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 2kc2_1_A DATA FIRST_RESID 75 DATA SEQUENCE SSGLVPRGSH MRPLKIRMLD GTVKTIMVDD SKTVTDMLMT ICARIGITNH DATA SEQUENCE DEYSLVRELM EEKKDEGTGT LRKDKTLLRD EKKMEKLKQK LHTDDELNWL DATA SEQUENCE DHGRTLREQG VEEHETLLLR RKFFYSDQ 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 75 S HA 0.000 4.471 4.470 0.001 0.000 0.327 75 S C 0.000 174.601 174.600 0.001 0.000 1.055 75 S CA 0.000 58.201 58.200 0.001 0.000 1.107 75 S CB 0.000 63.201 63.200 0.001 0.000 0.593 76 S N 2.128 117.829 115.700 0.001 0.000 2.882 76 S HA 0.033 4.503 4.470 0.001 0.000 0.258 76 S C 1.099 175.699 174.600 0.001 0.000 1.081 76 S CA 0.501 58.702 58.200 0.001 0.000 0.886 76 S CB 1.148 64.349 63.200 0.001 0.000 0.855 76 S HN 0.079 8.390 8.310 0.001 0.000 0.467 77 G N 3.923 112.724 108.800 0.001 0.000 3.782 77 G HA2 0.233 4.193 3.960 0.001 0.000 0.288 77 G HA3 0.233 4.194 3.960 0.001 0.000 0.288 77 G C -1.531 173.370 174.900 0.001 0.000 1.300 77 G CA -0.247 44.854 45.100 0.001 0.000 1.261 77 G HN -0.013 8.277 8.290 0.001 0.000 0.591 78 L N -2.474 118.749 121.223 0.001 0.000 2.352 78 L HA 0.496 4.837 4.340 0.002 0.000 0.272 78 L C -0.965 175.906 176.870 0.001 0.000 1.109 78 L CA -0.547 54.294 54.840 0.001 0.000 0.952 78 L CB -0.493 41.567 42.059 0.001 0.000 1.314 78 L HN -0.729 7.416 8.230 0.001 0.085 0.427 79 V N 6.810 126.725 119.914 0.001 0.000 2.406 79 V HA 0.307 4.426 4.120 -0.001 0.000 0.272 79 V C -1.240 174.853 176.094 -0.001 0.000 1.043 79 V CA -2.448 59.852 62.300 -0.000 0.000 0.915 79 V CB 0.903 32.726 31.823 0.000 0.000 0.988 79 V HN -0.153 8.038 8.190 0.001 0.000 0.466 80 P HA 0.078 4.496 4.420 -0.004 0.000 0.274 80 P C -0.449 176.846 177.300 -0.007 0.000 1.264 80 P CA -0.037 63.059 63.100 -0.005 0.000 0.795 80 P CB 0.733 32.428 31.700 -0.008 0.000 1.064 81 R N -3.434 117.059 120.500 -0.013 0.000 3.878 81 R HA -0.364 3.959 4.340 -0.029 0.000 0.330 81 R C 0.660 176.958 176.300 -0.004 0.000 1.186 81 R CA 0.682 56.773 56.100 -0.017 0.000 0.885 81 R CB -1.865 28.426 30.300 -0.016 0.000 1.377 81 R HN 0.482 8.743 8.270 -0.015 0.000 0.523 82 G N -2.868 105.933 108.800 0.001 0.000 2.396 82 G HA2 -0.086 3.879 3.960 0.009 0.000 0.214 82 G HA3 -0.086 3.879 3.960 0.009 0.000 0.214 82 G C 0.057 174.968 174.900 0.019 0.000 1.166 82 G CA 0.534 45.640 45.100 0.009 0.000 0.793 82 G HN 0.567 8.820 8.290 -0.001 0.037 0.533 83 S N -0.851 114.863 115.700 0.023 0.000 2.713 83 S HA 0.256 4.759 4.470 0.054 0.000 0.296 83 S C -1.592 173.048 174.600 0.066 0.000 1.114 83 S CA -1.036 57.193 58.200 0.048 0.000 0.997 83 S CB 1.514 64.742 63.200 0.047 0.000 1.249 83 S HN -0.414 7.904 8.310 0.013 0.000 0.534 84 H N 3.086 122.159 119.070 0.005 0.000 2.723 84 H HA 0.127 4.687 4.556 0.006 0.000 0.294 84 H C -2.095 173.237 175.328 0.007 0.000 1.079 84 H CA -0.397 55.654 56.048 0.006 0.000 1.411 84 H CB 0.706 30.472 29.762 0.006 0.000 1.439 84 H HN 0.038 8.424 8.280 0.177 0.000 0.474 85 M N 4.160 123.577 119.600 -0.305 0.000 2.243 85 M HA 1.067 5.817 4.480 -0.058 -0.305 0.324 85 M C -1.786 174.363 176.300 -0.252 0.000 1.031 85 M CA -1.303 53.892 55.300 -0.174 0.000 0.949 85 M CB 2.955 35.498 32.600 -0.094 0.000 1.615 85 M HN -0.029 8.017 8.290 -0.408 0.000 0.430 86 R N -0.008 120.432 120.500 -0.100 0.000 2.725 86 R HA 0.590 4.873 4.340 -0.094 0.000 0.277 86 R C -2.762 173.534 176.300 -0.006 0.000 0.987 86 R CA -3.359 52.710 56.100 -0.052 0.000 0.901 86 R CB 2.255 32.587 30.300 0.054 0.000 1.207 86 R HN 0.450 8.704 8.270 -0.027 0.000 0.463 87 P HA 0.018 4.555 4.420 0.006 -0.113 0.281 87 P C -1.838 175.475 177.300 0.020 0.000 1.286 87 P CA -0.367 62.739 63.100 0.008 0.000 0.772 87 P CB 0.208 31.912 31.700 0.006 0.000 0.862 88 L N 5.365 126.601 121.223 0.021 0.000 2.322 88 L HA 0.271 4.625 4.340 0.023 0.000 0.281 88 L C -1.319 175.561 176.870 0.017 0.000 1.014 88 L CA -2.145 52.708 54.840 0.022 0.000 0.815 88 L CB 3.355 45.430 42.059 0.027 0.000 1.247 88 L HN 0.937 9.065 8.230 0.019 0.114 0.421 89 K N 5.919 126.327 120.400 0.013 0.000 2.220 89 K HA 0.034 4.360 4.320 0.010 0.000 0.283 89 K C -0.911 175.691 176.600 0.004 0.000 1.098 89 K CA -1.310 54.983 56.287 0.009 0.000 0.928 89 K CB -1.622 30.884 32.500 0.009 0.000 1.214 89 K HN 0.593 8.851 8.250 0.013 0.000 0.442 90 I N 0.283 120.858 120.570 0.009 0.000 2.389 90 I HA 0.885 5.292 4.170 0.004 -0.234 0.288 90 I C -1.440 174.681 176.117 0.006 0.000 0.999 90 I CA -2.280 59.027 61.300 0.011 0.000 1.129 90 I CB 2.119 40.136 38.000 0.029 0.000 1.288 90 I HN 0.132 8.349 8.210 0.012 0.000 0.444 91 R N 6.838 127.335 120.500 -0.005 0.000 2.297 91 R HA 