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 3lqf_1_A DATA FIRST_RESID 1 DATA SEQUENCE MDYRTVFRLD GACAAVTGAG SGIGLEICRA FAASGARLIL IDREAAALDR DATA SEQUENCE AAQELGAAVA ARIVADVTDA EAMTAAAAEA EAVAPVSILV NSAGIARLHD DATA SEQUENCE ALETDDATWR QVMAVNVDGM FWASRAFGRA MVARGAGAIV NLGSMSGTIV DATA SEQUENCE NRPQFASSYM ASKGAVHQLT RALAAEWAGR GVRVNALAPG YVATEMTLKM DATA SEQUENCE RERPELFETW LDMTPMGRCG EPSEIAAAAL FLASPAASYV TGAILAVDGG DATA SEQUENCE YTVW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.011 176.300 -0.482 0.000 1.140 1 M CA 0.000 55.063 55.300 -0.395 0.000 0.988 1 M CB 0.000 32.331 32.600 -0.449 0.000 1.302 2 D N 0.756 120.958 120.400 -0.331 0.000 2.380 2 D HA 0.360 4.995 4.640 -0.008 0.000 0.230 2 D C -0.100 176.067 176.300 -0.222 0.000 1.154 2 D CA 0.131 53.998 54.000 -0.222 0.000 0.859 2 D CB 0.397 41.137 40.800 -0.101 0.000 1.045 2 D HN 0.545 8.915 8.370 -0.000 0.000 0.495 3 Y N 2.447 122.740 120.300 -0.011 0.000 2.352 3 Y HA -0.008 4.537 4.550 -0.008 0.000 0.292 3 Y C 2.301 178.242 175.900 0.068 0.000 1.136 3 Y CA 0.633 58.735 58.100 0.003 0.000 1.227 3 Y CB -0.040 38.443 38.460 0.039 0.000 0.991 3 Y HN 0.360 8.640 8.280 -0.000 0.000 0.545 4 R N -0.506 120.110 120.500 0.194 0.000 2.193 4 R HA -0.113 4.223 4.340 -0.008 0.000 0.229 4 R C 1.507 177.889 176.300 0.137 0.000 1.110 4 R CA 1.805 57.999 56.100 0.156 0.000 0.988 4 R CB -0.454 29.906 30.300 0.100 0.000 0.871 4 R HN 0.451 8.721 8.270 -0.000 0.000 0.458 5 T N -4.286 110.316 114.554 0.080 0.000 3.043 5 T HA 0.114 4.460 4.350 -0.008 0.000 0.272 5 T C 1.408 176.110 174.700 0.005 0.000 0.990 5 T CA -0.225 61.906 62.100 0.052 0.000 0.897 5 T CB 0.463 69.338 68.868 0.011 0.000 1.111 5 T HN -0.060 8.180 8.240 -0.000 0.000 0.529 6 V N 0.825 120.695 119.914 -0.073 0.000 2.720 6 V HA 0.081 4.196 4.120 -0.008 0.000 0.256 6 V C 1.337 177.252 176.094 -0.297 0.000 1.082 6 V CA 1.426 63.579 62.300 -0.245 0.000 1.101 6 V CB -0.857 30.741 31.823 -0.375 0.000 0.693 6 V HN 0.630 8.820 8.190 -0.000 0.000 0.479 7 F N 0.019 120.004 119.950 0.059 0.000 2.797 7 F HA 0.293 4.815 4.527 -0.007 0.000 0.302 7 F C 1.360 177.161 175.800 0.001 0.000 1.130 7 F CA -0.213 57.821 58.000 0.057 0.000 1.387 7 F CB -0.135 38.922 39.000 0.096 0.000 1.107 7 F HN -0.003 8.297 8.300 -0.000 0.000 0.577 8 R N 0.884 121.449 120.500 0.109 0.000 2.560 8 R HA 0.374 4.710 4.340 -0.008 0.000 0.270 8 R C 0.427 176.706 176.300 -0.035 0.000 1.074 8 R CA -0.239 55.886 56.100 0.041 0.000 1.140 8 R CB 0.796 31.116 30.300 0.033 0.000 1.073 8 R HN 0.247 8.517 8.270 -0.000 0.000 0.527 9 L N 1.009 122.195 121.223 -0.062 0.000 3.168 9 L HA 0.223 4.559 4.340 -0.008 0.000 0.277 9 L C -0.199 176.631 176.870 -0.068 0.000 1.245 9 L CA -0.279 54.494 54.840 -0.112 0.000 1.035 9 L CB 0.325 42.255 42.059 -0.215 0.000 1.399 9 L HN 0.358 8.588 8.230 -0.000 0.000 0.580 10 D N 1.633 122.010 120.400 -0.038 0.000 2.493 10 D HA 0.133 4.768 4.640 -0.008 0.000 0.240 10 D C 1.260 177.544 176.300 -0.028 0.000 1.142 10 D CA 1.542 55.528 54.000 -0.023 0.000 0.872 10 D CB 1.551 42.343 40.800 -0.013 0.000 1.173 10 D HN 0.391 8.761 8.370 -0.000 0.000 0.467 11 G N 1.392 110.180 108.800 -0.020 0.000 2.253 11 G HA2 -0.238 3.717 3.960 -0.008 0.000 0.251 11 G HA3 -0.238 3.717 3.960 -0.008 0.000 0.251 11 G C 0.463 175.350 174.900 -0.022 0.000 0.998 11 G CA 0.292 45.380 45.100 -0.019 0.000 0.621 11 G HN 0.863 9.153 8.290 -0.000 0.000 0.524 12 A N -0.782 122.018 122.820 -0.033 0.000 2.286 12 A HA 0.665 4.981 4.320 -0.008 0.000 0.286 12 A C 0.463 178.038 177.584 -0.015 0.000 1.097 12 A CA 0.473 52.487 52.037 -0.037 0.000 0.821 12 A CB 1.163 20.118 19.000 -0.074 0.000 1.076 12 A HN 1.595 9.745 8.150 -0.000 0.000 0.490 13 C N 1.762 121.061 119.300 -0.003 0.000 2.340 13 C HA 0.754 5.210 4.460 -0.008 0.000 0.323 13 C C 0.339 175.346 174.990 0.028 0.000 1.260 13 C CA 0.013 59.044 59.018 0.021 0.000 1.464 13 C CB -0.429 27.329 27.740 0.030 0.000 2.156 13 C HN 1.119 9.349 8.230 -0.000 0.000 0.476 14 A N 4.671 127.526 122.820 0.058 0.000 2.304 14 A HA 0.828 5.144 4.320 -0.008 0.000 0.323 14 A C -0.006 177.583 177.584 0.010 0.000 1.195 14 A CA -0.171 51.915 52.037 0.082 0.000 0.826 14 A CB 0.883 20.050 19.000 0.278 0.000 1.184 14 A HN 1.608 9.758 8.150 -0.000 0.000 0.496 15 A N 2.019 124.767 122.820 -0.120 0.000 2.301 15 A HA 0.628 4.944 4.320 -0.008 0.000 0.298 15 A C -0.506 176.934 177.584 -0.239 0.000 1.185 15 A CA -0.339 51.525 52.037 -0.288 0.000 0.830 15 A CB 0.447 18.951 19.000 -0.826 0.000 1.112 15 A HN 1.154 9.304 8.150 -0.000 0.000 0.508 16 V N 2.910 122.716 119.914 -0.181 0.000 2.443 16 V HA 0.449 4.565 4.120 -0.008 0.000 0.293 16 V C 0.439 176.458 176.094 -0.124 0.000 1.021 16 V CA -0.296 61.914 62.300 -0.150 0.000 0.848 16 V CB 1.648 33.381 31.823 -0.150 0.000 0.998 16 V HN 1.073 9.263 8.190 -0.000 0.000 0.424 17 T N 0.615 115.104 114.554 -0.109 0.000 2.909 17 T HA 0.567 4.913 4.350 -0.008 0.000 0.289 17 T C 1.085 175.758 174.700 -0.045 0.000 1.005 17 T CA 0.444 62.511 62.100 -0.056 0.000 1.084 17 T CB 1.392 70.244 68.868 -0.027 0.000 0.975 17 T HN 2.036 10.276 8.240 -0.000 0.000 0.509 18 G N 1.173 109.959 108.800 -0.023 0.000 2.160 18 G HA2 -0.127 3.828 3.960 -0.008 0.000 0.251 18 G HA3 -0.127 3.828 3.960 -0.008 0.000 0.251 18 G C 0.946 175.825 174.900 -0.035 0.000 1.008 18 G CA 0.083 45.170 45.100 -0.021 0.000 0.724 18 G HN 1.526 9.816 8.290 -0.000 0.000 0.514 19 A N -0.244 122.552 122.820 -0.040 0.000 2.172 19 A HA 0.382 4.697 4.320 -0.008 0.000 0.216 19 A C 2.518 180.082 177.584 -0.034 0.000 1.154 19 A CA 2.049 54.057 52.037 -0.049 0.000 0.701 19 A CB -0.389 18.582 19.000 -0.048 0.000 0.789 19 A HN 1.563 9.713 8.150 -0.000 0.000 0.465 20 G N -1.559 107.229 108.800 -0.020 0.000 2.650 20 G HA2 0.292 4.248 3.960 -0.008 0.000 0.214 20 G HA3 0.292 4.248 3.960 -0.008 0.000 0.214 20 G C 0.495 175.388 174.900 -0.011 0.000 1.136 20 G CA 1.025 46.118 45.100 -0.011 0.000 0.789 20 G HN 0.698 8.988 8.290 -0.000 0.000 0.536 21 S N -2.727 112.964 115.700 -0.015 0.000 2.565 21 S HA 0.559 5.025 4.470 -0.008 0.000 0.269 21 S C 0.550 175.141 174.600 -0.016 0.000 1.153 21 S CA 0.685 58.878 58.200 -0.012 0.000 0.835 21 S CB 0.912 64.110 63.200 -0.004 0.000 1.122 21 S HN 1.581 9.891 8.310 -0.000 0.000 0.462 22 G N 3.005 111.798 108.800 -0.011 0.000 2.591 22 G HA2 -0.287 3.669 3.960 -0.008 0.000 0.298 22 G HA3 -0.287 3.669 3.960 -0.008 0.000 0.298 22 G C 0.874 175.761 174.900 -0.021 0.000 1.195 22 G CA 0.597 45.691 45.100 -0.009 0.000 0.989 22 G HN 1.053 9.343 8.290 -0.000 0.000 0.551 23 I N 1.942 122.498 120.570 -0.023 0.000 2.252 23 I HA -0.003 4.163 4.170 -0.008 0.000 0.245 23 I C 3.131 179.203 176.117 -0.075 0.000 1.102 23 I CA 1.754 63.030 61.300 -0.039 0.000 1.385 23 I CB -0.764 37.218 38.000 -0.029 0.000 1.064 23 I HN 0.633 8.843 8.210 -0.000 0.000 0.414 24 G N 1.204 109.961 108.800 -0.073 0.000 2.446 24 G HA2 -0.290 3.666 3.960 -0.008 0.000 0.217 24 G HA3 -0.290 3.666 3.960 -0.008 0.000 0.217 24 G C 1.636 176.466 174.900 -0.117 0.000 1.168 24 G CA 0.864 45.901 45.100 -0.104 0.000 0.771 24 G HN 0.270 8.560 8.290 -0.000 0.000 0.551 25 L N 0.552 121.729 121.223 -0.076 0.000 2.093 25 L HA 0.115 4.451 4.340 -0.008 0.000 0.208 25 L C 2.530 179.357 176.870 -0.072 0.000 1.085 25 L CA 2.350 57.151 54.840 -0.065 0.000 0.755 25 L CB -0.558 41.479 42.059 -0.037 0.000 0.904 25 L HN 0.286 8.516 8.230 -0.000 0.000 0.435 26 E N -0.069 120.090 120.200 -0.068 0.000 2.106 26 E HA -0.187 4.158 4.350 -0.008 0.000 0.192 26 E C 2.126 178.664 176.600 -0.103 0.000 0.984 26 E CA 1.632 57.996 56.400 -0.061 0.000 0.806 26 E CB -0.355 29.321 29.700 -0.039 0.000 0.750 26 E HN 0.609 8.969 8.360 -0.000 0.000 0.458 27 I N -0.239 120.220 120.570 -0.185 0.000 2.226 27 I HA -0.364 3.801 4.170 -0.008 0.000 0.245 27 I C 2.234 178.068 176.117 -0.472 0.000 1.100 27 I CA 0.843 61.910 61.300 -0.388 0.000 1.374 27 I CB -0.252 37.439 38.000 -0.516 0.000 1.057 27 I HN 0.277 8.487 8.210 -0.000 0.000 0.413 28 C N 0.583 119.704 119.300 -0.298 0.000 2.413 28 C HA -0.178 4.277 4.460 -0.008 0.000 0.276 28 C C 2.885 177.850 174.990 -0.040 0.000 1.248 28 C CA 0.938 59.861 59.018 -0.157 0.000 1.742 28 C CB -1.308 26.376 27.740 -0.094 0.000 2.017 28 C HN 0.435 8.665 8.230 -0.000 0.000 0.481 29 R N 1.037 121.515 120.500 -0.035 0.000 2.081 29 R HA -0.106 4.230 4.340 -0.008 0.000 0.235 29 R C 2.413 178.748 176.300 0.059 0.000 1.131 29 R CA 1.648 57.756 56.100 0.013 0.000 0.960 29 R CB -0.535 29.767 30.300 0.004 0.000 0.856 29 R HN 0.562 8.832 8.270 -0.000 0.000 0.436 30 A N 0.842 123.701 122.820 0.066 0.000 1.902 30 A HA -0.140 4.176 4.320 -0.008 0.000 0.217 30 A C 1.829 179.610 177.584 0.329 0.000 1.181 30 A CA 1.179 53.316 52.037 0.166 0.000 0.623 30 A CB -0.469 18.635 19.000 0.174 0.000 0.818 30 A HN 0.161 8.311 8.150 -0.000 0.000 0.443 31 F N 0.038 119.997 119.950 0.015 0.000 2.206 31 F HA 0.037 4.561 4.527 -0.005 0.000 0.298 31 F C 2.814 178.623 175.800 0.014 0.000 1.090 31 F CA 0.140 58.149 58.000 0.015 0.000 1.323 31 F CB -1.175 37.827 39.000 0.004 0.000 1.028 31 F HN 