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 1r4t_1_A DATA FIRST_RESID 111 DATA SEQUENCE PMTLKGLDKA SELATLTPEG LAREHSRLAS GDGALRSLST ALAGIRAGSQ DATA SEQUENCE VEESRIQAGR LLERSIGGIA LQQWGTTGGA ASQLVLDASP ELRREITDQL DATA SEQUENCE HQVMSEVALL RQAVESEVSR VS 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 111 P HA 0.000 4.420 4.420 -0.001 0.000 0.216 111 P C 0.000 177.300 177.300 0.000 0.000 1.155 111 P CA 0.000 63.100 63.100 -0.000 0.000 0.800 111 P CB 0.000 31.700 31.700 -0.000 0.000 0.726 112 M N -0.759 118.842 119.600 0.001 0.000 2.149 112 M HA -0.316 4.165 4.480 0.001 0.000 0.261 112 M C 1.337 177.638 176.300 0.002 0.000 1.064 112 M CA 3.868 59.168 55.300 0.001 0.000 1.102 112 M CB -0.443 32.158 32.600 0.001 0.000 1.369 112 M HN -0.055 8.236 8.290 0.001 0.000 0.408 113 T N 0.853 115.408 114.554 0.002 0.000 2.788 113 T HA -0.282 4.070 4.350 0.004 0.000 0.268 113 T C 1.723 176.424 174.700 0.002 0.000 1.044 113 T CA 3.653 65.754 62.100 0.003 0.000 1.139 113 T CB -0.273 68.597 68.868 0.003 0.000 0.867 113 T HN -0.001 8.229 8.240 0.002 0.011 0.454 114 L N 0.391 121.614 121.223 0.000 0.000 2.083 114 L HA -0.328 4.011 4.340 -0.002 0.000 0.209 114 L C 1.549 178.417 176.870 -0.002 0.000 1.083 114 L CA 3.630 58.469 54.840 -0.002 0.000 0.752 114 L CB -0.263 41.794 42.059 -0.002 0.000 0.899 114 L HN -0.648 7.472 8.230 0.000 0.111 0.433 115 K N -0.513 119.886 120.400 -0.001 0.000 2.063 115 K HA -0.389 3.930 4.320 -0.002 0.000 0.208 115 K C 2.426 179.027 176.600 0.001 0.000 1.048 115 K CA 3.653 59.940 56.287 -0.000 0.000 0.928 115 K CB -0.401 32.099 32.500 0.000 0.000 0.713 115 K HN -0.407 7.736 8.250 -0.000 0.107 0.442 116 G N -2.134 106.667 108.800 0.003 0.000 2.422 116 G HA2 -0.226 3.737 3.960 0.006 0.000 0.218 116 G HA3 -0.226 3.738 3.960 0.007 0.000 0.218 116 G C 1.776 176.679 174.900 0.005 0.000 1.146 116 G CA 1.889 46.993 45.100 0.006 0.000 0.769 116 G HN -0.405 7.795 8.290 0.003 0.092 0.547 117 L N -0.617 120.607 121.223 0.002 0.000 2.240 117 L HA -0.106 4.235 4.340 0.002 0.000 0.211 117 L C 1.659 178.525 176.870 -0.008 0.000 1.106 117 L CA 0.985 55.824 54.840 -0.002 0.000 0.793 117 L CB -0.739 41.318 42.059 -0.004 0.000 0.927 117 L HN -0.604 7.503 8.230 0.001 0.124 0.446 118 D N -0.329 120.067 120.400 -0.007 0.000 2.123 118 D HA -0.326 4.305 4.640 -0.015 0.000 0.196 118 D C 2.712 179.007 176.300 -0.009 0.000 0.992 118 D CA 3.624 57.618 54.000 -0.010 0.000 0.833 118 D CB 0.207 41.003 40.800 -0.007 0.000 0.954 118 D HN 0.053 8.186 8.370 -0.004 0.235 0.455 119 K N -0.784 119.614 120.400 -0.003 0.000 2.152 119 K HA -0.279 4.041 4.320 0.001 0.000 0.206 119 K C 1.941 178.541 176.600 -0.000 0.000 1.048 119 K CA 2.903 59.191 56.287 0.002 0.000 0.933 119 K CB -0.048 32.457 32.500 0.008 0.000 0.721 119 K HN -0.473 7.773 8.250 -0.000 0.003 0.447 120 A N -1.091 121.727 122.820 -0.003 0.000 2.032 120 A HA -0.238 4.084 4.320 0.005 0.000 0.221 120 A C 1.213 178.779 177.584 -0.030 0.000 1.165 120 A CA 2.534 54.566 52.037 -0.009 0.000 0.645 120 A CB -1.091 17.902 19.000 -0.011 0.000 0.807 120 A HN -0.524 7.473 8.150 -0.003 0.152 0.453 121 S N -2.751 112.928 115.700 -0.035 0.000 2.419 121 S HA -0.332 4.087 4.470 -0.086 0.000 0.235 121 S C 1.783 176.360 174.600 -0.039 0.000 1.019 121 S CA 2.581 60.750 58.200 -0.053 0.000 0.982 121 S CB -0.134 63.041 63.200 -0.041 0.000 0.789 121 S HN -0.226 7.890 8.310 -0.025 0.179 0.490 122 E N -0.447 