0.328 4.864 4.340 -0.006 -0.200 0.308 91 R C -0.892 175.407 176.300 -0.002 0.000 1.029 91 R CA -1.334 54.759 56.100 -0.011 0.000 0.929 91 R CB 2.261 32.542 30.300 -0.031 0.000 1.046 91 R HN 0.756 9.018 8.270 -0.013 0.000 0.461 92 M N 6.934 126.537 119.600 0.004 0.000 2.364 92 M HA -0.121 4.379 4.480 0.033 0.000 0.342 92 M C 0.398 176.698 176.300 -0.001 0.000 1.601 92 M CA -0.266 55.043 55.300 0.015 0.000 1.156 92 M CB -1.542 31.068 32.600 0.017 0.000 1.912 92 M HN 0.640 8.836 8.290 0.002 0.096 0.460 93 L N 3.154 124.380 121.223 0.005 0.000 3.477 93 L HA -0.601 4.011 4.340 -0.043 -0.299 0.061 93 L C 1.067 177.897 176.870 -0.067 0.000 4.313 93 L CA 2.923 57.746 54.840 -0.029 0.000 0.732 93 L CB -1.397 40.661 42.059 -0.003 0.000 3.467 93 L HN 0.312 8.560 8.230 0.030 0.000 0.654 94 D N -6.017 114.349 120.400 -0.057 0.000 2.540 94 D HA 0.065 4.654 4.640 -0.085 0.000 0.229 94 D C 0.366 176.637 176.300 -0.048 0.000 1.250 94 D CA -0.429 53.529 54.000 -0.071 0.000 0.817 94 D CB 0.056 40.804 40.800 -0.087 0.000 1.060 94 D HN -0.391 7.958 8.370 -0.035 0.000 0.508 95 G N 0.753 109.533 108.800 -0.033 0.000 2.601 95 G HA2 0.234 4.180 3.960 -0.024 0.000 0.214 95 G HA3 0.234 4.186 3.960 -0.014 0.000 0.214 95 G C -0.972 173.915 174.900 -0.022 0.000 2.067 95 G CA 0.042 45.128 45.100 -0.023 0.000 0.774 95 G HN 0.509 8.599 8.290 -0.030 0.182 0.729 96 T N 1.281 115.827 114.554 -0.015 0.000 2.909 96 T HA 0.234 4.573 4.350 -0.017 0.000 0.299 96 T C -1.549 173.145 174.700 -0.009 0.000 1.073 96 T CA -1.182 60.910 62.100 -0.013 0.000 0.999 96 T CB 3.265 72.128 68.868 -0.008 0.000 1.098 96 T HN -0.492 7.742 8.240 -0.010 0.000 0.477 97 V N 4.265 124.173 119.914 -0.010 0.000 2.614 97 V HA -0.069 4.196 4.120 -0.005 -0.148 0.291 97 V C -0.966 175.129 176.094 0.000 0.000 1.049 97 V CA 0.147 62.443 62.300 -0.006 0.000 1.038 97 V CB 0.962 32.780 31.823 -0.009 0.000 0.980 97 V HN 0.308 8.490 8.190 -0.013 0.000 0.481 98 K N 8.866 129.269 120.400 0.005 0.000 2.207 98 K HA 0.417 4.741 4.320 0.006 0.000 0.255 98 K C -1.140 175.466 176.600 0.009 0.000 0.941 98 K CA -2.188 54.104 56.287 0.008 0.000 0.825 98 K CB 3.277 35.784 32.500 0.012 0.000 1.119 98 K HN 1.022 9.156 8.250 0.007 0.120 0.430 99 T N 7.391 121.950 114.554 0.008 0.000 2.776 99 T HA -0.004 4.353 4.350 0.010 0.000 0.292 99 T C -1.070 173.636 174.700 0.010 0.000 0.921 99 T CA 1.069 63.174 62.100 0.009 0.000 1.038 99 T CB -0.104 68.768 68.868 0.007 0.000 0.910 99 T HN 0.280 8.525 8.240 0.007 0.000 0.536 100 I N 8.912 129.491 120.570 0.014 0.000 2.498 100 I HA 0.308 4.486 4.170 0.013 0.000 0.290 100 I C -1.381 174.745 176.117 0.015 0.000 1.032 100 I CA -2.077 59.233 61.300 0.015 0.000 1.073 100 I CB 3.026 41.039 38.000 0.022 0.000 1.251 100 I HN 0.058 8.277 8.210 0.015 0.000 0.426 101 M N 6.280 125.886 119.600 0.011 0.000 2.255 101 M HA 0.622 5.306 4.480 0.007 -0.200 0.336 101 M C -0.776 175.534 176.300 0.016 0.000 1.135 101 M CA -0.998 54.306 55.300 0.007 0.000 1.145 101 M CB 0.787 33.385 32.600 -0.004 0.000 1.473 101 M HN 0.233 8.529 8.290 0.009 0.000 0.462 102 V N -4.125 115.802 119.914 0.021 0.000 2.656 102 V HA 0.378 4.516 4.120 0.030 0.000 0.307 102 V C -1.671 174.445 176.094 0.036 0.000 1.051 102 V CA -2.061 60.259 62.300 0.034 0.000 0.893 102 V CB 4.131 35.983 31.823 0.048 0.000 0.999 102 V HN 0.774 8.869 8.190 0.016 0.105 0.426 103 D N 6.276 126.698 120.400 0.035 0.000 2.631 103 D HA 0.003 4.785 4.640 0.036 -0.121 0.227 103 D C -0.888 175.448 176.300 0.060 0.000 1.146 103 D CA -0.780 53.244 54.000 0.040 0.000 1.009 103 D CB -0.624 40.191 40.800 0.025 0.000 1.057 103 D HN 0.424 8.813 8.370 0.031 0.000 0.509 104 D N 1.174 121.633 120.400 0.099 0.000 2.304 104 D HA 0.078 4.753 4.640 0.059 0.000 0.250 104 D C -0.559 175.790 176.300 0.082 0.000 1.107 104 D CA -0.033 54.022 54.000 0.091 0.000 0.885 104 D CB 1.806 42.672 40.800 0.110 0.000 1.192 104 D HN -0.327 8.084 8.370 0.127 0.035 0.436 105 S N 2.637 118.360 115.700 0.039 0.000 3.050 105 S HA 0.173 4.656 4.470 0.021 0.000 0.261 105 S C -0.062 174.540 174.600 0.003 0.000 1.057 105 S CA 0.818 59.032 58.200 0.023 0.000 1.012 105 S CB 2.386 65.603 63.200 0.027 0.000 0.919 105 S HN 0.479 9.075 8.310 0.030 -0.268 0.429 106 K N 0.989 121.391 120.400 0.004 0.000 2.066 106 K HA 0.379 4.697 4.320 -0.004 0.000 0.261 106 K C -1.120 175.481 176.600 0.002 0.000 0.992 106 K CA -0.640 55.647 56.287 -0.001 0.000 1.309 106 K CB 1.388 33.886 32.500 -0.004 0.000 2.459 106 K HN -0.012 8.679 8.250 0.010 -0.435 0.942 107 T N -4.136 110.420 114.554 0.003 0.000 2.640 107 T HA -0.070 4.295 4.350 0.024 0.000 0.316 107 T C 