0.276 8.576 8.300 -0.000 0.000 0.492 32 A N 0.176 123.120 122.820 0.207 0.000 1.877 32 A HA -0.066 4.250 4.320 -0.008 0.000 0.216 32 A C 2.460 180.095 177.584 0.086 0.000 1.186 32 A CA 1.900 54.005 52.037 0.112 0.000 0.620 32 A CB -1.289 17.757 19.000 0.077 0.000 0.822 32 A HN 0.264 8.414 8.150 -0.000 0.000 0.443 33 A N -0.813 122.061 122.820 0.090 0.000 2.024 33 A HA -0.028 4.287 4.320 -0.008 0.000 0.220 33 A C 2.112 179.735 177.584 0.065 0.000 1.164 33 A CA 1.892 53.970 52.037 0.068 0.000 0.643 33 A CB -0.513 18.526 19.000 0.066 0.000 0.806 33 A HN 0.430 8.580 8.150 -0.000 0.000 0.451 34 S N -1.991 113.755 115.700 0.076 0.000 2.577 34 S HA 0.402 4.867 4.470 -0.008 0.000 0.219 34 S C 1.258 175.870 174.600 0.021 0.000 0.962 34 S CA 0.678 58.908 58.200 0.050 0.000 0.921 34 S CB 0.337 63.562 63.200 0.042 0.000 0.789 34 S HN 1.537 9.847 8.310 -0.000 0.000 0.497 35 G N 1.134 109.952 108.800 0.029 0.000 2.179 35 G HA2 -0.131 3.824 3.960 -0.008 0.000 0.220 35 G HA3 -0.131 3.824 3.960 -0.008 0.000 0.220 35 G C 0.143 175.048 174.900 0.008 0.000 0.990 35 G CA -0.247 44.861 45.100 0.015 0.000 0.646 35 G HN 0.780 9.070 8.290 -0.000 0.000 0.517 36 A N 0.380 123.209 122.820 0.016 0.000 2.340 36 A HA 0.784 5.100 4.320 -0.008 0.000 0.268 36 A C 0.757 178.369 177.584 0.047 0.000 1.100 36 A CA -0.092 51.956 52.037 0.019 0.000 0.803 36 A CB 0.440 19.451 19.000 0.018 0.000 1.043 36 A HN 0.456 8.606 8.150 -0.000 0.000 0.488 37 R N 0.227 120.750 120.500 0.037 0.000 2.528 37 R HA 0.634 4.969 4.340 -0.008 0.000 0.271 37 R C -1.069 175.266 176.300 0.057 0.000 1.056 37 R CA -0.387 55.738 56.100 0.042 0.000 1.117 37 R CB 0.770 31.088 30.300 0.030 0.000 1.085 37 R HN 0.653 8.923 8.270 -0.000 0.000 0.530 38 L N 2.455 123.708 121.223 0.051 0.000 2.386 38 L HA 0.483 4.819 4.340 -0.008 0.000 0.271 38 L C -0.721 176.169 176.870 0.032 0.000 0.993 38 L CA -0.951 53.918 54.840 0.049 0.000 0.819 38 L CB 1.994 44.081 42.059 0.046 0.000 1.294 38 L HN 0.349 8.579 8.230 -0.000 0.000 0.414 39 I N 4.362 124.943 120.570 0.017 0.000 2.328 39 I HA 0.353 4.519 4.170 -0.008 0.000 0.287 39 I C -0.185 175.924 176.117 -0.014 0.000 1.012 39 I CA -0.387 60.923 61.300 0.016 0.000 1.195 39 I CB 1.308 39.328 38.000 0.033 0.000 1.350 39 I HN 0.422 8.632 8.210 -0.000 0.000 0.464 40 L N 7.249 128.473 121.223 0.002 0.000 2.276 40 L HA 0.562 4.897 4.340 -0.008 0.000 0.286 40 L C -0.194 176.679 176.870 0.004 0.000 1.061 40 L CA -0.348 54.486 54.840 -0.010 0.000 0.807 40 L CB 0.974 43.031 42.059 -0.004 0.000 1.177 40 L HN 0.391 8.621 8.230 -0.000 0.000 0.429 41 I N 3.126 123.691 120.570 -0.009 0.000 2.436 41 I HA 0.482 4.648 4.170 -0.008 0.000 0.289 41 I C -0.720 175.404 176.117 0.010 0.000 1.010 41 I CA -0.211 61.099 61.300 0.017 0.000 1.098 41 I CB 2.000 40.016 38.000 0.026 0.000 1.266 41 I HN 0.618 8.828 8.210 -0.000 0.000 0.434 42 D N 4.187 124.600 120.400 0.022 0.000 2.663 42 D HA 0.165 4.800 4.640 -0.008 0.000 0.233 42 D C 0.154 176.470 176.300 0.027 0.000 1.240 42 D CA -0.539 53.473 54.000 0.019 0.000 0.774 42 D CB 2.079 42.884 40.800 0.009 0.000 1.443 42 D HN 0.666 9.036 8.370 -0.000 0.000 0.441 43 R N 1.029 121.546 120.500 0.028 0.000 2.276 43 R HA 0.111 4.446 4.340 -0.008 0.000 0.203 43 R C -0.016 176.298 176.300 0.023 0.000 1.017 43 R CA 0.555 56.673 56.100 0.030 0.000 1.010 43 R CB 0.210 30.530 30.300 0.033 0.000 0.900 43 R HN 0.200 8.470 8.270 -0.000 0.000 0.469 44 E N 0.961 121.172 120.200 0.019 0.000 2.035 44 E HA 0.250 4.595 4.350 -0.008 0.000 0.271 44 E C 0.189 176.797 176.600 0.013 0.000 0.953 44 E CA -0.262 56.147 56.400 0.015 0.000 0.777 44 E CB 1.610 31.317 29.700 0.012 0.000 1.104 44 E HN 0.320 8.680 8.360 -0.000 0.000 0.408 45 A N 3.623 126.451 122.820 0.014 0.000 1.883 45 A HA -0.244 4.072 4.320 -0.008 0.000 0.217 45 A C 2.178 179.768 177.584 0.010 0.000 1.186 45 A CA 2.060 54.104 52.037 0.013 0.000 0.624 45 A CB -0.419 18.589 19.000 0.013 0.000 0.822 45 A HN 0.660 8.810 8.150 -0.000 0.000 0.444 46 A N -0.253 122.572 122.820 0.009 0.000 1.877 46 A HA 0.149 4.465 4.320 -0.008 0.000 0.216 46 A C 2.537 180.124 177.584 0.006 0.000 1.186 46 A CA 2.235 54.276 52.037 0.007 0.000 0.620 46 A CB -1.109 17.895 19.000 0.007 0.000 0.822 46 A HN 1.138 9.288 8.150 -0.000 0.000 0.443 47 A N -0.359 122.464 122.820 0.006 0.000 1.908 47 A HA -0.089 4.226 4.320 -0.008 0.000 0.218 47 A C 2.192 179.778 177.584 0.003 0.000 1.181 47 A CA 1.535 53.575 52.037 0.004 0.000 0.627 47 A CB -0.612 18.390 19.000 0.004 0.000 0.818 47 A HN 0.480 8.630 8.150 -0.000 0.000 0.445 48 L N -0.500 120.726 121.223 0.005 0.000 2.046 48 L HA -0.207 4.129 4.340 -0.008 0.000 0.208 48 L C 2.063 178.936 176.870 0.005 0.000 1.077 48 L CA 1.672 56.515 54.840 0.005 0.000 0.747 48 L CB -0.670 41.394 42.059 0.009 0.000 0.896 48 L HN 0.387 8.617 8.230 -0.000 0.000 0.432 49 D N -0.275 120.129 120.400 0.007 0.000 2.117 49 D HA -0.166 4.470 4.640 -0.008 0.000 0.197 49 D C 2.282 178.585 176.300 0.005 0.000 0.987 49 D CA 1.088 55.092 54.000 0.007 0.000 0.829 49 D CB -0.132 40.672 40.800 0.007 0.000 0.961 49 D HN 0.262 8.632 8.370 -0.000 0.000 0.460 50 R N 0.666 121.168 120.500 0.004 0.000 2.081 50 R HA -0.022 4.313 4.340 -0.008 0.000 0.235 50 R C 2.339 178.640 176.300 0.002 0.000 1.131 50 R CA 1.186 57.287 56.100 0.003 0.000 0.960 50 R CB -0.309 29.992 30.300 0.002 0.000 0.856 50 R HN 0.109 8.379 8.270 -0.000 0.000 0.436 51 A N 1.403 124.223 122.820 -0.000 0.000 1.883 51 A HA -0.179 4.137 4.320 -0.008 0.000 0.217 51 A C 2.398 179.983 177.584 0.001 0.000 1.186 51 A CA 1.912 53.948 52.037 -0.003 0.000 0.624 51 A CB -0.768 18.228 19.000 -0.007 0.000 0.822 51 A HN 0.417 8.567 8.150 -0.000 0.000 0.444 52 A N -1.189 121.633 122.820 0.004 0.000 1.933 52 A HA -0.193 4.122 4.320 -0.008 0.000 0.218 52 A C 2.156 179.744 177.584 0.008 0.000 1.175 52 A CA 2.085 54.126 52.037 0.007 0.000 0.628 52 A CB -0.542 18.463 19.000 0.009 0.000 0.814 52 A HN 0.599 8.749 8.150 -0.000 0.000 0.444 53 Q N -0.254 119.550 119.800 0.006 0.000 2.020 53 Q HA -0.203 4.132 4.340 -0.008 0.000 0.202 53 Q C 2.072 178.076 176.000 0.007 0.000 0.982 53 Q CA 2.140 57.947 55.803 0.007 0.000 0.838 53 Q CB -0.255 28.486 28.738 0.005 0.000 0.899 53 Q HN 0.754 9.024 8.270 -0.000 0.000 0.423 54 E N -0.524 119.679 120.200 0.005 0.000 2.077 54 E HA -0.175 4.171 4.350 -0.008 0.000 0.193 54 E C 1.746 178.351 176.600 0.008 0.000 0.989 54 E CA 1.147 57.551 56.400 0.006 0.000 0.800 54 E CB -0.030 29.672 29.700 0.003 0.000 0.746 54 E HN 0.421 8.781 8.360 -0.000 0.000 0.452 55 L N -0.405 120.823 121.223 0.009 0.000 2.418 55 L HA 0.109 4.445 4.340 -0.008 0.000 0.218 55 L C 1.589 178.469 176.870 0.016 0.000 1.125 55 L CA 0.358 55.206 54.840 0.013 0.000 0.835 55 L CB -0.338 41.728 42.059 0.012 0.000 0.953 55 L HN 0.346 8.576 8.230 -0.000 0.000 0.454 56 G N 0.517 109.325 108.800 0.014 0.000 2.556 56 G HA2 -0.443 3.512 3.960 -0.008 0.000 0.283 56 G HA3 -0.443 3.512 3.960 -0.008 0.000 0.283 56 G C 0.930 175.840 174.900 0.016 0.000 1.177 56 G CA 0.460 45.569 45.100 0.014 0.000 0.978 56 G HN 0.341 8.631 8.290 -0.000 0.000 0.554 57 A N -0.075 122.754 122.820 0.016 0.000 2.121 57 A HA 0.416 4.731 4.320 -0.008 0.000 0.218 57 A C 2.849 180.445 177.584 0.020 0.000 1.154 57 A CA 2.699 54.746 52.037 0.017 0.000 0.679 57 A CB -0.789 18.220 19.000 0.015 0.000 0.795 57 A HN 2.228 10.378 8.150 -0.000 0.000 0.458 58 A N -0.393 122.441 122.820 0.024 0.000 2.067 58 A HA 0.193 4.509 4.320 -0.008 0.000 0.219 58 A C 0.968 178.570 177.584 0.031 0.000 1.158 58 A CA 0.845 52.900 52.037 0.031 0.000 0.661 58 A CB -0.565 18.458 19.000 0.039 0.000 0.801 58 A HN 0.325 8.475 8.150 -0.000 0.000 0.452 59 V N 0.554 120.483 119.914 0.025 0.000 2.415 59 V HA 0.308 4.424 4.120 -0.008 0.000 0.267 59 V C 1.458 177.567 176.094 0.024 0.000 1.042 59 V CA 0.232 62.546 62.300 0.024 0.000 1.000 59 V CB 0.207 32.042 31.823 0.019 0.000 1.015 59 V HN 0.462 8.652 8.190 -0.000 0.000 0.478 60 A N 4.433 127.270 122.820 0.028 0.000 1.898 60 A HA 0.605 4.920 4.320 -0.008 0.000 0.214 60 A C 1.130 178.732 177.584 0.030 0.000 1.183 60 A CA 1.181 53.236 52.037 0.029 0.000 0.622 60 A CB 0.075 19.095 19.000 0.034 0.000 0.824 60 A HN 1.174 9.324 8.150 -0.000 0.000 0.444 61 A N -0.701 122.140 122.820 0.035 0.000 2.606 61 A HA 0.652 4.967 4.320 -0.008 0.000 0.293 61 A C -0.716 176.889 177.584 0.035 0.000 1.082 61 A CA -0.680 51.379 52.037 0.037 0.000 0.685 61 A CB 0.916 19.946 19.000 0.049 0.000 1.284 61 A HN 0.589 8.739 8.150 -0.000 0.000 0.408 62 R N 1.081 121.601 120.500 0.033 0.000 2.575 62 R HA 0.750 5.086 4.340 -0.008 0.000 0.293 62 R C -2.104 174.219 176.300 0.037 0.000 0.983 62 R CA -0.480 55.638 56.100 0.030 0.000 0.887 62 R CB 1.067 31.380 30.300 0.021 0.000 1.184 62 R HN 0.515 8.785 8.270 -0.000 0.000 0.445 63 I N 3.254 123.851 120.570 0.045 0.000 2.410 63 I HA 0.212 4.378 4.170 -0.008 0.000 0.286 63 I C -0.307 175.838 176.117 0.046 0.000 1.009 63 I CA -1.187 60.146 61.300 0.054 0.000 1.111 63 I CB 2.370 40.422 38.000 0.086 0.000 1.262 63 I HN 0.347 8.557 8.210 -0.000 0.000 0.443 64 V N 6.129 