119.744 120.200 -0.015 0.000 2.152 122 E HA -0.170 4.181 4.350 0.002 0.000 0.192 122 E C 2.616 179.219 176.600 0.005 0.000 0.983 122 E CA 1.973 58.374 56.400 0.000 0.000 0.818 122 E CB 0.058 29.765 29.700 0.011 0.000 0.758 122 E HN 0.135 8.325 8.360 -0.011 0.164 0.467 123 L N -0.998 120.224 121.223 -0.001 0.000 2.127 123 L HA -0.247 4.105 4.340 0.020 0.000 0.211 123 L C 1.790 178.652 176.870 -0.013 0.000 1.089 123 L CA 2.676 57.516 54.840 0.001 0.000 0.757 123 L CB -1.588 40.471 42.059 -0.000 0.000 0.899 123 L HN 0.039 8.123 8.230 -0.006 0.143 0.434 124 A N -5.458 117.341 122.820 -0.036 0.000 2.121 124 A HA -0.155 4.167 4.320 0.004 0.000 0.218 124 A C 0.238 177.876 177.584 0.090 0.000 1.154 124 A CA 1.773 53.795 52.037 -0.025 0.000 0.679 124 A CB 0.032 18.881 19.000 -0.251 0.000 0.795 124 A HN 0.204 8.193 8.150 -0.054 0.128 0.458 125 T N -4.211 110.371 114.554 0.046 0.000 3.266 125 T HA 0.027 4.421 4.350 0.073 0.000 0.278 125 T C 0.134 174.854 174.700 0.034 0.000 1.010 125 T CA -1.485 60.646 62.100 0.052 0.000 0.909 125 T CB 0.752 69.645 68.868 0.042 0.000 1.122 125 T HN -0.070 7.967 8.240 0.017 0.213 0.536 126 L N 1.033 122.273 121.223 0.028 0.000 2.473 126 L HA -0.084 4.276 4.340 0.034 0.000 0.265 126 L C -0.931 175.954 176.870 0.024 0.000 1.243 126 L CA 1.364 56.220 54.840 0.027 0.000 0.822 126 L CB 0.557 42.629 42.059 0.023 0.000 1.101 126 L HN -0.420 7.651 8.230 0.026 0.174 0.507 127 T N -1.041 113.532 114.554 0.031 0.000 2.778 127 T HA 0.405 4.765 4.350 0.017 0.000 0.293 127 T C -1.549 173.171 174.700 0.034 0.000 1.144 127 T CA -2.837 59.279 62.100 0.026 0.000 1.010 127 T CB 1.805 70.689 68.868 0.025 0.000 1.325 127 T HN -0.228 8.038 8.240 0.042 0.000 0.515 128 P HA 0.087 4.530 4.420 0.040 0.000 0.215 128 P C 0.969 178.294 177.300 0.042 0.000 1.157 128 P CA 2.047 65.167 63.100 0.034 0.000 0.856 128 P CB 0.746 32.461 31.700 0.024 0.000 0.786 129 E N -0.641 119.581 120.200 0.035 0.000 2.051 129 E HA -0.260 4.111 4.350 0.036 0.000 0.192 129 E C 2.267 178.895 176.600 0.048 0.000 0.991 129 E CA 3.157 59.579 56.400 0.036 0.000 0.799 129 E CB -0.608 29.109 29.700 0.028 0.000 0.748 129 E HN 0.415 8.793 8.360 0.029 0.000 0.449 130 G N -1.790 107.040 108.800 0.050 0.000 2.511 130 G HA2 -0.141 3.885 3.960 0.058 0.000 0.217 130 G HA3 -0.141 3.853 3.960 0.057 0.000 0.217 130 G C 0.855 175.812 174.900 0.095 0.000 1.133 130 G CA 1.050 46.188 45.100 0.063 0.000 0.792 130 G HN 0.235 8.551 8.290 0.043 0.000 0.539 131 L N 0.632 121.911 121.223 0.093 0.000 2.079 131 L HA -0.336 4.093 4.340 0.150 0.000 0.210 131 L C 0.537 177.501 176.870 0.158 0.000 1.081 131 L CA 2.589 57.503 54.840 0.123 0.000 0.752 131 L CB -0.070 42.044 42.059 0.093 0.000 0.896 131 L HN -0.572 7.463 8.230 0.071 0.238 0.433 132 A N -5.267 117.624 122.820 0.119 0.000 1.975 132 A HA -0.120 4.292 4.320 0.152 0.000 0.215 132 A C 1.194 178.851 177.584 0.122 0.000 1.170 132 A CA 1.674 53.784 52.037 0.123 0.000 0.656 132 A CB 0.288 19.334 19.000 0.076 0.000 0.821 132 A HN -0.669 7.526 8.150 0.090 0.009 0.449 133 R N -2.071 118.486 120.500 0.094 0.000 2.056 133 R HA -0.003 4.366 4.340 0.048 0.000 0.215 133 R C 1.700 178.040 176.300 0.068 0.000 1.205 133 R CA 2.631 58.769 56.100 0.063 0.000 1.020 133 R CB 0.332 30.658 30.300 0.044 0.000 0.911 133 R HN -0.461 7.776 8.270 0.088 0.086 0.451 134 E N 0.095 120.343 120.200 0.080 0.000 2.187 134 E HA -0.415 3.966 4.350 0.053 0.000 0.199 134 