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 3i2w_1_B DATA FIRST_RESID 14 DATA SEQUENCE SDSFWEPGNY KRTTKRIEDG YKLCNDLQQL IQERADIEKG YAKSLRTWSK DATA SEQUENCE KWGELIEKGP EYGTTEAAWK GVLTESERIS DVHXKIKDNL CNDVNSQIKT DATA SEQUENCE WQKENYHHTL XQIKERKDLE DLFKKAQKPW AKLLAKVEKA KADYHSACKT DATA SEQUENCE ERSATNQERN ANADSSLSPD QVKKXHDRVQ KTKDQVQKCR EKYEQAIAEI DATA SEQUENCE TKYNSVYIED XTSVFEKCQT FEKTRLQFFK EILFNVHSCL DLTKVQSLPQ DATA SEQUENCE IYEEFSHTIN NADQQKDLKW WSNNHGINXA XNWPS 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 14 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 14 S C 0.000 174.632 174.600 0.053 0.000 1.055 14 S CA 0.000 58.237 58.200 0.063 0.000 1.107 14 S CB 0.000 63.246 63.200 0.076 0.000 0.593 15 D N 0.424 120.852 120.400 0.048 0.000 2.363 15 D HA 0.062 4.734 4.640 0.053 0.000 0.220 15 D C 0.825 177.154 176.300 0.048 0.000 0.994 15 D CA 0.504 54.525 54.000 0.036 0.000 0.890 15 D CB -0.406 40.413 40.800 0.031 0.000 0.906 15 D HN 0.494 8.864 8.370 -0.000 0.000 0.530 16 S N -0.029 115.721 115.700 0.084 0.000 2.575 16 S HA -0.099 4.402 4.470 0.053 0.000 0.295 16 S C 0.900 175.546 174.600 0.077 0.000 1.267 16 S CA -0.662 57.614 58.200 0.127 0.000 1.074 16 S CB -0.358 62.967 63.200 0.209 0.000 0.829 16 S HN 0.222 8.532 8.310 -0.000 0.000 0.497 17 F N 5.370 125.235 119.950 -0.142 0.000 2.106 17 F HA -0.213 4.346 4.527 0.053 0.000 0.299 17 F C 1.238 176.815 175.800 -0.371 0.000 1.082 17 F CA 2.166 59.947 58.000 -0.365 0.000 1.244 17 F CB -0.475 38.128 39.000 -0.662 0.000 0.997 17 F HN 0.793 9.093 8.300 -0.000 0.000 0.486 18 W N 0.391 121.600 121.300 -0.152 0.000 2.519 18 W HA -0.003 4.689 4.660 0.053 0.000 0.266 18 W C 1.120 177.584 176.519 -0.091 0.000 1.253 18 W CA 0.147 57.354 57.345 -0.230 0.000 1.274 18 W CB -0.486 28.941 29.460 -0.055 0.000 1.114 18 W HN -0.155 8.025 8.180 -0.000 0.000 0.596 19 E N 1.024 121.332 120.200 0.180 0.000 2.413 19 E HA 0.028 4.410 4.350 0.053 0.000 0.263 19 E C -2.152 174.525 176.600 0.127 0.000 1.015 19 E CA -1.828 54.692 56.400 0.201 0.000 0.916 19 E CB 0.157 29.924 29.700 0.112 0.000 0.947 19 E HN -0.256 8.104 8.360 -0.000 0.000 0.440 20 P HA 0.077 4.497 4.420 -0.000 0.000 0.266 20 P C 0.524 177.826 177.300 0.003 0.000 1.195 20 P CA 0.988 64.196 63.100 0.180 0.000 0.768 20 P CB 0.741 32.554 31.700 0.188 0.000 0.838 21 G N 3.099 111.855 108.800 -0.073 0.000 2.284 21 G HA2 -0.323 3.669 3.960 0.053 0.000 0.261 21 G HA3 -0.323 3.669 3.960 0.053 0.000 0.261 21 G C 1.157 175.645 174.900 -0.686 0.000 0.997 21 G CA 0.150 45.002 45.100 -0.414 0.000 0.621 21 G HN 0.497 8.787 8.290 -0.000 0.000 0.534 22 N N 0.384 118.819 118.700 -0.441 0.000 2.521 22 N HA 0.079 4.851 4.740 0.053 0.000 0.188 22 N C 1.622 176.890 175.510 -0.405 0.000 1.146 22 N CA 1.114 53.946 53.050 -0.363 0.000 0.893 22 N CB -0.434 37.926 38.487 -0.211 0.000 0.975 22 N HN 0.814 9.194 8.380 -0.000 0.000 0.451 23 Y N -0.540 119.487 120.300 -0.455 0.000 2.632 23 Y HA 0.195 4.777 4.550 0.053 0.000 0.301 23 Y C 1.446 177.161 175.900 -0.309 0.000 1.172 23 Y CA 0.208 57.969 58.100 -0.566 0.000 1.328 23 Y CB -0.257 37.389 38.460 -1.356 0.000 1.016 23 Y HN -0.123 8.157 8.280 -0.000 0.000 0.529 24 K N 0.990 121.126 120.400 -0.439 0.000 2.296 24 K HA -0.008 4.344 4.320 0.053 0.000 0.200 24 K C 1.822 178.395 176.600 -0.045 0.000 1.048 24 K CA 0.625 56.784 56.287 -0.213 0.000 0.966 24 K CB -0.072 32.244 32.500 -0.306 0.000 0.754 24 K HN 0.495 8.745 8.250 -0.000 0.000 0.466 25 R N 0.360 120.841 120.500 -0.032 0.000 2.096 25 R HA -0.077 4.295 4.340 0.053 0.000 0.235 25 R C 2.124 178.476 176.300 0.087 0.000 1.127 25 R CA 1.495 57.613 56.100 0.030 0.000 0.968 25 R CB -0.640 29.680 30.300 0.033 0.000 0.861 25 R HN 0.109 8.379 8.270 -0.000 0.000 0.440 26 T N 0.579 115.218 114.554 0.141 0.000 2.777 26 T HA -0.118 4.264 4.350 0.053 0.000 0.266 26 T C 2.099 176.924 174.700 0.208 0.000 1.040 26 T CA 1.925 64.149 62.100 0.207 0.000 1.141 26 T CB -0.284 68.792 68.868 0.347 0.000 0.868 26 T HN 0.534 8.774 8.240 -0.000 0.000 0.444 27 T N 0.661 115.351 114.554 0.226 0.000 2.857 27 T HA -0.005 4.377 4.350 0.053 0.000 0.266 27 T C 1.896 176.688 174.700 0.152 0.000 1.048 27 T CA 1.128 63.365 62.100 0.228 0.000 1.139 27 T CB -0.264 68.771 68.868 0.278 0.000 0.874 27 T HN 0.343 8.583 8.240 -0.000 0.000 0.455 28 K N 1.186 121.653 120.400 0.110 0.000 2.152 28 K HA -0.107 4.245 4.320 0.053 0.000 0.206 28 K C 2.644 179.301 176.600 0.096 0.000 1.048 28 K CA 1.057 57.393 56.287 0.082 0.000 0.933 28 K CB -0.204 32.327 32.500 0.051 0.000 0.721 28 K HN 0.397 8.647 8.250 -0.000 0.000 0.447 29 R N 0.772 121.338 120.500 0.109 0.000 2.115 29 R HA -0.077 4.295 4.340 0.053 0.000 0.230 29 R C 2.081 178.477 176.300 0.159 0.000 1.111 29 R CA 1.145 57.310 56.100 0.108 0.000 0.976 29 R CB -0.231 30.125 30.300 0.093 0.000 0.870 29 R HN 0.241 8.511 8.270 -0.000 0.000 0.445 30 I N 1.021 121.715 120.570 0.206 0.000 2.118 30 I HA -0.337 3.865 4.170 0.053 0.000 0.241 30 I C 2.526 178.812 176.117 0.281 0.000 1.070 30 I CA 2.061 63.547 61.300 0.309 0.000 1.327 30 I CB -0.388 37.754 38.000 0.236 0.000 1.034 30 I HN 0.379 8.589 8.210 -0.000 0.000 0.405 31 E N 0.887 121.180 120.200 0.154 0.000 2.150 31 E HA -0.240 4.142 4.350 0.053 0.000 0.193 31 E C 1.644 178.296 176.600 0.086 0.000 0.985 31 E CA 1.298 57.743 56.400 0.076 0.000 0.814 31 E CB 0.055 29.785 29.700 0.049 0.000 0.752 31 E HN 0.377 8.737 8.360 -0.000 0.000 0.466 32 D N 0.029 120.483 120.400 0.091 0.000 2.182 32 D HA -0.122 4.550 4.640 0.053 0.000 0.201 32 D C 1.784 178.124 176.300 0.065 0.000 0.986 32 D CA 1.263 55.306 54.000 0.071 0.000 0.847 32 D CB -0.540 40.293 40.800 0.055 0.000 0.942 32 D HN 0.396 8.766 8.370 -0.000 0.000 0.467 33 G N -0.230 108.636 108.800 0.109 0.000 2.404 33 G HA2 -0.313 3.679 3.960 0.053 0.000 0.215 33 G HA3 -0.313 3.679 3.960 0.053 0.000 0.215 33 G C 1.567 176.511 174.900 0.073 0.000 1.174 33 G CA 0.703 45.885 45.100 0.137 0.000 0.780 33 G HN 0.293 8.583 8.290 -0.000 0.000 0.537 34 Y N 1.538 121.581 120.300 -0.428 0.000 2.014 34 Y HA -0.262 4.320 4.550 0.054 0.000 0.272 34 Y C 2.904 178.733 175.900 -0.118 0.000 1.164 34 Y CA 2.603 60.362 58.100 -0.570 0.000 1.114 34 Y CB -0.346 37.688 38.460 -0.710 0.000 0.961 34 Y HN 0.146 8.426 8.280 -0.000 0.000 0.489 35 K N -0.006 120.408 120.400 0.023 0.000 2.059 35 K HA -0.243 4.109 4.320 0.053 0.000 0.212 35 K C 2.028 178.619 176.600 -0.016 0.000 1.050 35 K CA 2.300 58.581 56.287 -0.010 0.000 0.927 35 K CB -0.512 32.025 32.500 0.062 0.000 0.714 35 K HN 0.402 8.652 8.250 -0.000 0.000 0.447 36 L N 0.197 121.449 121.223 0.049 0.000 2.131 36 L HA -0.274 4.098 4.340 0.053 0.000 0.210 36 L C 2.536 179.562 176.870 0.260 0.000 1.092 36 L CA 0.868 55.795 54.840 0.145 0.000 0.759 36 L CB -0.617 41.514 42.059 0.121 0.000 0.903 36 L HN 0.357 8.587 8.230 -0.000 0.000 0.435 37 C N -0.067 119.385 119.300 0.254 0.000 2.413 37 C HA -0.158 4.334 4.460 0.053 0.000 0.277 37 C C 2.658 177.630 174.990 -0.030 0.000 1.228 37 C CA 0.804 59.920 59.018 0.164 0.000 1.731 37 C CB -1.186 26.663 27.740 0.182 0.000 2.042 37 C HN 0.588 8.818 8.230 -0.000 0.000 0.468 38 N N 1.306 119.913 118.700 -0.156 0.000 2.094 38 N HA -0.133 4.639 4.740 0.053 0.000 0.191 38 N C 1.172 176.646 175.510 -0.060 0.000 1.023 38 N CA 1.644 54.611 53.050 -0.137 0.000 0.857 38 N CB -0.637 37.740 38.487 -0.183 0.000 1.013 38 N HN 0.546 8.926 8.380 -0.000 0.000 0.426 39 D N 0.395 120.779 120.400 -0.027 0.000 2.097 39 D HA -0.093 4.579 4.640 0.053 0.000 0.195 39 D C 2.038 178.324 176.300 -0.022 0.000 0.989 39 D CA 0.375 54.370 54.000 -0.008 0.000 0.827 39 D CB -0.407 40.406 40.800 0.021 0.000 0.966 39 D HN 0.107 8.477 8.370 -0.000 0.000 0.456 40 L N 0.860 122.065 121.223 -0.031 0.000 2.083 40 L HA -0.153 4.219 4.340 0.053 0.000 0.209 40 L C 2.099 178.905 176.870 -0.106 0.000 1.083 40 L CA 1.663 56.443 54.840 -0.100 0.000 0.752 40 L CB -0.462 41.457 42.059 -0.234 0.000 0.899 40 L HN -0.004 8.226 8.230 -0.000 0.000 0.433 41 Q N -1.132 118.616 119.800 -0.087 0.000 2.046 41 Q HA -0.276 4.096 4.340 0.053 0.000 0.200 41 Q C 2.243 178.214 176.000 -0.048 0.000 0.975 41 Q CA 1.937 57.700 55.803 -0.067 0.000 0.836 41 Q CB -0.233 28.477 28.738 -0.045 0.000 0.896 41 Q HN 0.643 8.913 8.270 -0.000 0.000 0.428 42 Q N 0.691 120.467 119.800 -0.040 0.000 2.124 42 Q HA -0.183 4.189 4.340 0.053 0.000 0.202 42 Q C 2.085 178.068 176.000 -0.028 0.000 0.977 42 Q CA 1.035 56.821 55.803 -0.028 0.000 0.850 42 Q CB -0.094 28.630 28.738 -0.022 0.000 0.901 42 Q HN 0.458 8.728 8.270 -0.000 0.000 0.429 43 L N 0.048 121.250 121.223 -0.035 0.000 2.056 43 L HA -0.152 4.220 4.340 0.053 0.000 0.207 43 L C 2.165 179.012 176.870 -0.039 0.000 1.078 43 L CA 1.146 55.966 54.840 -0.035 0.000 0.749 43 L CB -0.154 41.881 42.059 -0.039 0.000 0.901 43 L HN 0.304 8.534 8.230 -0.000 0.000 0.433 44 I N -0.183 120.357 120.570 -0.051 0.000 2.202 44 I HA -0.302 3.900 4.170 0.053 0.000 0.242 44 I C 2.611 178.709 176.117 -0.030 0.000 1.091 44 I CA 1.349 62.619 61.300 -0.049 0.000 1.368 44 I CB -0.218 37.740 38.000 -0.069 0.000 1.058 44 I HN 0.393 8.603 8.210 -0.000 0.000 0.410 45 Q N 1.278 121.063 119.800 -0.026 0.000 2.096 45 Q HA -0.271 4.100 4.340 0.053 0.000 0.204 45 Q C 1.941 177.936 176.000 -0.007 0.000 0.982 45 Q CA 1.904 57.699 55.803 -0.014 0.000 0.850 45 Q CB -0.140 28.591 28.738 -0.011 0.000 0.901 45 Q HN 0.454 8.724 8.270 -0.000 0.000 0.422 46 E N -0.755 119.439 120.200 -0.011 0.000 2.051 46 E HA -0.236 4.146 4.350 0.053 0.000 0.192 46 E C 2.027 178.625 176.600 -0.004 0.000 0.991 46 E CA 1.114 57.510 56.400 -0.007 0.000 