126.065 119.914 0.037 0.000 2.405 64 V HA 0.723 4.838 4.120 -0.008 0.000 0.264 64 V C 0.409 176.526 176.094 0.038 0.000 1.048 64 V CA 0.010 62.330 62.300 0.032 0.000 0.966 64 V CB 0.429 32.266 31.823 0.024 0.000 1.015 64 V HN 0.851 9.041 8.190 -0.000 0.000 0.477 65 A N 4.073 126.920 122.820 0.045 0.000 2.594 65 A HA 0.567 4.883 4.320 -0.008 0.000 0.296 65 A C -1.333 176.287 177.584 0.060 0.000 1.061 65 A CA -0.670 51.399 52.037 0.053 0.000 0.689 65 A CB 1.592 20.634 19.000 0.070 0.000 1.280 65 A HN 0.604 8.754 8.150 -0.000 0.000 0.406 66 D N 1.814 122.252 120.400 0.063 0.000 2.274 66 D HA 0.334 4.969 4.640 -0.008 0.000 0.239 66 D C 1.614 177.980 176.300 0.110 0.000 1.104 66 D CA 0.263 54.308 54.000 0.075 0.000 0.840 66 D CB 1.845 42.685 40.800 0.066 0.000 1.100 66 D HN 0.733 9.103 8.370 -0.000 0.000 0.477 67 V N 2.251 122.239 119.914 0.124 0.000 2.660 67 V HA -0.221 3.895 4.120 -0.008 0.000 0.257 67 V C 1.884 178.155 176.094 0.295 0.000 1.088 67 V CA 2.283 64.692 62.300 0.181 0.000 1.106 67 V CB -1.597 30.306 31.823 0.133 0.000 0.686 67 V HN 0.680 8.870 8.190 -0.000 0.000 0.481 68 T N -2.847 111.852 114.554 0.241 0.000 3.085 68 T HA -0.037 4.309 4.350 -0.008 0.000 0.263 68 T C 0.840 175.701 174.700 0.268 0.000 1.127 68 T CA 0.774 63.071 62.100 0.329 0.000 1.103 68 T CB -0.494 68.494 68.868 0.201 0.000 0.921 68 T HN 0.556 8.796 8.240 -0.000 0.000 0.510 69 D N 1.282 121.767 120.400 0.142 0.000 2.422 69 D HA 0.530 5.166 4.640 -0.008 0.000 0.227 69 D C 1.222 177.469 176.300 -0.090 0.000 1.190 69 D CA -0.111 53.893 54.000 0.006 0.000 0.905 69 D CB 0.993 41.802 40.800 0.016 0.000 1.034 69 D HN 0.232 8.602 8.370 -0.000 0.000 0.507 70 A N 3.950 126.531 122.820 -0.397 0.000 1.902 70 A HA -0.182 4.134 4.320 -0.008 0.000 0.217 70 A C 1.931 179.343 177.584 -0.287 0.000 1.181 70 A CA 1.440 53.108 52.037 -0.616 0.000 0.623 70 A CB -0.394 17.773 19.000 -1.388 0.000 0.818 70 A HN 0.677 8.827 8.150 -0.000 0.000 0.443 71 E N -0.120 119.936 120.200 -0.239 0.000 2.118 71 E HA -0.147 4.198 4.350 -0.008 0.000 0.195 71 E C 2.034 178.579 176.600 -0.091 0.000 0.992 71 E CA 1.097 57.409 56.400 -0.147 0.000 0.804 71 E CB -0.248 29.380 29.700 -0.121 0.000 0.741 71 E HN 0.557 8.917 8.360 -0.000 0.000 0.458 72 A N 0.540 123.324 122.820 -0.061 0.000 1.969 72 A HA -0.136 4.180 4.320 -0.008 0.000 0.218 72 A C 2.105 179.691 177.584 0.003 0.000 1.169 72 A CA 1.182 53.208 52.037 -0.018 0.000 0.635 72 A CB -0.273 18.733 19.000 0.011 0.000 0.810 72 A HN 0.259 8.409 8.150 -0.000 0.000 0.445 73 M N -0.298 119.314 119.600 0.021 0.000 2.132 73 M HA -0.081 4.394 4.480 -0.008 0.000 0.263 73 M C 2.164 178.420 176.300 -0.074 0.000 1.065 73 M CA 1.909 57.246 55.300 0.063 0.000 1.122 73 M CB -1.932 30.763 32.600 0.159 0.000 1.365 73 M HN 0.433 8.723 8.290 -0.000 0.000 0.411 74 T N 1.329 115.826 114.554 -0.096 0.000 2.684 74 T HA -0.100 4.245 4.350 -0.008 0.000 0.267 74 T C 1.918 176.522 174.700 -0.160 0.000 1.036 74 T CA 1.829 63.842 62.100 -0.146 0.000 1.148 74 T CB -0.402 68.395 68.868 -0.120 0.000 0.863 74 T HN 0.480 8.720 8.240 -0.000 0.000 0.436 75 A N 1.388 124.143 122.820 -0.109 0.000 1.933 75 A HA 0.193 4.508 4.320 -0.008 0.000 0.218 75 A C 2.651 180.179 177.584 -0.093 0.000 1.175 75 A CA 1.780 53.764 52.037 -0.088 0.000 0.628 75 A CB -1.085 17.884 19.000 -0.053 0.000 0.814 75 A HN 0.510 8.660 8.150 -0.000 0.000 0.444 76 A N -0.081 122.693 122.820 -0.077 0.000 1.902 76 A HA 0.143 4.458 4.320 -0.008 0.000 0.217 76 A C 2.491 179.966 177.584 -0.182 0.000 1.181 76 A CA 2.109 54.135 52.037 -0.018 0.000 0.623 76 A CB -0.967 18.117 19.000 0.139 0.000 0.818 76 A HN 1.041 9.191 8.150 -0.000 0.000 0.443 77 A N -0.290 122.173 122.820 -0.595 0.000 1.930 77 A HA 0.217 4.532 4.320 -0.008 0.000 0.217 77 A C 2.480 179.833 177.584 -0.384 0.000 1.175 77 A CA 1.914 53.360 52.037 -0.985 0.000 0.627 77 A CB -0.916 17.387 19.000 -1.161 0.000 0.815 77 A HN 1.013 9.163 8.150 -0.000 0.000 0.443 78 A N -0.278 122.392 122.820 -0.249 0.000 1.898 78 A HA -0.168 4.148 4.320 -0.008 0.000 0.216 78 A C 2.035 179.569 177.584 -0.082 0.000 1.181 78 A CA 1.748 53.703 52.037 -0.138 0.000 0.620 78 A CB -0.525 18.410 19.000 -0.109 0.000 0.819 78 A HN 0.670 8.820 8.150 -0.000 0.000 0.442 79 E N -0.049 120.113 120.200 -0.064 0.000 2.051 79 E HA -0.143 4.203 4.350 -0.008 0.000 0.192 79 E C 2.126 178.732 176.600 0.011 0.000 0.991 79 E CA 1.110 57.500 56.400 -0.016 0.000 0.799 79 E CB -0.260 29.442 29.700 0.003 0.000 0.748 79 E HN 0.522 8.882 8.360 -0.000 0.000 0.449 80 A N 1.251 124.094 122.820 0.038 0.000 1.898 80 A HA -0.173 4.143 4.320 -0.008 0.000 0.216 80 A C 2.012 179.633 177.584 0.061 0.000 1.181 80 A CA 1.384 53.482 52.037 0.102 0.000 0.620 80 A CB -0.418 18.754 19.000 0.286 0.000 0.819 80 A HN 0.231 8.381 8.150 -0.000 0.000 0.442 81 E N -0.056 120.153 120.200 0.015 0.000 2.150 81 E HA -0.105 4.241 4.350 -0.008 0.000 0.193 81 E C 2.203 178.800 176.600 -0.005 0.000 0.985 81 E CA 1.099 57.499 56.400 -0.001 0.000 0.814 81 E CB -0.438 29.238 29.700 -0.041 0.000 0.752 81 E HN 0.590 8.950 8.360 -0.000 0.000 0.466 82 A N 0.626 123.440 122.820 -0.009 0.000 2.066 82 A HA -0.056 4.259 4.320 -0.008 0.000 0.218 82 A C 2.434 180.019 177.584 0.002 0.000 1.157 82 A CA 0.866 52.899 52.037 -0.008 0.000 0.670 82 A CB -0.079 18.915 19.000 -0.011 0.000 0.804 82 A HN 0.116 8.266 8.150 -0.000 0.000 0.453 83 V N -1.680 118.242 119.914 0.013 0.000 2.575 83 V HA 0.447 4.562 4.120 -0.008 0.000 0.242 83 V C 0.963 177.069 176.094 0.020 0.000 1.045 83 V CA 1.323 63.634 62.300 0.018 0.000 1.065 83 V CB -0.128 31.712 31.823 0.029 0.000 0.717 83 V HN 0.722 8.912 8.190 -0.000 0.000 0.467 84 A N -0.142 122.694 122.820 0.026 0.000 2.594 84 A HA 0.663 4.978 4.320 -0.008 0.000 0.296 84 A C -3.155 174.446 177.584 0.029 0.000 1.056 84 A CA -1.035 51.017 52.037 0.024 0.000 0.693 84 A CB 0.998 20.015 19.000 0.028 0.000 1.278 84 A HN 0.021 8.171 8.150 -0.000 0.000 0.408 85 P HA 0.268 4.688 4.420 -0.000 0.000 0.267 85 P C -0.346 176.975 177.300 0.036 0.000 1.209 85 P CA 0.262 63.372 63.100 0.017 0.000 0.763 85 P CB 0.729 32.428 31.700 -0.000 0.000 0.816 86 V N 3.796 123.750 119.914 0.068 0.000 2.385 86 V HA 0.095 4.211 4.120 -0.008 0.000 0.269 86 V C 1.557 177.683 176.094 0.052 0.000 1.043 86 V CA 0.447 62.802 62.300 0.090 0.000 0.906 86 V CB 0.610 32.562 31.823 0.216 0.000 0.995 86 V HN 0.712 8.902 8.190 -0.000 0.000 0.467 87 S N 4.391 120.103 115.700 0.020 0.000 2.540 87 S HA 0.437 4.903 4.470 -0.008 0.000 0.222 87 S C 0.190 174.785 174.600 -0.008 0.000 1.008 87 S CA -0.118 58.079 58.200 -0.004 0.000 0.939 87 S CB 0.172 63.358 63.200 -0.023 0.000 0.865 87 S HN 0.485 8.795 8.310 -0.000 0.000 0.499 88 I N 1.717 122.288 120.570 0.003 0.000 2.619 88 I HA 0.541 4.707 4.170 -0.008 0.000 0.292 88 I C -1.614 174.510 176.117 0.011 0.000 1.100 88 I CA -1.036 60.271 61.300 0.012 0.000 1.043 88 I CB 2.356 40.360 38.000 0.006 0.000 1.239 88 I HN 0.117 8.327 8.210 -0.000 0.000 0.420 89 L N 7.563 128.796 121.223 0.016 0.000 2.385 89 L HA 0.706 5.042 4.340 -0.008 0.000 0.273 89 L C -1.370 175.503 176.870 0.006 0.000 0.990 89 L CA -0.450 54.360 54.840 -0.051 0.000 0.821 89 L CB 2.010 44.032 42.059 -0.062 0.000 1.279 89 L HN 0.315 8.545 8.230 -0.000 0.000 0.412 90 V N 4.373 124.266 119.914 -0.034 0.000 2.378 90 V HA 0.430 4.545 4.120 -0.008 0.000 0.288 90 V C -0.358 175.698 176.094 -0.064 0.000 1.016 90 V CA -0.563 61.719 62.300 -0.029 0.000 0.840 90 V CB 1.504 33.282 31.823 -0.075 0.000 0.994 90 V HN 0.801 8.991 8.190 -0.000 0.000 0.431 91 N N 2.560 121.239 118.700 -0.034 0.000 2.602 91 N HA 0.223 4.959 4.740 -0.008 0.000 0.238 91 N C 0.628 176.120 175.510 -0.031 0.000 1.084 91 N CA -0.125 52.908 53.050 -0.028 0.000 0.952 91 N CB 1.031 39.515 38.487 -0.006 0.000 1.244 91 N HN 0.600 8.980 8.380 -0.000 0.000 0.512 92 S N 1.029 116.704 115.700 -0.042 0.000 2.578 92 S HA 0.326 4.791 4.470 -0.008 0.000 0.231 92 S C 0.321 174.909 174.600 -0.020 0.000 0.994 92 S CA -0.540 57.638 58.200 -0.038 0.000 0.956 92 S CB 0.180 63.342 63.200 -0.062 0.000 0.870 92 S HN 0.582 8.892 8.310 -0.000 0.000 0.494 93 A N 0.791 123.604 122.820 -0.012 0.000 2.409 93 A HA 0.722 5.037 4.320 -0.008 0.000 0.262 93 A C 0.545 178.133 177.584 0.008 0.000 1.113 93 A CA 0.174 52.212 52.037 0.003 0.000 0.790 93 A CB 0.083 19.091 19.000 0.014 0.000 1.046 93 A HN 0.668 8.818 8.150 -0.000 0.000 0.496 94 G N 0.691 109.504 108.800 0.022 0.000 2.556 94 G HA2 0.555 4.511 3.960 -0.008 0.000 0.294 94 G HA3 0.555 4.511 3.960 -0.008 0.000 0.294 94 G C -1.016 173.925 174.900 0.068 0.000 1.516 94 G CA -0.098 45.024 45.100 0.037 0.000 0.824 94 G HN 1.522 9.812 8.290 -0.000 0.000 0.535 95 I N -1.533 119.096 120.570 0.099 0.000 2.934 95 I HA 0.959 5.124 4.170 -0.008 0.000 0.306 95 I C -0.168 176.053 176.117 0.174 0.000 1.110 95 I CA -1.574 59.785 61.300 0.099 0.000 1.019 95 I CB 2.526 40.561 38.000 0.059 0.000 1.227 95 I HN 0.934 9.144 8.210 -0.000 0.000 0.434 96 A N 3.842 126.693 122.820 0.053 0.000 2.356 96 A HA 0.870 5.186 4.320 -0.008 0.000 0.310 96 A C -0.805 176.779 