1.547 176.270 174.700 0.039 0.000 1.036 107 T CA -0.265 61.847 62.100 0.021 0.000 1.009 107 T CB 0.620 69.500 68.868 0.020 0.000 1.017 107 T HN -0.361 7.877 8.240 -0.004 0.000 0.530 108 V N 0.597 120.564 119.914 0.089 0.000 2.469 108 V HA -0.462 3.706 4.120 0.080 0.000 0.251 108 V C 1.719 177.899 176.094 0.143 0.000 1.064 108 V CA 4.372 66.753 62.300 0.134 0.000 1.066 108 V CB -0.443 31.484 31.823 0.174 0.000 0.667 108 V HN 0.276 8.523 8.190 0.095 0.000 0.461 109 T N 1.622 116.210 114.554 0.057 0.000 2.622 109 T HA -0.455 3.615 4.350 -0.467 0.000 0.266 109 T C 1.372 176.005 174.700 -0.113 0.000 1.047 109 T CA 4.920 66.874 62.100 -0.243 0.000 1.159 109 T CB -0.355 68.303 68.868 -0.350 0.000 0.863 109 T HN 0.033 8.311 8.240 0.091 0.017 0.422 110 D N 1.373 121.740 120.400 -0.056 0.000 2.133 110 D HA -0.304 4.316 4.640 -0.033 0.000 0.195 110 D C 1.639 177.940 176.300 0.001 0.000 0.997 110 D CA 3.135 57.121 54.000 -0.024 0.000 0.840 110 D CB 0.117 40.911 40.800 -0.010 0.000 0.947 110 D HN -0.655 7.615 8.370 -0.046 0.072 0.452 111 M N -0.488 119.122 119.600 0.017 0.000 2.077 111 M HA -0.346 4.156 4.480 0.037 0.000 0.261 111 M C 1.696 178.022 176.300 0.042 0.000 1.070 111 M CA 4.018 59.339 55.300 0.035 0.000 1.125 111 M CB 0.326 32.951 32.600 0.043 0.000 1.339 111 M HN -0.568 7.725 8.290 0.018 0.008 0.409 112 L N -1.374 119.876 121.223 0.046 0.000 2.156 112 L HA -0.234 4.160 4.340 0.091 0.000 0.208 112 L C 2.598 179.519 176.870 0.086 0.000 1.095 112 L CA 2.747 57.632 54.840 0.075 0.000 0.770 112 L CB -0.891 41.222 42.059 0.090 0.000 0.914 112 L HN 0.431 8.575 8.230 0.041 0.111 0.439 113 M N -2.954 116.662 119.600 0.027 0.000 2.229 113 M HA -0.206 4.347 4.480 0.123 0.000 0.264 113 M C 1.846 178.181 176.300 0.058 0.000 1.063 113 M CA 3.962 59.292 55.300 0.051 0.000 1.114 113 M CB -0.550 32.047 32.600 -0.005 0.000 1.387 113 M HN 0.364 8.644 8.290 -0.017 0.000 0.420 114 T N 3.563 118.143 114.554 0.042 0.000 2.701 114 T HA -0.382 3.987 4.350 0.032 0.000 0.263 114 T C 2.046 176.775 174.700 0.049 0.000 1.040 114 T CA 4.233 66.356 62.100 0.039 0.000 1.147 114 T CB -0.339 68.549 68.868 0.032 0.000 0.865 114 T HN -0.847 7.401 8.240 0.033 0.012 0.426 115 I N 1.870 122.476 120.570 0.061 0.000 2.151 115 I HA -0.550 3.650 4.170 0.050 0.000 0.243 115 I C 2.027 178.189 176.117 0.074 0.000 1.080 115 I CA 4.051 65.391 61.300 0.065 0.000 1.339 115 I CB -0.251 37.796 38.000 0.077 0.000 1.039 115 I HN -0.598 7.649 8.210 0.061 0.000 0.409 116 C N -1.923 117.441 119.300 0.106 0.000 2.435 116 C HA -0.367 4.144 4.460 0.085 0.000 0.279 116 C C 1.737 176.759 174.990 0.054 0.000 1.321 116 C CA 4.616 63.693 59.018 0.099 0.000 1.752 116 C CB -1.275 26.567 27.740 0.169 0.000 1.959 116 C HN 0.330 8.531 8.230 0.129 0.106 0.500 117 A N -0.634 122.216 122.820 0.050 0.000 2.014 117 A HA -0.141 4.193 4.320 0.023 0.000 0.218 117 A C 1.276 178.875 177.584 0.024 0.000 1.163 117 A CA 2.521 54.576 52.037 0.030 0.000 0.652 117 A CB -0.700 18.317 19.000 0.027 0.000 0.808 117 A HN -0.199 7.878 8.150 0.062 0.109 0.449 118 R N -3.258 117.259 120.500 0.030 0.000 2.189 118 R HA -0.165 4.187 4.340 0.019 0.000 0.218 118 R C 1.007 177.321 176.300 0.022 0.000 1.074 118 R CA 1.396 57.510 56.100 0.024 0.000 0.991 118 R CB -0.072 30.244 30.300 0.026 0.000 0.883 118 R HN -0.214 7.931 8.270 0.038 0.148 0.457 119 I N -8.474 112.112 120.570 0.026 0.000 4.154 119 I HA 0.430 4.612 4.170 0.020 0.000 0.334 119 I C 0.085 176.211 176.117 0.015 0.000 1.371 119 I CA -0.565 60.749 61.300 0.023 0.000 1.110 119 I CB 0.674 38.693 38.000 0.032 0.000 1.085 119 I HN -0.842 7.220 8.210 0.031 0.167 0.398 120 G N 1.212 110.018 108.800 0.010 0.000 2.212 120 G HA2 -0.382 3.577 3.960 -0.001 0.000 0.255 120 G HA3 -0.382 3.578 3.960 0.001 0.000 0.255 120 G C -0.886 174.003 174.900 -0.018 0.000 1.062 120 G CA 0.384 45.483 45.100 -0.001 0.000 0.815 120 G HN -0.419 7.764 8.290 0.014 0.115 0.497 121 I N 0.041 120.595 120.570 -0.027 0.000 2.406 121 I HA 0.208 4.314 4.170 -0.107 0.000 0.290 121 I C -1.173 174.888 176.117 -0.092 0.000 0.999 121 I CA -0.675 60.573 61.300 -0.087 0.000 1.124 121 I CB 2.140 40.078 38.000 -0.105 0.000 1.289 121 I HN 0.129 8.223 8.210 -0.005 0.113 0.441 122 T N 7.395 121.872 114.554 -0.129 0.000 3.504 122 T HA 0.248 4.580 4.350 -0.030 0.000 0.286 122 T C -1.731 172.898 174.700 -0.118 0.000 1.530 122 T CA -0.353 61.700 62.100 -0.078 0.000 1.652 122 T CB -0.344 68.500 68.868 -0.040 0.000 0.895 122 T HN 0.198 8.341 8.240 -0.162 0.000 0.674 123 N N 1.775 120.354 118.700 -0.201 0.000 3.993 123 N HA -0.006 4.708 4.740 -0.044 0.000 0.204 123 N C -2.296 173.023 175.510 -0.318 0.000 1.071 123 N CA -0.169 52.763 53.050 -0.196 0.000 1.076 123 N CB 1.642 39.985 38.487 -0.241 0.000 1.644 123 N HN -0.167 8.058 8.380 -0.258 0.000 0.650 124 H N -0.243 118.856 119.070 0.049 0.000 3.297 124 H HA 0.164 4.966 4.556 0.295 -0.068 0.254 124 H C -0.920 174.562 175.328 0.256 0.000 1.192 124 H CA -0.160 56.013 56.048 0.207 0.000 1.058 124 H CB 1.412 31.309 29.762 0.226 0.000 1.777 124 H HN 0.379 8.746 8.280 0.145 0.000 0.696 125 D N 0.619 121.181 120.400 0.269 0.000 2.097 125 D HA -0.142 4.622 4.640 0.208 0.000 0.195 125 D C 0.884 177.378 176.300 0.322 0.000 0.989 125 D CA 1.946 56.080 54.000 0.224 0.000 0.827 125 D CB 0.567 41.436 40.800 0.115 0.000 0.966 125 D HN -0.040 8.441 8.370 0.184 0.000 0.456 126 E N -3.311 117.151 120.200 0.435 0.000 2.340 126 E HA -0.056 4.752 4.350 0.765 0.000 0.194 126 E C -0.821 176.097 176.600 0.530 0.000 0.996 126 E CA 0.810 57.563 56.400 0.589 0.000 0.869 126 E CB 0.635 30.674 29.700 0.565 0.000 0.835 126 E HN -0.014 8.589 8.360 0.405 0.000 0.493 127 Y N -1.998 118.454 120.300 0.253 0.000 2.404 127 Y HA 0.306 5.134 4.550 0.250 -0.128 0.344 127 Y C -0.691 175.449 175.900 0.401 0.000 0.970 127 Y CA -1.172 57.065 58.100 0.229 0.000 1.180 127 Y CB -0.306 38.139 38.460 -0.025 0.000 1.138 127 Y HN -0.700 7.902 8.280 0.665 0.077 0.510 128 S N 1.070 117.082 115.700 0.519 0.000 2.759 128 S HA 0.371 5.118 4.470 0.461 0.000 0.310 128 S C -1.974 172.939 174.600 0.523 0.000 1.123 128 S CA -2.057 56.447 58.200 0.507 0.000 0.959 128 S CB 2.308 65.713 63.200 0.342 0.000 1.172 128 S HN -0.185 8.412 8.310 0.477 0.000 0.539 129 L N -0.549 120.886 121.223 0.354 0.000 2.334 129 L HA 0.688 5.215 4.340 0.116 -0.118 0.273 129 L C -0.933 175.954 176.870 0.027 0.000 1.013 129 L CA -1.899 53.031 54.840 0.151 0.000 0.816 129 L CB 1.798 43.907 42.059 0.082 0.000 1.278 129 L HN -0.324 8.075 8.230 0.281 0.000 0.431 130 V N -3.143 116.631 119.914 -0.233 0.000 2.735 130 V HA 0.561 4.631 4.120 -0.254 -0.102 0.310 130 V C -1.738 174.228 176.094 -0.214 0.000 1.061 130 V CA -3.031 59.042 62.300 -0.379 0.000 0.913 130 V CB 3.625 34.937 31.823 -0.851 0.000 1.005 130 V HN 1.111 9.070 8.190 -0.207 0.106 0.428 131 R N 5.081 125.487 120.500 -0.157 0.000 2.288 131 R HA 0.019 4.301 4.340 -0.097 0.000 0.330 131 R C -0.724 175.498 176.300 -0.130 0.000 1.069 131 R CA -0.016 56.017 56.100 -0.113 0.000 0.941 131 R CB -0.007 30.248 30.300 -0.075 0.000 0.998 131 R HN 0.944 9.003 8.270 -0.140 0.126 0.452 132 E N 7.343 127.474 120.200 -0.115 0.000 1.996 132 E HA 0.220 4.726 4.350 -0.131 -0.235 0.280 132 E C -1.318 175.243 176.600 -0.065 0.000 1.092 132 E CA -0.996 55.341 56.400 -0.106 0.000 0.862 132 E CB 1.020 30.661 29.700 -0.097 0.000 1.066 132 E HN 0.556 8.762 8.360 -0.101 0.094 0.396 133 L N 6.935 128.123 121.223 -0.059 0.000 2.410 133 L HA -0.039 4.293 4.340 -0.012 0.000 0.273 133 L C 0.223 177.079 176.870 -0.024 0.000 1.144 133 L CA 0.520 55.343 54.840 -0.029 0.000 0.863 133 L CB 0.339 42.382 42.059 -0.026 0.000 1.140 133 L HN -0.441 7.743 8.230 -0.077 0.000 0.463 134 M N 3.330 122.928 119.600 -0.003 0.000 2.228 134 M HA -0.016 4.455 4.480 -0.015 0.000 0.351 134 M C 0.086 176.380 176.300 -0.010 0.000 1.233 134 M CA 0.667 55.964 55.300 -0.005 0.000 1.129 134 M CB 0.528 33.134 32.600 0.011 0.000 1.604 134 M HN 0.288 8.587 8.290 0.015 0.000 0.457 135 E N 4.471 124.661 120.200 -0.016 0.000 1.881 135 E HA -0.135 4.203 4.350 -0.020 0.000 0.264 135 E C -0.638 175.954 176.600 -0.014 0.000 1.243 135 E CA 0.764 57.153 56.400 -0.018 0.000 0.965 135 E CB -1.687 28.000 29.700 -0.022 0.000 1.055 135 E HN 0.528 8.877 8.360 -0.018 0.000 0.412 136 E N 3.542 123.734 120.200 -0.013 0.000 2.276 136 E HA 0.000 4.343 4.350 -0.012 0.000 0.193 136 E C 0.133 176.725 176.600 -0.013 0.000 0.983 136 E CA 0.522 56.914 56.400 -0.012 0.000 0.861 136 E CB 0.780 30.473 29.700 -0.012 0.000 0.817 136 E HN -0.025 8.327 8.360 -0.012 0.000 0.485 137 K N 0.569 120.960 120.400 -0.014 0.000 2.575 137 K HA 0.122 4.434 4.320 -0.013 0.000 0.236 137 K C -1.296 175.295 176.600 -0.016 0.000 0.976 137 K CA -0.414 55.865 56.287 -0.014 0.000 0.985 137 K CB 0.348 32.840 32.500 -0.013 0.000 1.198 137 K HN -0.242 7.999 8.250 -0.015 0.000 0.464 138 K N 5.096 125.487 120.400 -0.015 0.000 2.235 138 K HA 0.222 4.531 4.320 -0.018 0.000 0.266 138 K C -0.214 176.378 176.600 -0.014 0.000 0.980 138 K CA -0.481 55.797 56.287 -0.016 0.000 0.849 138 K CB 0.926 33.416 32.500 -0.016 0.000 1.098 138 K HN 0.136 8.378 8.250 -0.014 0.000 0.445 139 D N 3.232 123.623 120.400 -0.015 0.000 2.357 139 D HA -0.042 4.591 