0.799 46 E CB -0.114 29.580 29.700 -0.010 0.000 0.748 46 E HN 0.141 8.501 8.360 -0.000 0.000 0.449 47 R N 1.099 121.594 120.500 -0.008 0.000 2.081 47 R HA -0.094 4.278 4.340 0.053 0.000 0.235 47 R C 1.947 178.254 176.300 0.013 0.000 1.131 47 R CA 1.720 57.818 56.100 -0.003 0.000 0.960 47 R CB -0.856 29.436 30.300 -0.013 0.000 0.856 47 R HN 0.147 8.417 8.270 -0.000 0.000 0.436 48 A N 0.606 123.431 122.820 0.009 0.000 1.986 48 A HA -0.199 4.153 4.320 0.053 0.000 0.220 48 A C 1.615 179.218 177.584 0.031 0.000 1.171 48 A CA 2.099 54.148 52.037 0.021 0.000 0.640 48 A CB -0.597 18.409 19.000 0.010 0.000 0.811 48 A HN 0.454 8.604 8.150 -0.000 0.000 0.451 49 D N -0.348 120.066 120.400 0.023 0.000 2.137 49 D HA -0.022 4.650 4.640 0.053 0.000 0.202 49 D C 1.820 178.142 176.300 0.037 0.000 0.970 49 D CA 0.805 54.821 54.000 0.027 0.000 0.837 49 D CB -0.355 40.455 40.800 0.017 0.000 0.981 49 D HN 0.501 8.871 8.370 -0.000 0.000 0.475 50 I N 1.544 122.133 120.570 0.032 0.000 2.264 50 I HA -0.244 3.958 4.170 0.053 0.000 0.248 50 I C 2.250 178.414 176.117 0.079 0.000 1.111 50 I CA 1.169 62.490 61.300 0.036 0.000 1.382 50 I CB -0.023 37.984 38.000 0.012 0.000 1.060 50 I HN -0.034 8.176 8.210 -0.000 0.000 0.418 51 E N 0.524 120.785 120.200 0.103 0.000 2.076 51 E HA -0.211 4.170 4.350 0.053 0.000 0.190 51 E C 2.057 178.752 176.600 0.159 0.000 0.979 51 E CA 0.695 57.208 56.400 0.188 0.000 0.807 51 E CB -0.314 29.512 29.700 0.209 0.000 0.761 51 E HN 0.444 8.804 8.360 -0.000 0.000 0.454 52 K N 0.721 121.179 120.400 0.098 0.000 2.074 52 K HA -0.155 4.197 4.320 0.053 0.000 0.209 52 K C 2.183 178.820 176.600 0.063 0.000 1.048 52 K CA 1.633 57.961 56.287 0.067 0.000 0.926 52 K CB -0.363 32.164 32.500 0.046 0.000 0.713 52 K HN 0.168 8.418 8.250 -0.000 0.000 0.444 53 G N -0.294 108.549 108.800 0.071 0.000 2.422 53 G HA2 -0.269 3.723 3.960 0.053 0.000 0.218 53 G HA3 -0.269 3.723 3.960 0.053 0.000 0.218 53 G C 1.319 176.275 174.900 0.094 0.000 1.140 53 G CA 0.672 45.812 45.100 0.065 0.000 0.775 53 G HN 0.395 8.685 8.290 -0.000 0.000 0.545 54 Y N 1.987 122.257 120.300 -0.051 0.000 2.184 54 Y HA 0.214 4.796 4.550 0.053 0.000 0.290 54 Y C 2.782 178.627 175.900 -0.093 0.000 1.129 54 Y CA 0.841 58.877 58.100 -0.107 0.000 1.144 54 Y CB -0.728 37.613 38.460 -0.198 0.000 0.995 54 Y HN 0.214 8.494 8.280 -0.000 0.000 0.513 55 A N 0.571 123.301 122.820 -0.150 0.000 1.902 55 A HA -0.229 4.123 4.320 0.053 0.000 0.217 55 A C 2.272 179.796 177.584 -0.100 0.000 1.181 55 A CA 2.142 54.057 52.037 -0.203 0.000 0.623 55 A CB -0.794 18.174 19.000 -0.054 0.000 0.818 55 A HN 0.458 8.608 8.150 -0.000 0.000 0.443 56 K N 0.078 120.461 120.400 -0.029 0.000 2.063 56 K HA -0.089 4.263 4.320 0.053 0.000 0.208 56 K C 2.160 178.766 176.600 0.010 0.000 1.048 56 K CA 1.914 58.202 56.287 0.000 0.000 0.928 56 K CB -0.351 32.160 32.500 0.019 0.000 0.713 56 K HN 0.357 8.607 8.250 -0.000 0.000 0.442 57 S N 0.536 116.239 115.700 0.007 0.000 2.368 57 S HA -0.049 4.453 4.470 0.053 0.000 0.224 57 S C 1.738 176.367 174.600 0.047 0.000 1.029 57 S CA 1.229 59.451 58.200 0.037 0.000 0.988 57 S CB -0.281 62.945 63.200 0.042 0.000 0.838 57 S HN 0.254 8.564 8.310 -0.000 0.000 0.462 58 L N 0.747 121.932 121.223 -0.064 0.000 2.042 58 L HA -0.140 4.232 4.340 0.053 0.000 0.210 58 L C 2.740 179.690 176.870 0.134 0.000 1.076 58 L CA 1.373 56.188 54.840 -0.043 0.000 0.749 58 L CB -0.355 41.542 42.059 -0.271 0.000 0.893 58 L HN 0.224 8.454 8.230 -0.000 0.000 0.432 59 R N -0.999 119.537 120.500 0.061 0.000 2.090 59 R HA -0.094 4.278 4.340 0.053 0.000 0.228 59 R C 2.287 178.654 176.300 0.112 0.000 1.110 59 R CA 1.674 57.818 56.100 0.074 0.000 0.973 59 R CB -0.335 29.980 30.300 0.025 0.000 0.869 59 R HN 0.317 8.587 8.270 -0.000 0.000 0.440 60 T N -0.130 114.496 114.554 0.121 0.000 2.746 60 T HA -0.210 4.172 4.350 0.053 0.000 0.267 60 T C 1.134 175.951 174.700 0.195 0.000 1.039 60 T CA 1.396 63.569 62.100 0.121 0.000 1.142 60 T CB -0.287 68.648 68.868 0.112 0.000 0.866 60 T HN 0.470 8.710 8.240 -0.000 0.000 0.444 61 W N 1.634 122.975 121.300 0.069 0.000 2.378 61 W HA -0.102 4.594 4.660 0.059 0.000 0.313 61 W C 2.833 179.477 176.519 0.209 0.000 1.197 61 W CA 1.290 58.733 57.345 0.163 0.000 1.304 61 W CB -0.735 28.805 29.460 0.135 0.000 1.148 61 W HN 0.175 8.355 8.180 -0.000 0.000 0.494 62 S N 0.168 116.016 115.700 0.246 0.000 2.399 62 S HA -0.251 4.251 4.470 0.053 0.000 0.231 62 S C 2.002 176.578 174.600 -0.041 0.000 1.022 62 S CA 1.843 60.041 58.200 -0.003 0.000 0.983 62 S CB -0.560 62.709 63.200 0.116 0.000 0.803 62 S HN 0.381 8.691 8.310 -0.000 0.000 0.480 63 K N 0.970 121.371 120.400 0.000 0.000 2.062 63 K HA -0.062 4.290 4.320 0.053 0.000 0.205 63 K C 2.285 178.832 176.600 -0.089 0.000 1.051 63 K CA 1.358 57.626 56.287 -0.033 0.000 0.941 63 K CB -0.245 32.248 32.500 -0.012 0.000 0.719 63 K HN 0.411 8.661 8.250 -0.000 0.000 0.440 64 K N -0.369 119.960 120.400 -0.118 0.000 1.985 64 K HA -0.174 4.178 4.320 0.053 0.000 0.210 64 K C 1.702 178.050 176.600 -0.421 0.000 1.047 64 K CA 1.862 57.992 56.287 -0.261 0.000 0.932 64 K CB -0.297 32.046 32.500 -0.263 0.000 0.716 64 K HN 0.239 8.489 8.250 -0.000 0.000 0.439 65 W N 0.615 121.727 121.300 -0.313 0.000 2.519 65 W HA 0.098 4.784 4.660 0.043 0.000 0.266 65 W C 2.131 178.514 176.519 -0.227 0.000 1.253 65 W CA 0.819 57.979 57.345 -0.309 0.000 1.274 65 W CB -0.370 28.762 29.460 -0.546 0.000 1.114 65 W HN 0.370 8.550 8.180 -0.000 0.000 0.596 66 G N 0.150 108.926 108.800 -0.039 0.000 2.421 66 G HA2 -0.309 3.683 3.960 0.053 0.000 0.216 66 G HA3 -0.309 3.683 3.960 0.053 0.000 0.216 66 G C 1.349 176.212 174.900 -0.061 0.000 1.171 66 G CA 1.257 46.333 45.100 -0.041 0.000 0.775 66 G HN 0.361 8.651 8.290 -0.000 0.000 0.543 67 E N 0.009 120.149 120.200 -0.100 0.000 2.072 67 E HA -0.024 4.358 4.350 0.053 0.000 0.191 67 E C 2.574 179.091 176.600 -0.138 0.000 0.985 67 E CA 0.369 56.701 56.400 -0.113 0.000 0.801 67 E CB -0.187 29.438 29.700 -0.124 0.000 0.750 67 E HN 0.438 8.798 8.360 -0.000 0.000 0.452 68 L N 0.808 121.906 121.223 -0.208 0.000 2.079 68 L HA -0.208 4.164 4.340 0.053 0.000 0.210 68 L C 2.547 179.353 176.870 -0.107 0.000 1.081 68 L CA 0.964 55.676 54.840 -0.214 0.000 0.752 68 L CB -0.407 41.380 42.059 -0.453 0.000 0.896 68 L HN 0.267 8.497 8.230 -0.000 0.000 0.433 69 I N -0.382 120.156 120.570 -0.053 0.000 2.226 69 I HA -0.267 3.935 4.170 0.053 0.000 0.245 69 I C 2.612 178.633 176.117 -0.161 0.000 1.100 69 I CA 1.056 62.263 61.300 -0.155 0.000 1.374 69 I CB -0.232 37.691 38.000 -0.128 0.000 1.057 69 I HN 0.263 8.473 8.210 -0.000 0.000 0.413 70 E N 1.786 121.923 120.200 -0.106 0.000 2.031 70 E HA -0.284 4.098 4.350 0.053 0.000 0.193 70 E C 2.107 178.662 176.600 -0.074 0.000 0.994 70 E CA 1.790 58.139 56.400 -0.084 0.000 0.800 70 E CB -0.150 29.510 29.700 -0.067 0.000 0.752 70 E HN 0.293 8.653 8.360 -0.000 0.000 0.447 71 K N -0.530 119.824 120.400 -0.077 0.000 2.228 71 K HA 0.052 4.404 4.320 0.053 0.000 0.202 71 K C 1.043 177.608 176.600 -0.059 0.000 1.051 71 K CA 0.804 57.053 56.287 -0.062 0.000 0.960 71 K CB -0.216 32.241 32.500 -0.072 0.000 0.743 71 K HN 0.178 8.428 8.250 -0.000 0.000 0.458 72 G N 0.786 109.537 108.800 -0.083 0.000 2.553 72 G HA2 0.140 4.132 3.960 0.053 0.000 0.278 72 G HA3 0.140 4.132 3.960 0.053 0.000 0.278 72 G C -1.861 173.001 174.900 -0.063 0.000 1.349 72 G CA -0.967 44.087 45.100 -0.077 0.000 1.037 72 G HN 0.104 8.394 8.290 -0.000 0.000 0.508 73 P HA 0.122 4.542 4.420 -0.000 0.000 0.241 73 P C 0.291 177.628 177.300 0.061 0.000 1.191 73 P CA 0.211 63.322 63.100 0.018 0.000 0.771 73 P CB 0.342 32.056 31.700 0.023 0.000 0.929 74 E N 0.962 121.105 120.200 -0.096 0.000 2.366 74 E HA 0.272 4.654 4.350 0.053 0.000 0.266 74 E C -0.556 176.050 176.600 0.009 0.000 1.051 74 E CA -0.422 55.902 56.400 -0.126 0.000 0.884 74 E CB 0.195 29.550 29.700 -0.575 0.000 1.006 74 E HN 0.134 8.494 8.360 -0.000 0.000 0.417 75 Y N 1.282 121.504 120.300 -0.131 0.000 2.677 75 Y HA 0.758 5.442 4.550 0.223 0.000 0.334 75 Y C 0.519 176.315 175.900 -0.174 0.000 1.154 75 Y CA -0.932 57.077 58.100 -0.151 0.000 1.070 75 Y CB 0.444 38.858 38.460 -0.077 0.000 1.294 75 Y HN 0.771 9.051 8.280 -0.000 0.000 0.475 76 G N 0.471 109.119 108.800 -0.254 0.000 2.601 76 G HA2 -0.242 3.750 3.960 0.053 0.000 0.252 76 G HA3 -0.242 3.750 3.960 0.053 0.000 0.252 76 G C 0.766 175.538 174.900 -0.214 0.000 1.294 76 G CA 0.937 45.858 45.100 -0.298 0.000 0.912 76 G HN 1.808 10.098 8.290 -0.000 0.000 0.574 77 T N -3.087 111.369 114.554 -0.162 0.000 3.035 77 T HA 0.081 4.463 4.350 0.053 0.000 0.268 77 T C 2.208 176.862 174.700 -0.078 0.000 1.109 77 T CA 2.443 64.484 62.100 -0.099 0.000 1.119 77 T CB -0.311 68.514 68.868 -0.072 0.000 0.900 77 T HN 0.729 8.969 8.240 -0.000 0.000 0.503 78 T N 1.635 116.113 114.554 -0.127 0.000 2.770 78 T HA 0.004 4.386 4.350 0.053 0.000 0.263 78 T C 1.742 176.480 174.700 0.063 0.000 1.039 78 T CA 1.222 63.298 62.100 -0.041 0.000 1.142 78 T CB -0.279 68.510 68.868 -0.131 0.000 0.868 78 T HN 0.555 8.795 8.240 -0.000 0.000 0.435 79 E N 0.876 121.015 120.200 -0.101 0.000 2.065 79 E HA -0.238 4.143 4.350 0.053 0.000 0.201 79 E C 2.404 179.012 176.600 0.013 0.000 1.016 79 E CA 1.346 57.674 56.400 -0.120 0.000 0.818 79 E CB -0.218 29.380 29.700 -0.170 0.000 0.749 79 E HN 0.459 8.819 8.360 -0.000 0.000 0.453 80 A N 1.019 123.833 122.820 -0.010 0.000 1.908 80 A HA -0.167 4.185 4.320 0.053 0.000 0.218 80 A C 2.384 180.015 177.584 0.078 0.000 1.181 80 A CA 2.042 54.090 52.037 0.018 0.000 0.627 80 A CB -0.823 18.168 19.000 -0.015 0.000 0.818 80 A HN 0.427 8.577 