177.584 0.000 0.000 1.075 96 A CA -0.767 51.230 52.037 -0.066 0.000 0.746 96 A CB 1.303 20.035 19.000 -0.447 0.000 1.221 96 A HN 0.653 8.803 8.150 -0.000 0.000 0.443 97 R N 2.362 122.907 120.500 0.075 0.000 2.480 97 R HA 0.432 4.768 4.340 -0.008 0.000 0.306 97 R C -1.134 175.300 176.300 0.223 0.000 0.958 97 R CA -0.604 55.570 56.100 0.124 0.000 0.861 97 R CB 1.420 31.790 30.300 0.116 0.000 1.171 97 R HN 0.723 8.993 8.270 -0.000 0.000 0.445 98 L N 5.365 126.689 121.223 0.169 0.000 2.367 98 L HA 0.317 4.653 4.340 -0.008 0.000 0.275 98 L C 0.396 177.429 176.870 0.273 0.000 1.129 98 L CA -0.034 54.908 54.840 0.171 0.000 0.839 98 L CB 0.266 42.391 42.059 0.109 0.000 1.133 98 L HN 0.607 8.837 8.230 -0.000 0.000 0.453 99 H N 0.557 119.720 119.070 0.154 0.000 3.123 99 H HA 0.328 4.879 4.556 -0.009 0.000 0.346 99 H C -1.783 173.662 175.328 0.196 0.000 1.138 99 H CA -1.033 55.110 56.048 0.158 0.000 1.273 99 H CB 1.198 31.048 29.762 0.146 0.000 1.926 99 H HN 0.384 8.664 8.280 -0.000 0.000 0.524 100 D N 1.910 122.415 120.400 0.175 0.000 2.304 100 D HA 0.299 4.935 4.640 -0.008 0.000 0.250 100 D C 1.394 177.745 176.300 0.086 0.000 1.107 100 D CA 0.277 54.327 54.000 0.083 0.000 0.885 100 D CB 1.802 42.651 40.800 0.082 0.000 1.192 100 D HN 0.705 9.075 8.370 -0.000 0.000 0.436 101 A N 2.865 125.680 122.820 -0.008 0.000 1.903 101 A HA -0.203 4.112 4.320 -0.008 0.000 0.219 101 A C 2.078 179.689 177.584 0.045 0.000 1.191 101 A CA 1.316 53.384 52.037 0.051 0.000 0.638 101 A CB -0.660 18.316 19.000 -0.039 0.000 0.823 101 A HN 0.659 8.809 8.150 -0.000 0.000 0.451 102 L N -0.905 120.317 121.223 -0.002 0.000 2.291 102 L HA -0.055 4.281 4.340 -0.008 0.000 0.214 102 L C 1.170 178.055 176.870 0.024 0.000 1.120 102 L CA 0.698 55.535 54.840 -0.004 0.000 0.799 102 L CB -0.224 41.821 42.059 -0.023 0.000 0.925 102 L HN 0.285 8.515 8.230 -0.000 0.000 0.446 103 E N -0.458 119.776 120.200 0.057 0.000 2.496 103 E HA 0.146 4.492 4.350 -0.008 0.000 0.202 103 E C -0.033 176.630 176.600 0.104 0.000 1.021 103 E CA 0.031 56.473 56.400 0.070 0.000 1.015 103 E CB 0.347 30.092 29.700 0.075 0.000 1.102 103 E HN 0.094 8.454 8.360 -0.000 0.000 0.452 104 T N 2.948 117.575 114.554 0.121 0.000 2.749 104 T HA 0.137 4.482 4.350 -0.008 0.000 0.295 104 T C -0.153 174.579 174.700 0.054 0.000 0.936 104 T CA -0.691 61.487 62.100 0.131 0.000 1.060 104 T CB 0.590 69.580 68.868 0.203 0.000 0.904 104 T HN 0.099 8.339 8.240 -0.000 0.000 0.500 105 D N 2.344 122.766 120.400 0.036 0.000 2.302 105 D HA 0.172 4.808 4.640 -0.008 0.000 0.248 105 D C 0.604 176.924 176.300 0.033 0.000 1.094 105 D CA -0.783 53.233 54.000 0.027 0.000 0.897 105 D CB 0.719 41.536 40.800 0.028 0.000 1.200 105 D HN 0.213 8.583 8.370 -0.000 0.000 0.429 106 D N 1.598 122.018 120.400 0.032 0.000 2.172 106 D HA -0.226 4.410 4.640 -0.008 0.000 0.196 106 D C 1.891 178.249 176.300 0.097 0.000 0.999 106 D CA 2.072 56.104 54.000 0.053 0.000 0.856 106 D CB -0.360 40.458 40.800 0.030 0.000 0.934 106 D HN 0.615 8.985 8.370 -0.000 0.000 0.453 107 A N 0.095 122.953 122.820 0.064 0.000 1.968 107 A HA -0.110 4.205 4.320 -0.008 0.000 0.217 107 A C 2.340 179.955 177.584 0.051 0.000 1.169 107 A CA 1.753 53.826 52.037 0.061 0.000 0.638 107 A CB -0.698 18.327 19.000 0.042 0.000 0.812 107 A HN 0.210 8.360 8.150 -0.000 0.000 0.446 108 T N -0.984 113.585 114.554 0.024 0.000 2.652 108 T HA -0.201 4.145 4.350 -0.008 0.000 0.267 108 T C 1.647 176.327 174.700 -0.034 0.000 1.039 108 T CA 1.285 63.364 62.100 -0.035 0.000 1.153 108 T CB -0.382 68.405 68.868 -0.135 0.000 0.863 108 T HN 0.721 8.961 8.240 -0.000 0.000 0.428 109 W N 2.312 123.512 121.300 -0.167 0.000 2.335 109 W HA -0.153 4.503 4.660 -0.007 0.000 0.311 109 W C 2.326 178.823 176.519 -0.036 0.000 1.213 109 W CA 1.209 58.492 57.345 -0.104 0.000 1.274 109 W CB -0.449 28.971 29.460 -0.067 0.000 1.148 109 W HN 0.110 8.290 8.180 -0.000 0.000 0.498 110 R N 0.452 121.069 120.500 0.194 0.000 2.083 110 R HA -0.228 4.107 4.340 -0.008 0.000 0.237 110 R C 2.589 178.887 176.300 -0.003 0.000 1.137 110 R CA 2.468 58.637 56.100 0.115 0.000 0.951 110 R CB -1.176 29.206 30.300 0.137 0.000 0.851 110 R HN 0.346 8.616 8.270 -0.000 0.000 0.434 111 Q N -0.286 119.511 119.800 -0.004 0.000 2.123 111 Q HA -0.094 4.241 4.340 -0.008 0.000 0.199 111 Q C 1.803 177.774 176.000 -0.048 0.000 0.966 111 Q CA 1.523 57.322 55.803 -0.007 0.000 0.845 111 Q CB 0.175 28.919 28.738 0.011 0.000 0.907 111 Q HN 0.227 8.497 8.270 -0.000 0.000 0.439 112 V N 0.996 120.851 119.914 -0.100 0.000 2.295 112 V HA -0.291 3.824 4.120 -0.008 0.000 0.246 112 V C 2.490 178.465 176.094 -0.200 0.000 1.049 112 V CA 1.570 63.795 62.300 -0.125 0.000 1.024 112 V CB -0.489 31.256 31.823 -0.129 0.000 0.648 112 V HN 0.464 8.654 8.190 -0.000 0.000 0.447 113 M N -0.184 119.229 119.600 -0.312 0.000 2.117 113 M HA -0.106 4.369 4.480 -0.008 0.000 0.262 113 M C 2.417 178.620 176.300 -0.161 0.000 1.065 113 M CA 2.162 57.285 55.300 -0.296 0.000 1.114 113 M CB -1.566 30.826 32.600 -0.346 0.000 1.361 113 M HN 0.410 8.700 8.290 -0.000 0.000 0.408 114 A N -0.068 122.700 122.820 -0.087 0.000 1.877 114 A HA -0.092 4.223 4.320 -0.008 0.000 0.216 114 A C 2.450 180.022 177.584 -0.021 0.000 1.186 114 A CA 2.038 54.067 52.037 -0.013 0.000 0.620 114 A CB -0.960 18.075 19.000 0.057 0.000 0.822 114 A HN 0.299 8.449 8.150 -0.000 0.000 0.443 115 V N 0.678 120.579 119.914 -0.022 0.000 2.283 115 V HA -0.198 3.917 4.120 -0.008 0.000 0.243 115 V C 2.202 178.268 176.094 -0.047 0.000 1.039 115 V CA 2.105 64.401 62.300 -0.007 0.000 1.016 115 V CB -1.019 30.809 31.823 0.009 0.000 0.650 115 V HN 0.531 8.721 8.190 -0.000 0.000 0.449 116 N N -0.179 118.470 118.700 -0.085 0.000 2.270 116 N HA -0.067 4.668 4.740 -0.008 0.000 0.181 116 N C 1.450 176.875 175.510 -0.141 0.000 1.016 116 N CA 1.213 54.193 53.050 -0.116 0.000 0.870 116 N CB -0.022 38.363 38.487 -0.170 0.000 0.979 116 N HN 0.391 8.771 8.380 -0.000 0.000 0.431 117 V N 0.267 120.081 119.914 -0.167 0.000 2.870 117 V HA 0.041 4.156 4.120 -0.008 0.000 0.232 117 V C 1.340 177.287 176.094 -0.245 0.000 1.161 117 V CA 0.682 62.869 62.300 -0.187 0.000 1.204 117 V CB -0.306 31.396 31.823 -0.202 0.000 1.003 117 V HN -0.015 8.175 8.190 -0.000 0.000 0.499 118 D N 1.553 121.765 120.400 -0.313 0.000 2.104 118 D HA -0.129 4.506 4.640 -0.008 0.000 0.194 118 D C 2.132 177.916 176.300 -0.859 0.000 0.994 118 D CA 1.899 55.520 54.000 -0.632 0.000 0.830 118 D CB -0.703 39.861 40.800 -0.394 0.000 0.959 118 D HN 0.432 8.802 8.370 -0.000 0.000 0.452 119 G N 0.722 109.309 108.800 -0.355 0.000 2.418 119 G HA2 -0.288 3.668 3.960 -0.008 0.000 0.217 119 G HA3 -0.288 3.668 3.960 -0.008 0.000 0.217 119 G C 1.596 176.463 174.900 -0.055 0.000 1.158 119 G CA 0.875 45.922 45.100 -0.089 0.000 0.771 119 G HN 0.225 8.515 8.290 -0.000 0.000 0.545 120 M N -0.740 118.811 119.600 -0.083 0.000 2.108 120 M HA -0.008 4.468 4.480 -0.008 0.000 0.261 120 M C 2.233 178.533 176.300 -0.001 0.000 1.066 120 M CA 1.550 56.834 55.300 -0.027 0.000 1.107 120 M CB -0.188 32.389 32.600 -0.037 0.000 1.356 120 M HN 0.226 8.516 8.290 -0.000 0.000 0.406 121 F N -0.084 119.719 119.950 -0.246 0.000 2.113 121 F HA -0.159 4.363 4.527 -0.008 0.000 0.297 121 F C 1.448 177.259 175.800 0.017 0.000 1.103 121 F CA 1.705 59.581 58.000 -0.208 0.000 1.248 121 F CB -0.796 37.965 39.000 -0.399 0.000 0.999 121 F HN 0.252 8.552 8.300 -0.000 0.000 0.475 122 W N 0.227 121.515 121.300 -0.021 0.000 2.318 122 W HA -0.209 4.446 4.660 -0.009 0.000 0.313 122 W C 2.618 179.091 176.519 -0.077 0.000 1.221 122 W CA 0.753 58.042 57.345 -0.094 0.000 1.266 122 W CB -0.969 28.505 29.460 0.023 0.000 1.150 122 W HN 0.086 8.266 8.180 -0.000 0.000 0.496 123 A N 0.130 123.091 122.820 0.235 0.000 1.930 123 A HA -0.171 4.145 4.320 -0.008 0.000 0.217 123 A C 1.979 179.722 177.584 0.265 0.000 1.175 123 A CA 2.020 54.225 52.037 0.279 0.000 0.627 123 A CB -0.999 18.138 19.000 0.229 0.000 0.815 123 A HN 0.202 8.352 8.150 -0.000 0.000 0.443 124 S N -0.867 114.910 115.700 0.128 0.000 2.368 124 S HA -0.134 4.332 4.470 -0.008 0.000 0.224 124 S C 2.090 176.809 174.600 0.200 0.000 1.029 124 S CA 1.249 59.555 58.200 0.177 0.000 0.988 124 S CB -0.314 62.973 63.200 0.145 0.000 0.838 124 S HN 0.664 8.974 8.310 -0.000 0.000 0.462 125 R N 1.219 121.678 120.500 -0.068 0.000 2.081 125 R HA -0.072 4.264 4.340 -0.008 0.000 0.235 125 R C 2.350 178.650 176.300 0.000 0.000 1.131 125 R CA 1.349 57.414 56.100 -0.059 0.000 0.960 125 R CB -0.458 29.611 30.300 -0.384 0.000 0.856 125 R HN 0.380 8.650 8.270 -0.000 0.000 0.436 126 A N 0.213 123.027 122.820 -0.011 0.000 1.855 126 A HA -0.116 4.199 4.320 -0.008 0.000 0.215 126 A C 1.921 179.384 177.584 -0.202 0.000 1.191 126 A CA 1.196 53.161 52.037 -0.120 0.000 0.613 126 A CB -0.680 18.226 19.000 -0.156 0.000 0.829 126 A HN 0.381 8.531 8.150 -0.000 0.000 0.442 127 F N 0.136 120.077 119.950 -0.015 0.000 2.416 127 F HA 0.120 4.643 4.527 -0.007 0.000 0.296 127 F C 2.554 178.305 175.800 -0.081 0.000 1.099 127 F CA 0.720 58.702 58.000 -0.030 0.000 1.427 127 F CB -0.452 38.548 39.000 -0.000 0.000 1.079 127 F HN 0.291 8.591 8.300 -0.000 0.000 0.536 128 G N -0.222 108.614 108.800 0.059 0.000 2.443 128 G HA2 -0.236 3.719 3.960 -0.008 0.000 0.219 128 G HA3 -0.236 3.719 3.960 -0.008 0.000 0.219 128 G C 1.767 176.416 174.900 -0.417 0.000 1.131 128 G CA 0.516 45.469 45.100 -0.245 0.000 0.775 128 G HN 0.231 8.521 8.290 -0.000 0.000 0.547 129 R N 0.535 120.891 120.500 -0.240 0.000 2.080 129 R HA -0.063 4.273 4.340 -0.008 0.000 0.236 129 R C 2.745 178.918 176.300 -0.211 0.000 1.137 129 R CA 1.751 57.718 56.100 -0.221 0.000 0.943 129 R CB -0.390 29.832 30.300 -0.130 0.000 0.846 129 R HN 0.272 8.542 8.270 -0.000 0.000 0.431 130 A N 0.368 123.093 122.820 -0.157 0.000 2.014 130 A HA -0.071 4.245 4.320 -0.008 0.000 0.218 130 A C 2.165 179.671 177.584 -0.131 0.000 1.163 130 A CA 1.114 53.078 52.037 -0.120 0.000 0.652 130 A CB -0.298 18.654 19.000 -0.080 0.000 0.808 130 A HN 0.364 8.514 8.150 -0.000 0.000 0.449 131 M N -0.773 118.732 119.600 -0.159 0.000 2.117 131 M HA -0.130 4.346 4.480 -0.008 0.000 0.262 131 M C 2.055 178.221 176.300 -0.223 0.000 1.065 131 M CA 1.385 56.588 55.300 -0.162 0.000 1.114 131 M CB -0.409 32.092 32.600 -0.165 0.000 1.361 131 M HN 0.237 8.527 8.290 -0.000 0.000 0.408 132 V N 0.328 120.023 119.914 -0.365 0.000 2.427 132 V HA -0.237 3.879 4.120 -0.008 0.000 0.248 132 V C 2.622 178.593 176.094 -0.206 0.000 1.051 132 V CA 1.912 63.985 62.300 -0.378 0.000 1.048 132 V CB -1.187 30.257 31.823 -0.631 0.000 0.666 132 V HN 0.516 8.706 8.190 -0.000 0.000 0.456 133 A N -0.080 122.637 122.820 -0.172 0.000 1.908 133 A HA -0.236 4.080 4.320 -0.008 0.000 0.218 133 A C 2.372 179.906 177.584 -0.083 0.000 1.181 133 A CA 1.829 53.802 52.037 -0.106 0.000 0.627 133 A CB -0.490 18.455 19.000 -0.092 0.000 0.818 133 A HN 0.494 8.644 8.150 -0.000 0.000 0.445 134 R N -1.736 118.712 120.500 -0.087 0.000 2.189 134 R HA 0.094 4.430 4.340 -0.008 0.000 0.218 134 R C 1.295 177.559 176.300 -0.059 0.000 1.074 134 R CA 0.627 56.688 56.100 -0.065 0.000 0.991 134 R CB -0.208 30.057 30.300 -0.059 0.000 0.883 134 R HN 0.768 9.038 8.270 -0.000 0.000 0.457 135 G N 0.146 108.902 108.800 -0.074 0.000 2.137 135 G HA2 -0.231 3.724 3.960 -0.008 0.000 0.237 135 G HA3 -0.231 3.724 3.960 -0.008 0.000 0.237 135 G C -0.216 174.656 174.900 -0.047 0.000 1.002 135 G CA 0.104 45.170 45.100 -0.056 0.000 0.702 135 G HN 0.598 8.888 8.290 -0.000 0.000 0.515 136 A N -1.448 121.336 122.820 -0.060 0.000 2.532 136 A HA 1.056 5.371 4.320 -0.008 0.000 0.296 136 A C 0.148 177.701 177.584 -0.051 0.000 1.058 136 A CA 0.495 52.505 52.037 -0.045 0.000 0.729 136 A CB 1.227 20.204 19.000 -0.040 0.000 1.285 136 A HN 2.272 10.422 8.150 -0.000 0.000 0.396 137 G N -0.616 108.162 108.800 -0.035 0.000 2.368 137 G HA2 0.848 4.803 3.960 -0.008 0.000 0.293 137 G HA3 0.848 4.803 3.960 -0.008 0.000 0.293 137 G C -1.074 173.822 174.900 -0.007 0.000 1.467 137 G CA 0.364 45.448 45.100 -0.027 0.000 0.804 137 G HN 2.240 10.530 8.290 -0.000 0.000 0.535 138 A N -0.008 122.812 122.820 -0.000 0.000 2.427 138 A HA 0.827 5.142 4.320 -0.008 0.000 0.298 138 A C -0.978 176.628 177.584 0.036 0.000 1.036 138 A CA -0.493 51.547 52.037 0.006 0.000 0.701 138 A CB 1.087 20.064 19.000 -0.039 0.000 1.250 138 A HN 0.867 9.017 8.150 -0.000 0.000 0.412 139 I N 2.019 122.624 120.570 0.059 0.000 2.509 139 I HA 0.556 4.722 4.170 -0.008 0.000 0.293 139 I C -0.940 175.209 176.117 0.053 0.000 1.020 139 I CA -1.081 60.264 61.300 0.075 0.000 1.088 139 I CB 2.273 40.349 38.000 0.126 0.000 1.267 139 I HN 0.322 8.532 8.210 -0.000 0.000 0.430 140 V N 5.252 125.200 119.914 0.057 0.000 2.443 140 V HA 0.407 4.523 4.120 -0.008 0.000 0.293 140 V C -0.555 175.555 176.094 0.026 0.000 1.021 140 V CA -0.776 61.551 62.300 0.045 0.000 0.848 140 V CB 1.737 33.611 31.823 0.085 0.000 0.998 140 V HN 0.635 8.825 8.190 -0.000 0.000 0.424 141 N N 4.038 122.744 118.700 0.010 0.000 2.443 141 N HA 0.470 5.206 4.740 -0.008 0.000 0.295 141 N C -0.866 174.640 175.510 -0.006 0.000 1.076 141 N CA -0.631 52.420 53.050 0.001 0.000 0.919 141 N CB 2.301 40.789 38.487 0.001 0.000 1.176 141 N HN 0.390 8.770 8.380 -0.000 0.000 0.487 142 L N 2.459 123.677 121.223 -0.009 0.000 2.334 142 L HA 0.311 4.646 4.340 -0.008 0.000 0.286 142 L C 1.429 178.299 176.870 0.001 0.000 1.108 142 L CA 0.170 55.005 54.840 -0.008 0.000 0.875 142 L CB -0.304 41.747 42.059 -0.014 0.000 1.246 142 L HN 0.610 8.840 8.230 -0.000 0.000 0.439 143 G N 2.521 111.345 108.800 0.040 0.000 2.679 143 G HA2 0.362 4.317 3.960 -0.008 0.000 0.202 143 G HA3 0.362 4.317 3.960 -0.008 0.000 0.202 143 G C -0.354 174.598 174.900 0.086 0.000 1.566 143 G CA -0.045 45.149 45.100 0.157 0.000 1.074 143 G HN 0.521 8.811 8.290 -0.000 0.000 0.564 144 S N -2.437 113.378 115.700 0.192 0.000 2.614 144 S HA 0.167 4.632 4.470 -0.008 0.000 0.280 144 S C 0.954 175.560 174.600 0.011 0.000 1.111 144 S CA 0.327 58.531 58.200 0.007 0.000 0.847 144 S CB 0.678 63.822 63.200 -0.093 0.000 1.079 144 S HN 0.985 9.295 8.310 -0.000 0.000 0.452 145 M N 1.931 121.478 119.600 -0.087 0.000 2.260 145 M HA -0.017 4.459 4.480 -0.008 0.000 0.261 145 M C 1.308 177.534 176.300 -0.123 0.000 1.066 145 M CA 2.380 57.614 55.300 -0.109 0.000 1.082 145 M CB -0.868 31.579 32.600 -0.254 0.000 1.388 145 M HN 0.374 8.664 8.290 -0.000 0.000 0.419 146 S N 0.829 116.435 115.700 -0.156 0.000 2.547 146 S HA 0.060 4.525 4.470 -0.008 0.000 0.235 146 S C 1.766 176.230 174.600 -0.227 0.000 0.980 146 S CA 0.888 59.008 58.200 -0.132 0.000 0.941 146 S CB -0.461 62.743 63.200 0.005 0.000 0.763 146 S HN 0.812 9.122 8.310 -0.000 0.000 0.532 147 G N 0.430 109.014 108.800 -0.360 0.000 2.985 147 G HA2 0.069 4.024 3.960 -0.008 0.000 0.209 147 G HA3 0.069 4.024 3.960 -0.008 0.000 0.209 147 G C 1.002 175.718 174.900 -0.306 0.000 1.165 147 G CA 0.490 45.212 45.100 -0.629 0.000 0.776 147 G HN 0.472 8.762 8.290 -0.000 0.000 0.541 148 T N 0.116 114.613 114.554 -0.095 0.000 3.125 148 T HA 0.287 4.633 4.350 -0.008 0.000 0.252 148 T C 0.539 175.252 174.700 0.021 0.000 0.981 148 T CA 0.686 62.797 62.100 0.018 0.000 1.069 148 T CB 0.265 69.181 68.868 0.081 0.000 1.091 148 T HN 0.281 8.521 8.240 -0.000 0.000 0.460 149 I N -0.962 119.619 120.570 0.019 0.000 3.436 149 I HA 0.796 4.962 4.170 -0.008 0.000 0.300 149 I C -1.135 175.004 176.117 0.037 0.000 1.131 149 I CA -1.652 59.681 61.300 0.056 0.000 1.001 149 I CB 0.985 39.062 38.000 0.128 0.000 1.305 149 I HN -0.246 7.964 8.210 -0.000 0.000 0.494 150 V N 2.601 122.563 119.914 0.081 0.000 2.448 150 V HA 0.425 4.541 4.120 -0.008 0.000 0.295 150 V C -0.017 176.140 176.094 0.105 0.000 1.025 150 V CA -0.738 61.614 62.300 0.086 0.000 0.859 150 V CB 0.948 32.838 31.823 0.113 0.000 0.988 150 V HN 0.746 8.936 8.190 -0.000 0.000 0.431 151 N N 4.533 123.267 118.700 0.056 0.000 2.381 151 N HA 0.328 5.063 4.740 -0.008 0.000 0.241 151 N C -0.130 175.453 175.510 0.121 0.000 1.279 151 N CA 0.006 53.087 53.050 0.052 0.000 0.896 151 N CB 0.823 39.296 38.487 -0.023 0.000 1.118 151 N HN 0.752 9.132 8.380 -0.000 0.000 0.438 152 R N -0.020 120.596 120.500 0.194 0.000 2.707 152 R HA 0.386 4.722 4.340 -0.008 0.000 0.272 152 R C -2.670 173.791 176.300 0.268 0.000 1.011 152 R CA -1.356 54.828 56.100 0.141 0.000 0.893 152 R CB 1.739 32.123 30.300 0.140 0.000 1.233 152 R HN 0.206 8.476 8.270 -0.000 0.000 0.464 153 P HA -0.079 4.341 4.420 -0.000 0.000 0.245 153 P C -0.431 176.604 177.300 -0.443 0.000 1.203 153 P CA 0.542 63.567 63.100 -0.125 0.000 0.792 153 P CB 0.355 32.000 31.700 -0.092 0.000 0.997 154 Q N 0.923 120.593 119.800 -0.217 0.000 2.392 154 Q HA 0.092 4.427 4.340 -0.008 0.000 0.262 154 Q C -1.078 174.662 176.000 -0.432 0.000 1.003 154 Q CA 0.274 55.909 55.803 -0.280 0.000 0.888 154 Q CB 0.210 28.969 28.738 0.035 0.000 1.260 154 Q HN 0.024 8.294 8.270 -0.000 0.000 0.435 155 F N 0.073 120.046 119.950 0.038 0.000 2.450 155 F HA 0.646 5.169 4.527 -0.007 0.000 0.332 155 F C 0.232 175.956 175.800 -0.126 0.000 1.093 155 F CA -0.766 57.217 58.000 -0.029 0.000 1.003 155 F CB 2.115 41.087 39.000 -0.046 0.000 1.151 155 F HN 0.734 9.034 8.300 -0.000 0.000 0.474 156 A N 0.784 123.621 122.820 0.028 0.000 3.208 156 A HA 0.362 4.677 4.320 -0.008 0.000 0.252 156 A C 0.699 178.293 177.584 0.018 0.000 1.225 156 A CA -0.018 51.938 52.037 -0.135 0.000 0.980 156 A CB -0.619 18.403 19.000 0.036 0.000 1.414 156 A HN 0.707 8.857 8.150 -0.000 0.000 0.721 157 S N 0.287 115.967 115.700 -0.034 0.000 2.399 157 S HA -0.204 4.261 4.470 -0.008 0.000 0.231 157 S C 2.104 176.881 174.600 0.296 0.000 1.022 157 S CA 1.934 60.263 58.200 0.215 0.000 0.983 157 S CB -0.670 62.700 63.200 0.284 0.000 0.803 157 S HN 1.674 9.984 8.310 -0.000 0.000 0.480 158 S N 0.655 116.589 115.700 0.390 0.000 2.382 158 S HA -0.182 4.284 4.470 -0.008 0.000 0.228 158 S C 1.728 176.236 174.600 -0.153 0.000 1.027 158 S CA 0.995 59.087 58.200 -0.180 0.000 0.991 158 S CB -1.043 62.050 63.200 -0.178 0.000 0.823 158 S HN 0.601 8.911 8.310 -0.000 0.000 0.469 159 Y N 2.319 122.586 120.300 -0.054 0.000 2.163 159 Y HA -0.034 4.514 4.550 -0.004 0.000 0.288 159 Y C 2.462 