 0.000 0.997 266 R CB -0.229 30.119 30.300 0.079 0.000 0.884 266 R HN 0.517 8.787 8.270 -0.000 0.000 0.462 267 T N -2.780 111.813 114.554 0.064 0.000 3.113 267 T HA 0.006 4.356 4.350 0.001 0.000 0.256 267 T C 1.519 176.105 174.700 -0.190 0.000 1.131 267 T CA 0.515 62.490 62.100 -0.208 0.000 1.074 267 T CB 0.236 68.972 68.868 -0.221 0.000 0.944 267 T HN 0.221 8.461 8.240 -0.000 0.000 0.516 268 Q N 0.070 119.882 119.800 0.020 0.000 2.390 268 Q HA 0.315 4.656 4.340 0.001 0.000 0.216 268 Q C 0.876 176.843 176.000 -0.054 0.000 0.916 268 Q CA 0.135 55.936 55.803 -0.003 0.000 0.911 268 Q CB 0.568 29.294 28.738 -0.020 0.000 1.035 268 Q HN 0.316 8.586 8.270 -0.000 0.000 0.541 269 R N 1.621 122.057 120.500 -0.107 0.000 2.532 269 R HA 0.302 4.643 4.340 0.001 0.000 0.297 269 R C -2.858 173.264 176.300 -0.297 0.000 0.984 269 R CA -2.374 53.567 56.100 -0.266 0.000 0.884 269 R CB 1.212 31.408 30.300 -0.173 0.000 1.182 269 R HN -0.181 8.089 8.270 -0.000 0.000 0.442 270 P HA -0.026 4.394 4.420 -0.000 0.000 0.265 270 P C -0.618 176.619 177.300 -0.105 0.000 1.187 270 P CA 0.543 63.454 63.100 -0.315 0.000 0.766 270 P CB 0.789 32.260 31.700 -0.382 0.000 0.820 271 S N -0.466 115.230 115.700 -0.007 0.000 3.490 271 S HA -0.166 4.305 4.470 0.001 0.000 0.301 271 S C 0.436 175.047 174.600 0.018 0.000 1.233 271 S CA 0.290 58.497 58.200 0.012 0.000 0.914 271 S CB -1.868 61.335 63.200 0.006 0.000 1.047 271 S HN 0.461 8.771 8.310 -0.000 0.000 0.602 272 L N 1.739 122.963 121.223 0.001 0.000 2.455 272 L HA 0.223 4.564 4.340 0.001 0.000 0.272 272 L C 0.728 177.636 176.870 0.064 0.000 1.174 272 L CA -0.092 54.747 54.840 -0.002 0.000 0.869 272 L CB 0.596 42.638 42.059 -0.029 0.000 1.130 272 L HN 0.256 8.486 8.230 -0.000 0.000 0.474 273 V N 3.628 123.584 119.914 0.072 0.000 3.585 273 V HA -0.266 3.855 4.120 0.001 0.000 0.489 273 V C 0.712 176.966 176.094 0.267 0.000 0.682 273 V CA 0.498 62.890 62.300 0.153 0.000 2.013 273 V CB -0.966 30.998 31.823 0.234 0.000 2.442 273 V HN 0.990 9.180 8.190 -0.000 0.000 0.504 274 Q N 1.214 121.118 119.800 0.173 0.000 2.352 274 Q HA 0.179 4.519 4.340 0.001 0.000 0.212 274 Q C 0.873 176.988 176.000 0.192 0.000 0.888 274 Q CA 0.947 56.900 55.803 0.251 0.000 0.934 274 Q CB 1.155 29.972 28.738 0.131 0.000 1.093 274 Q HN 1.055 9.325 8.270 -0.000 0.000 0.523 275 T N -3.640 110.779 114.554 -0.224 0.000 2.900 275 T HA 0.143 4.493 4.350 0.001 0.000 0.295 275 T C 0.675 174.649 174.700 -1.209 0.000 1.044 275 T CA -0.779 60.937 62.100 -0.640 0.000 0.995 275 T CB 1.932 70.684 68.868 -0.193 0.000 1.072 275 T HN 0.165 8.405 8.240 -0.000 0.000 0.473 276 Q N 1.245 120.206 119.800 -1.399 0.000 2.152 276 Q HA -0.254 4.086 4.340 0.001 0.000 0.206 276 Q C 1.248 177.083 176.000 -0.276 0.000 0.985 276 Q CA 2.311 57.723 55.803 -0.651 0.000 0.863 276 Q CB -0.433 28.151 28.738 -0.257 0.000 0.904 276 Q HN 0.797 9.067 8.270 -0.000 0.000 0.422 277 E N 1.067 121.124 120.200 -0.238 0.000 2.085 277 E HA -0.200 4.150 4.350 0.001 0.000 0.194 277 E C 2.057 178.580 176.600 -0.129 0.000 0.994 277 E CA 1.779 58.084 56.400 -0.159 0.000 0.801 277 E CB -0.157 29.490 29.700 -0.087 0.000 0.743 277 E HN 0.533 8.893 8.360 -0.000 0.000 0.453 278 Q N -0.926 118.824 119.800 -0.084 0.000 2.124 278 Q HA -0.189 4.151 4.340 0.001 0.000 0.202 278 Q C 1.866 177.873 176.000 0.012 0.000 0.977 278 Q CA 1.335 57.142 55.803 0.007 0.000 0.850 278 Q CB -0.241 28.527 28.738 0.049 0.000 0.901 278 Q HN 0.374 8.644 8.270 -0.000 0.000 0.429 279 Y N 1.881 122.110 120.300 -0.117 0.000 2.097 279 Y HA -0.279 4.272 4.550 0.001 0.000 0.282 279 Y C 1.824 177.672 175.900 -0.087 0.000 1.152 279 Y CA 2.064 60.156 58.100 -0.015 0.000 1.136 279 Y CB -0.026 38.493 38.460 0.097 0.000 0.975 279 Y HN 0.121 8.401 8.280 -0.000 0.000 0.498 280 E N -0.070 119.910 120.200 -0.368 0.000 2.049 280 E HA -0.296 4.055 4.350 0.001 0.000 0.198 280 E C 2.088 178.517 176.600 -0.286 0.000 1.007 280 E CA 1.499 57.476 56.400 -0.706 0.000 0.809 280 E CB -0.674 28.481 29.700 -0.910 0.000 0.749 280 E HN 0.415 8.775 8.360 -0.000 0.000 0.450 281 L N 1.251 122.355 121.223 -0.198 0.000 2.034 281 L HA -0.244 4.096 4.340 0.001 0.000 0.217 281 L C 2.349 179.161 176.870 -0.097 0.000 1.077 281 L CA 1.630 56.389 54.840 -0.135 0.000 0.769 281 L CB -0.501 41.479 42.059 -0.132 0.000 0.890 281 L HN 0.003 8.233 8.230 -0.000 0.000 0.435 282 V N -1.383 118.484 119.914 -0.079 0.000 2.295 282 V HA -0.347 3.773 4.120 0.001 0.000 0.246 282 V C 2.219 178.299 176.094 -0.023 0.000 1.049 282 V CA 2.046 64.319 62.300 -0.045 0.000 1.024 282 V CB -1.059 30.742 31.823 -0.036 0.000 0.648 282 V HN 0.627 8.817 8.190 -0.000 0.000 0.447 283 Y N 2.011 122.216 120.300 -0.159 0.000 2.081 283 Y HA -0.315 4.235 4.550 0.001 0.000 0.280 283 Y C 2.585 178.501 175.900 0.026 0.000 1.163 283 Y CA 2.384 60.463 58.100 -0.035 0.000 1.135 283 Y CB -0.366 38.094 38.460 0.000 0.000 0.970 283 Y HN 0.283 8.563 8.280 -0.000 0.000 0.498 284 N N 0.379 119.077 118.700 -0.003 0.000 2.120 284 N HA -0.169 4.572 4.740 0.001 0.000 0.188 284 N C 1.979 177.421 175.510 -0.113 0.000 1.024 284 N CA 1.436 54.453 53.050 -0.055 0.000 0.852 284 N CB -0.887 37.605 38.487 0.009 0.000 1.003 284 N HN 0.550 8.930 8.380 -0.000 0.000 0.424 285 A N 0.791 123.550 122.820 -0.102 0.000 1.883 285 A HA -0.111 4.210 4.320 0.001 0.000 0.217 285 A C 2.508 180.021 177.584 -0.119 0.000 1.186 285 A CA 1.553 53.523 52.037 -0.112 0.000 0.624 285 A CB -0.901 18.043 19.000 -0.093 0.000 0.822 285 A HN 0.107 8.257 8.150 -0.000 0.000 0.444 286 V N -0.481 119.385 119.914 -0.080 0.000 2.343 286 V HA -0.239 3.882 4.120 0.001 0.000 0.247 286 V C 2.504 178.608 176.094 0.016 0.000 1.051 286 V CA 1.995 64.289 62.300 -0.009 0.000 1.036 286 V CB -0.756 31.117 31.823 0.084 0.000 0.654 286 V HN 0.575 8.765 8.190 -0.000 0.000 0.451 287 L N 0.224 121.365 121.223 -0.137 0.000 2.141 287 L HA -0.132 4.209 4.340 0.001 0.000 0.209 287 L C 2.408 179.262 176.870 -0.026 0.000 1.094 287 L CA 2.060 56.837 54.840 -0.106 0.000 0.763 287 L CB -0.433 41.452 42.059 -0.290 0.000 0.908 287 L HN 0.390 8.620 8.230 -0.000 0.000 0.437 288 E N -0.384 119.769 120.200 -0.078 0.000 2.106 288 