8.150 -0.000 0.000 0.445 81 A N -1.318 121.559 122.820 0.096 0.000 1.892 81 A HA -0.200 4.152 4.320 0.053 0.000 0.218 81 A C 1.925 179.639 177.584 0.217 0.000 1.188 81 A CA 1.655 53.771 52.037 0.133 0.000 0.631 81 A CB -0.966 18.082 19.000 0.081 0.000 0.822 81 A HN 0.728 8.878 8.150 -0.000 0.000 0.447 82 W N 0.441 121.741 121.300 -0.000 0.000 2.338 82 W HA -0.123 4.419 4.660 -0.197 0.000 0.304 82 W C 2.298 178.812 176.519 -0.008 0.000 1.212 82 W CA 1.679 59.023 57.345 -0.001 0.000 1.264 82 W CB -0.101 29.344 29.460 -0.025 0.000 1.142 82 W HN 0.212 8.392 8.180 -0.000 0.000 0.512 83 K N -0.474 120.063 120.400 0.229 0.000 2.097 83 K HA -0.054 4.298 4.320 0.053 0.000 0.205 83 K C 2.259 178.884 176.600 0.041 0.000 1.050 83 K CA 1.335 57.681 56.287 0.098 0.000 0.938 83 K CB -1.263 31.266 32.500 0.049 0.000 0.718 83 K HN 0.305 8.555 8.250 -0.000 0.000 0.442 84 G N 1.686 110.536 108.800 0.083 0.000 2.597 84 G HA2 -0.304 3.688 3.960 0.053 0.000 0.222 84 G HA3 -0.304 3.688 3.960 0.053 0.000 0.222 84 G C 1.666 176.387 174.900 -0.300 0.000 1.135 84 G CA 1.215 46.344 45.100 0.047 0.000 0.759 84 G HN 0.178 8.468 8.290 -0.000 0.000 0.595 85 V N 0.750 120.551 119.914 -0.189 0.000 2.427 85 V HA -0.073 4.079 4.120 0.053 0.000 0.248 85 V C 2.892 178.868 176.094 -0.198 0.000 1.051 85 V CA 1.607 63.699 62.300 -0.346 0.000 1.048 85 V CB -0.194 31.637 31.823 0.013 0.000 0.666 85 V HN 0.425 8.615 8.190 -0.000 0.000 0.456 86 L N -1.044 120.118 121.223 -0.103 0.000 2.093 86 L HA -0.127 4.245 4.340 0.053 0.000 0.208 86 L C 2.557 179.385 176.870 -0.069 0.000 1.085 86 L CA 1.703 56.509 54.840 -0.058 0.000 0.755 86 L CB -1.199 40.809 42.059 -0.084 0.000 0.904 86 L HN 0.284 8.514 8.230 -0.000 0.000 0.435 87 T N -0.639 113.843 114.554 -0.121 0.000 2.708 87 T HA -0.213 4.169 4.350 0.053 0.000 0.266 87 T C 1.845 176.429 174.700 -0.192 0.000 1.037 87 T CA 1.398 63.422 62.100 -0.126 0.000 1.146 87 T CB -0.148 68.659 68.868 -0.101 0.000 0.865 87 T HN 0.335 8.575 8.240 -0.000 0.000 0.435 88 E N 1.306 121.284 120.200 -0.371 0.000 2.065 88 E HA -0.200 4.182 4.350 0.053 0.000 0.201 88 E C 2.364 178.829 176.600 -0.224 0.000 1.016 88 E CA 1.966 58.097 56.400 -0.449 0.000 0.818 88 E CB -0.291 28.935 29.700 -0.791 0.000 0.749 88 E HN 0.607 8.967 8.360 -0.000 0.000 0.453 89 S N -0.459 115.169 115.700 -0.120 0.000 2.474 89 S HA -0.078 4.424 4.470 0.053 0.000 0.235 89 S C 1.746 176.316 174.600 -0.051 0.000 0.997 89 S CA 0.952 59.125 58.200 -0.044 0.000 0.949 89 S CB -0.053 63.230 63.200 0.138 0.000 0.766 89 S HN 0.269 8.579 8.310 -0.000 0.000 0.517 90 E N 0.825 120.995 120.200 -0.050 0.000 2.086 90 E HA 0.073 4.455 4.350 0.053 0.000 0.190 90 E C 2.377 178.950 176.600 -0.045 0.000 0.975 90 E CA 0.299 56.676 56.400 -0.038 0.000 0.813 90 E CB 0.039 29.722 29.700 -0.028 0.000 0.768 90 E HN 0.358 8.718 8.360 -0.000 0.000 0.457 91 R N 0.572 121.035 120.500 -0.062 0.000 2.115 91 R HA -0.068 4.304 4.340 0.053 0.000 0.230 91 R C 2.160 178.450 176.300 -0.016 0.000 1.111 91 R CA 0.667 56.739 56.100 -0.047 0.000 0.976 91 R CB -0.212 30.041 30.300 -0.079 0.000 0.870 91 R HN 0.237 8.507 8.270 -0.000 0.000 0.445 92 I N 1.048 121.604 120.570 -0.023 0.000 2.286 92 I HA -0.206 3.996 4.170 0.053 0.000 0.245 92 I C 2.543 178.697 176.117 0.063 0.000 1.104 92 I CA 1.471 62.801 61.300 0.049 0.000 1.397 92 I CB -1.211 36.804 38.000 0.025 0.000 1.072 92 I HN 0.150 8.360 8.210 -0.000 0.000 0.417 93 S N 0.654 116.319 115.700 -0.058 0.000 2.382 93 S HA -0.201 4.301 4.470 0.053 0.000 0.228 93 S C 1.603 176.214 174.600 0.018 0.000 1.027 93 S CA 1.393 59.548 58.200 -0.075 0.000 0.991 93 S CB -0.399 62.739 63.200 -0.103 0.000 0.823 93 S HN 0.353 8.663 8.310 -0.000 0.000 0.469 94 D N 1.627 122.036 120.400 0.014 0.000 2.084 94 D HA -0.036 4.636 4.640 0.053 0.000 0.194 94 D C 2.237 178.555 176.300 0.030 0.000 0.990 94 D CA 1.214 55.225 54.000 0.018 0.000 0.826 94 D CB -0.895 39.909 40.800 0.005 0.000 0.971 94 D HN 0.309 8.679 8.370 -0.000 0.000 0.453 95 V N 1.010 120.946 119.914 0.036 0.000 2.250 95 V HA -0.268 3.884 4.120 0.053 0.000 0.253 95 V C 1.049 177.122 176.094 -0.034 0.000 1.065 95 V CA 1.713 64.010 62.300 -0.005 0.000 1.039 95 V CB -0.660 31.162 31.823 -0.002 0.000 0.647 95 V HN 0.277 8.467 8.190 -0.000 0.000 0.446 99 I N 2.169 122.723 120.570 -0.027 0.000 2.286 99 I HA -0.201 4.001 4.170 0.053 0.000 0.245 99 I C 2.429 178.543 176.117 -0.004 0.000 1.104 99 I CA 1.055 62.334 61.300 -0.034 0.000 1.397 99 I CB -0.232 37.726 38.000 -0.070 0.000 1.072 99 I HN 0.132 8.342 8.210 -0.000 0.000 0.417 100 K N 1.097 121.510 120.400 0.022 0.000 2.074 100 K HA -0.259 4.093 4.320 0.053 0.000 0.209 100 K C 1.422 178.029 176.600 0.012 0.000 1.048 100 K CA 2.100 58.402 56.287 0.025 0.000 0.926 100 K CB -0.146 32.379 32.500 0.041 0.000 0.713 100 K HN 0.261 8.511 8.250 -0.000 0.000 0.444 101 D N 0.261 120.667 120.400 0.009 0.000 2.162 101 D HA -0.059 4.613 4.640 0.053 0.000 0.205 101 D C 1.707 178.008 176.300 0.002 0.000 0.964 101 D CA 0.605 54.609 54.000 0.007 0.000 0.847 101 D CB -0.330 40.475 40.800 0.008 0.000 0.988 101 D HN 0.196 8.566 8.370 -0.000 0.000 0.480 102 N N 0.640 119.337 118.700 -0.004 0.000 2.104 102 N HA -0.111 4.661 4.740 0.053 0.000 0.190 102 N C 2.033 177.536 175.510 -0.011 0.000 1.024 102 N CA 0.548 53.593 53.050 -0.008 0.000 0.853 102 N CB -0.393 38.085 38.487 -0.014 0.000 1.008 102 N HN 0.252 8.632 8.380 -0.000 0.000 0.424 103 L N -0.082 121.133 121.223 -0.014 0.000 2.056 103 L HA -0.139 4.233 4.340 0.053 0.000 0.207 103 L C 2.211 179.072 176.870 -0.016 0.000 1.078 103 L CA 0.879 55.707 54.840 -0.021 0.000 0.749 103 L CB -0.373 41.674 42.059 -0.020 0.000 0.901 103 L HN 0.213 8.443 8.230 -0.000 0.000 0.433 104 C N -0.124 119.172 119.300 -0.006 0.000 2.464 104 C HA 0.003 4.495 4.460 0.053 0.000 0.278 104 C C 2.142 177.135 174.990 0.004 0.000 1.375 104 C CA 0.353 59.371 59.018 -0.001 0.000 1.761 104 C CB -0.931 26.811 27.740 0.004 0.000 1.944 104 C HN 0.611 8.841 8.230 -0.000 0.000 0.509 105 N N 0.066 118.770 118.700 0.006 0.000 2.317 105 N HA 0.013 4.785 4.740 0.053 0.000 0.199 105 N C 0.659 176.178 175.510 0.014 0.000 1.145 105 N CA 0.396 53.454 53.050 0.013 0.000 0.882 105 N CB -0.192 38.304 38.487 0.014 0.000 1.113 105 N HN 0.421 8.801 8.380 -0.000 0.000 0.486 106 D N 0.874 121.278 120.400 0.007 0.000 2.144 106 D HA 0.021 4.693 4.640 0.053 0.000 0.207 106 D C 2.040 178.341 176.300 0.002 0.000 0.970 106 D CA 0.860 54.864 54.000 0.007 0.000 0.853 106 D CB 0.257 41.058 40.800 0.001 0.000 1.007 106 D HN -0.043 8.327 8.370 -0.000 0.000 0.469 107 V N 1.002 120.906 119.914 -0.016 0.000 2.403 107 V HA -0.046 4.105 4.120 0.053 0.000 0.239 107 V C 2.006 178.078 176.094 -0.035 0.000 1.041 107 V CA 0.835 63.110 62.300 -0.042 0.000 1.051 107 V CB -0.502 31.281 31.823 -0.067 0.000 0.704 107 V HN 0.014 8.204 8.190 -0.000 0.000 0.472 108 N N 1.276 119.960 118.700 -0.027 0.000 2.104 108 N HA -0.158 4.614 4.740 0.053 0.000 0.190 108 N C 2.139 177.661 175.510 0.021 0.000 1.024 108 N CA 1.948 54.987 53.050 -0.018 0.000 0.853 108 N CB -0.425 38.051 38.487 -0.017 0.000 1.008 108 N HN 0.619 8.999 8.380 -0.000 0.000 0.424 109 S N 0.202 115.922 115.700 0.034 0.000 2.383 109 S HA -0.179 4.323 4.470 0.053 0.000 0.229 109 S C 1.863 176.522 174.600 0.098 0.000 1.030 109 S CA 0.956 59.191 58.200 0.059 0.000 1.002 109 S CB -0.455 62.776 63.200 0.051 0.000 0.829 109 S HN 0.346 8.656 8.310 -0.000 0.000 0.467 110 Q N 0.784 120.645 119.800 0.102 0.000 2.020 110 Q HA -0.023 4.349 4.340 0.053 0.000 0.202 110 Q C 2.326 178.496 176.000 0.283 0.000 0.982 110 Q CA 1.884 57.794 55.803 0.179 0.000 0.838 110 Q CB -0.417 28.409 28.738 0.147 0.000 0.899 110 Q HN 0.647 8.917 8.270 -0.000 0.000 0.423 111 I N 0.645 121.346 120.570 0.218 0.000 2.179 111 I HA -0.306 3.896 4.170 0.053 0.000 0.242 111 I C 2.477 178.740 176.117 0.243 0.000 1.088 111 I CA 1.207 62.664 61.300 0.262 0.000 1.357 111 I CB -0.339 37.687 38.000 0.043 0.000 1.051 111 I HN 0.158 8.368 8.210 -0.000 0.000 0.409 112 K N 0.569 121.061 120.400 0.153 0.000 2.127 112 K HA -0.221 4.131 4.320 0.053 0.000 0.208 112 K C 2.044 178.751 176.600 0.177 0.000 1.047 112 K CA 2.031 58.401 56.287 0.138 0.000 0.927 112 K CB -0.122 32.431 32.500 0.089 0.000 0.716 112 K HN 0.206 8.456 8.250 -0.000 0.000 0.450 113 T N -0.553 114.117 114.554 0.194 0.000 2.770 113 T HA -0.120 4.262 4.350 0.053 0.000 0.258 113 T C 1.067 175.885 174.700 0.196 0.000 1.039 113 T CA 1.237 63.440 62.100 0.171 0.000 1.143 113 T CB -0.341 68.619 68.868 0.155 0.000 0.866 113 T HN 0.514 8.754 8.240 -0.000 0.000 0.428 114 W N 1.972 123.270 121.300 -0.002 0.000 2.338 114 W HA -0.180 4.513 4.660 0.054 0.000 0.304 114 W C 2.605 179.116 176.519 -0.013 0.000 1.212 114 W CA 1.688 58.950 57.345 -0.139 0.000 1.264 114 W CB -0.193 28.972 29.460 -0.492 0.000 1.142 114 W HN 0.297 8.477 8.180 -0.000 0.000 0.512 115 Q N 0.760 120.868 119.800 0.512 0.000 2.084 115 Q HA -0.289 4.083 4.340 0.053 0.000 0.202 115 Q C 2.330 178.535 176.000 0.342 0.000 0.978 115 Q CA 2.004 58.139 55.803 0.554 0.000 0.844 115 Q CB -0.493 28.507 28.738 0.437 0.000 0.898 115 Q HN 0.300 8.570 8.270 -0.000 0.000 0.426 116 K N 0.196 120.714 120.400 0.197 0.000 2.103 116 K HA -0.201 4.151 4.320 0.053 0.000 0.207 116 K C 1.550 178.097 176.600 -0.088 0.000 1.048 116 K CA 1.737 58.079 56.287 0.091 0.000 0.930 116 K CB 0.060 32.612 32.500 0.086 0.000 0.716 116 K HN 0.285 8.535 8.250 -0.000 0.000 0.444 117 E N -0.490 119.637 120.200 -0.122 0.000 2.318 117 E HA 0.004 4.386 4.350 0.053 0.000 0.193 117 E C 0.964 177.384 176.600 -0.300 0.000 0.998 