E C 2.241 178.909 176.600 0.113 0.000 1.004 134 E CA 3.806 60.254 56.400 0.081 0.000 0.813 134 E CB -0.456 29.293 29.700 0.082 0.000 0.736 134 E HN 0.137 8.439 8.360 0.077 0.104 0.468 135 H N -0.343 118.760 119.070 0.055 0.000 2.290 135 H HA -0.265 4.342 4.556 0.084 0.000 0.298 135 H C 2.360 177.709 175.328 0.036 0.000 1.087 135 H CA 3.047 59.132 56.048 0.063 0.000 1.291 135 H CB -0.223 29.581 29.762 0.071 0.000 1.369 135 H HN 0.234 8.632 8.280 0.233 0.021 0.492 136 S N -1.527 114.053 115.700 -0.200 0.000 2.356 136 S HA -0.298 3.916 4.470 -0.427 0.000 0.223 136 S C 1.835 176.355 174.600 -0.134 0.000 1.032 136 S CA 2.507 60.559 58.200 -0.247 0.000 1.005 136 S CB -0.075 63.054 63.200 -0.119 0.000 0.867 136 S HN -0.294 7.923 8.310 -0.015 0.083 0.449 137 R N -0.472 119.995 120.500 -0.055 0.000 2.073 137 R HA -0.175 4.145 4.340 -0.033 0.000 0.229 137 R C 2.847 179.139 176.300 -0.014 0.000 1.120 137 R CA 2.777 58.862 56.100 -0.026 0.000 0.967 137 R CB 0.442 30.741 30.300 -0.002 0.000 0.862 137 R HN -0.364 7.888 8.270 -0.028 0.000 0.436 138 L N -1.579 119.651 121.223 0.011 0.000 2.456 138 L HA -0.157 4.256 4.340 0.032 -0.054 0.224 138 L C 0.270 177.158 176.870 0.030 0.000 1.148 138 L CA 2.468 57.331 54.840 0.040 0.000 0.825 138 L CB -0.645 41.467 42.059 0.087 0.000 0.937 138 L HN 1.084 9.162 8.230 0.022 0.166 0.450 139 A N -5.181 117.620 122.820 -0.032 0.000 2.390 139 A HA 0.080 4.402 4.320 0.003 0.000 0.232 139 A C -0.514 177.034 177.584 -0.060 0.000 1.233 139 A CA -0.652 51.350 52.037 -0.058 0.000 0.907 139 A CB 0.146 19.023 19.000 -0.205 0.000 0.967 139 A HN -0.103 7.881 8.150 -0.072 0.122 0.512 140 S N -0.594 115.077 115.700 -0.047 0.000 2.566 140 S HA 0.136 4.580 4.470 -0.044 0.000 0.277 140 S C 0.009 174.598 174.600 -0.018 0.000 1.150 140 S CA -1.483 56.695 58.200 -0.037 0.000 1.032 140 S CB 1.161 64.340 63.200 -0.036 0.000 1.157 140 S HN -0.320 7.747 8.310 -0.039 0.219 0.507 141 G N -0.517 108.275 108.800 -0.015 0.000 2.298 141 G HA2 -0.210 3.746 3.960 -0.006 0.000 0.263 141 G HA3 -0.210 3.746 3.960 -0.008 0.000 0.263 141 G C -0.421 174.477 174.900 -0.003 0.000 1.229 141 G CA 1.271 46.367 45.100 -0.008 0.000 0.976 141 G HN 0.153 8.432 8.290 -0.018 0.000 0.459 142 D N 1.391 121.792 120.400 0.001 0.000 2.553 142 D HA -0.242 4.401 4.640 0.005 0.000 0.178 142 D C 0.963 177.269 176.300 0.009 0.000 0.951 142 D CA 0.643 54.645 54.000 0.004 0.000 1.015 142 D CB -0.241 40.561 40.800 0.003 0.000 1.069 142 D HN -0.120 8.251 8.370 0.001 0.000 0.463 143 G N -0.156 108.649 108.800 0.008 0.000 2.115 143 G HA2 -0.315 3.723 3.960 0.015 0.000 0.244 143 G HA3 -0.315 3.765 3.960 0.013 -0.112 0.244 143 G C -0.046 174.870 174.900 0.027 0.000 1.105 143 G CA 0.624 45.733 45.100 0.015 0.000 0.893 143 G HN -0.161 7.887 8.290 0.002 0.243 0.443 144 A N 6.482 129.322 122.820 0.032 0.000 1.933 144 A HA -0.207 4.128 4.320 0.025 0.000 0.218 144 A C 1.981 179.596 177.584 0.051 0.000 1.175 144 A CA 2.557 54.615 52.037 0.034 0.000 0.628 144 A CB -0.071 18.947 19.000 0.030 0.000 0.814 144 A HN 0.652 8.820 8.150 0.031 0.000 0.444 145 L N -1.803 119.466 121.223 0.076 0.000 2.072 145 L HA -0.337 4.071 4.340 0.112 0.000 0.205 145 L C 1.647 178.579 176.870 0.103 0.000 1.079 145 L CA 2.874 57.784 54.840 0.116 0.000 0.752 145 L CB 0.013 42.184 42.059 0.186 0.000 0.906 145 L HN -0.514 7.664 8.230 0.073 0.095 0.436 146 R N -1.821 118.722 120.500 0.073 0.000 2.075 146 R HA -0.283 4.202 4.340 0.065 -0.105 0.226 146 R C 2.539 178.863 176.300 0.041 0.000 1.114 146 R CA 2.806 58.938 56.100 0.053 0.000 0.972 146 R CB 0.322 30.639 30.300 0.028 0.000 0.869 146 R HN 0.504 8.637 8.270 0.062 0.174 0.437 147 S N 0.578 116.298 115.700 0.034 0.000 2.399 147 S HA -0.286 4.196 4.470 0.020 0.000 0.231 147 S C 2.082 176.698 174.600 0.027 0.000 1.022 147 S CA 3.224 61.439 58.200 0.024 0.000 0.983 147 S CB -0.066 63.145 63.200 0.018 0.000 0.803 147 S HN 0.750 8.938 8.310 0.034 0.143 0.480 148 L N 2.518 123.762 121.223 0.036 0.000 2.017 148 L HA -0.207 4.146 4.340 0.021 0.000 0.208 148 L C 1.526 178.419 176.870 0.037 0.000 1.073 148 L CA 3.060 57.920 54.840 0.034 0.000 0.745 148 L CB -0.721 41.363 42.059 0.041 0.000 0.894 148 L HN -0.270 7.775 8.230 0.044 0.211 0.432 149 S N -1.682 114.049 115.700 0.051 0.000 2.368 149 S HA -0.382 4.119 4.470 0.052 0.000 0.224 149 S C 1.837 176.457 174.600 0.034 0.000 1.029 149 S CA 3.341 61.572 58.200 0.050 0.000 0.988 149 S CB -0.388 62.850 63.200 0.063 0.000 0.838 149 S HN -0.623 7.645 8.310 0.061 0.078 0.462 150 T N 4.544 119.115 114.554 0.029 0.000 2.737 150 T HA -0.306 4.055 4.350 0.019 0.000 0.265 150 T C 1.593 176.302 174.700 0.016 0.000 1.038 150 T CA 4.267 66.379 62.100 0.020 0.000 1.144 150 T CB -0.013 68.865 68.868 0.017 0.000 0.866 150 T HN -0.076 8.115 8.240 0.032 0.068 0.434 151 A N 1.874 124.703 122.820 0.016 0.000 1.978 151 A HA -0.264 4.062 4.320 0.009 0.000 0.220 151 A C 2.194 179.785 177.584 0.010 0.000 1.170 151 A CA 3.231 55.274 52.037 0.011 0.000 0.636 151 A CB -0.874 18.131 19.000 0.009 0.000 0.810 151 A HN 0.896 8.916 8.150 0.019 0.141 0.448 152 L N -1.951 119.281 121.223 0.014 0.000 2.005 152 L HA -0.260 4.086 4.340 0.010 0.000 0.207 152 L C 2.264 179.142 176.870 0.013 0.000 1.072 152 L CA 2.325 57.173 54.840 0.013 0.000 0.744 152 L CB -1.231 40.840 42.059 0.019 0.000 0.895 152 L HN -0.426 7.703 8.230 0.019 0.112 0.433 153 A N -1.747 121.082 122.820 0.015 0.000 1.978 153 A HA -0.294 4.034 4.320 0.013 0.000 0.220 153 A C 2.376 179.966 177.584 0.009 0.000 1.170 153 A CA 3.107 55.152 52.037 0.013 0.000 0.636 153 A CB -0.735 18.273 19.000 0.014 0.000 0.810 153 A HN 0.084 8.184 8.150 0.018 0.060 0.448 154 G N -3.101 105.704 108.800 0.009 0.000 2.432 154 G HA2 -0.272 3.692 3.960 0.006 0.000 0.219 154 G HA3 -0.272 3.692 3.960 0.006 0.000 0.219 154 G C 0.923 175.826 174.900 0.005 0.000 1.135 154 G CA 1.688 46.792 45.100 0.006 0.000 0.767 154 G HN 0.447 8.533 8.290 0.010 0.210 0.550 155 I N 1.430 122.004 120.570 0.005 0.000 2.500 155 I HA -0.414 3.758 4.170 0.003 0.000 0.252 155 I C 1.659 177.778 176.117 0.005 0.000 1.142 155 I CA 2.575 63.878 61.300 0.004 0.000 1.451 155 I CB -0.057 37.945 38.000 0.003 0.000 1.093 155 I HN -0.526 7.544 8.210 0.007 0.144 0.430 156 R N -0.991 119.513 120.500 0.006 0.000 2.117 156 R HA -0.379 3.965 4.340 0.006 0.000 0.243 156 R C 0.722 177.025 176.300 0.005 0.000 1.143 156 R CA 3.674 59.777 56.100 0.006 0.000 0.968 156 R CB 0.065 30.370 30.300 0.008 0.000 0.863 156 R HN -0.205 7.974 8.270 0.007 0.095 0.444 157 A N -6.005 116.818 122.820 0.005 0.000 2.545 157 A HA 0.272 4.595 4.320 0.004 0.000 0.263 157 A C -0.055 177.531 177.584 0.003 0.000 1.202 157 A CA -0.116 51.924 52.037 0.004 0.000 0.959 157 A CB 0.359 19.361 19.000 0.004 0.000 1.124 157 A HN -0.776 7.362 8.150 0.005 0.016 0.543 158 G N -1.037 107.765 108.800 0.003 0.000 2.709 