178.293 175.900 -0.116 0.000 1.136 159 Y CA 1.621 59.667 58.100 -0.089 0.000 1.147 159 Y CB -0.356 38.081 38.460 -0.040 0.000 0.987 159 Y HN 0.120 8.400 8.280 -0.000 0.000 0.509 160 M N 0.151 119.772 119.600 0.035 0.000 2.065 160 M HA -0.219 4.256 4.480 -0.008 0.000 0.259 160 M C 2.489 178.704 176.300 -0.143 0.000 1.069 160 M CA 1.893 57.159 55.300 -0.056 0.000 1.110 160 M CB -2.080 30.544 32.600 0.040 0.000 1.328 160 M HN 0.401 8.691 8.290 -0.000 0.000 0.405 161 A N 0.861 123.625 122.820 -0.094 0.000 1.908 161 A HA -0.166 4.150 4.320 -0.008 0.000 0.218 161 A C 2.504 179.957 177.584 -0.217 0.000 1.181 161 A CA 2.776 54.752 52.037 -0.103 0.000 0.627 161 A CB -1.058 17.939 19.000 -0.005 0.000 0.818 161 A HN 0.655 8.805 8.150 -0.000 0.000 0.445 162 S N -0.346 115.162 115.700 -0.320 0.000 2.382 162 S HA -0.178 4.288 4.470 -0.008 0.000 0.228 162 S C 1.827 176.216 174.600 -0.352 0.000 1.027 162 S CA 1.506 59.499 58.200 -0.344 0.000 0.991 162 S CB -0.255 62.719 63.200 -0.376 0.000 0.823 162 S HN 0.470 8.780 8.310 -0.000 0.000 0.469 163 K N 1.181 121.312 120.400 -0.448 0.000 2.228 163 K HA 0.173 4.489 4.320 -0.008 0.000 0.202 163 K C 2.397 178.678 176.600 -0.532 0.000 1.051 163 K CA 0.967 56.953 56.287 -0.501 0.000 0.960 163 K CB -1.229 30.905 32.500 -0.611 0.000 0.743 163 K HN 0.524 8.774 8.250 -0.000 0.000 0.458 164 G N 1.678 110.247 108.800 -0.386 0.000 2.446 164 G HA2 -0.283 3.673 3.960 -0.008 0.000 0.217 164 G HA3 -0.283 3.673 3.960 -0.008 0.000 0.217 164 G C 1.711 176.502 174.900 -0.181 0.000 1.168 164 G CA 1.326 46.263 45.100 -0.273 0.000 0.771 164 G HN 0.361 8.651 8.290 -0.000 0.000 0.551 165 A N 0.014 122.731 122.820 -0.172 0.000 1.902 165 A HA 0.074 4.389 4.320 -0.008 0.000 0.217 165 A C 2.623 180.141 177.584 -0.109 0.000 1.181 165 A CA 1.836 53.793 52.037 -0.133 0.000 0.623 165 A CB -0.677 18.233 19.000 -0.149 0.000 0.818 165 A HN 0.270 8.420 8.150 -0.000 0.000 0.443 166 V N -0.111 119.728 119.914 -0.124 0.000 2.287 166 V HA -0.338 3.777 4.120 -0.008 0.000 0.248 166 V C 2.325 178.462 176.094 0.071 0.000 1.053 166 V CA 2.368 64.642 62.300 -0.043 0.000 1.027 166 V CB -1.181 30.614 31.823 -0.046 0.000 0.646 166 V HN 0.730 8.920 8.190 -0.000 0.000 0.447 167 H N -1.067 117.942 119.070 -0.101 0.000 2.353 167 H HA -0.163 4.389 4.556 -0.008 0.000 0.300 167 H C 2.516 177.799 175.328 -0.075 0.000 1.090 167 H CA 1.353 57.353 56.048 -0.080 0.000 1.327 167 H CB 0.168 29.886 29.762 -0.074 0.000 1.383 167 H HN 0.376 8.656 8.280 -0.000 0.000 0.508 168 Q N 0.538 120.365 119.800 0.045 0.000 2.137 168 Q HA -0.081 4.255 4.340 -0.008 0.000 0.198 168 Q C 2.505 178.473 176.000 -0.053 0.000 0.960 168 Q CA 0.421 56.214 55.803 -0.017 0.000 0.847 168 Q CB -0.285 28.430 28.738 -0.037 0.000 0.915 168 Q HN 0.328 8.598 8.270 -0.000 0.000 0.448 169 L N 0.890 122.077 121.223 -0.060 0.000 2.012 169 L HA -0.164 4.171 4.340 -0.008 0.000 0.210 169 L C 2.026 178.855 176.870 -0.070 0.000 1.073 169 L CA 2.008 56.801 54.840 -0.078 0.000 0.748 169 L CB -1.076 40.943 42.059 -0.067 0.000 0.891 169 L HN 0.112 8.342 8.230 -0.000 0.000 0.431 170 T N -0.157 114.371 114.554 -0.043 0.000 2.635 170 T HA -0.265 4.080 4.350 -0.008 0.000 0.267 170 T C 1.985 176.643 174.700 -0.069 0.000 1.040 170 T CA 2.182 64.254 62.100 -0.046 0.000 1.156 170 T CB -0.271 68.572 68.868 -0.042 0.000 0.863 170 T HN 0.383 8.623 8.240 -0.000 0.000 0.430 171 R N 0.869 121.329 120.500 -0.066 0.000 2.075 171 R HA 0.087 4.423 4.340 -0.008 0.000 0.232 171 R C 2.862 179.106 176.300 -0.094 0.000 1.126 171 R CA 1.168 57.225 56.100 -0.071 0.000 0.963 171 R CB -0.527 29.740 30.300 -0.055 0.000 0.858 171 R HN 0.377 8.647 8.270 -0.000 0.000 0.435 172 A N 1.300 124.054 122.820 -0.110 0.000 1.883 172 A HA -0.155 4.160 4.320 -0.008 0.000 0.217 172 A C 2.165 179.614 177.584 -0.224 0.000 1.186 172 A CA 1.325 53.275 52.037 -0.145 0.000 0.624 172 A CB -0.607 18.304 19.000 -0.149 0.000 0.822 172 A HN 0.188 8.338 8.150 -0.000 0.000 0.444 173 L N -0.996 120.058 121.223 -0.281 0.000 2.109 173 L HA -0.130 4.205 4.340 -0.008 0.000 0.207 173 L C 3.095 179.782 176.870 -0.304 0.000 1.086 173 L CA 0.807 55.331 54.840 -0.527 0.000 0.760 173 L CB -0.609 41.102 42.059 -0.579 0.000 0.910 173 L HN 0.447 8.677 8.230 -0.000 0.000 0.437 174 A N 0.437 123.176 122.820 -0.134 0.000 1.917 174 A HA -0.246 4.070 4.320 -0.008 0.000 0.219 174 A C 2.541 180.101 177.584 -0.039 0.000 1.182 174 A CA 2.046 54.057 52.037 -0.044 0.000 0.633 174 A CB -0.710 18.262 19.000 -0.046 0.000 0.819 174 A HN 0.411 8.561 8.150 -0.000 0.000 0.448 175 A N -0.711 122.064 122.820 -0.077 0.000 1.898 175 A HA -0.152 4.163 4.320 -0.008 0.000 0.216 175 A C 2.046 179.607 177.584 -0.038 0.000 1.181 175 A CA 1.776 53.781 52.037 -0.053 0.000 0.620 175 A CB -0.505 18.457 19.000 -0.063 0.000 0.819 175 A HN 0.665 8.815 8.150 -0.000 0.000 0.442 176 E N -1.799 118.332 120.200 -0.115 0.000 2.152 176 E HA -0.162 4.183 4.350 -0.008 0.000 0.192 176 E C 0.984 177.654 176.600 0.116 0.000 0.983 176 E CA 0.984 57.327 56.400 -0.096 0.000 0.818 176 E CB -0.049 29.473 29.700 -0.296 0.000 0.758 176 E HN 0.780 9.140 8.360 -0.000 0.000 0.467 177 W N -0.646 120.663 121.300 0.015 0.000 3.127 177 W HA 0.450 5.105 4.660 -0.008 0.000 0.344 177 W C 1.589 178.109 176.519 0.003 0.000 1.151 177 W CA -0.148 57.205 57.345 0.012 0.000 1.765 177 W CB -0.288 29.182 29.460 0.017 0.000 1.085 177 W HN 0.124 8.304 8.180 -0.000 0.000 0.596 178 A N 0.600 123.529 122.820 0.182 0.000 1.940 178 A HA -0.058 4.258 4.320 -0.008 0.000 0.219 178 A C 2.347 179.983 177.584 0.086 0.000 1.176 178 A CA 2.135 54.232 52.037 0.100 0.000 0.631 178 A CB -1.079 17.948 19.000 0.045 0.000 0.814 178 A HN 0.216 8.366 8.150 -0.000 0.000 0.446 179 G N -1.839 107.017 108.800 0.093 0.000 2.598 179 G HA2 -0.056 3.899 3.960 -0.008 0.000 0.215 179 G HA3 -0.056 3.899 3.960 -0.008 0.000 0.215 179 G C 1.326 176.261 174.900 0.059 0.000 1.131 179 G CA 0.168 45.309 45.100 0.069 0.000 0.785 179 G HN 0.364 8.654 8.290 -0.000 0.000 0.539 180 R N -0.202 120.341 120.500 0.071 0.000 2.613 180 R HA 0.205 4.541 4.340 -0.008 0.000 0.361 180 R C 1.327 177.632 176.300 0.008 0.000 1.072 180 R CA 0.343 56.458 56.100 0.025 0.000 1.089 180 R CB 0.330 30.628 30.300 -0.003 0.000 1.343 180 R HN 0.294 8.564 8.270 -0.000 0.000 0.571 181 G N 1.161 109.980 108.800 0.033 0.000 2.203 181 G HA2 -0.255 3.700 3.960 -0.008 0.000 0.263 181 G HA3 -0.255 3.700 3.960 -0.008 0.000 0.263 181 G C 0.037 174.949 174.900 0.021 0.000 1.012 181 G CA 0.422 45.534 45.100 0.021 0.000 0.749 181 G HN 0.157 8.447 8.290 -0.000 0.000 0.512 182 V N 1.143 121.093 119.914 0.061 0.000 2.334 182 V HA 0.444 4.559 4.120 -0.008 0.000 0.281 182 V C 0.857 177.026 176.094 0.125 0.000 1.016 182 V CA -0.819 61.530 62.300 0.081 0.000 0.832 182 V CB 1.192 33.072 31.823 0.094 0.000 0.999 182 V HN 0.402 8.592 8.190 -0.000 0.000 0.439 183 R N 3.241 123.781 120.500 0.066 0.000 2.410 183 R HA 0.730 5.066 4.340 -0.008 0.000 0.288 183 R C -1.143 175.194 176.300 0.061 0.000 1.051 183 R CA -0.504 55.621 56.100 0.041 0.000 1.021 183 R CB 1.744 32.037 30.300 -0.012 0.000 1.032 183 R HN 0.495 8.765 8.270 -0.000 0.000 0.481 184 V N 3.350 123.289 119.914 0.043 0.000 2.524 184 V HA 0.351 4.466 4.120 -0.008 0.000 0.297 184 V C -0.631 175.459 176.094 -0.007 0.000 1.035 184 V CA -0.951 61.374 62.300 0.042 0.000 0.867 184 V CB 1.686 33.545 31.823 0.061 0.000 1.004 184 V HN 0.811 9.001 8.190 -0.000 0.000 0.426 185 N N 2.172 120.864 118.700 -0.014 0.000 2.455 185 N HA 0.865 5.601 4.740 -0.008 0.000 0.278 185 N C -0.796 174.691 175.510 -0.039 0.000 1.291 185 N CA -0.474 52.553 53.050 -0.038 0.000 0.780 185 N CB 2.883 41.345 38.487 -0.042 0.000 1.520 185 N HN 0.785 9.165 8.380 -0.000 0.000 0.486 186 A N 0.870 123.645 122.820 -0.075 0.000 2.401 186 A HA 0.711 5.027 4.320 -0.008 0.000 0.310 186 A C -0.710 176.817 177.584 -0.095 0.000 1.075 186 A CA -0.582 51.400 52.037 -0.093 0.000 0.746 186 A CB 0.928 19.826 19.000 -0.169 0.000 1.277 186 A HN 0.530 8.680 8.150 -0.000 0.000 0.425 187 L N 1.058 122.249 121.223 -0.053 0.000 2.357 187 L HA 0.644 4.980 4.340 -0.008 0.000 0.273 187 L C 0.590 177.430 176.870 -0.051 0.000 1.080 187 L CA -0.439 54.378 54.840 -0.037 0.000 0.803 187 L CB 1.808 43.867 42.059 0.001 0.000 1.174 187 L HN 0.801 9.031 8.230 -0.000 0.000 0.443 188 A N 3.529 126.322 122.820 -0.045 0.000 2.978 188 A HA 0.609 4.924 4.320 -0.008 0.000 0.341 188 A C -2.552 175.015 177.584 -0.028 0.000 1.105 188 A CA -1.375 50.662 52.037 0.000 0.000 0.819 188 A CB -0.084 18.926 19.000 0.017 0.000 1.080 188 A HN 0.324 8.474 8.150 -0.000 0.000 0.476 189 P HA 0.329 4.749 4.420 -0.000 0.000 0.274 189 P C 0.911 178.122 177.300 -0.149 0.000 1.231 189 P CA 0.252 63.312 63.100 -0.067 0.000 0.790 189 P CB 1.140 32.811 31.700 -0.048 0.000 0.951 190 G N 0.437 109.138 108.800 -0.164 0.000 2.531 190 G HA2 0.208 4.164 3.960 -0.008 0.000 0.253 190 G HA3 0.208 4.164 3.960 -0.008 0.000 0.253 190 G C -0.844 173.844 174.900 -0.353 0.000 1.439 190 G CA -0.378 44.526 45.100 -0.328 0.000 1.056 190 G HN 0.326 8.616 