117 E CA 0.381 56.671 56.400 -0.184 0.000 0.859 117 E CB 0.344 29.933 29.700 -0.185 0.000 0.812 117 E HN 0.327 8.687 8.360 -0.000 0.000 0.492 118 N N -0.574 117.830 118.700 -0.493 0.000 2.184 118 N HA 0.050 4.822 4.740 0.053 0.000 0.206 118 N C -0.979 174.046 175.510 -0.809 0.000 1.151 118 N CA 0.240 52.879 53.050 -0.685 0.000 0.878 118 N CB 0.935 38.768 38.487 -1.090 0.000 1.014 118 N HN 0.046 8.426 8.380 -0.000 0.000 0.512 119 Y N 0.305 120.405 120.300 -0.333 0.000 2.386 119 Y HA 0.389 4.971 4.550 0.053 0.000 0.334 119 Y C -0.013 175.498 175.900 -0.647 0.000 1.002 119 Y CA -0.793 57.111 58.100 -0.325 0.000 1.068 119 Y CB 1.082 39.484 38.460 -0.096 0.000 1.203 119 Y HN -0.064 8.216 8.280 -0.000 0.000 0.443 120 H N 2.141 121.112 119.070 -0.165 0.000 2.679 120 H HA 0.452 5.040 4.556 0.053 0.000 0.367 120 H C -0.934 174.230 175.328 -0.272 0.000 1.162 120 H CA -0.837 55.142 56.048 -0.115 0.000 1.181 120 H CB 2.172 31.892 29.762 -0.070 0.000 1.693 120 H HN 0.711 8.991 8.280 -0.000 0.000 0.538 121 H N 1.695 120.808 119.070 0.072 0.000 2.762 121 H HA 0.290 4.878 4.556 0.053 0.000 0.310 121 H C -0.524 174.816 175.328 0.019 0.000 1.004 121 H CA -0.388 55.662 56.048 0.004 0.000 1.267 121 H CB 1.230 30.974 29.762 -0.030 0.000 1.437 121 H HN 0.474 8.754 8.280 -0.000 0.000 0.498 122 T N 3.747 118.352 114.554 0.084 0.000 2.900 122 T HA 0.391 4.773 4.350 0.053 0.000 0.295 122 T C 0.148 174.872 174.700 0.040 0.000 1.044 122 T CA -0.745 61.389 62.100 0.058 0.000 0.995 122 T CB 1.947 70.833 68.868 0.031 0.000 1.072 122 T HN 0.517 8.757 8.240 -0.000 0.000 0.473 126 I N 2.293 122.804 120.570 -0.098 0.000 2.301 126 I HA 0.125 4.327 4.170 0.053 0.000 0.292 126 I C 1.203 177.271 176.117 -0.081 0.000 1.046 126 I CA -0.016 61.177 61.300 -0.177 0.000 1.282 126 I CB 0.961 38.843 38.000 -0.196 0.000 1.409 126 I HN 0.657 8.867 8.210 -0.000 0.000 0.484 127 K N 4.560 124.917 120.400 -0.070 0.000 2.074 127 K HA -0.231 4.121 4.320 0.053 0.000 0.209 127 K C 1.380 177.947 176.600 -0.055 0.000 1.048 127 K CA 1.930 58.193 56.287 -0.042 0.000 0.926 127 K CB 0.258 32.744 32.500 -0.024 0.000 0.713 127 K HN 0.530 8.780 8.250 -0.000 0.000 0.444 128 E N 0.134 120.291 120.200 -0.072 0.000 2.160 128 E HA -0.171 4.211 4.350 0.053 0.000 0.195 128 E C 1.961 178.521 176.600 -0.067 0.000 0.991 128 E CA 1.114 57.438 56.400 -0.127 0.000 0.810 128 E CB -0.072 29.473 29.700 -0.258 0.000 0.742 128 E HN 0.267 8.627 8.360 -0.000 0.000 0.466 129 R N 0.510 121.006 120.500 -0.006 0.000 2.062 129 R HA -0.138 4.234 4.340 0.053 0.000 0.231 129 R C 2.112 178.442 176.300 0.048 0.000 1.136 129 R CA 1.617 57.742 56.100 0.042 0.000 0.948 129 R CB -0.029 30.302 30.300 0.052 0.000 0.845 129 R HN -0.039 8.231 8.270 -0.000 0.000 0.430 130 K N 0.940 121.355 120.400 0.024 0.000 2.063 130 K HA -0.158 4.194 4.320 0.053 0.000 0.208 130 K C 1.478 178.094 176.600 0.026 0.000 1.048 130 K CA 2.207 58.514 56.287 0.033 0.000 0.928 130 K CB -0.287 32.220 32.500 0.013 0.000 0.713 130 K HN 0.156 8.406 8.250 -0.000 0.000 0.442 131 D N 0.054 120.449 120.400 -0.008 0.000 2.104 131 D HA -0.143 4.529 4.640 0.053 0.000 0.194 131 D C 1.733 178.019 176.300 -0.025 0.000 0.994 131 D CA 1.163 55.146 54.000 -0.028 0.000 0.830 131 D CB -0.116 40.645 40.800 -0.065 0.000 0.959 131 D HN 0.155 8.525 8.370 -0.000 0.000 0.452 132 L N 0.698 121.914 121.223 -0.012 0.000 2.395 132 L HA -0.013 4.359 4.340 0.053 0.000 0.218 132 L C 2.098 179.032 176.870 0.106 0.000 1.130 132 L CA 0.940 55.773 54.840 -0.011 0.000 0.826 132 L CB -0.113 41.949 42.059 0.005 0.000 0.941 132 L HN -0.025 8.205 8.230 -0.000 0.000 0.451 133 E N -0.617 119.679 120.200 0.160 0.000 2.076 133 E HA -0.171 4.211 4.350 0.053 0.000 0.190 133 E C 1.496 178.185 176.600 0.147 0.000 0.979 133 E CA 0.901 57.461 56.400 0.266 0.000 0.807 133 E CB 0.085 29.945 29.700 0.266 0.000 0.761 133 E HN 0.415 8.775 8.360 -0.000 0.000 0.454 134 D N 0.792 121.243 120.400 0.085 0.000 2.133 134 D HA -0.182 4.490 4.640 0.053 0.000 0.195 134 D C 1.855 178.153 176.300 -0.003 0.000 0.997 134 D CA 0.770 54.795 54.000 0.042 0.000 0.840 134 D CB -0.147 40.667 40.800 0.022 0.000 0.947 134 D HN 0.069 8.439 8.370 -0.000 0.000 0.452 135 L N -0.658 120.533 121.223 -0.054 0.000 2.109 135 L HA -0.027 4.345 4.340 0.053 0.000 0.207 135 L C 1.903 178.680 176.870 -0.156 0.000 1.086 135 L CA 1.196 55.964 54.840 -0.121 0.000 0.760 135 L CB -0.369 41.573 42.059 -0.195 0.000 0.910 135 L HN -0.107 8.123 8.230 -0.000 0.000 0.437 136 F N 0.120 119.924 119.950 -0.243 0.000 2.186 136 F HA -0.160 4.399 4.527 0.053 0.000 0.299 136 F C 2.551 178.118 175.800 -0.388 0.000 1.090 136 F CA 1.554 59.281 58.000 -0.454 0.000 1.307 136 F CB -0.445 37.885 39.000 -1.118 0.000 1.019 136 F HN 0.054 8.354 8.300 -0.000 0.000 0.489 137 K N 0.377 120.734 120.400 -0.071 0.000 2.097 137 K HA -0.188 4.164 4.320 0.053 0.000 0.205 137 K C 2.240 178.890 176.600 0.084 0.000 1.050 137 K CA 1.196 57.516 56.287 0.055 0.000 0.938 137 K CB -0.055 32.519 32.500 0.124 0.000 0.718 137 K HN 0.145 8.395 8.250 -0.000 0.000 0.442 138 K N 0.125 120.557 120.400 0.053 0.000 1.984 138 K HA -0.081 4.271 4.320 0.053 0.000 0.209 138 K C 2.040 178.701 176.600 0.102 0.000 1.046 138 K CA 1.117 57.443 56.287 0.064 0.000 0.934 138 K CB -0.211 32.308 32.500 0.031 0.000 0.717 138 K HN 0.175 8.425 8.250 -0.000 0.000 0.438 139 A N 1.060 123.931 122.820 0.086 0.000 2.054 139 A HA -0.278 4.074 4.320 0.053 0.000 0.223 139 A C 1.906 179.655 177.584 0.276 0.000 1.169 139 A CA 1.975 54.102 52.037 0.150 0.000 0.655 139 A CB -0.442 18.614 19.000 0.092 0.000 0.812 139 A HN 0.537 8.687 8.150 -0.000 0.000 0.462 140 Q N -1.396 118.561 119.800 0.261 0.000 2.350 140 Q HA 0.068 4.440 4.340 0.053 0.000 0.225 140 Q C 1.941 178.110 176.000 0.282 0.000 0.878 140 Q CA 0.502 56.518 55.803 0.355 0.000 0.935 140 Q CB 0.046 28.991 28.738 0.345 0.000 1.099 140 Q HN 0.686 8.956 8.270 -0.000 0.000 0.527 141 K N 0.911 121.431 120.400 0.200 0.000 2.000 141 K HA -0.169 4.183 4.320 0.053 0.000 0.218 141 K C -0.986 175.668 176.600 0.090 0.000 1.053 141 K CA 1.942 58.309 56.287 0.133 0.000 0.946 141 K CB -0.718 31.839 32.500 0.095 0.000 0.723 141 K HN 0.104 8.354 8.250 -0.000 0.000 0.446 142 P HA -0.223 4.197 4.420 -0.000 0.000 0.219 142 P C 0.726 177.946 177.300 -0.134 0.000 1.161 142 P CA 1.773 64.820 63.100 -0.089 0.000 0.909 142 P CB -0.225 31.407 31.700 -0.113 0.000 0.793 143 W N -0.234 120.944 121.300 -0.204 0.000 2.467 143 W HA 0.031 4.723 4.660 0.053 0.000 0.275 143 W C 2.261 178.646 176.519 -0.224 0.000 1.239 143 W CA 1.510 58.699 57.345 -0.261 0.000 1.266 143 W CB -0.553 28.622 29.460 -0.474 0.000 1.112 143 W HN -0.129 8.051 8.180 -0.000 0.000 0.576 144 A N 0.904 123.767 122.820 0.073 0.000 1.858 144 A HA -0.203 4.149 4.320 0.053 0.000 0.216 144 A C 2.088 179.574 177.584 -0.164 0.000 1.190 144 A CA 1.804 53.824 52.037 -0.028 0.000 0.617 144 A CB -0.727 18.325 19.000 0.086 0.000 0.827 144 A HN 0.094 8.244 8.150 -0.000 0.000 0.443 145 K N 0.291 120.614 120.400 -0.129 0.000 2.001 145 K HA -0.200 4.152 4.320 0.053 0.000 0.223 145 K C 1.874 178.337 176.600 -0.228 0.000 1.055 145 K CA 1.863 58.058 56.287 -0.153 0.000 0.965 145 K CB -1.445 30.972 32.500 -0.138 0.000 0.730 145 K HN 0.576 8.826 8.250 -0.000 0.000 0.449 146 L N 0.627 121.672 121.223 -0.297 0.000 2.089 146 L HA -0.219 4.153 4.340 0.053 0.000 0.213 146 L C 2.580 179.213 176.870 -0.395 0.000 1.079 146 L CA 0.873 55.516 54.840 -0.328 0.000 0.758 146 L CB -0.701 41.155 42.059 -0.338 0.000 0.891 146 L HN 0.086 8.316 8.230 -0.000 0.000 0.433 147 L N 0.121 121.004 121.223 -0.567 0.000 2.083 147 L HA -0.135 4.237 4.340 0.053 0.000 0.209 147 L C 2.687 179.390 176.870 -0.279 0.000 1.083 147 L CA 1.830 56.352 54.840 -0.529 0.000 0.752 147 L CB -0.555 41.067 42.059 -0.728 0.000 0.899 147 L HN 0.166 8.396 8.230 -0.000 0.000 0.433 148 A N -0.415 122.273 122.820 -0.220 0.000 1.845 148 A HA -0.253 4.099 4.320 0.053 0.000 0.215 148 A C 2.274 179.781 177.584 -0.128 0.000 1.195 148 A CA 2.057 54.009 52.037 -0.142 0.000 0.616 148 A CB -0.595 18.338 19.000 -0.111 0.000 0.832 148 A HN 0.454 8.604 8.150 -0.000 0.000 0.443 149 K N -0.611 119.711 120.400 -0.130 0.000 2.032 149 K HA -0.205 4.147 4.320 0.053 0.000 0.218 149 K C 1.866 178.406 176.600 -0.100 0.000 1.054 149 K CA 1.880 58.102 56.287 -0.108 0.000 0.941 149 K CB -0.801 31.634 32.500 -0.109 0.000 0.720 149 K HN 0.274 8.524 8.250 -0.000 0.000 0.449 150 V N 2.017 121.863 119.914 -0.112 0.000 2.380 150 V HA -0.240 3.912 4.120 0.053 0.000 0.251 150 V C 2.277 178.318 176.094 -0.088 0.000 1.063 150 V CA 1.796 64.068 62.300 -0.048 0.000 1.055 150 V CB -0.409 31.385 31.823 -0.048 0.000 0.657 150 V HN 0.332 8.522 8.190 -0.000 0.000 0.455 151 E N -0.556 119.572 120.200 -0.120 0.000 2.107 151 E HA -0.134 4.248 4.350 0.053 0.000 0.191 151 E C 2.269 178.775 176.600 -0.157 0.000 0.982 151 E CA 0.637 56.958 56.400 -0.131 0.000 0.809 151 E CB -0.192 29.447 29.700 -0.101 0.000 0.756 151 E HN 0.460 8.820 8.360 -0.000 0.000 0.459 152 K N 0.980 121.301 120.400 -0.132 0.000 1.973 152 K HA -0.043 4.309 4.320 0.053 0.000 0.212 152 K C 2.196 178.697 176.600 -0.165 0.000 1.047 152 K CA 1.102 57.316 56.287 -0.122 0.000 0.937 152 K CB -0.609 31.839 32.500 -0.087 0.000 0.721 152 K HN 0.060 8.310 8.250 -0.000 0.000 0.440 153 A N 2.072 124.797 122.820 -0.157 0.000 1.954 153 A HA -0.315 4.037 4.320 0.053 0.000 0.222 153 A C 2.151 179.420 177.584 -0.524 0.000 1.199 153 A CA 2.811 54.730 52.037 -0.196 0.000 0.657 153 A CB -0.611 18.353 19.000 -0.060 0.000 0.823 153 A HN 0.499 8.649 8.150 -0.000 0.000 