158 G HA2 0.094 4.055 3.960 0.002 0.000 0.208 158 G HA3 0.094 4.181 3.960 0.003 -0.126 0.208 158 G C 0.070 174.972 174.900 0.002 0.000 1.129 158 G CA -0.440 44.662 45.100 0.003 0.000 0.793 158 G HN -0.012 8.122 8.290 0.004 0.158 0.524 159 S N 1.238 116.939 115.700 0.002 0.000 2.554 159 S HA 0.096 4.661 4.470 0.001 -0.094 0.278 159 S C -0.855 173.746 174.600 0.002 0.000 1.242 159 S CA -0.278 57.923 58.200 0.002 0.000 1.051 159 S CB 1.481 64.682 63.200 0.001 0.000 0.986 159 S HN -0.204 8.002 8.310 0.003 0.105 0.502 160 Q N 4.355 124.156 119.800 0.001 0.000 2.225 160 Q HA 0.012 4.353 4.340 0.002 0.000 0.222 160 Q C -1.520 174.481 176.000 0.001 0.000 0.887 160 Q CA -0.403 55.400 55.803 0.001 0.000 0.958 160 Q CB 0.517 29.256 28.738 0.001 0.000 1.058 160 Q HN -0.069 8.401 8.270 0.001 -0.200 0.459 161 V N -0.774 119.140 119.914 0.001 0.000 2.623 161 V HA 0.112 4.233 4.120 0.001 0.000 0.304 161 V C 0.031 176.127 176.094 0.002 0.000 1.054 161 V CA -1.775 60.526 62.300 0.001 0.000 0.882 161 V CB 2.557 34.380 31.823 0.001 0.000 1.002 161 V HN -0.406 7.664 8.190 0.002 0.120 0.424 162 E N 8.151 128.352 120.200 0.002 0.000 2.209 162 E HA -0.467 3.884 4.350 0.003 0.000 0.196 162 E C 1.168 177.770 176.600 0.003 0.000 0.993 162 E CA 3.493 59.894 56.400 0.002 0.000 0.819 162 E CB -0.408 29.293 29.700 0.002 0.000 0.745 162 E HN 0.637 8.998 8.360 0.002 0.000 0.477 163 E N -0.507 119.695 120.200 0.002 0.000 2.072 163 E HA -0.213 4.139 4.350 0.002 0.000 0.191 163 E C 2.277 178.878 176.600 0.002 0.000 0.985 163 E CA 2.905 59.306 56.400 0.002 0.000 0.801 163 E CB -0.561 29.140 29.700 0.001 0.000 0.750 163 E HN 0.489 8.813 8.360 0.002 0.037 0.452 164 S N 0.304 116.005 115.700 0.002 0.000 2.356 164 S HA -0.347 4.124 4.470 0.001 0.000 0.223 164 S C 2.095 176.696 174.600 0.003 0.000 1.032 164 S CA 3.565 61.766 58.200 0.002 0.000 1.005 164 S CB -0.109 63.091 63.200 0.002 0.000 0.867 164 S HN -0.227 7.980 8.310 0.002 0.104 0.449 165 R N -0.053 120.449 120.500 0.004 0.000 2.073 165 R HA -0.219 4.125 4.340 0.006 0.000 0.229 165 R C 2.267 178.571 176.300 0.006 0.000 1.120 165 R CA 3.014 59.117 56.100 0.005 0.000 0.967 165 R CB -0.682 29.621 30.300 0.005 0.000 0.862 165 R HN -0.649 7.623 8.270 0.003 0.000 0.436 166 I N 1.244 121.817 120.570 0.005 0.000 2.226 166 I HA -0.522 3.652 4.170 0.006 0.000 0.245 166 I C 2.447 178.568 176.117 0.006 0.000 1.100 166 I CA 4.034 65.337 61.300 0.005 0.000 1.374 166 I CB -0.302 37.700 38.000 0.004 0.000 1.057 166 I HN 0.526 8.557 8.210 0.004 0.182 0.413 167 Q N -1.268 118.535 119.800 0.004 0.000 2.079 167 Q HA -0.317 4.025 4.340 0.004 0.000 0.200 167 Q C 2.617 178.620 176.000 0.005 0.000 0.974 167 Q CA 3.429 59.234 55.803 0.004 0.000 0.840 167 Q CB -0.134 28.605 28.738 0.002 0.000 0.898 167 Q HN 0.579 8.727 8.270 0.004 0.125 0.430 168 A N -0.757 122.066 122.820 0.006 0.000 1.873 168 A HA -0.169 4.155 4.320 0.008 0.000 0.215 168 A C 2.174 179.765 177.584 0.012 0.000 1.186 168 A CA 2.827 54.869 52.037 0.008 0.000 0.616 168 A CB -0.702 18.302 19.000 0.008 0.000 0.823 168 A HN 0.431 8.467 8.150 0.005 0.116 0.442 169 G N -1.590 107.216 108.800 0.011 0.000 2.446 169 G HA2 -0.402 3.568 3.960 0.016 0.000 0.217 169 G HA3 -0.402 3.600 3.960 0.012 -0.035 0.217 169 G C 1.142 176.051 174.900 0.016 0.000 1.168 169 G CA 1.878 46.987 45.100 0.014 0.000 0.771 169 G HN 0.757 8.912 8.290 0.009 0.140 0.551 170 R N 1.001 121.509 120.500 0.013 0.000 