4.640 -0.012 0.000 0.242 139 D C -0.322 175.971 176.300 -0.012 0.000 1.153 139 D CA 0.266 54.258 54.000 -0.013 0.000 0.918 139 D CB 0.949 41.741 40.800 -0.014 0.000 1.181 139 D HN 0.159 8.519 8.370 -0.017 0.000 0.435 140 E N 0.036 120.229 120.200 -0.011 0.000 2.869 140 E HA 0.132 4.476 4.350 -0.010 0.000 0.207 140 E C -0.676 175.919 176.600 -0.009 0.000 0.986 140 E CA -0.495 55.899 56.400 -0.009 0.000 1.131 140 E CB 0.304 29.999 29.700 -0.008 0.000 1.098 140 E HN 0.220 8.574 8.360 -0.010 0.000 0.459 141 G N 0.947 109.741 108.800 -0.009 0.000 2.670 141 G HA2 -0.087 3.869 3.960 -0.008 0.000 0.215 141 G HA3 -0.087 3.868 3.960 -0.009 0.000 0.215 141 G C 0.311 175.207 174.900 -0.008 0.000 1.359 141 G CA 0.741 45.836 45.100 -0.009 0.000 0.897 141 G HN 0.203 8.781 8.290 -0.011 -0.295 0.552 142 T N -0.623 113.926 114.554 -0.008 0.000 4.712 142 T HA -0.432 3.913 4.350 -0.008 0.000 0.304 142 T C -0.875 173.821 174.700 -0.006 0.000 1.250 142 T CA 0.942 63.038 62.100 -0.007 0.000 2.371 142 T CB -0.796 68.068 68.868 -0.007 0.000 1.829 142 T HN 0.263 8.497 8.240 -0.010 0.000 0.953 143 G N -2.733 106.063 108.800 -0.007 0.000 2.351 143 G HA2 -0.111 3.846 3.960 -0.006 0.000 0.353 143 G HA3 -0.111 3.846 3.960 -0.005 0.000 0.353 143 G C -1.441 173.455 174.900 -0.006 0.000 1.358 143 G CA -0.375 44.721 45.100 -0.006 0.000 0.995 143 G HN -0.557 7.692 8.290 -0.008 0.037 0.611 144 T N 0.159 114.710 114.554 -0.005 0.000 3.014 144 T HA -0.043 4.304 4.350 -0.005 0.000 0.263 144 T C 1.954 176.651 174.700 -0.004 0.000 1.078 144 T CA 0.504 62.601 62.100 -0.005 0.000 1.135 144 T CB 0.311 69.176 68.868 -0.004 0.000 0.895 144 T HN 0.334 8.572 8.240 -0.004 0.000 0.480 145 L N -3.595 117.626 121.223 -0.004 0.000 3.153 145 L HA -0.586 3.752 4.340 -0.003 0.000 0.369 145 L C 0.603 177.471 176.870 -0.003 0.000 3.110 145 L CA 2.382 57.219 54.840 -0.004 0.000 2.423 145 L CB -2.312 39.745 42.059 -0.004 0.000 2.474 145 L HN 0.087 8.314 8.230 -0.004 0.000 0.797 146 R N -0.120 120.378 120.500 -0.003 0.000 2.057 146 R HA -0.160 4.178 4.340 -0.003 0.000 0.229 146 R C 0.200 176.498 176.300 -0.003 0.000 1.136 146 R CA 1.154 57.252 56.100 -0.003 0.000 0.952 146 R CB 0.249 30.547 30.300 -0.003 0.000 0.848 146 R HN -0.047 8.134 8.270 -0.004 0.087 0.430 147 K N 0.787 121.186 120.400 -0.003 0.000 2.316 147 K HA -0.090 4.228 4.320 -0.002 0.000 0.289 147 K C -1.113 175.486 176.600 -0.002 0.000 1.070 147 K CA 0.120 56.406 56.287 -0.002 0.000 0.928 147 K CB -0.330 32.169 32.500 -0.003 0.000 1.039 147 K HN -0.037 8.211 8.250 -0.003 0.000 0.480 148 D N 2.737 123.136 120.400 -0.002 0.000 4.847 148 D HA -0.238 4.401 4.640 -0.002 0.000 0.237 148 D C 0.297 176.596 176.300 -0.002 0.000 1.164 148 D CA 0.905 54.904 54.000 -0.002 0.000 1.196 148 D CB 0.343 41.142 40.800 -0.002 0.000 0.717 148 D HN 0.335 8.704 8.370 -0.002 0.000 0.348 149 K N -0.435 119.964 120.400 -0.002 0.000 2.044 149 K HA -0.388 4.057 4.320 -0.002 -0.127 0.210 149 K C 0.788 177.387 176.600 -0.002 0.000 1.049 149 K CA 2.217 58.503 56.287 -0.002 0.000 0.927 149 K CB 0.561 33.060 32.500 -0.002 0.000 0.713 149 K HN 0.231 8.480 8.250 -0.002 0.000 0.443 150 T N -5.839 108.714 114.554 -0.002 0.000 2.618 150 T HA 0.027 4.376 4.350 -0.002 0.000 0.293 150 T C -1.430 173.269 174.700 -0.001 0.000 1.093 150 T CA -0.908 61.191 62.100 -0.002 0.000 1.061 150 T CB 1.455 70.323 68.868 -0.001 0.000 1.498 150 T HN -0.581 7.658 8.240 -0.001 0.000 0.494 151 L N 1.576 122.798 121.223 -0.001 0.000 2.292 151 L HA 0.208 4.548 4.340 -0.001 0.000 0.284 151 L C -0.365 176.505 176.870 -0.000 0.000 1.065 151 L CA -0.506 54.333 54.840 -0.001 0.000 0.806 151 L CB 0.676 42.735 42.059 -0.001 0.000 1.175 151 L HN 0.181 8.410 8.230 -0.001 0.000 0.431 152 L N 6.733 127.955 121.223 -0.000 0.000 2.422 152 L HA 0.070 4.410 4.340 -0.000 0.000 0.256 152 L C -0.715 176.155 176.870 0.000 0.000 1.202 152 L CA 0.403 55.242 54.840 -0.000 0.000 1.119 152 L CB -1.400 40.659 42.059 -0.000 0.000 1.383 152 L HN 0.503 8.733 8.230 -0.000 0.000 0.411 153 R N 3.111 123.611 120.500 0.000 0.000 2.721 153 R HA -0.055 4.285 4.340 0.001 0.000 0.030 153 R C -1.602 174.698 176.300 0.001 0.000 0.818 153 R CA 0.805 56.905 56.100 0.001 0.000 3.192 153 R CB 0.573 30.874 30.300 0.001 0.000 0.977 153 R HN -0.314 7.912 8.270 0.000 0.045 0.543 154 D N -2.235 118.166 120.400 0.001 0.000 2.733 154 D HA -0.201 4.439 4.640 0.001 0.000 0.232 154 D C -0.791 175.510 176.300 0.001 0.000 1.161 154 D CA 1.172 55.172 54.000 0.001 0.000 0.653 154 D CB -1.626 39.175 40.800 0.000 0.000 1.052 154 D HN 0.087 8.458 8.370 0.000 0.000 0.424 155 E N -3.739 