0.463 154 K N -0.595 119.345 120.400 -0.767 0.000 2.057 154 K HA 0.086 4.438 4.320 0.053 0.000 0.206 154 K C 2.055 178.234 176.600 -0.702 0.000 1.050 154 K CA 1.441 56.988 56.287 -1.232 0.000 0.935 154 K CB -0.397 31.530 32.500 -0.954 0.000 0.715 154 K HN 0.323 8.573 8.250 -0.000 0.000 0.439 155 A N 1.337 123.938 122.820 -0.365 0.000 1.872 155 A HA -0.120 4.232 4.320 0.053 0.000 0.214 155 A C 1.579 179.085 177.584 -0.130 0.000 1.187 155 A CA 1.774 53.701 52.037 -0.183 0.000 0.614 155 A CB -0.669 18.267 19.000 -0.105 0.000 0.826 155 A HN 0.430 8.580 8.150 -0.000 0.000 0.442 156 D N -2.213 118.111 120.400 -0.126 0.000 2.384 156 D HA -0.099 4.573 4.640 0.053 0.000 0.222 156 D C 1.136 177.428 176.300 -0.013 0.000 0.976 156 D CA 1.083 55.047 54.000 -0.061 0.000 0.915 156 D CB -0.155 40.615 40.800 -0.050 0.000 0.896 156 D HN 0.722 9.092 8.370 -0.000 0.000 0.523 157 Y N -1.430 118.749 120.300 -0.203 0.000 2.430 157 Y HA 0.192 4.774 4.550 0.053 0.000 0.248 157 Y C 1.580 177.473 175.900 -0.012 0.000 1.108 157 Y CA 0.525 58.551 58.100 -0.124 0.000 1.264 157 Y CB 0.153 38.511 38.460 -0.171 0.000 1.172 157 Y HN 0.050 8.330 8.280 -0.000 0.000 0.520 158 H N -1.296 117.658 119.070 -0.193 0.000 2.520 158 H HA 0.025 4.613 4.556 0.053 0.000 0.279 158 H C 2.174 177.381 175.328 -0.202 0.000 0.990 158 H CA 0.799 56.699 56.048 -0.246 0.000 1.288 158 H CB 0.490 30.196 29.762 -0.094 0.000 1.446 158 H HN 0.394 8.674 8.280 -0.000 0.000 0.538 159 S N 0.185 115.871 115.700 -0.024 0.000 2.478 159 S HA 0.078 4.580 4.470 0.053 0.000 0.222 159 S C 2.154 176.712 174.600 -0.070 0.000 1.008 159 S CA 0.370 58.545 58.200 -0.041 0.000 0.928 159 S CB 0.231 63.415 63.200 -0.027 0.000 0.781 159 S HN 0.358 8.668 8.310 -0.000 0.000 0.518 160 A N 0.782 123.545 122.820 -0.096 0.000 1.968 160 A HA 0.047 4.398 4.320 0.053 0.000 0.217 160 A C 2.364 179.863 177.584 -0.142 0.000 1.169 160 A CA 1.158 53.136 52.037 -0.098 0.000 0.638 160 A CB -1.370 17.589 19.000 -0.068 0.000 0.812 160 A HN 0.666 8.816 8.150 -0.000 0.000 0.446 161 C N -0.864 118.293 119.300 -0.238 0.000 2.446 161 C HA -0.029 4.463 4.460 0.053 0.000 0.277 161 C C 2.680 177.591 174.990 -0.132 0.000 1.275 161 C CA 1.294 60.176 59.018 -0.226 0.000 1.727 161 C CB -0.836 26.711 27.740 -0.322 0.000 2.010 161 C HN 0.677 8.907 8.230 -0.000 0.000 0.486 162 K N 0.412 120.744 120.400 -0.114 0.000 2.002 162 K HA -0.157 4.195 4.320 0.053 0.000 0.209 162 K C 1.942 178.505 176.600 -0.062 0.000 1.048 162 K CA 2.041 58.281 56.287 -0.079 0.000 0.930 162 K CB -0.363 32.097 32.500 -0.065 0.000 0.714 162 K HN 0.492 8.742 8.250 -0.000 0.000 0.438 163 T N 1.300 115.819 114.554 -0.059 0.000 2.544 163 T HA -0.232 4.150 4.350 0.053 0.000 0.264 163 T C 1.635 176.307 174.700 -0.045 0.000 1.096 163 T CA 1.561 63.633 62.100 -0.045 0.000 1.181 163 T CB -0.522 68.322 68.868 -0.040 0.000 0.864 163 T HN 0.360 8.600 8.240 -0.000 0.000 0.415 164 E N 0.929 121.098 120.200 -0.052 0.000 2.253 164 E HA -0.237 4.145 4.350 0.053 0.000 0.202 164 E C 2.251 178.824 176.600 -0.044 0.000 1.014 164 E CA 1.180 57.551 56.400 -0.048 0.000 0.823 164 E CB -0.069 29.601 29.700 -0.051 0.000 0.736 164 E HN 0.447 8.807 8.360 -0.000 0.000 0.478 165 R N -0.604 119.868 120.500 -0.047 0.000 2.210 165 R HA 0.006 4.377 4.340 0.053 0.000 0.203 165 R C 2.378 178.658 176.300 -0.033 0.000 1.010 165 R CA 1.045 57.121 56.100 -0.040 0.000 1.008 165 R CB 0.116 30.389 30.300 -0.044 0.000 0.923 165 R HN 0.085 8.355 8.270 -0.000 0.000 0.469 166 S N -0.873 114.808 115.700 -0.033 0.000 2.535 166 S HA 0.214 4.716 4.470 0.053 0.000 0.214 166 S C 1.663 176.249 174.600 -0.023 0.000 0.980 166 S CA 0.160 58.344 58.200 -0.026 0.000 0.907 166 S CB 0.925 64.110 63.200 -0.026 0.000 0.790 166 S HN 0.237 8.547 8.310 -0.000 0.000 0.510 167 A N 2.251 125.055 122.820 -0.027 0.000 1.956 167 A HA 0.148 4.500 4.320 0.053 0.000 0.212 167 A C 2.288 179.857 177.584 -0.026 0.000 1.188 167 A CA 1.201 53.223 52.037 -0.025 0.000 0.675 167 A CB -1.175 17.807 19.000 -0.030 0.000 0.845 167 A HN 0.641 8.791 8.150 -0.000 0.000 0.455 168 T N -1.767 112.769 114.554 -0.030 0.000 3.035 168 T HA -0.060 4.322 4.350 0.053 0.000 0.268 168 T C 1.518 176.206 174.700 -0.019 0.000 1.109 168 T CA 1.129 63.211 62.100 -0.029 0.000 1.119 168 T CB -0.310 68.539 68.868 -0.031 0.000 0.900 168 T HN 0.279 8.519 8.240 -0.000 0.000 0.503 169 N N 1.964 120.653 118.700 -0.018 0.000 2.135 169 N HA -0.017 4.755 4.740 0.053 0.000 0.186 169 N C 2.099 177.604 175.510 -0.008 0.000 1.027 169 N CA 1.181 54.224 53.050 -0.013 0.000 0.849 169 N CB -0.261 38.217 38.487 -0.014 0.000 1.002 169 N HN 0.612 8.992 8.380 -0.000 0.000 0.425 170 Q N 0.388 120.183 119.800 -0.008 0.000 2.172 170 Q HA -0.061 4.311 4.340 0.053 0.000 0.200 170 Q C 1.735 177.737 176.000 0.002 0.000 0.964 170 Q CA 0.769 56.570 55.803 -0.003 0.000 0.855 170 Q CB -0.041 28.695 28.738 -0.003 0.000 0.918 170 Q HN 0.464 8.734 8.270 -0.000 0.000 0.444 171 E N 1.232 121.433 120.200 0.002 0.000 2.118 171 E HA -0.278 4.104 4.350 0.053 0.000 0.195 171 E C 1.969 178.576 176.600 0.012 0.000 0.992 171 E CA 0.976 57.383 56.400 0.011 0.000 0.804 171 E CB 0.100 29.804 29.700 0.007 0.000 0.741 171 E HN 0.099 8.459 8.360 -0.000 0.000 0.458 172 R N 1.623 122.125 120.500 0.004 0.000 2.168 172 R HA -0.231 4.141 4.340 0.053 0.000 0.242 172 R C 0.956 177.260 176.300 0.006 0.000 1.123 172 R CA 2.644 58.746 56.100 0.004 0.000 0.928 172 R CB -0.922 29.377 30.300 -0.001 0.000 0.873 172 R HN 0.277 8.547 8.270 -0.000 0.000 0.434 173 N N -0.793 117.909 118.700 0.004 0.000 2.346 173 N HA 0.262 5.034 4.740 0.053 0.000 0.225 173 N C 0.294 175.807 175.510 0.006 0.000 1.144 173 N CA 0.336 53.388 53.050 0.004 0.000 0.837 173 N CB 1.143 39.631 38.487 0.001 0.000 1.069 173 N HN 0.392 8.772 8.380 -0.000 0.000 0.487 174 A N 1.102 123.928 122.820 0.010 0.000 1.984 174 A HA 0.108 4.460 4.320 0.053 0.000 0.203 174 A C 1.543 179.134 177.584 0.013 0.000 1.292 174 A CA 0.093 52.137 52.037 0.012 0.000 0.782 174 A CB -0.205 18.806 19.000 0.019 0.000 0.924 174 A HN 0.278 8.428 8.150 -0.000 0.000 0.475 175 N N 0.704 119.413 118.700 0.016 0.000 2.550 175 N HA 0.179 4.951 4.740 0.053 0.000 0.186 175 N C 0.729 176.244 175.510 0.009 0.000 1.110 175 N CA 0.714 53.773 53.050 0.015 0.000 0.912 175 N CB 0.087 38.586 38.487 0.021 0.000 0.968 175 N HN 0.426 8.806 8.380 -0.000 0.000 0.448 176 A N 0.191 123.015 122.820 0.008 0.000 2.701 176 A HA 0.191 4.543 4.320 0.053 0.000 0.297 176 A C -0.447 177.139 177.584 0.004 0.000 1.197 176 A CA -0.335 51.705 52.037 0.005 0.000 0.963 176 A CB 0.274 19.276 19.000 0.004 0.000 1.175 176 A HN 0.053 8.203 8.150 -0.000 0.000 0.531 177 D N -0.097 120.306 120.400 0.004 0.000 2.358 177 D HA 0.205 4.877 4.640 0.053 0.000 0.253 177 D C 0.853 177.155 176.300 0.003 0.000 1.288 177 D CA 0.369 54.371 54.000 0.003 0.000 0.950 177 D CB 1.198 42.000 40.800 0.003 0.000 1.197 177 D HN 0.064 8.434 8.370 -0.000 0.000 0.550 178 S N 1.375 117.076 115.700 0.002 0.000 2.650 178 S HA -0.040 4.462 4.470 0.053 0.000 0.219 178 S C 1.358 175.958 174.600 -0.000 0.000 0.960 178 S CA 0.586 58.786 58.200 0.001 0.000 0.925 178 S CB -0.208 62.993 63.200 0.000 0.000 0.775 178 S HN 0.284 8.594 8.310 -0.000 0.000 0.525 179 S N 0.905 116.605 115.700 0.000 0.000 2.478 179 S HA 0.308 4.810 4.470 0.053 0.000 0.222 179 S C 0.663 175.263 174.600 -0.000 0.000 1.008 179 S CA -0.497 57.702 58.200 -0.000 0.000 0.928 179 S CB -0.657 62.543 63.200 -0.000 0.000 0.781 179 S HN 0.503 8.813 8.310 -0.000 0.000 0.518 180 L N 3.266 124.490 121.223 0.001 0.000 2.483 180 L HA 0.180 4.552 4.340 0.053 0.000 0.275 180 L C 1.085 177.955 176.870 -0.000 0.000 1.220 180 L CA -0.324 54.516 54.840 0.001 0.000 0.833 180 L CB 0.313 42.374 42.059 0.003 0.000 1.102 180 L HN 0.378 8.608 8.230 -0.000 0.000 0.490 181 S N 2.593 118.292 115.700 -0.001 0.000 2.614 181 S HA 0.249 4.751 4.470 0.053 0.000 0.265 181 S C -1.557 173.041 174.600 -0.004 0.000 1.303 181 S CA -1.112 57.086 58.200 -0.003 0.000 1.000 181 S CB 1.000 64.199 63.200 -0.002 0.000 0.935 181 S HN 0.491 8.801 8.310 -0.000 0.000 0.551 182 P HA -0.093 4.327 4.420 -0.000 0.000 0.216 182 P C 0.761 178.055 177.300 -0.011 0.000 1.150 182 P CA 1.255 64.348 63.100 -0.012 0.000 0.837 182 P CB -0.142 31.548 31.700 -0.016 0.000 0.786 183 D N -0.552 119.844 120.400 -0.007 0.000 2.178 183 D HA -0.144 4.528 4.640 0.053 0.000 0.201 183 D C 2.199 178.501 176.300 0.003 0.000 0.980 183 D CA 1.028 55.026 54.000 -0.003 0.000 0.842 183 D CB -0.307 40.492 40.800 -0.002 0.000 0.948 183 D HN 0.299 8.669 8.370 -0.000 0.000 0.472 184 Q N -0.435 119.367 119.800 0.004 0.000 2.096 184 Q HA -0.029 4.343 4.340 0.053 0.000 0.197 184 Q C 2.298 178.307 176.000 0.015 0.000 0.964 184 Q CA 0.613 56.421 55.803 0.008 0.000 0.838 184 Q CB 0.230 28.972 28.738 0.006 0.000 0.906 184 Q HN 0.154 8.424 8.270 -0.000 0.000 0.444 185 V N 1.412 121.332 119.914 0.011 0.000 2.515 185 V HA -0.236 3.916 4.120 0.053 0.000 0.250 185 V C 2.221 178.337 176.094 0.036 0.000 1.058 185 V CA 1.594 63.906 62.300 0.019 0.000 1.064 185 V CB -0.412 31.416 31.823 0.007 0.000 0.675 185 V HN 0.286 8.476 8.190 -0.000 0.000 0.461 186 K N 0.435 120.845 120.400 0.016 0.000 2.025 186 K HA -0.121 4.231 4.320 0.053 0.000 0.207 186 K C 1.558 178.197 176.600 0.065 0.000 1.049 186 K CA 0.868 57.166 56.287 0.019 0.000 0.933 186 K CB -0.044 32.447 32.500 -0.014 0.000 0.714 186 K HN 0.280 8.530 8.250 -0.000 0.000 0.438 190 D N 1.098 121.595 120.400 0.161 0.000 2.117 190 D HA -0.039 4.633 4.640 0.053 0.000 0.198 190 D C 1.965 178.270 176.300 0.007 0.000 0.982 190 D CA 