E HA -0.189 4.161 4.350 0.001 0.000 0.192 288 E C 2.076 178.594 176.600 -0.138 0.000 0.984 288 E CA 1.446 57.790 56.400 -0.093 0.000 0.806 288 E CB -0.353 29.278 29.700 -0.115 0.000 0.750 288 E HN 0.553 8.913 8.360 -0.000 0.000 0.458 289 L N -0.517 120.582 121.223 -0.207 0.000 2.083 289 L HA -0.113 4.227 4.340 0.001 0.000 0.209 289 L C 2.111 178.850 176.870 -0.219 0.000 1.083 289 L CA 0.857 55.471 54.840 -0.377 0.000 0.752 289 L CB -0.412 41.309 42.059 -0.563 0.000 0.899 289 L HN 0.161 8.391 8.230 -0.000 0.000 0.433 290 F N 0.513 120.324 119.950 -0.232 0.000 2.075 290 F HA -0.226 4.302 4.527 0.001 0.000 0.297 290 F C 2.628 178.373 175.800 -0.092 0.000 1.113 290 F CA 1.559 59.464 58.000 -0.158 0.000 1.218 290 F CB -0.326 38.616 39.000 -0.096 0.000 0.984 290 F HN -0.125 8.175 8.300 -0.000 0.000 0.472 291 K N 0.160 120.635 120.400 0.124 0.000 2.015 291 K HA -0.235 4.086 4.320 0.001 0.000 0.216 291 K C 2.101 178.701 176.600 -0.001 0.000 1.052 291 K CA 2.003 58.319 56.287 0.048 0.000 0.937 291 K CB -0.146 32.362 32.500 0.013 0.000 0.719 291 K HN 0.133 8.383 8.250 -0.000 0.000 0.446 292 R N -0.253 120.216 120.500 -0.051 0.000 2.189 292 R HA -0.121 4.220 4.340 0.001 0.000 0.223 292 R C 2.264 178.547 176.300 -0.027 0.000 1.092 292 R CA 1.020 57.089 56.100 -0.052 0.000 0.989 292 R CB -0.087 30.154 30.300 -0.098 0.000 0.876 292 R HN 0.199 8.469 8.270 -0.000 0.000 0.457 293 Q N 0.158 119.922 119.800 -0.060 0.000 2.212 293 Q HA 0.042 4.383 4.340 0.001 0.000 0.199 293 Q C 1.907 177.891 176.000 -0.026 0.000 0.950 293 Q CA 1.024 56.794 55.803 -0.054 0.000 0.863 293 Q CB 0.169 28.810 28.738 -0.161 0.000 0.944 293 Q HN 0.081 8.351 8.270 -0.000 0.000 0.465 294 M N 0.590 120.185 119.600 -0.008 0.000 2.108 294 M HA -0.168 4.312 4.480 0.001 0.000 0.261 294 M C 1.171 177.479 176.300 0.014 0.000 1.066 294 M CA 1.518 56.828 55.300 0.015 0.000 1.107 294 M CB -1.001 31.624 32.600 0.042 0.000 1.356 294 M HN 0.180 8.470 8.290 -0.000 0.000 0.406 295 D N -0.028 120.379 120.400 0.013 0.000 2.116 295 D HA -0.142 4.498 4.640 0.001 0.000 0.193 295 D C 2.177 178.491 176.300 0.023 0.000 0.998 295 D CA 1.207 55.216 54.000 0.015 0.000 0.836 295 D CB -0.348 40.459 40.800 0.012 0.000 0.951 295 D HN 0.162 8.532 8.370 -0.000 0.000 0.449 296 V N 0.652 120.584 119.914 0.030 0.000 2.407 296 V HA -0.217 3.904 4.120 0.001 0.000 0.248 296 V C 2.422 178.532 176.094 0.026 0.000 1.055 296 V CA 1.055 63.380 62.300 0.042 0.000 1.049 296 V CB -0.358 31.501 31.823 0.060 0.000 0.662 296 V HN 0.182 8.372 8.190 -0.000 0.000 0.455 297 I N -0.895 119.684 120.570 0.015 0.000 2.127 297 I HA -0.189 3.982 4.170 0.001 0.000 0.241 297 I C 1.763 177.889 176.117 0.015 0.000 1.075 297 I CA 1.373 62.680 61.300 0.012 0.000 1.334 297 I CB -0.192 37.812 38.000 0.007 0.000 1.040 297 I HN 0.242 8.451 8.210 -0.000 0.000 0.405 298 R N 0.000 120.510 120.500 0.016 0.000 2.786 298 R HA 0.000 4.341 4.340 0.001 0.000 0.208 298 R CA 0.000 56.109 56.100 0.015 0.000 0.921 298 R CB 0.000 30.309 30.300 0.015 0.000 0.687 298 R HN 0.000 8.270 8.270 -0.000 0.000 0.535