116.461 120.200 0.001 0.000 2.371 155 E HA -0.200 4.150 4.350 0.001 0.000 0.194 155 E C -0.050 176.551 176.600 0.002 0.000 1.012 155 E CA 1.058 57.459 56.400 0.001 0.000 0.860 155 E CB 0.341 30.041 29.700 0.002 0.000 0.811 155 E HN -0.049 8.291 8.360 0.001 0.021 0.502 156 K N -1.497 118.904 120.400 0.002 0.000 2.589 156 K HA 0.091 4.412 4.320 0.002 0.000 0.253 156 K C -1.579 175.022 176.600 0.002 0.000 0.974 156 K CA 0.086 56.375 56.287 0.002 0.000 0.835 156 K CB 1.094 33.596 32.500 0.003 0.000 1.272 156 K HN -0.650 7.545 8.250 0.002 0.055 0.444 157 K N 6.543 126.944 120.400 0.002 0.000 2.250 157 K HA 0.173 4.493 4.320 0.001 0.000 0.285 157 K C 0.947 177.549 176.600 0.002 0.000 1.097 157 K CA -0.791 55.497 56.287 0.002 0.000 0.913 157 K CB -0.510 31.991 32.500 0.001 0.000 1.179 157 K HN 0.281 8.532 8.250 0.002 0.000 0.462 158 M N 2.729 122.330 119.600 0.003 0.000 2.229 158 M HA -0.052 4.430 4.480 0.005 0.000 0.264 158 M C 0.210 176.512 176.300 0.004 0.000 1.063 158 M CA 1.632 56.935 55.300 0.004 0.000 1.114 158 M CB 0.093 32.695 32.600 0.004 0.000 1.387 158 M HN 0.089 8.381 8.290 0.002 0.000 0.420 159 E N -0.883 119.319 120.200 0.002 0.000 2.518 159 E HA 0.215 4.566 4.350 0.003 0.000 0.240 159 E C -1.311 175.290 176.600 0.000 0.000 0.996 159 E CA -0.601 55.800 56.400 0.002 0.000 0.768 159 E CB 0.149 29.850 29.700 0.001 0.000 1.329 159 E HN -0.294 8.048 8.360 0.002 0.019 0.408 160 K N 3.518 123.918 120.400 0.001 0.000 2.262 160 K HA 0.072 4.392 4.320 -0.001 0.000 0.200 160 K C -0.937 175.662 176.600 -0.001 0.000 1.058 160 K CA 1.336 57.623 56.287 -0.000 0.000 0.974 160 K CB 0.668 33.168 32.500 0.000 0.000 0.910 160 K HN 0.319 8.570 8.250 0.002 0.000 0.484 161 L N -4.389 116.834 121.223 0.000 0.000 2.333 161 L HA 0.423 4.762 4.340 -0.001 0.000 0.263 161 L C -1.139 175.732 176.870 0.001 0.000 1.014 161 L CA -1.552 53.288 54.840 -0.000 0.000 0.820 161 L CB 1.665 43.724 42.059 -0.000 0.000 1.352 161 L HN -0.796 7.435 8.230 0.001 0.000 0.421 162 K N 1.800 122.200 120.400 0.001 0.000 2.300 162 K HA 0.131 4.454 4.320 0.006 0.000 0.264 162 K C -0.633 175.970 176.600 0.005 0.000 1.083 162 K CA -0.592 55.697 56.287 0.003 0.000 0.958 162 K CB -0.262 32.238 32.500 0.001 0.000 1.318 162 K HN 0.090 8.339 8.250 -0.001 0.000 0.448 163 Q N 3.347 123.152 119.800 0.008 0.000 2.288 163 Q HA 0.026 4.369 4.340 0.004 0.000 0.254 163 Q C 0.271 176.279 176.000 0.014 0.000 0.932 163 Q CA -0.386 55.421 55.803 0.008 0.000 0.902 163 Q CB 0.652 29.394 28.738 0.008 0.000 1.203 163 Q HN 0.295 8.570 8.270 0.009 0.000 0.415 164 K N 2.350 122.754 120.400 0.007 0.000 6.568 164 K HA -0.232 4.082 4.320 -0.009 0.000 0.743 164 K C -0.417 176.201 176.600 0.029 0.000 1.943 164 K CA 0.142 56.434 56.287 0.008 0.000 1.677 164 K CB 0.307 32.815 32.500 0.012 0.000 1.940 164 K HN 0.422 8.672 8.250 0.000 0.000 0.318 165 L N 5.101 126.331 121.223 0.012 0.000 2.650 165 L HA 0.030 4.381 4.340 0.017 0.000 0.239 165 L C -1.142 175.761 176.870 0.054 0.000 1.412 165 L CA -0.452 54.398 54.840 0.016 0.000 1.219 165 L CB -2.058 39.994 42.059 -0.011 0.000 1.534 165 L HN 0.216 8.441 8.230 -0.008 0.000 0.430 166 H N 3.502 122.546 119.070 -0.044 0.000 2.955 166 H HA -0.092 4.426 4.556 -0.063 0.000 0.290 166 H C -0.807 174.497 175.328 -0.040 0.000 1.047 166 H CA -0.001 56.021 56.048 -0.044 0.000 1.484 166 H CB 0.402 30.149 29.762 -0.024 0.000 1.501 166 H HN -0.279 8.005 8.280 0.150 0.087 0.521 167 T N 6.302 120.880 114.554 0.040 0.000 2.971 167 T HA 0.199 4.428 4.350 -0.201 0.000 0.304 167 T C -1.734 172.925 174.700 -0.067 0.000 1.038 167 T CA -1.394 60.648 62.100 -0.097 0.000 1.007 167 T CB 1.680 70.507 68.868 -0.068 0.000 1.055 167 T HN -0.011 8.331 8.240 0.170 0.000 0.451 168 D N 3.895 124.224 120.400 -0.119 0.000 2.513 168 D HA 0.060 4.685 4.640 -0.025 0.000 0.222 168 D C -0.682 175.583 176.300 -0.058 0.000 1.210 168 D CA -0.258 53.715 54.000 -0.046 0.000 0.825 168 D CB 1.000 41.805 40.800 0.009 0.000 1.037 168 D HN 0.148 8.407 8.370 -0.184 0.000 0.506 169 D N 1.134 121.487 120.400 -0.079 0.000 2.149 169 D HA -0.139 4.470 4.640 -0.051 0.000 0.206 169 D C 1.277 177.534 176.300 -0.071 0.000 0.967 169 D CA 2.356 56.317 54.000 -0.066 0.000 0.848 169 D CB 1.152 41.913 40.800 -0.065 0.000 0.998 169 D HN -0.685 7.552 8.370 -0.094 0.077 0.474 170 E N -3.154 116.994 120.200 -0.088 0.000 2.347 170 E HA -0.126 4.176 4.350 -0.080 0.000 0.196 170 E C -0.237 176.274 176.600 -0.149 0.000 1.008 170 E CA 1.386 57.726 56.400 -0.100 0.000 0.852 170 E CB 0.100 29.742 29.700 -0.095 0.000 0.783 170 E HN -0.709 7.599 8.360 -0.088 0.000 0.505 171 L N -0.101 