0.966 55.024 54.000 0.096 0.000 0.828 190 D CB -0.091 40.765 40.800 0.093 0.000 0.967 190 D HN 0.334 8.704 8.370 -0.000 0.000 0.464 191 R N 0.375 120.878 120.500 0.005 0.000 2.083 191 R HA -0.114 4.257 4.340 0.053 0.000 0.237 191 R C 2.272 178.548 176.300 -0.040 0.000 1.137 191 R CA 0.851 56.943 56.100 -0.013 0.000 0.951 191 R CB -0.418 29.878 30.300 -0.007 0.000 0.851 191 R HN 0.070 8.340 8.270 -0.000 0.000 0.434 192 V N 0.769 120.642 119.914 -0.069 0.000 2.233 192 V HA -0.309 3.843 4.120 0.053 0.000 0.247 192 V C 2.361 178.395 176.094 -0.099 0.000 1.050 192 V CA 2.192 64.437 62.300 -0.092 0.000 1.010 192 V CB -0.559 31.186 31.823 -0.131 0.000 0.637 192 V HN 0.347 8.537 8.190 -0.000 0.000 0.444 193 Q N -0.095 119.620 119.800 -0.142 0.000 2.234 193 Q HA -0.203 4.169 4.340 0.053 0.000 0.206 193 Q C 2.112 178.083 176.000 -0.049 0.000 0.980 193 Q CA 1.653 57.393 55.803 -0.106 0.000 0.869 193 Q CB -0.241 28.418 28.738 -0.131 0.000 0.912 193 Q HN 0.344 8.614 8.270 -0.000 0.000 0.436 194 K N -0.760 119.618 120.400 -0.037 0.000 2.243 194 K HA 0.019 4.371 4.320 0.053 0.000 0.201 194 K C 1.818 178.408 176.600 -0.017 0.000 1.051 194 K CA 1.493 57.770 56.287 -0.017 0.000 0.970 194 K CB -0.168 32.326 32.500 -0.009 0.000 0.755 194 K HN 0.505 8.755 8.250 -0.000 0.000 0.465 195 T N -1.435 113.103 114.554 -0.026 0.000 3.054 195 T HA 0.015 4.397 4.350 0.053 0.000 0.259 195 T C 1.515 176.201 174.700 -0.023 0.000 1.092 195 T CA 0.519 62.604 62.100 -0.025 0.000 1.121 195 T CB 0.032 68.881 68.868 -0.031 0.000 0.912 195 T HN 0.292 8.532 8.240 -0.000 0.000 0.489 196 K N 0.816 121.201 120.400 -0.026 0.000 2.400 196 K HA 0.090 4.442 4.320 0.053 0.000 0.194 196 K C 0.994 177.594 176.600 0.001 0.000 1.033 196 K CA 0.472 56.750 56.287 -0.015 0.000 1.021 196 K CB 0.030 32.517 32.500 -0.022 0.000 0.808 196 K HN 0.103 8.353 8.250 -0.000 0.000 0.505 197 D N 1.850 122.249 120.400 -0.001 0.000 2.117 197 D HA -0.151 4.521 4.640 0.053 0.000 0.197 197 D C 1.978 178.290 176.300 0.020 0.000 0.987 197 D CA 1.137 55.142 54.000 0.009 0.000 0.829 197 D CB 0.060 40.863 40.800 0.006 0.000 0.961 197 D HN 0.185 8.555 8.370 -0.000 0.000 0.460 198 Q N 0.561 120.369 119.800 0.014 0.000 1.993 198 Q HA -0.075 4.297 4.340 0.053 0.000 0.202 198 Q C 2.611 178.639 176.000 0.047 0.000 0.984 198 Q CA 0.440 56.255 55.803 0.021 0.000 0.837 198 Q CB -0.880 27.859 28.738 0.001 0.000 0.902 198 Q HN 0.175 8.445 8.270 -0.000 0.000 0.423 199 V N 1.345 121.277 119.914 0.030 0.000 2.363 199 V HA -0.304 3.848 4.120 0.053 0.000 0.254 199 V C 2.377 178.570 176.094 0.166 0.000 1.074 199 V CA 2.153 64.492 62.300 0.064 0.000 1.069 199 V CB -0.482 31.353 31.823 0.020 0.000 0.659 199 V HN 0.332 8.522 8.190 -0.000 0.000 0.455 200 Q N 0.233 120.095 119.800 0.104 0.000 1.990 200 Q HA -0.071 4.301 4.340 0.053 0.000 0.195 200 Q C 2.278 178.333 176.000 0.093 0.000 0.977 200 Q CA 1.713 57.574 55.803 0.097 0.000 0.828 200 Q CB -0.566 28.205 28.738 0.055 0.000 0.896 200 Q HN 0.478 8.748 8.270 -0.000 0.000 0.447 201 K N -0.516 119.923 120.400 0.065 0.000 2.090 201 K HA -0.263 4.089 4.320 0.053 0.000 0.218 201 K C 2.090 178.735 176.600 0.075 0.000 1.055 201 K CA 1.994 58.312 56.287 0.053 0.000 0.941 201 K CB -0.485 32.038 32.500 0.038 0.000 0.722 201 K HN 0.370 8.620 8.250 -0.000 0.000 0.458 202 C N -0.127 119.249 119.300 0.127 0.000 2.432 202 C HA -0.074 4.418 4.460 0.053 0.000 0.277 202 C C 2.740 177.843 174.990 0.189 0.000 1.249 202 C CA 0.860 59.994 59.018 0.192 0.000 1.725 202 C CB -0.888 27.030 27.740 0.296 0.000 2.028 202 C HN 0.564 8.794 8.230 -0.000 0.000 0.477 203 R N 0.841 121.477 120.500 0.228 0.000 2.103 203 R HA -0.195 4.177 4.340 0.053 0.000 0.242 203 R C 2.019 178.271 176.300 -0.080 0.000 1.142 203 R CA 1.891 57.936 56.100 -0.092 0.000 0.960 203 R CB -0.238 30.100 30.300 0.063 0.000 0.858 203 R HN 0.634 8.904 8.270 -0.000 0.000 0.439 204 E N -0.173 120.025 120.200 -0.003 0.000 2.015 204 E HA -0.171 4.211 4.350 0.053 0.000 0.191 204 E C 1.962 178.551 176.600 -0.019 0.000 0.991 204 E CA 1.196 57.584 56.400 -0.020 0.000 0.802 204 E CB 0.104 29.803 29.700 -0.002 0.000 0.759 204 E HN 0.110 8.470 8.360 -0.000 0.000 0.447 205 K N 0.352 120.758 120.400 0.011 0.000 2.113 205 K HA -0.196 4.156 4.320 0.053 0.000 0.208 205 K C 2.038 178.662 176.600 0.039 0.000 1.047 205 K CA 1.105 57.400 56.287 0.013 0.000 0.928 205 K CB -0.698 31.811 32.500 0.015 0.000 0.716 205 K HN 0.237 8.487 8.250 -0.000 0.000 0.446 206 Y N 2.421 122.632 120.300 -0.149 0.000 2.070 206 Y HA -0.183 4.399 4.550 0.053 0.000 0.279 206 Y C 1.927 177.721 175.900 -0.177 0.000 1.134 206 Y CA 1.568 59.548 58.100 -0.201 0.000 1.113 206 Y CB -0.636 37.613 38.460 -0.351 0.000 0.981 206 Y HN 0.185 8.465 8.280 -0.000 0.000 0.487 207 E N -0.277 119.771 120.200 -0.254 0.000 2.187 207 E HA -0.311 4.071 4.350 0.053 0.000 0.199 207 E C 2.078 178.591 176.600 -0.145 0.000 1.004 207 E CA 1.719 57.964 56.400 -0.257 0.000 0.813 207 E CB -0.181 29.401 29.700 -0.197 0.000 0.736 207 E HN 0.627 8.987 8.360 -0.000 0.000 0.468 208 Q N -0.814 118.935 119.800 -0.085 0.000 2.331 208 Q HA 0.047 4.419 4.340 0.053 0.000 0.203 208 Q C 1.883 177.852 176.000 -0.052 0.000 0.944 208 Q CA 0.861 56.630 55.803 -0.058 0.000 0.892 208 Q CB 0.284 29.000 28.738 -0.037 0.000 0.983 208 Q HN 0.250 8.520 8.270 -0.000 0.000 0.482 209 A N 0.280 123.074 122.820 -0.044 0.000 1.903 209 A HA -0.036 4.316 4.320 0.053 0.000 0.213 209 A C 1.913 179.461 177.584 -0.060 0.000 1.185 209 A CA 0.505 52.519 52.037 -0.039 0.000 0.628 209 A CB -0.309 18.691 19.000 0.001 0.000 0.830 209 A HN 0.266 8.416 8.150 -0.000 0.000 0.446 210 I N 0.160 120.679 120.570 -0.085 0.000 2.163 210 I HA -0.327 3.875 4.170 0.053 0.000 0.243 210 I C 2.962 179.034 176.117 -0.075 0.000 1.085 210 I CA 1.201 62.437 61.300 -0.107 0.000 1.347 210 I CB -0.238 37.641 38.000 -0.201 0.000 1.044 210 I HN 0.361 8.571 8.210 -0.000 0.000 0.408 211 A N -0.289 122.486 122.820 -0.076 0.000 1.940 211 A HA -0.269 4.083 4.320 0.053 0.000 0.219 211 A C 2.319 179.893 177.584 -0.016 0.000 1.176 211 A CA 1.883 53.893 52.037 -0.044 0.000 0.631 211 A CB -0.568 18.404 19.000 -0.047 0.000 0.814 211 A HN 0.490 8.640 8.150 -0.000 0.000 0.446 212 E N -0.898 119.287 120.200 -0.025 0.000 2.112 212 E HA -0.112 4.270 4.350 0.053 0.000 0.190 212 E C 1.851 178.464 176.600 0.021 0.000 0.979 212 E CA 0.992 57.387 56.400 -0.008 0.000 0.814 212 E CB -0.102 29.576 29.700 -0.035 0.000 0.762 212 E HN 0.606 8.966 8.360 -0.000 0.000 0.460 213 I N 0.582 121.146 120.570 -0.011 0.000 2.286 213 I HA -0.195 4.007 4.170 0.053 0.000 0.245 213 I C 2.016 178.205 176.117 0.121 0.000 1.104 213 I CA 1.351 62.655 61.300 0.007 0.000 1.397 213 I CB -0.102 37.815 38.000 -0.140 0.000 1.072 213 I HN -0.023 8.187 8.210 -0.000 0.000 0.417 214 T N 0.969 115.565 114.554 0.070 0.000 2.946 214 T HA -0.198 4.184 4.350 0.053 0.000 0.271 214 T C 1.613 176.370 174.700 0.096 0.000 1.104 214 T CA 1.717 63.867 62.100 0.082 0.000 1.114 214 T CB -0.346 68.540 68.868 0.031 0.000 0.867 214 T HN 0.534 8.774 8.240 -0.000 0.000 0.513 215 K N -0.361 120.105 120.400 0.110 0.000 2.334 215 K HA 0.116 4.468 4.320 0.053 0.000 0.195 215 K C 1.811 178.510 176.600 0.166 0.000 1.045 215 K CA 0.250 56.601 56.287 0.107 0.000 1.004 215 K CB -0.327 32.220 32.500 0.079 0.000 0.837 215 K HN 0.207 8.457 8.250 -0.000 0.000 0.510 216 Y N 1.830 122.192 120.300 0.102 0.000 2.516 216 Y HA 0.059 4.640 4.550 0.053 0.000 0.291 216 Y C 1.210 177.246 175.900 0.226 0.000 1.131 216 Y CA 0.614 58.809 58.100 0.159 0.000 1.281 216 Y CB -0.054 38.516 38.460 0.184 0.000 1.013 216 Y HN 0.161 8.441 8.280 -0.000 0.000 0.554 217 N N -0.276 118.589 118.700 0.276 0.000 2.094 217 N HA -0.216 4.556 4.740 0.053 0.000 0.191 217 N C 2.112 177.638 175.510 0.026 0.000 1.023 217 N CA 1.846 55.042 53.050 0.243 0.000 0.857 217 N CB -0.609 37.983 38.487 0.176 0.000 1.013 217 N HN 0.499 8.879 8.380 -0.000 0.000 0.426 218 S N -0.478 115.195 115.700 -0.045 0.000 2.414 218 S HA 0.019 4.521 4.470 0.053 0.000 0.227 218 S C 2.119 176.633 174.600 -0.144 0.000 1.022 218 S CA 0.574 58.715 58.200 -0.099 0.000 0.958 218 S CB -0.543 62.614 63.200 -0.073 0.000 0.797 218 S HN 0.023 8.333 8.310 -0.000 0.000 0.493 219 V N 1.193 120.960 119.914 -0.245 0.000 2.332 219 V HA -0.160 3.992 4.120 0.053 0.000 0.248 219 V C 2.299 178.239 176.094 -0.257 0.000 1.055 219 V CA 2.117 64.207 62.300 -0.351 0.000 1.038 219 V CB -1.137 30.259 31.823 -0.713 0.000 0.651 219 V HN 0.620 8.810 8.190 -0.000 0.000 0.450 220 Y N 0.963 121.022 120.300 -0.403 0.000 2.049 220 Y HA -0.266 4.316 4.550 0.053 0.000 0.277 220 Y C 2.322 178.182 175.900 -0.067 0.000 1.143 220 Y CA 1.657 59.652 58.100 -0.174 0.000 1.115 220 Y CB -0.675 37.623 38.460 -0.270 0.000 0.975 220 Y HN 0.191 8.471 8.280 -0.000 0.000 0.487 221 I N 0.251 120.669 120.570 -0.253 0.000 2.113 221 I HA -0.405 3.797 4.170 0.053 0.000 0.242 221 I C 2.544 178.647 176.117 -0.023 0.000 1.064 221 I CA 2.088 63.239 61.300 -0.248 0.000 1.320 221 I CB -0.681 37.095 38.000 -0.374 0.000 1.028 221 I HN 0.362 8.572 8.210 -0.000 0.000 0.406 222 E N 0.750 120.922 120.200 -0.046 0.000 2.038 222 E HA -0.188 4.194 4.350 0.053 0.000 0.195 222 E C 0.614 177.228 176.600 0.022 0.000 1.000 222 E CA 1.073 57.468 56.400 -0.007 0.000 0.803 222 E CB -0.051 29.631 29.700 -0.031 0.000 0.750 222 E HN 0.437 8.797 8.360 -0.000 0.000 0.448 226 S N 1.037 116.776 115.700 0.065 0.000 2.406 226 S HA 0.045 4.547 4.470 0.053 0.000 0.224 226 S C 2.018 176.593 174.600 -0.041 0.000 1.030 226 S CA 1.231 59.439 58.200 0.013 0.000 0.958 226 S CB -0.230 62.965 