2.127 170 R HA -0.236 4.113 4.340 0.014 0.000 0.238 170 R C 1.269 177.580 176.300 0.017 0.000 1.134 170 R CA 2.906 59.014 56.100 0.014 0.000 0.975 170 R CB -0.275 30.031 30.300 0.010 0.000 0.865 170 R HN -0.193 7.972 8.270 0.010 0.111 0.447 171 L N -3.408 117.825 121.223 0.017 0.000 2.095 171 L HA -0.116 4.235 4.340 0.018 0.000 0.204 171 L C 1.900 178.790 176.870 0.034 0.000 1.080 171 L CA 1.850 56.702 54.840 0.020 0.000 0.759 171 L CB -0.250 41.817 42.059 0.013 0.000 0.914 171 L HN -0.703 7.408 8.230 0.014 0.128 0.439 172 L N -1.096 120.146 121.223 0.032 0.000 2.191 172 L HA -0.322 4.049 4.340 0.052 0.000 0.212 172 L C 1.919 178.815 176.870 0.044 0.000 1.103 172 L CA 2.444 57.308 54.840 0.041 0.000 0.769 172 L CB -1.146 40.932 42.059 0.031 0.000 0.908 172 L HN 0.651 8.712 8.230 0.025 0.184 0.438 173 E N -4.288 115.934 120.200 0.036 0.000 2.472 173 E HA -0.009 4.364 4.350 0.038 0.000 0.196 173 E C -0.246 176.379 176.600 0.042 0.000 1.033 173 E CA -0.742 55.680 56.400 0.036 0.000 0.886 173 E CB 0.749 30.464 29.700 0.025 0.000 0.944 173 E HN -0.183 7.967 8.360 0.030 0.228 0.492 174 R N -0.155 120.372 120.500 0.045 0.000 2.694 174 R HA -0.059 4.303 4.340 0.037 0.000 0.268 174 R C -1.342 175.003 176.300 0.075 0.000 1.061 174 R CA 0.453 56.580 56.100 0.046 0.000 1.133 174 R CB 1.276 31.595 30.300 0.031 0.000 1.020 174 R HN -0.526 7.542 8.270 0.042 0.228 0.475 175 S N 4.056 119.799 115.700 0.071 0.000 2.464 175 S HA 0.115 4.845 4.470 0.151 -0.169 0.313 175 S C -0.925 173.741 174.600 0.111 0.000 1.078 175 S CA -0.674 57.592 58.200 0.111 0.000 1.096 175 S CB 0.117 63.369 63.200 0.086 0.000 1.032 175 S HN 0.281 8.620 8.310 0.049 0.000 0.498 176 I N 5.472 126.148 120.570 0.175 0.000 2.428 176 I HA -0.094 4.001 4.170 -0.126 0.000 0.289 176 I C 0.926 177.089 176.117 0.075 0.000 1.019 176 I CA -1.136 60.122 61.300 -0.070 0.000 1.351 176 I CB 0.237 38.001 38.000 -0.392 0.000 1.412 176 I HN 0.731 9.064 8.210 0.299 0.056 0.513 177 G N 7.250 115.943 108.800 -0.177 0.000 2.309 177 G HA2 -0.360 3.560 3.960 -0.069 0.000 0.286 177 G HA3 -0.360 3.509 3.960 -0.070 0.048 0.286 177 G C 0.224 175.286 174.900 0.270 0.000 1.002 177 G CA 1.009 46.109 45.100 0.001 0.000 0.786 177 G HN -0.075 8.132 8.290 -0.259 -0.072 0.511 178 G N -2.841 106.086 108.800 0.211 0.000 2.175 178 G HA2 -0.322 3.708 3.960 0.115 0.000 0.244 178 G HA3 -0.322 3.727 3.960 0.148 0.000 0.244 178 G C -0.562 174.461 174.900 0.206 0.000 0.982 178 G CA -0.166 45.037 45.100 0.172 0.000 0.641 178 G HN -0.504 7.816 8.290 0.148 0.058 0.527 179 I N 1.900 122.705 120.570 0.392 0.000 2.465 179 I HA 0.161 4.396 4.170 0.109 0.000 0.291 179 I C -0.809 175.504 176.117 0.325 0.000 1.014 179 I CA -3.193 58.253 61.300 0.243 0.000 1.093 179 I CB 1.163 39.115 38.000 -0.081 0.000 1.267 179 I HN 0.291 8.657 8.210 0.653 0.236 0.431 180 A N 6.782 129.691 122.820 0.147 0.000 2.624 180 A HA -0.202 4.412 4.320 0.145 -0.207 0.231 180 A C 1.573 179.308 177.584 0.251 0.000 1.034 180 A CA 1.153 53.278 52.037 0.147 0.000 0.754 180 A CB 0.332 19.372 19.000 0.068 0.000 0.953 180 A HN 0.384 8.580 8.150 0.076 0.000 0.509 181 L N 2.528 123.891 121.223 0.232 0.000 2.042 181 L HA -0.340 4.261 4.340 0.435 0.000 0.210 181 L C 2.376 179.370 176.870 0.207 0.000 1.076 181 L CA 3.309 58.307 54.840 0.263 0.000 0.749 181 L CB 0.277 42.418 42.059 0.136 0.000 0.893 181 L HN 1.168 9.395 8.230 0.158 0.098 0.432 182 Q N -4.121 115.749 