121.010 121.223 -0.187 0.000 2.363 171 L HA -0.031 4.067 4.340 -0.402 0.000 0.286 171 L C -0.945 175.767 176.870 -0.262 0.000 1.106 171 L CA 0.213 54.851 54.840 -0.336 0.000 0.859 171 L CB -0.713 41.090 42.059 -0.427 0.000 1.223 171 L HN -0.425 7.670 8.230 -0.146 0.047 0.446 172 N N 5.470 124.027 118.700 -0.238 0.000 2.936 172 N HA 0.194 4.918 4.740 -0.028 0.000 0.243 172 N C -0.747 174.722 175.510 -0.069 0.000 1.149 172 N CA -1.084 51.907 53.050 -0.099 0.000 0.914 172 N CB 0.927 39.381 38.487 -0.055 0.000 1.179 172 N HN -0.190 8.035 8.380 -0.257 0.000 0.502 173 W N 2.632 123.912 121.300 -0.035 0.000 2.314 173 W HA -0.220 4.574 4.660 -0.042 -0.159 0.339 173 W C 0.276 176.769 176.519 -0.045 0.000 1.293 173 W CA 1.296 58.616 57.345 -0.041 0.000 1.288 173 W CB 0.340 29.774 29.460 -0.044 0.000 1.186 173 W HN 0.259 8.537 8.180 0.164 0.000 0.566 174 L N -0.632 120.712 121.223 0.201 0.000 2.409 174 L HA 0.552 4.946 4.340 0.089 0.000 0.262 174 L C -2.411 174.472 176.870 0.023 0.000 0.992 174 L CA -2.233 52.658 54.840 0.085 0.000 0.817 174 L CB 2.149 44.223 42.059 0.024 0.000 1.350 174 L HN 0.693 8.934 8.230 0.215 0.118 0.411 175 D N 1.226 121.601 120.400 -0.041 0.000 2.627 175 D HA 0.400 4.866 4.640 -0.291 0.000 0.259 175 D C 0.069 176.236 176.300 -0.221 0.000 1.164 175 D CA -1.464 52.433 54.000 -0.171 0.000 1.087 175 D CB 3.194 43.960 40.800 -0.057 0.000 1.217 175 D HN -0.086 8.278 8.370 -0.009 0.000 0.630 176 H N -2.719 116.375 119.070 0.039 0.000 3.047 176 H HA -0.029 4.533 4.556 0.009 0.000 0.253 176 H C 1.562 176.899 175.328 0.016 0.000 1.587 176 H CA -0.043 56.014 56.048 0.015 0.000 1.652 176 H CB 1.201 30.963 29.762 -0.000 0.000 1.618 176 H HN -0.020 8.194 8.280 -0.109 0.000 0.956 177 G N -3.470 105.431 108.800 0.169 0.000 2.148 177 G HA2 -0.443 3.556 3.960 0.065 0.000 0.254 177 G HA3 -0.443 3.562 3.960 0.075 0.000 0.254 177 G C -1.503 173.432 174.900 0.058 0.000 0.981 177 G CA 0.448 45.598 45.100 0.084 0.000 0.670 177 G HN 0.589 8.997 8.290 0.197 0.000 0.528 178 R N -6.033 114.506 120.500 0.066 0.000 2.855 178 R HA 0.253 4.611 4.340 0.030 0.000 0.274 178 R C -2.665 173.661 176.300 0.044 0.000 0.997 178 R CA -1.565 54.560 56.100 0.041 0.000 0.856 178 R CB 0.692 31.011 30.300 0.031 0.000 1.378 178 R HN -0.418 7.863 8.270 0.097 0.047 0.462 179 T N -4.884 109.685 114.554 0.024 0.000 2.905 179 T HA 0.362 4.812 4.350 0.030 -0.082 0.283 179 T C 0.934 175.638 174.700 0.008 0.000 1.031 179 T CA -2.528 59.582 62.100 0.017 0.000 1.002 179 T CB 2.393 71.262 68.868 0.001 0.000 1.200 179 T HN -0.162 8.088 8.240 0.016 0.000 0.560 180 L N 0.705 121.928 121.223 -0.001 0.000 2.217 180 L HA -0.279 4.054 4.340 -0.011 0.000 0.211 180 L C 1.755 178.613 176.870 -0.020 0.000 1.107 180 L CA 3.033 57.865 54.840 -0.013 0.000 0.783 180 L CB -0.532 41.514 42.059 -0.021 0.000 0.919 180 L HN 0.558 8.788 8.230 0.000 0.000 0.442 181 R N -1.474 119.013 120.500 -0.022 0.000 2.083 181 R HA -0.449 3.875 4.340 -0.027 0.000 0.237 181 R C 1.803 178.095 176.300 -0.014 0.000 1.137 181 R CA 3.521 59.606 56.100 -0.024 0.000 0.951 181 R CB -0.451 29.831 30.300 -0.031 0.000 0.851 181 R HN -0.008 8.230 8.270 -0.022 0.019 0.434 182 E N -2.111 118.084 120.200 -0.008 0.000 2.077 182 E HA -0.233 4.116 4.350 -0.003 0.000 0.193 182 E C 2.229 178.828 176.600 -0.001 0.000 0.989 182 E CA 2.194 58.593 56.400 -0.002 0.000 0.800 182 E CB -0.607 29.095 29.700 0.003 0.000 0.746 182 E HN -0.574 7.781 8.360 -0.007 0.000 0.452 183 Q N -4.306 115.493 119.800 -0.003 0.000 2.444 183 Q HA 0.029 4.370 4.340 0.002 0.000 0.206 183 Q C 0.460 176.456 176.000 -0.007 0.000 0.948 183 Q CA -0.367 55.434 55.803 -0.002 0.000 0.946 183 Q CB 0.508 29.245 28.738 -0.002 0.000 1.027 183 Q HN -0.686 7.472 8.270 -0.004 0.109 0.513 184 G N -0.723 108.071 108.800 -0.010 0.000 2.176 184 G HA2 -0.328 3.627 3.960 -0.009 0.000 0.252 184 G HA3 -0.328 3.630 3.960 -0.003 0.000 0.252 184 G C -0.598 174.288 174.900 -0.023 0.000 1.024 184 G CA 0.345 45.439 45.100 -0.010 0.000 0.755 184 G HN -0.420 7.677 8.290 -0.011 0.187 0.507 185 V N 0.106 119.996 119.914 -0.041 0.000 2.370 185 V HA 0.237 4.303 4.120 -0.090 0.000 0.283 185 V C -1.146 174.879 176.094 -0.116 0.000 1.023 185 V CA -1.365 60.886 62.300 -0.082 0.000 0.857 185 V CB 1.504 33.282 31.823 -0.075 0.000 0.985 185 V HN -0.439 7.708 8.190 -0.034 0.022 0.443 186 E N 6.747 126.820 120.200 -0.212 0.000 2.322 186 E HA 0.136 4.427 4.350 -0.099 0.000 0.257 186 E C 1.007 177.441 176.600 -0.276 0.000 1.155 186 E CA -2.004 54.266 56.400 -0.217 0.000 0.936 186 E CB 1.139 30.734 29.700 -0.176 0.000 1.130 186 E HN 0.154 8.351 