63.200 -0.008 0.000 0.811 226 S HN 0.266 8.576 8.310 -0.000 0.000 0.489 227 V N 1.405 121.250 119.914 -0.114 0.000 2.453 227 V HA -0.021 4.131 4.120 0.053 0.000 0.247 227 V C 2.050 177.994 176.094 -0.250 0.000 1.048 227 V CA 1.796 63.883 62.300 -0.356 0.000 1.049 227 V CB -0.863 30.458 31.823 -0.836 0.000 0.672 227 V HN 0.626 8.816 8.190 -0.000 0.000 0.457 228 F N 1.127 120.997 119.950 -0.134 0.000 2.171 228 F HA -0.118 4.441 4.527 0.053 0.000 0.300 228 F C 2.383 178.175 175.800 -0.014 0.000 1.090 228 F CA 1.619 59.649 58.000 0.051 0.000 1.293 228 F CB -0.050 38.958 39.000 0.013 0.000 1.013 228 F HN 0.116 8.416 8.300 -0.000 0.000 0.486 229 E N 0.363 120.567 120.200 0.007 0.000 2.216 229 E HA -0.118 4.264 4.350 0.053 0.000 0.192 229 E C 2.112 178.641 176.600 -0.118 0.000 0.988 229 E CA 0.547 56.893 56.400 -0.089 0.000 0.834 229 E CB -0.190 29.522 29.700 0.019 0.000 0.772 229 E HN 0.450 8.810 8.360 -0.000 0.000 0.479 230 K N 0.005 120.343 120.400 -0.105 0.000 2.103 230 K HA -0.137 4.215 4.320 0.053 0.000 0.207 230 K C 2.191 178.743 176.600 -0.080 0.000 1.048 230 K CA 1.451 57.681 56.287 -0.095 0.000 0.930 230 K CB -0.090 32.334 32.500 -0.127 0.000 0.716 230 K HN 0.127 8.377 8.250 -0.000 0.000 0.444 231 C N 0.594 119.815 119.300 -0.131 0.000 2.518 231 C HA -0.031 4.461 4.460 0.053 0.000 0.279 231 C C 2.577 177.494 174.990 -0.122 0.000 1.279 231 C CA 0.211 59.177 59.018 -0.086 0.000 1.703 231 C CB -0.529 27.159 27.740 -0.087 0.000 2.072 231 C HN 0.491 8.721 8.230 -0.000 0.000 0.487 232 Q N 0.620 120.219 119.800 -0.336 0.000 2.133 232 Q HA -0.202 4.170 4.340 0.053 0.000 0.208 232 Q C 2.128 178.066 176.000 -0.104 0.000 0.991 232 Q CA 2.231 57.868 55.803 -0.276 0.000 0.867 232 Q CB -1.089 27.432 28.738 -0.362 0.000 0.911 232 Q HN 0.662 8.932 8.270 -0.000 0.000 0.417 233 T N 1.064 115.583 114.554 -0.058 0.000 2.777 233 T HA -0.120 4.262 4.350 0.053 0.000 0.266 233 T C 1.458 176.199 174.700 0.069 0.000 1.040 233 T CA 1.045 63.146 62.100 0.002 0.000 1.141 233 T CB -0.395 68.477 68.868 0.006 0.000 0.868 233 T HN 0.216 8.456 8.240 -0.000 0.000 0.444 234 F N 2.238 122.154 119.950 -0.057 0.000 2.102 234 F HA -0.076 4.483 4.527 0.053 0.000 0.298 234 F C 2.376 178.191 175.800 0.026 0.000 1.105 234 F CA 1.494 59.479 58.000 -0.025 0.000 1.239 234 F CB -0.438 38.536 39.000 -0.043 0.000 0.991 234 F HN 0.048 8.348 8.300 -0.000 0.000 0.474 235 E N 0.795 120.986 120.200 -0.015 0.000 2.085 235 E HA -0.249 4.132 4.350 0.053 0.000 0.194 235 E C 2.307 178.824 176.600 -0.137 0.000 0.994 235 E CA 1.757 58.085 56.400 -0.119 0.000 0.801 235 E CB -0.436 29.231 29.700 -0.054 0.000 0.743 235 E HN 0.403 8.763 8.360 -0.000 0.000 0.453 236 K N -0.593 119.758 120.400 -0.081 0.000 2.044 236 K HA -0.197 4.155 4.320 0.053 0.000 0.210 236 K C 2.133 178.710 176.600 -0.037 0.000 1.049 236 K CA 1.948 58.204 56.287 -0.052 0.000 0.927 236 K CB -0.493 31.991 32.500 -0.025 0.000 0.713 236 K HN 0.166 8.416 8.250 -0.000 0.000 0.443 237 T N 0.626 115.158 114.554 -0.036 0.000 2.665 237 T HA -0.187 4.195 4.350 0.053 0.000 0.268 237 T C 1.857 176.601 174.700 0.073 0.000 1.035 237 T CA 1.644 63.761 62.100 0.029 0.000 1.151 237 T CB -0.182 68.688 68.868 0.004 0.000 0.862 237 T HN 0.347 8.587 8.240 -0.000 0.000 0.438 238 R N 0.327 120.782 120.500 -0.076 0.000 2.073 238 R HA 0.003 4.375 4.340 0.053 0.000 0.234 238 R C 2.398 178.619 176.300 -0.132 0.000 1.134 238 R CA 1.209 57.239 56.100 -0.116 0.000 0.952 238 R CB -0.386 29.770 30.300 -0.239 0.000 0.850 238 R HN 0.386 8.656 8.270 -0.000 0.000 0.433 239 L N 0.471 121.610 121.223 -0.141 0.000 2.201 239 L HA -0.172 4.200 4.340 0.053 0.000 0.212 239 L C 2.548 179.414 176.870 -0.006 0.000 1.105 239 L CA 1.253 56.024 54.840 -0.114 0.000 0.775 239 L CB -0.345 41.653 42.059 -0.102 0.000 0.913 239 L HN 0.332 8.562 8.230 -0.000 0.000 0.440 240 Q N -0.760 119.064 119.800 0.039 0.000 2.020 240 Q HA -0.185 4.187 4.340 0.053 0.000 0.198 240 Q C 2.177 178.242 176.000 0.107 0.000 0.974 240 Q CA 1.435 57.281 55.803 0.073 0.000 0.829 240 Q CB -0.239 28.553 28.738 0.090 0.000 0.894 240 Q HN 0.343 8.613 8.270 -0.000 0.000 0.433 241 F N 0.948 120.876 119.950 -0.037 0.000 2.065 241 F HA -0.271 4.288 4.527 0.054 0.000 0.298 241 F C 1.777 177.525 175.800 -0.086 0.000 1.112 241 F CA 1.591 59.516 58.000 -0.125 0.000 1.212 241 F CB -0.495 38.250 39.000 -0.426 0.000 0.975 241 F HN -0.005 8.295 8.300 -0.000 0.000 0.476 242 F N 0.400 120.143 119.950 -0.345 0.000 2.161 242 F HA -0.224 4.335 4.527 0.054 0.000 0.300 242 F C 2.598 178.191 175.800 -0.345 0.000 1.089 242 F CA 1.397 59.156 58.000 -0.402 0.000 1.282 242 F CB -0.452 38.405 39.000 -0.238 0.000 1.010 242 F HN -0.068 8.232 8.300 -0.000 0.000 0.485 243 K N 0.325 120.681 120.400 -0.073 0.000 2.097 243 K HA -0.198 4.154 4.320 0.053 0.000 0.206 243 K C 1.889 178.375 176.600 -0.190 0.000 1.049 243 K CA 1.380 57.571 56.287 -0.160 0.000 0.933 243 K CB 0.015 32.467 32.500 -0.079 0.000 0.717 243 K HN 0.130 8.380 8.250 -0.000 0.000 0.442 244 E N 0.783 120.911 120.200 -0.120 0.000 2.072 244 E HA -0.117 4.265 4.350 0.053 0.000 0.190 244 E C 2.053 178.576 176.600 -0.127 0.000 0.982 244 E CA 0.604 56.994 56.400 -0.017 0.000 0.803 244 E CB -0.142 29.522 29.700 -0.061 0.000 0.755 244 E HN 0.268 8.628 8.360 -0.000 0.000 0.453 245 I N 1.173 121.508 120.570 -0.392 0.000 2.179 245 I HA -0.232 3.970 4.170 0.053 0.000 0.242 245 I C 2.505 178.460 176.117 -0.268 0.000 1.088 245 I CA 0.885 61.934 61.300 -0.418 0.000 1.357 245 I CB -1.133 36.428 38.000 -0.731 0.000 1.051 245 I HN 0.112 8.322 8.210 -0.000 0.000 0.409 246 L N -0.300 120.743 121.223 -0.300 0.000 2.021 246 L HA -0.298 4.074 4.340 0.053 0.000 0.215 246 L C 2.665 179.439 176.870 -0.160 0.000 1.074 246 L CA 1.725 56.415 54.840 -0.250 0.000 0.760 246 L CB -0.848 41.025 42.059 -0.310 0.000 0.889 246 L HN 0.102 8.332 8.230 -0.000 0.000 0.433 247 F N 0.238 120.125 119.950 -0.105 0.000 2.171 247 F HA -0.199 4.360 4.527 0.053 0.000 0.300 247 F C 2.348 178.134 175.800 -0.023 0.000 1.090 247 F CA 1.508 59.462 58.000 -0.077 0.000 1.293 247 F CB -0.934 38.002 39.000 -0.106 0.000 1.013 247 F HN 0.181 8.481 8.300 -0.000 0.000 0.486 248 N N -0.138 118.632 118.700 0.117 0.000 2.120 248 N HA -0.153 4.619 4.740 0.053 0.000 0.188 248 N C 1.903 177.433 175.510 0.034 0.000 1.024 248 N CA 1.142 54.220 53.050 0.047 0.000 0.852 248 N CB -0.188 38.280 38.487 -0.031 0.000 1.003 248 N HN 0.031 8.411 8.380 -0.000 0.000 0.424 249 V N 1.644 121.557 119.914 -0.001 0.000 2.233 249 V HA -0.306 3.846 4.120 0.053 0.000 0.247 249 V C 2.279 178.394 176.094 0.036 0.000 1.050 249 V CA 1.752 64.044 62.300 -0.014 0.000 1.010 249 V CB -0.915 30.877 31.823 -0.051 0.000 0.637 249 V HN 0.497 8.687 8.190 -0.000 0.000 0.444 250 H N 0.791 119.850 119.070 -0.017 0.000 2.255 250 H HA -0.233 4.355 4.556 0.054 0.000 0.290 250 H C 2.504 177.841 175.328 0.014 0.000 1.087 250 H CA 2.514 58.568 56.048 0.011 0.000 1.213 250 H CB -0.364 29.440 29.762 0.069 0.000 1.349 250 H HN 0.438 8.718 8.280 -0.000 0.000 0.487 251 S N -0.251 115.574 115.700 0.209 0.000 2.393 251 S HA -0.252 4.250 4.470 0.053 0.000 0.234 251 S C 2.628 177.221 174.600 -0.013 0.000 1.064 251 S CA 1.609 59.859 58.200 0.084 0.000 1.088 251 S CB -0.810 62.435 63.200 0.076 0.000 0.939 251 S HN 0.560 8.870 8.310 -0.000 0.000 0.448 252 C N 0.374 119.663 119.300 -0.019 0.000 2.422 252 C HA 0.052 4.544 4.460 0.053 0.000 0.279 252 C C 2.172 177.115 174.990 -0.078 0.000 1.305 252 C CA 0.423 59.415 59.018 -0.043 0.000 1.757 252 C CB -1.263 26.456 27.740 -0.036 0.000 1.962 252 C HN 0.423 8.653 8.230 -0.000 0.000 0.499 253 L N 0.037 121.193 121.223 -0.111 0.000 2.554 253 L HA 0.222 4.594 4.340 0.053 0.000 0.225 253 L C 0.685 177.452 176.870 -0.171 0.000 1.104 253 L CA 0.897 55.656 54.840 -0.135 0.000 0.866 253 L CB -0.613 41.368 42.059 -0.131 0.000 1.047 253 L HN 0.214 8.444 8.230 -0.000 0.000 0.468 254 D N -0.133 120.143 120.400 -0.206 0.000 2.343 254 D HA 0.051 4.723 4.640 0.053 0.000 0.255 254 D C 1.136 177.368 176.300 -0.114 0.000 1.187 254 D CA 0.354 54.229 54.000 -0.209 0.000 0.875 254 D CB 1.078 41.733 40.800 -0.242 0.000 1.136 254 D HN 0.042 8.412 8.370 -0.000 0.000 0.469 255 L N 2.759 123.926 121.223 -0.093 0.000 2.162 255 L HA -0.086 4.286 4.340 0.053 0.000 0.205 255 L C 2.426 179.274 176.870 -0.036 0.000 1.086 255 L CA 1.156 55.959 54.840 -0.061 0.000 0.778 255 L CB -0.353 41.681 42.059 -0.043 0.000 0.928 255 L HN 0.558 8.788 8.230 -0.000 0.000 0.446 256 T N -3.015 111.518 114.554 -0.035 0.000 3.139 256 T HA -0.130 4.252 4.350 0.053 0.000 0.267 256 T C 1.373 176.068 174.700 -0.009 0.000 1.164 256 T CA 0.849 62.939 62.100 -0.016 0.000 1.075 256 T CB -0.107 68.755 68.868 -0.009 0.000 0.904 256 T HN 0.224 8.464 8.240 -0.000 0.000 0.540 257 K N 0.639 121.029 120.400 -0.017 0.000 2.402 257 K HA 0.265 4.617 4.320 0.053 0.000 0.204 257 K C -0.196 176.397 176.600 -0.011 0.000 1.056 257 K CA -0.110 56.172 56.287 -0.009 0.000 1.069 257 K CB 1.367 33.862 32.500 -0.007 0.000 0.888 257 K HN 0.290 8.540 8.250 -0.000 0.000 0.546 258 V N 2.835 122.741 119.914 -0.014 0.000 2.415 258 V HA 0.034 4.186 4.120 0.053 0.000 0.267 258 V C 1.272 177.372 176.094 0.009 0.000 1.042 258 V CA 0.284 62.578 62.300 -0.009 0.000 1.000 258 V CB 0.847 32.660 31.823 -0.017 0.000 1.015 258 V HN 0.249 8.439 8.190 -0.000 0.000 0.478 259 Q N 2.445 122.250 119.800 0.009 0.000 2.435 259 Q HA -0.091 4.281 4.340 0.053 0.000 0.207 259 Q C 2.175 178.190 176.000 0.026 0.000 0.956 259 Q CA 1.077 56.890 55.803 0.016 0.000 0.917 259 Q CB 0.161 28.905 28.738 0.010 0.000 0.997 259 Q HN 0.995 