119.800 0.118 0.000 2.376 182 Q HA -0.334 4.051 4.340 0.075 0.000 0.211 182 Q C 1.704 177.734 176.000 0.050 0.000 0.986 182 Q CA 2.589 58.435 55.803 0.073 0.000 0.886 182 Q CB -0.459 28.305 28.738 0.043 0.000 0.927 182 Q HN -0.334 7.993 8.270 0.103 0.004 0.457 183 Q N -2.364 117.453 119.800 0.028 0.000 2.123 183 Q HA -0.052 4.240 4.340 -0.080 0.000 0.196 183 Q C 1.406 177.331 176.000 -0.126 0.000 0.958 183 Q CA 1.370 57.107 55.803 -0.110 0.000 0.841 183 Q CB 0.430 29.012 28.738 -0.260 0.000 0.915 183 Q HN -0.033 8.071 8.270 0.080 0.214 0.455 184 W N -0.791 120.525 121.300 0.027 0.000 3.310 184 W HA -0.139 4.541 4.660 0.034 0.000 0.395 184 W C -0.585 175.969 176.519 0.059 0.000 1.059 184 W CA 0.236 57.601 57.345 0.032 0.000 1.845 184 W CB -1.619 27.844 29.460 0.005 0.000 0.908 184 W HN -0.383 7.848 8.180 0.248 0.099 0.798 185 G N -4.909 103.999 108.800 0.181 0.000 4.750 185 G HA2 0.115 4.285 3.960 0.150 0.000 0.266 185 G HA3 0.115 4.125 3.960 0.114 0.019 0.266 185 G C -1.528 173.418 174.900 0.078 0.000 1.000 185 G CA 0.101 45.280 45.100 0.132 0.000 0.776 185 G HN -0.201 7.978 8.290 0.106 0.175 0.357 186 T N 0.457 115.055 114.554 0.073 0.000 2.893 186 T HA 0.212 4.566 4.350 0.008 0.000 0.337 186 T C -1.552 173.164 174.700 0.026 0.000 1.587 186 T CA -0.111 62.004 62.100 0.025 0.000 1.066 186 T CB 1.301 70.175 68.868 0.009 0.000 1.414 186 T HN -0.416 7.886 8.240 0.103 0.000 0.488 187 T N 5.111 119.645 114.554 -0.032 0.000 2.922 187 T HA 0.135 4.493 4.350 0.012 0.000 0.285 187 T C 1.014 175.700 174.700 -0.024 0.000 1.005 187 T CA 0.074 62.146 62.100 -0.048 0.000 1.061 187 T CB 0.700 69.484 68.868 -0.139 0.000 1.007 187 T HN 0.327 8.538 8.240 -0.047 0.000 0.502 188 G N 5.752 114.545 108.800 -0.011 0.000 2.136 188 G HA2 -0.216 3.733 3.960 -0.019 0.000 0.242 188 G HA3 -0.216 3.729 3.960 -0.025 0.000 0.242 188 G C -0.846 174.032 174.900 -0.037 0.000 0.989 188 G CA -0.045 45.041 45.100 -0.023 0.000 0.682 188 G HN 0.315 8.615 8.290 0.018 0.000 0.522 189 G N -1.017 107.750 108.800 -0.055 0.000 2.702 189 G HA2 0.167 4.084 3.960 -0.072 0.000 0.254 189 G HA3 0.167 4.222 3.960 -0.116 -0.164 0.254 189 G C -0.921 173.897 174.900 -0.136 0.000 1.380 189 G CA -1.194 43.849 45.100 -0.094 0.000 1.042 189 G HN -0.455 7.772 8.290 -0.036 0.040 0.557 190 A N -0.947 121.767 122.820 -0.176 0.000 1.975 190 A HA 0.026 4.266 4.320 -0.134 0.000 0.215 190 A C 1.697 179.087 177.584 -0.323 0.000 1.170 190 A CA 2.606 54.532 52.037 -0.184 0.000 0.656 190 A CB -0.083 18.839 19.000 -0.131 0.000 0.821 190 A HN 0.074 8.283 8.150 -0.170 -0.161 0.449 191 A N -1.051 121.427 122.820 -0.572 0.000 1.917 191 A HA -0.482 3.130 4.320 -1.180 0.000 0.219 191 A C 1.659 178.769 177.584 -0.789 0.000 1.182 191 A CA 3.166 54.517 52.037 -1.145 0.000 0.633 191 A CB -1.269 16.583 19.000 -1.914 0.000 0.819 191 A HN 0.337 8.186 8.150 -0.503 0.000 0.448 192 S N -2.547 112.873 115.700 -0.466 0.000 2.370 192 S HA -0.471 3.784 4.470 -0.357 0.000 0.226 192 S C 2.033 176.530 174.600 -0.172 0.000 1.033 192 S CA 3.296 61.352 58.200 -0.241 0.000 1.011 192 S CB -0.271 62.931 63.200 0.004 0.000 0.852 192 S HN 0.320 8.398 8.310 -0.377 0.005 0.457 193 Q N 1.357 121.065 119.800 -0.155 0.000 2.119 193 Q HA -0.195 4.108 4.340 -0.062 0.000 0.201 193 Q C 2.116 178.065 176.000 -0.084 0.000 0.972 193 Q CA 2.602 58.349 55.803 -0.093 0.000 0.847 193 Q CB -0.943 27.750 28.738 -0.074 0.000 0.903 193 Q HN -0.754 7.312 