8.360 -0.273 0.000 0.465 187 E N 0.067 120.192 120.200 -0.124 0.000 2.418 187 E HA -0.329 3.984 4.350 -0.062 0.000 0.197 187 E C 0.549 177.120 176.600 -0.049 0.000 1.026 187 E CA 2.508 58.874 56.400 -0.057 0.000 0.862 187 E CB -0.256 29.460 29.700 0.027 0.000 0.799 187 E HN 0.562 8.894 8.360 -0.046 0.000 0.518 188 H N -5.337 113.739 119.070 0.010 0.000 2.524 188 H HA -0.079 4.479 4.556 0.005 0.000 0.282 188 H C 0.028 175.355 175.328 -0.003 0.000 1.016 188 H CA 0.464 56.515 56.048 0.004 0.000 1.270 188 H CB -0.205 29.558 29.762 0.002 0.000 1.394 188 H HN -0.199 7.912 8.280 -0.200 0.049 0.568 189 E N 1.582 121.616 120.200 -0.277 0.000 2.290 189 E HA 0.025 4.361 4.350 -0.024 0.000 0.277 189 E C -0.319 176.242 176.600 -0.064 0.000 1.035 189 E CA -0.360 55.956 56.400 -0.140 0.000 0.873 189 E CB -0.020 29.552 29.700 -0.213 0.000 1.029 189 E HN -0.769 7.241 8.360 -0.502 0.049 0.419 190 T N 5.474 120.011 114.554 -0.029 0.000 2.870 190 T HA -0.091 4.379 4.350 -0.018 -0.131 0.300 190 T C -0.930 173.741 174.700 -0.047 0.000 0.989 190 T CA 1.721 63.804 62.100 -0.028 0.000 1.139 190 T CB 0.647 69.502 68.868 -0.023 0.000 0.920 190 T HN 0.066 8.298 8.240 -0.013 0.000 0.537 191 L N 7.247 128.448 121.223 -0.036 0.000 2.264 191 L HA 0.539 4.967 4.340 -0.057 -0.122 0.289 191 L C -2.658 174.186 176.870 -0.043 0.000 1.044 191 L CA -1.225 53.592 54.840 -0.038 0.000 0.807 191 L CB 1.626 43.679 42.059 -0.010 0.000 1.192 191 L HN 1.117 9.223 8.230 -0.022 0.111 0.425 192 L N 7.511 128.684 121.223 -0.084 0.000 2.296 192 L HA 0.442 4.742 4.340 -0.068 0.000 0.286 192 L C -2.717 174.096 176.870 -0.095 0.000 1.023 192 L CA -2.023 52.755 54.840 -0.104 0.000 0.812 192 L CB 2.716 44.670 42.059 -0.174 0.000 1.223 192 L HN 0.909 9.074 8.230 -0.110 0.000 0.421 193 L N 7.208 128.413 121.223 -0.030 0.000 2.307 193 L HA 0.527 4.903 4.340 0.060 0.000 0.282 193 L C -2.296 174.554 176.870 -0.033 0.000 1.051 193 L CA -1.083 53.779 54.840 0.037 0.000 0.804 193 L CB 2.395 44.538 42.059 0.140 0.000 1.197 193 L HN -0.107 8.112 8.230 -0.019 0.000 0.431 194 R N 5.076 125.554 120.500 -0.037 0.000 2.604 194 R HA 0.345 4.578 4.340 -0.179 0.000 0.261 194 R C -2.651 173.620 176.300 -0.048 0.000 1.080 194 R CA -0.555 55.475 56.100 -0.116 0.000 0.917 194 R CB 4.037 34.227 30.300 -0.183 0.000 1.252 194 R HN 0.267 8.576 8.270 0.065 0.000 0.456 195 R N 4.965 125.268 120.500 -0.328 0.000 2.220 195 R HA 0.398 4.810 4.340 -0.157 -0.166 0.340 195 R C -0.087 176.244 176.300 0.052 0.000 1.076 195 R CA -0.438 55.489 56.100 -0.288 0.000 0.920 195 R CB 0.131 30.021 30.300 -0.685 0.000 1.062 195 R HN 0.516 8.536 8.270 -0.418 0.000 0.469 196 K N 2.919 123.352 120.400 0.056 0.000 2.211 196 K HA -0.169 4.232 4.320 0.135 0.000 0.203 196 K C 0.035 176.443 176.600 -0.319 0.000 1.050 196 K CA 1.962 58.151 56.287 -0.163 0.000 0.945 196 K CB 0.124 32.142 32.500 -0.804 0.000 0.732 196 K HN 0.347 8.637 8.250 0.067 0.000 0.451 197 F N 1.409 121.346 119.950 -0.021 0.000 2.351 197 F HA 0.050 4.308 4.527 -0.449 0.000 0.362 197 F C -1.657 173.962 175.800 -0.303 0.000 1.131 197 F CA -1.149 56.716 58.000 -0.224 0.000 1.187 197 F CB -0.980 38.036 39.000 0.028 0.000 1.434 197 F HN -0.835 7.428 8.300 -0.036 0.015 0.553 198 F N 2.039 121.720 119.950 -0.448 0.000 2.375 198 F HA 0.406 4.843 4.527 -0.150 0.000 0.361 198 F C -1.796 173.729 175.800 -0.459 0.000 1.117 198 F CA -1.653 56.153 58.000 -0.323 0.000 1.037 198 F CB 0.506 39.384 39.000 -0.204 0.000 1.192 198 F HN -0.465 7.295 8.300 -0.900 0.000 0.452 199 Y N 6.907 127.270 120.300 0.105 0.000 2.712 199 Y HA 0.147 4.674 4.550 -0.038 0.000 0.328 199 Y C -0.581 175.371 175.900 0.087 0.000 0.995 199 Y CA -0.691 57.431 58.100 0.037 0.000 1.283 199 Y CB -0.379 38.093 38.460 0.021 0.000 1.092 199 Y HN 0.303 8.709 8.280 0.210 0.000 0.519 200 S N 0.579 116.395 115.700 0.193 0.000 3.093 200 S HA 0.098 4.655 4.470 0.145 0.000 0.251 200 S C -0.758 173.913 174.600 0.119 0.000 0.905 200 S CA -0.008 58.285 58.200 0.154 0.000 1.124 200 S CB 1.984 65.274 63.200 0.150 0.000 1.124 200 S HN 0.322 8.728 8.310 0.159 0.000 0.574 201 D N 2.252 122.718 120.400 0.110 0.000 2.608 201 D HA 0.027 4.714 4.640 0.079 0.000 0.224 201 D C -1.000 175.338 176.300 0.063 0.000 1.123 201 D CA 0.147 54.195 54.000 0.079 0.000 1.030 201 D CB -0.915 39.922 40.800 0.061 0.000 1.093 201 D HN 0.025 8.469 8.370 0.124 0.000 0.497 202 Q N 0.000 119.835 119.800 0.058 0.000 2.315 202 Q HA 0.000 4.363 4.340 0.038 0.000 0.214 202 Q CA 0.000 55.830 55.803 0.045 0.000 1.022 202 Q CB 0.000 28.765 28.738 0.044 0.000 1.108 202 Q HN 0.000 8.259 8.270 0.064 0.050 0.481