9.265 8.270 -0.000 0.000 0.497 260 S N -0.482 115.235 115.700 0.028 0.000 2.425 260 S HA -0.066 4.436 4.470 0.053 0.000 0.225 260 S C 1.752 176.392 174.600 0.067 0.000 1.024 260 S CA 0.073 58.294 58.200 0.035 0.000 0.951 260 S CB -0.153 63.060 63.200 0.022 0.000 0.796 260 S HN 0.186 8.496 8.310 -0.000 0.000 0.498 261 L N 3.107 124.382 121.223 0.088 0.000 1.997 261 L HA -0.060 4.312 4.340 0.053 0.000 0.227 261 L C -0.766 176.241 176.870 0.228 0.000 1.087 261 L CA 2.237 57.176 54.840 0.166 0.000 0.797 261 L CB -1.722 40.413 42.059 0.127 0.000 0.902 261 L HN 0.205 8.435 8.230 -0.000 0.000 0.441 262 P HA -0.250 4.170 4.420 -0.000 0.000 0.216 262 P C 1.638 179.032 177.300 0.156 0.000 1.157 262 P CA 1.654 64.842 63.100 0.146 0.000 0.880 262 P CB -0.103 31.643 31.700 0.077 0.000 0.791 263 Q N -0.516 119.344 119.800 0.100 0.000 2.020 263 Q HA -0.187 4.185 4.340 0.053 0.000 0.202 263 Q C 2.117 178.150 176.000 0.055 0.000 0.982 263 Q CA 1.552 57.395 55.803 0.066 0.000 0.838 263 Q CB -0.704 28.056 28.738 0.037 0.000 0.899 263 Q HN 0.107 8.377 8.270 -0.000 0.000 0.423 264 I N 0.264 120.846 120.570 0.021 0.000 2.121 264 I HA -0.386 3.816 4.170 0.053 0.000 0.243 264 I C 2.032 178.018 176.117 -0.218 0.000 1.047 264 I CA 2.048 63.275 61.300 -0.122 0.000 1.308 264 I CB -0.447 37.430 38.000 -0.205 0.000 1.015 264 I HN 0.311 8.521 8.210 -0.000 0.000 0.410 265 Y N -0.262 120.127 120.300 0.149 0.000 2.184 265 Y HA -0.217 4.365 4.550 0.053 0.000 0.290 265 Y C 2.599 178.575 175.900 0.128 0.000 1.129 265 Y CA 1.553 59.762 58.100 0.182 0.000 1.144 265 Y CB -0.649 37.885 38.460 0.124 0.000 0.995 265 Y HN 0.210 8.490 8.280 -0.000 0.000 0.513 266 E N 0.832 121.142 120.200 0.183 0.000 2.086 266 E HA -0.348 4.034 4.350 0.053 0.000 0.200 266 E C 2.174 178.845 176.600 0.118 0.000 1.012 266 E CA 1.953 58.423 56.400 0.116 0.000 0.812 266 E CB -0.155 29.591 29.700 0.076 0.000 0.743 266 E HN 0.666 9.026 8.360 -0.000 0.000 0.453 267 E N -0.600 119.668 120.200 0.113 0.000 2.076 267 E HA -0.187 4.195 4.350 0.053 0.000 0.190 267 E C 2.064 178.795 176.600 0.217 0.000 0.979 267 E CA 0.718 57.198 56.400 0.132 0.000 0.807 267 E CB -0.406 29.338 29.700 0.073 0.000 0.761 267 E HN 0.336 8.696 8.360 -0.000 0.000 0.454 268 F N 2.561 122.499 119.950 -0.020 0.000 2.154 268 F HA -0.182 4.367 4.527 0.037 0.000 0.301 268 F C 2.265 178.079 175.800 0.025 0.000 1.087 268 F CA 1.906 59.889 58.000 -0.028 0.000 1.274 268 F CB -0.795 38.134 39.000 -0.118 0.000 1.009 268 F HN 0.156 8.456 8.300 -0.000 0.000 0.485 269 S N -1.949 113.748 115.700 -0.005 0.000 2.528 269 S HA -0.075 4.427 4.470 0.053 0.000 0.219 269 S C 1.832 176.443 174.600 0.018 0.000 0.985 269 S CA 0.574 58.701 58.200 -0.123 0.000 0.914 269 S CB -0.863 62.254 63.200 -0.138 0.000 0.776 269 S HN 0.581 8.891 8.310 -0.000 0.000 0.526 270 H N 2.471 121.548 119.070 0.012 0.000 2.321 270 H HA -0.018 4.575 4.556 0.062 0.000 0.300 270 H C 1.972 177.315 175.328 0.024 0.000 1.087 270 H CA 2.436 58.494 56.048 0.017 0.000 1.319 270 H CB -0.852 28.927 29.762 0.028 0.000 1.379 270 H HN 0.357 8.637 8.280 -0.000 0.000 0.501 271 T N 0.943 115.516 114.554 0.032 0.000 2.622 271 T HA -0.166 4.216 4.350 0.053 0.000 0.266 271 T C 2.262 176.940 174.700 -0.035 0.000 1.047 271 T CA 1.866 63.964 62.100 -0.003 0.000 1.159 271 T CB -0.452 68.494 68.868 0.131 0.000 0.863 271 T HN 0.297 8.537 8.240 -0.000 0.000 0.422 272 I N 1.594 122.154 120.570 -0.017 0.000 2.248 272 I HA -0.246 3.956 4.170 0.053 0.000 0.248 272 I C 2.616 178.681 176.117 -0.087 0.000 1.107 272 I CA 1.034 62.297 61.300 -0.061 0.000 1.373 272 I CB -0.433 37.483 38.000 -0.139 0.000 1.055 272 I HN 0.211 8.421 8.210 -0.000 0.000 0.418 273 N N 1.034 119.666 118.700 -0.112 0.000 2.244 273 N HA -0.145 4.627 4.740 0.053 0.000 0.183 273 N C 1.391 176.826 175.510 -0.125 0.000 1.016 273 N CA 1.022 54.005 53.050 -0.111 0.000 0.866 273 N CB -0.333 38.092 38.487 -0.102 0.000 0.980 273 N HN 0.345 8.725 8.380 -0.000 0.000 0.430 274 N N 0.880 119.474 118.700 -0.176 0.000 2.573 274 N HA -0.038 4.734 4.740 0.053 0.000 0.187 274 N C 0.014 175.474 175.510 -0.083 0.000 1.107 274 N CA 0.111 53.073 53.050 -0.146 0.000 0.918 274 N CB -0.193 38.188 38.487 -0.177 0.000 0.966 274 N HN 0.151 8.531 8.380 -0.000 0.000 0.448 275 A N 1.121 123.900 122.820 -0.068 0.000 2.484 275 A HA 0.066 4.418 4.320 0.053 0.000 0.268 275 A C -0.199 177.359 177.584 -0.044 0.000 1.114 275 A CA 0.019 52.027 52.037 -0.049 0.000 0.780 275 A CB -0.056 18.922 19.000 -0.037 0.000 1.061 275 A HN 0.008 8.158 8.150 -0.000 0.000 0.505 276 D N 2.369 122.747 120.400 -0.038 0.000 2.462 276 D HA 0.329 5.001 4.640 0.053 0.000 0.245 276 D C 1.151 177.449 176.300 -0.005 0.000 1.122 276 D CA -0.514 53.475 54.000 -0.017 0.000 0.864 276 D CB 1.349 42.145 40.800 -0.006 0.000 1.098 276 D HN 0.531 8.901 8.370 -0.000 0.000 0.541 277 Q N 2.874 122.673 119.800 -0.001 0.000 2.124 277 Q HA -0.234 4.138 4.340 0.053 0.000 0.202 277 Q C 1.676 177.710 176.000 0.056 0.000 0.977 277 Q CA 1.695 57.505 55.803 0.012 0.000 0.850 277 Q CB -0.343 28.399 28.738 0.007 0.000 0.901 277 Q HN 0.615 8.885 8.270 -0.000 0.000 0.429 278 Q N 0.597 120.431 119.800 0.057 0.000 2.016 278 Q HA -0.146 4.226 4.340 0.053 0.000 0.200 278 Q C 2.052 178.122 176.000 0.115 0.000 0.978 278 Q CA 1.255 57.108 55.803 0.082 0.000 0.833 278 Q CB -0.052 28.724 28.738 0.063 0.000 0.895 278 Q HN 0.371 8.641 8.270 -0.000 0.000 0.427 279 K N 0.183 120.641 120.400 0.096 0.000 2.052 279 K HA -0.230 4.122 4.320 0.053 0.000 0.215 279 K C 1.699 178.419 176.600 0.199 0.000 1.053 279 K CA 2.028 58.390 56.287 0.125 0.000 0.934 279 K CB -0.187 32.358 32.500 0.075 0.000 0.717 279 K HN 0.365 8.615 8.250 -0.000 0.000 0.450 280 D N 0.574 121.066 120.400 0.154 0.000 2.097 280 D HA -0.129 4.543 4.640 0.053 0.000 0.195 280 D C 2.042 178.631 176.300 0.482 0.000 0.989 280 D CA 0.885 55.029 54.000 0.240 0.000 0.827 280 D CB -0.265 40.525 40.800 -0.017 0.000 0.966 280 D HN 0.168 8.538 8.370 -0.000 0.000 0.456 281 L N 0.432 121.854 121.223 0.332 0.000 2.083 281 L HA -0.144 4.228 4.340 0.053 0.000 0.209 281 L C 2.363 179.463 176.870 0.383 0.000 1.083 281 L CA 1.109 56.167 54.840 0.362 0.000 0.752 281 L CB -0.226 41.959 42.059 0.210 0.000 0.899 281 L HN -0.022 8.208 8.230 -0.000 0.000 0.433 282 K N -0.932 119.648 120.400 0.299 0.000 2.097 282 K HA -0.240 4.112 4.320 0.053 0.000 0.205 282 K C 1.914 178.674 176.600 0.267 0.000 1.050 282 K CA 1.685 58.113 56.287 0.235 0.000 0.938 282 K CB -0.277 32.329 32.500 0.176 0.000 0.718 282 K HN 0.301 8.551 8.250 -0.000 0.000 0.442 283 W N 0.823 122.236 121.300 0.188 0.000 2.374 283 W HA -0.220 4.493 4.660 0.090 0.000 0.288 283 W C 1.822 178.450 176.519 0.181 0.000 1.218 283 W CA 1.076 58.520 57.345 0.166 0.000 1.245 283 W CB -0.090 29.498 29.460 0.213 0.000 1.126 283 W HN 0.258 8.438 8.180 -0.000 0.000 0.545 284 W N 0.673 122.158 121.300 0.308 0.000 2.409 284 W HA -0.144 4.551 4.660 0.058 0.000 0.299 284 W C 2.317 178.803 176.519 -0.055 0.000 1.203 284 W CA 1.824 59.259 57.345 0.150 0.000 1.298 284 W CB -1.062 28.545 29.460 0.245 0.000 1.127 284 W HN -0.088 8.092 8.180 -0.000 0.000 0.528 285 S N 1.291 117.076 115.700 0.141 0.000 2.382 285 S HA -0.213 4.289 4.470 0.053 0.000 0.228 285 S C 1.517 175.995 174.600 -0.203 0.000 1.027 285 S CA 1.809 60.012 58.200 0.005 0.000 0.991 285 S CB -0.438 62.813 63.200 0.086 0.000 0.823 285 S HN 0.272 8.582 8.310 -0.000 0.000 0.469 286 N N 1.792 120.329 118.700 -0.272 0.000 2.188 286 N HA -0.008 4.764 4.740 0.053 0.000 0.184 286 N C 1.187 176.367 175.510 -0.550 0.000 1.018 286 N CA 1.404 54.240 53.050 -0.357 0.000 0.858 286 N CB -0.672 37.615 38.487 -0.334 0.000 0.989 286 N HN 0.565 8.945 8.380 -0.000 0.000 0.426 287 N N -1.128 117.044 118.700 -0.880 0.000 2.322 287 N HA 0.084 4.856 4.740 0.053 0.000 0.181 287 N C 0.421 175.149 175.510 -1.303 0.000 1.088 287 N CA 0.381 52.736 53.050 -1.160 0.000 0.885 287 N CB 0.408 37.865 38.487 -1.717 0.000 1.013 287 N HN 0.291 8.671 8.380 -0.000 0.000 0.472 288 H N -2.061 116.516 119.070 -0.821 0.000 3.540 288 H HA 0.401 4.988 4.556 0.050 0.000 0.259 288 H C 0.597 175.649 175.328 -0.460 0.000 1.197 288 H CA 0.160 55.741 56.048 -0.778 0.000 1.136 288 H CB 1.040 29.952 29.762 -1.417 0.000 1.605 288 H HN 0.148 8.428 8.280 -0.000 0.000 0.657 289 G N 0.594 109.247 108.800 -0.246 0.000 3.107 289 G HA2 0.278 4.270 3.960 0.053 0.000 0.233 289 G HA3 0.278 4.270 3.960 0.053 0.000 0.233 289 G C 1.019 175.889 174.900 -0.051 0.000 1.168 289 G CA -0.199 44.870 45.100 -0.051 0.000 0.801 289 G HN 0.103 8.393 8.290 -0.000 0.000 0.605 290 I N -1.154 119.422 120.570 0.011 0.000 2.614 290 I HA 0.071 4.273 4.170 0.053 0.000 0.258 290 I C 0.932 177.044 176.117 -0.010 0.000 1.189 290 I CA 0.771 62.080 61.300 0.015 0.000 1.462 290 I CB -0.354 37.675 38.000 0.048 0.000 1.092 290 I HN 0.168 8.378 8.210 -0.000 0.000 0.442 296 W N 1.271 122.561 121.300 -0.018 0.000 2.049 296 W HA 0.484 5.176 4.660 0.053 0.000 0.356 296 W C -1.393 175.117 176.519 -0.014 0.000 1.323 296 W CA -0.813 56.523 57.345 -0.015 0.000 1.336 296 W CB 0.002 29.454 29.460 -0.013 0.000 1.176 296 W HN 0.341 8.521 8.180 -0.000 0.000 0.623 297 P HA 0.227 4.647 4.420 -0.000 0.000 0.271 297 P C -0.766 176.596 177.300 0.102 0.000 1.216 297 P CA 0.028 63.195 63.100 0.111 0.000 0.771 297 P CB 1.298 33.053 31.700 0.092 0.000 0.864 298 S N 0.000 115.738 115.700 0.063 0.000 2.498 298 S HA 0.000 4.502 4.470 0.053 0.000 0.327 298 S CA 0.000 58.227 58.200 0.046 0.000 1.107 298 S CB 0.000 63.227 63.200 0.045 0.000 0.593 298 S HN 0.000 8.310 8.310 -0.000 0.000 0.517