8.290 -0.000 0.000 0.555 191 Y N -0.948 119.230 120.300 -0.204 0.000 2.610 191 Y HA 0.332 4.877 4.550 -0.008 0.000 0.332 191 Y C 0.653 176.537 175.900 -0.028 0.000 1.201 191 Y CA 0.190 58.195 58.100 -0.159 0.000 1.465 191 Y CB 0.671 39.044 38.460 -0.144 0.000 1.283 191 Y HN 0.050 8.330 8.280 -0.000 0.000 0.563 192 V N 2.323 122.326 119.914 0.148 0.000 2.656 192 V HA 0.563 4.678 4.120 -0.008 0.000 0.307 192 V C -0.145 176.029 176.094 0.133 0.000 1.051 192 V CA -1.506 60.860 62.300 0.110 0.000 0.893 192 V CB 1.851 33.702 31.823 0.048 0.000 0.999 192 V HN 0.857 9.047 8.190 -0.000 0.000 0.426 193 A N 3.419 126.311 122.820 0.121 0.000 2.981 193 A HA 0.545 4.861 4.320 -0.008 0.000 0.280 193 A C 0.695 178.316 177.584 0.062 0.000 1.743 193 A CA 0.391 52.490 52.037 0.103 0.000 1.430 193 A CB -0.853 18.203 19.000 0.094 0.000 1.085 193 A HN 1.031 9.181 8.150 -0.000 0.000 0.597 194 T N -2.357 112.232 114.554 0.059 0.000 2.807 194 T HA 0.483 4.828 4.350 -0.008 0.000 0.277 194 T C 0.888 175.605 174.700 0.028 0.000 1.006 194 T CA -0.001 62.120 62.100 0.035 0.000 1.006 194 T CB 0.925 69.810 68.868 0.029 0.000 1.274 194 T HN 0.240 8.480 8.240 -0.000 0.000 0.569 195 E N 0.150 120.360 120.200 0.017 0.000 2.097 195 E HA -0.193 4.152 4.350 -0.008 0.000 0.196 195 E C 2.104 178.715 176.600 0.020 0.000 1.000 195 E CA 2.007 58.415 56.400 0.012 0.000 0.804 195 E CB -0.494 29.211 29.700 0.008 0.000 0.740 195 E HN 0.673 9.033 8.360 -0.000 0.000 0.454 196 M N -0.120 119.494 119.600 0.024 0.000 2.089 196 M HA -0.191 4.285 4.480 -0.008 0.000 0.257 196 M C 1.557 177.884 176.300 0.046 0.000 1.071 196 M CA 2.548 57.864 55.300 0.026 0.000 1.096 196 M CB -0.284 32.328 32.600 0.020 0.000 1.330 196 M HN 0.283 8.573 8.290 -0.000 0.000 0.403 197 T N -1.853 112.746 114.554 0.074 0.000 3.145 197 T HA 0.128 4.474 4.350 -0.008 0.000 0.255 197 T C 1.200 175.956 174.700 0.093 0.000 1.039 197 T CA -0.081 62.105 62.100 0.143 0.000 0.928 197 T CB -0.079 68.924 68.868 0.226 0.000 1.029 197 T HN 0.381 8.621 8.240 -0.000 0.000 0.554 198 L N 1.796 123.037 121.223 0.031 0.000 1.994 198 L HA 0.053 4.389 4.340 -0.008 0.000 0.208 198 L C 2.310 179.144 176.870 -0.061 0.000 1.071 198 L CA 1.775 56.601 54.840 -0.023 0.000 0.745 198 L CB -0.426 41.620 42.059 -0.021 0.000 0.892 198 L HN 0.036 8.266 8.230 -0.000 0.000 0.431 199 K N -0.584 119.795 120.400 -0.035 0.000 1.985 199 K HA -0.183 4.132 4.320 -0.008 0.000 0.210 199 K C 2.133 178.681 176.600 -0.087 0.000 1.047 199 K CA 2.067 58.322 56.287 -0.053 0.000 0.932 199 K CB -0.737 31.748 32.500 -0.024 0.000 0.716 199 K HN 0.375 8.625 8.250 -0.000 0.000 0.439 200 M N 0.862 120.436 119.600 -0.042 0.000 2.143 200 M HA -0.196 4.279 4.480 -0.008 0.000 0.258 200 M C 2.143 178.263 176.300 -0.301 0.000 1.071 200 M CA 1.653 56.894 55.300 -0.099 0.000 1.088 200 M CB -0.342 32.350 32.600 0.153 0.000 1.360 200 M HN 0.105 8.395 8.290 -0.000 0.000 0.404 201 R N -0.042 120.282 120.500 -0.294 0.000 2.293 201 R HA -0.113 4.222 4.340 -0.008 0.000 0.219 201 R C 1.662 177.604 176.300 -0.598 0.000 1.091 201 R CA 0.870 56.570 56.100 -0.666 0.000 1.004 201 R CB -0.282 29.591 30.300 -0.711 0.000 0.865 201 R HN 0.579 8.849 8.270 -0.000 0.000 0.469 202 E N 0.425 120.425 120.200 -0.333 0.000 2.230 202 E HA -0.044 4.301 4.350 -0.008 0.000 0.192 202 E C 0.195 176.681 176.600 -0.190 0.000 0.987 202 E CA 0.352 56.613 56.400 -0.232 0.000 0.841 202 E CB 0.187 29.796 29.700 -0.152 0.000 0.783 202 E HN 0.183 8.543 8.360 -0.000 0.000 0.481 203 R N 1.794 122.171 120.500 -0.205 0.000 2.242 203 R HA 0.069 4.404 4.340 -0.008 0.000 0.334 203 R C -1.912 174.280 176.300 -0.181 0.000 1.071 203 R CA -1.297 54.699 56.100 -0.175 0.000 0.922 203 R CB 0.553 30.746 30.300 -0.179 0.000 1.023 203 R HN -0.012 8.258 8.270 -0.000 0.000 0.458 204 P HA -0.185 4.235 4.420 -0.000 0.000 0.222 204 P C 0.912 178.142 177.300 -0.117 0.000 1.153 204 P CA 0.799 63.855 63.100 -0.072 0.000 0.798 204 P CB 0.227 31.902 31.700 -0.042 0.000 0.796 205 E N 0.022 120.145 120.200 -0.128 0.000 2.160 205 E HA -0.177 4.168 4.350 -0.008 0.000 0.195 205 E C 1.479 177.958 176.600 -0.201 0.000 0.991 205 E CA 1.346 57.668 56.400 -0.129 0.000 0.810 205 E CB -1.080 28.562 29.700 -0.097 0.000 0.742 205 E HN 0.186 8.546 8.360 -0.000 0.000 0.466 206 L N -0.270 120.757 121.223 -0.328 0.000 2.121 206 L HA 0.068 4.404 4.340 -0.008 0.000 0.200 206 L C 2.420 178.742 176.870 -0.913 0.000 1.077 206 L CA 1.161 55.627 54.840 -0.622 0.000 0.766 206 L CB -1.087 40.500 42.059 -0.787 0.000 0.931 206 L HN 0.066 8.296 8.230 -0.000 0.000 0.452 207 F N 0.871 120.278 119.950 -0.905 0.000 2.171 207 F HA -0.179 4.350 4.527 0.004 0.000 0.300 207 F C 2.372 177.989 175.800 -0.305 0.000 1.090 207 F CA 1.481 59.044 58.000 -0.728 0.000 1.293 207 F CB -0.125 38.591 39.000 -0.473 0.000 1.013 207 F HN 0.202 8.502 8.300 -0.000 0.000 0.486 208 E N -0.866 119.193 120.200 -0.235 0.000 2.077 208 E HA -0.197 4.149 4.350 -0.008 0.000 0.193 208 E C 2.115 178.628 176.600 -0.145 0.000 0.989 208 E CA 1.924 58.215 56.400 -0.182 0.000 0.800 208 E CB -0.406 29.238 29.700 -0.092 0.000 0.746 208 E HN 0.333 8.693 8.360 -0.000 0.000 0.452 209 T N 0.386 114.869 114.554 -0.118 0.000 2.708 209 T HA -0.162 4.184 4.350 -0.008 0.000 0.266 209 T C 1.276 176.081 174.700 0.175 0.000 1.037 209 T CA 1.162 63.271 62.100 0.014 0.000 1.146 209 T CB -0.286 68.603 68.868 0.034 0.000 0.865 209 T HN 0.272 8.511 8.240 -0.000 0.000 0.435 210 W N 1.604 122.836 121.300 -0.113 0.000 2.318 210 W HA 0.004 4.657 4.660 -0.012 0.000 0.313 210 W C 2.146 178.645 176.519 -0.034 0.000 1.221 210 W CA 0.222 57.512 57.345 -0.092 0.000 1.266 210 W CB -1.516 27.610 29.460 -0.557 0.000 1.150 210 W HN 0.259 8.439 8.180 -0.000 0.000 0.496 211 L N -0.465 120.739 121.223 -0.031 0.000 2.056 211 L HA -0.202 4.134 4.340 -0.008 0.000 0.207 211 L C 2.065 178.974 176.870 0.064 0.000 1.078 211 L CA 1.980 56.784 54.840 -0.061 0.000 0.749 211 L CB -1.105 40.798 42.059 -0.260 0.000 0.901 211 L HN -0.049 8.181 8.230 -0.000 0.000 0.433 212 D N -0.281 120.150 120.400 0.051 0.000 2.263 212 D HA -0.183 4.453 4.640 -0.008 0.000 0.208 212 D C 2.074 178.467 176.300 0.156 0.000 0.971 212 D CA 0.941 54.986 54.000 0.075 0.000 0.867 212 D CB 0.210 41.014 40.800 0.007 0.000 0.929 212 D HN 0.100 8.470 8.370 -0.000 0.000 0.492 213 M N -0.137 119.573 119.600 0.183 0.000 2.561 213 M HA 0.105 4.581 4.480 -0.008 0.000 0.238 213 M C 0.094 176.458 176.300 0.106 0.000 1.131 213 M CA 0.515 55.884 55.300 0.116 0.000 1.046 213 M CB 0.188 32.776 32.600 -0.018 0.000 1.532 213 M HN -0.161 8.129 8.290 -0.000 0.000 0.497 214 T N 1.690 116.391 114.554 0.244 0.000 2.756 214 T HA 0.267 4.612 4.350 -0.008 0.000 0.290 214 T C -1.858 172.825 174.700 -0.027 0.000 0.985 214 T CA -1.143 61.035 62.100 0.130 0.000 0.955 214 T CB 2.080 71.092 68.868 0.239 0.000 0.930 214 T HN -0.046 8.194 8.240 -0.000 0.000 0.451 215 P HA -0.014 4.406 4.420 -0.000 0.000 0.216 215 P C 1.525 178.721 177.300 -0.174 0.000 1.150 215 P CA 1.110 63.860 63.100 -0.584 0.000 0.837 215 P CB 0.057 31.206 31.700 -0.919 0.000 0.786 216 M N -2.464 117.066 119.600 -0.117 0.000 2.557 216 M HA 0.077 4.553 4.480 -0.008 0.000 0.259 216 M C 1.185 177.490 176.300 0.008 0.000 1.086 216 M CA 1.241 56.516 55.300 -0.040 0.000 1.096 216 M CB -0.830 31.754 32.600 -0.028 0.000 1.424 216 M HN 0.057 8.347 8.290 -0.000 0.000 0.488 217 G N 2.837 111.656 108.800 0.031 0.000 2.179 217 G HA2 -0.288 3.668 3.960 -0.008 0.000 0.257 217 G HA3 -0.288 3.668 3.960 -0.008 0.000 0.257 217 G C 0.015 174.933 174.900 0.029 0.000 1.010 217 G CA 0.778 45.903 45.100 0.043 0.000 0.736 217 G HN 0.624 8.914 8.290 -0.000 0.000 0.513 218 R N -2.263 118.266 120.500 0.049 0.000 2.692 218 R HA 0.665 5.001 4.340 -0.008 0.000 0.269 218 R C -0.077 176.293 176.300 0.116 0.000 1.030 218 R CA -0.634 55.508 56.100 0.070 0.000 0.882 218 R CB 0.230 30.573 30.300 0.072 0.000 1.250 218 R HN 0.211 8.481 8.270 -0.000 0.000 0.465 219 C N 1.169 120.574 119.300 0.174 0.000 2.656 219 C HA 0.548 5.003 4.460 -0.008 0.000 0.391 219 C C 1.412 176.485 174.990 0.137 0.000 1.300 219 C CA 0.395 59.538 59.018 0.209 0.000 2.302 219 C CB 0.609 28.523 27.740 0.291 0.000 2.655 219 C HN 0.838 9.068 8.230 -0.000 0.000 0.656 220 G N 1.071 109.937 108.800 0.110 0.000 2.507 220 G HA2 0.428 4.383 3.960 -0.008 0.000 0.271 220 G HA3 0.428 4.383 3.960 -0.008 0.000 0.271 220 G C -0.442 174.499 174.900 0.069 0.000 1.189 220 G CA -0.152 44.989 45.100 0.069 0.000 0.859 220 G HN 0.739 9.029 8.290 -0.000 0.000 0.542 221 E N 1.416 121.645 120.200 0.049 0.000 2.343 221 E HA 0.159 4.505 4.350 -0.008 0.000 0.269 221 E C -1.424 175.193 176.600 0.029 0.000 1.047 221 E CA -2.087 54.337 56.400 0.041 0.000 0.874 221 E CB 1.435 31.154 29.700 0.032 0.000 1.033 221 E HN 0.091 8.451 8.360 -0.000 0.000 0.409 222 P HA -0.235 4.185 4.420 -0.000 0.000 0.218 222 P C 1.333 178.636 177.300 0.005 0.000 1.154 222 P CA 2.094 65.200 63.100 0.010 0.000 0.872 222 P CB 0.131 31.834 31.700 0.005 0.000 0.790 223 S N -0.728 114.977 115.700 0.008 0.000 2.419 223 S HA -0.191 4.274 4.470 -0.008 0.000 0.233 223 S C 1.780 176.388 174.600 0.012 0.000 1.016 223 S CA 1.196 59.401 58.200 0.009 0.000 0.974 223 S CB -1.103 62.102 63.200 0.009 0.000 0.786 223 S HN 0.306 8.616 8.310 -0.000 0.000 0.492 224 E N 0.639 120.846 120.200 0.012 0.000 2.216 224 E HA 0.010 4.355 4.350 -0.008 0.000 0.192 224 E C 1.735 178.344 176.600 0.015 0.000 0.988 224 E CA 0.729 57.135 56.400 0.010 0.000 0.834 224 E CB -0.129 29.576 29.700 0.008 0.000 0.772 224 E HN 0.478 8.838 8.360 -0.000 0.000 0.479 225 I N 1.099 121.677 120.570 0.014 0.000 2.277 225 I HA -0.112 4.054 4.170 -0.008 0.000 0.243 225 I C 2.499 178.631 176.117 0.025 0.000 1.094 225 I CA 0.891 62.200 61.300 0.015 0.000 1.393 225 I CB -1.522 36.479 38.000 0.002 0.000 1.078 225 I HN -0.023 8.187 8.210 -0.000 0.000 0.417 226 A N 1.165 123.993 122.820 0.013 0.000 1.933 226 A HA -0.097 4.219 4.320 -0.008 0.000 0.218 226 A C 2.552 180.188 177.584 0.087 0.000 1.175 226 A CA 1.982 54.029 52.037 0.017 0.000 0.628 226 A CB -0.754 18.237 19.000 -0.015 0.000 0.814 226 A HN 0.410 8.560 8.150 -0.000 0.000 0.444 227 A N -0.271 122.592 122.820 0.072 0.000 1.930 227 A HA 0.198 4.514 4.320 -0.008 0.000 0.217 227 A C 2.451 180.117 177.584 0.137 0.000 1.175 227 A CA 1.907 53.996 52.037 0.087 0.000 0.627 227 A CB -0.841 18.175 19.000 0.026 0.000 0.815 227 A HN 1.007 9.157 8.150 -0.000 0.000 0.443 228 A N -0.200 122.693 122.820 0.123 0.000 1.929 228 A HA 0.246 4.561 4.320 -0.008 0.000 0.216 228 A C 2.467 180.197 177.584 0.243 0.000 1.176 228 A CA 1.765 53.912 52.037 0.183 0.000 0.628 228 A CB -0.891 18.179 19.000 0.116 0.000 0.816 228 A HN 0.970 9.120 8.150 -0.000 0.000 0.444 229 A N -0.250 122.683 122.820 0.188 0.000 1.902 229 A HA -0.043 4.273 4.320 -0.008 0.000 0.217 229 A C 2.114 179.908 177.584 0.351 0.000 1.181 229 A CA 1.725 53.891 52.037 0.215 0.000 0.623 229 A CB -0.650 18.424 19.000 0.123 0.000 0.818 229 A HN 0.710 8.860 8.150 -0.000 0.000 0.443 230 L N -1.118 120.358 121.223 0.422 0.000 2.012 230 L HA -0.151 4.184 4.340 -0.008 0.000 0.210 230 L C 2.195 179.209 176.870 0.241 0.000 1.073 230 L CA 2.534 57.602 54.840 0.380 0.000 0.748 230 L CB -0.943 41.315 42.059 0.331 0.000 0.891 230 L HN 0.450 8.680 8.230 -0.000 0.000 0.431 231 F N 0.033 120.090 119.950 0.178 0.000 2.065 231 F HA -0.261 4.261 4.527 -0.008 0.000 0.298 231 F C 2.082 177.969 175.800 0.145 0.000 1.112 231 F CA 2.117 60.249 58.000 0.221 0.000 1.212 231 F CB -0.729 38.385 39.000 0.191 0.000 0.975 231 F HN 0.091 8.391 8.300 -0.000 0.000 0.476 232 L N -0.032 121.062 121.223 -0.215 0.000 2.131 232 L HA -0.171 4.165 4.340 -0.008 0.000 0.210 232 L C 2.650 179.385 176.870 -0.224 0.000 1.092 232 L CA 1.149 55.782 54.840 -0.346 0.000 0.759 232 L CB -1.105 40.909 42.059 -0.075 0.000 0.903 232 L HN 0.327 8.557 8.230 -0.000 0.000 0.435 233 A N -0.638 122.119 122.820 -0.106 0.000 2.123 233 A HA 0.013 4.328 4.320 -0.008 0.000 0.214 233 A C 1.426 178.892 177.584 -0.198 0.000 1.152 233 A CA 0.640 52.599 52.037 -0.130 0.000 0.728 233 A CB -0.236 18.657 19.000 -0.178 0.000 0.814 233 A HN 0.447 8.597 8.150 -0.000 0.000 0.464 234 S N -1.034 114.552 115.700 -0.190 0.000 2.693 234 S HA 0.447 4.912 4.470 -0.008 0.000 0.276 234 S C -1.968 172.527 174.600 -0.175 0.000 1.192 234 S CA -1.106 57.000 58.200 -0.156 0.000 0.994 234 S CB 0.914 64.090 63.200 -0.039 0.000 1.012 234 S HN 0.003 8.313 8.310 -0.000 0.000 0.550 235 P HA 0.048 4.468 4.420 -0.000 0.000 0.225 235 P C 1.366 178.564 177.300 -0.170 0.000 1.148 235 P CA 1.307 64.319 63.100 -0.147 0.000 0.779 235 P CB -0.295 31.325 31.700 -0.133 0.000 0.780 236 A N 0.518 123.202 122.820 -0.228 0.000 1.978 236 A HA -0.101 4.214 4.320 -0.008 0.000 0.220 236 A C 2.010 179.563 177.584 -0.053 0.000 1.170 236 A CA 1.858 53.777 52.037 -0.196 0.000 0.636 236 A CB -1.368 17.434 19.000 -0.331 0.000 0.810 236 A HN 0.242 8.392 8.150 -0.000 0.000 0.448 237 A N 0.234 122.876 122.820 -0.296 0.000 2.476 237 A HA 0.388 4.704 4.320 -0.008 0.000 0.263 237 A C 1.733 179.232 177.584 -0.141 0.000 1.342 237 A CA 0.767 52.570 52.037 -0.390 0.000 0.926 237 A CB -0.814 17.667 19.000 -0.866 0.000 1.019 237 A HN 0.784 8.934 8.150 -0.000 0.000 0.515 238 S N -1.504 114.165 115.700 -0.050 0.000 2.474 238 S HA -0.140 4.325 4.470 -0.008 0.000 0.235 238 S C 1.160 175.830 174.600 0.117 0.000 0.997 238 S CA 1.058 59.260 58.200 0.003 0.000 0.949 238 S CB -0.476 62.721 63.200 -0.004 0.000 0.766 238 S HN 0.599 8.909 8.310 -0.000 0.000 0.517 239 Y N 1.737 122.021 120.300 -0.026 0.000 2.555 239 Y HA 0.493 5.039 4.550 -0.007 0.000 0.259 239 Y C -0.255 175.646 175.900 0.002 0.000 1.179 239 Y CA -1.278 56.820 58.100 -0.004 0.000 1.230 239 Y CB 0.437 38.905 38.460 0.014 0.000 1.146 239 Y HN 0.055 8.335 8.280 -0.000 0.000 0.526 240 V N 0.991 120.894 119.914 -0.018 0.000 2.350 240 V HA 0.482 4.598 4.120 -0.008 0.000 0.276 240 V C 0.070 176.105 176.094 -0.098 0.000 1.028 240 V CA -0.279 61.980 62.300 -0.068 0.000 0.860 240 V CB 1.143 32.945 31.823 -0.035 0.000 0.990 240 V HN 0.195 8.385 8.190 -0.000 0.000 0.453 241 T N 2.912 117.394 114.554 -0.120 0.000 2.932 241 T HA 0.589 4.935 4.350 -0.008 0.000 0.318 241 T C 0.643 175.293 174.700 -0.084 0.000 1.265 241 T CA 0.646 62.694 62.100 -0.087 0.000 1.036 241 T CB 1.437 70.262 68.868 -0.072 0.000 1.209 241 T HN 1.517 9.757 8.240 -0.000 0.000 0.484 242 G N 1.844 110.606 108.800 -0.064 0.000 2.166 242 G HA2 -0.028 3.928 3.960 -0.008 0.000 0.260 242 G HA3 -0.028 3.928 3.960 -0.008 0.000 0.260 242 G C 0.384 175.243 174.900 -0.069 0.000 0.986 242 G CA 0.395 45.455 45.100 -0.066 0.000 0.683 242 G HN 1.303 9.593 8.290 -0.000 0.000 0.527 243 A N 0.059 122.840 122.820 -0.065 0.000 2.340 243 A HA 0.712 5.027 4.320 -0.008 0.000 0.268 243 A C 0.331 177.860 177.584 -0.092 0.000 1.100 243 A CA -0.252 51.750 52.037 -0.059 0.000 0.803 243 A CB 0.467 19.453 19.000 -0.023 0.000 1.043 243 A HN 0.612 8.762 8.150 -0.000 0.000 0.488 244 I N 2.929 123.430 120.570 -0.116 0.000 2.354 244 I HA 0.222 4.387 4.170 -0.008 0.000 0.286 244 I C -0.612 175.436 176.117 -0.116 0.000 1.007 244 I CA -0.439 60.739 61.300 -0.203 0.000 1.167 244 I CB 0.792 38.602 38.000 -0.315 0.000 1.320 244 I HN 0.527 8.737 8.210 -0.000 0.000 0.458 245 L N 6.947 128.123 121.223 -0.079 0.000 2.257 245 L HA 0.668 5.004 4.340 -0.008 0.000 0.290 245 L C 0.414 177.267 176.870 -0.029 0.000 1.044 245 L CA -0.245 54.585 54.840 -0.017 0.000 0.810 245 L CB 1.083 43.172 42.059 0.050 0.000 1.193 245 L HN 0.657 8.887 8.230 -0.000 0.000 0.425 246 A N 4.948 127.754 122.820 -0.024 0.000 2.454 246 A HA 0.536 4.852 4.320 -0.008 0.000 0.260 246 A C -0.226 177.349 177.584 -0.016 0.000 1.106 246 A CA -0.258 51.767 52.037 -0.020 0.000 0.780 246 A CB 0.165 19.158 19.000 -0.012 0.000 1.044 246 A HN 0.657 8.807 8.150 -0.000 0.000 0.498 247 V N 4.089 123.992 119.914 -0.019 0.000 2.384 247 V HA 0.227 4.342 4.120 -0.008 0.000 0.257 247 V C -0.598 175.482 176.094 -0.024 0.000 0.969 247 V CA -0.038 62.253 62.300 -0.016 0.000 0.910 247 V CB 0.493 32.314 31.823 -0.004 0.000 1.150 247 V HN 1.018 9.208 8.190 -0.000 0.000 0.481 248 D N 0.771 121.158 120.400 -0.022 0.000 2.620 248 D HA 0.200 4.835 4.640 -0.008 0.000 0.260 248 D C 1.348 177.657 176.300 0.016 0.000 1.367 248 D CA 0.220 54.210 54.000 -0.018 0.000 0.805 248 D CB 0.518 41.304 40.800 -0.024 0.000 1.096 248 D HN 0.526 8.896 8.370 -0.000 0.000 0.488 249 G N 0.306 109.101 108.800 -0.008 0.000 2.233 249 G HA2 -0.091 3.864 3.960 -0.008 0.000 0.270 249 G HA3 -0.091 3.864 3.960 -0.008 0.000 0.270 249 G C 1.264 176.112 174.900 -0.087 0.000 1.011 249 G CA 0.765 45.849 45.100 -0.026 0.000 0.762 249 G HN 1.508 9.798 8.290 -0.000 0.000 0.511 250 G N -2.116 106.629 108.800 -0.093 0.000 2.175 250 G HA2 -0.290 3.665 3.960 -0.008 0.000 0.244 250 G HA3 -0.290 3.665 3.960 -0.008 0.000 0.244 250 G C 0.917 175.709 174.900 -0.180 0.000 0.982 250 G CA 1.162 46.150 45.100 -0.188 0.000 0.641 250 G HN 1.353 9.643 8.290 -0.000 0.000 0.527 251 Y N 2.156 122.363 120.300 -0.155 0.000 2.096 251 Y HA -0.254 4.292 4.550 -0.007 0.000 0.278 251 Y C 3.078 178.962 175.900 -0.027 0.000 1.192 251 Y CA 3.497 61.555 58.100 -0.070 0.000 1.143 251 Y CB -0.279 38.153 38.460 -0.046 0.000 0.963 251 Y HN 0.550 8.830 8.280 -0.000 0.000 0.505 252 T N -3.264 111.407 114.554 0.195 0.000 3.148 252 T HA 0.021 4.367 4.350 -0.008 0.000 0.253 252 T C 1.700 176.433 174.700 0.055 0.000 1.134 252 T CA 0.735 62.923 62.100 0.147 0.000 1.051 252 T CB -0.603 68.330 68.868 0.109 0.000 0.959 252 T HN 0.142 8.382 8.240 -0.000 0.000 0.525 253 V N -0.484 119.409 119.914 -0.034 0.000 2.407 253 V HA 0.078 4.194 4.120 -0.008 0.000 0.245 253 V C 1.591 177.707 176.094 0.038 0.000 1.041 253 V CA 0.414 62.674 62.300 -0.067 0.000 1.040 253 V CB -0.467 31.226 31.823 -0.217 0.000 0.671 253 V HN 0.528 8.718 8.190 -0.000 0.000 0.455 254 W N 0.000 121.267 121.300 -0.055 0.000 2.388 254 W HA 0.000 4.655 4.660 -0.009 0.000 0.303 254 W CA 0.000 57.301 57.345 -0.073 0.000 1.226 254 W CB 0.000 29.384 29.460 -0.126 0.000 1.126 254 W HN 0.000 8.180 8.180 -0.000 0.000 0.535