8.270 -0.181 0.095 0.433 194 L N 0.523 121.669 121.223 -0.127 0.000 2.012 194 L HA -0.242 4.093 4.340 -0.007 0.000 0.210 194 L C 1.913 178.787 176.870 0.007 0.000 1.073 194 L CA 2.801 57.616 54.840 -0.042 0.000 0.748 194 L CB -0.945 41.106 42.059 -0.012 0.000 0.891 194 L HN 0.269 8.182 8.230 -0.212 0.190 0.431 195 V N -0.850 119.037 119.914 -0.044 0.000 2.515 195 V HA -0.266 4.022 4.120 0.092 -0.114 0.250 195 V C 1.549 177.645 176.094 0.004 0.000 1.058 195 V CA 2.897 65.206 62.300 0.015 0.000 1.064 195 V CB -0.593 31.205 31.823 -0.042 0.000 0.675 195 V HN 0.042 8.121 8.190 -0.186 0.000 0.461 196 L N -4.213 116.997 121.223 -0.022 0.000 2.189 196 L HA -0.242 4.101 4.340 0.005 0.000 0.214 196 L C 0.749 177.622 176.870 0.005 0.000 1.097 196 L CA 2.226 57.063 54.840 -0.005 0.000 0.764 196 L CB -0.815 41.236 42.059 -0.014 0.000 0.900 196 L HN -0.330 7.749 8.230 -0.057 0.117 0.436 197 D N -1.352 119.053 120.400 0.008 0.000 2.278 197 D HA -0.067 4.580 4.640 0.011 0.000 0.228 197 D C 0.111 176.425 176.300 0.023 0.000 1.020 197 D CA 0.991 55.000 54.000 0.015 0.000 0.922 197 D CB 1.458 42.268 40.800 0.017 0.000 1.051 197 D HN -0.646 7.566 8.370 0.004 0.160 0.452 198 A N -1.354 121.487 122.820 0.035 0.000 2.388 198 A HA 0.171 4.508 4.320 0.029 0.000 0.257 198 A C -1.229 176.380 177.584 0.043 0.000 1.095 198 A CA 0.388 52.449 52.037 0.039 0.000 0.791 198 A CB 1.042 20.071 19.000 0.048 0.000 1.029 198 A HN -0.351 7.825 8.150 0.042 0.000 0.489 199 S N 0.248 115.969 115.700 0.033 0.000 3.526 199 S HA 0.349 4.845 4.470 0.043 0.000 0.222 199 S C -0.467 174.150 174.600 0.028 0.000 1.001 199 S CA 0.809 59.030 58.200 0.034 0.000 0.831 199 S CB -0.011 63.206 63.200 0.028 0.000 0.941 199 S HN 0.411 8.738 8.310 0.027 0.000 0.585 200 P HA 0.045 4.473 4.420 0.014 0.000 0.218 200 P C 1.085 178.391 177.300 0.009 0.000 1.152 200 P CA 2.338 65.447 63.100 0.013 0.000 0.826 200 P CB 0.042 31.748 31.700 0.010 0.000 0.790 201 E N -1.242 118.964 120.200 0.010 0.000 2.076 201 E HA -0.314 4.036 4.350 -0.000 0.000 0.190 201 E C 1.852 178.455 176.600 0.004 0.000 0.979 201 E CA 3.283 59.686 56.400 0.005 0.000 0.807 201 E CB -0.400 29.305 29.700 0.008 0.000 0.761 201 E HN 0.247 8.615 8.360 0.014 0.000 0.454 202 L N -1.301 119.933 121.223 0.019 0.000 2.012 202 L HA -0.323 4.028 4.340 0.017 0.000 0.210 202 L C 1.514 178.381 176.870 -0.005 0.000 1.073 202 L CA 3.791 58.646 54.840 0.025 0.000 0.748 202 L CB -0.339 41.765 42.059 0.075 0.000 0.891 202 L HN -0.087 8.158 8.230 0.026 0.000 0.431 203 R N -2.405 118.099 120.500 0.006 0.000 2.152 203 R HA -0.296 4.038 4.340 -0.011 0.000 0.232 203 R C 1.895 178.181 176.300 -0.024 0.000 1.117 203 R CA 2.665 58.762 56.100 -0.005 0.000 0.981 203 R CB -1.016 29.290 30.300 0.011 0.000 0.870 203 R HN -0.286 7.995 8.270 0.019 0.000 0.451 204 R N -2.881 117.606 120.500 -0.022 0.000 2.057 204 R HA -0.202 4.120 4.340 -0.030 0.000 0.224 204 R C 2.594 178.867 176.300 -0.045 0.000 1.136 204 R CA 3.092 59.175 56.100 -0.029 0.000 0.968 204 R CB -0.435 29.853 30.300 -0.021 0.000 0.863 204 R HN -0.757 7.345 8.270 -0.012 0.161 0.433 205 E N 0.075 120.248 120.200 -0.045 0.000 2.033 205 E HA -0.099 4.217 4.350 -0.056 0.000 0.189 205 E C 2.516 179.054 176.600 -0.103 0.000 0.979 205 E CA 2.682 59.046 56.400 -0.059 0.000 0.802 205 E CB -0.339 29.337 29.700 -0.040 0.000 0.763 205 E HN 0.407 8.633 8.360 -0.032 0.115 0.449 206 I N -0.502 119.990 120.570 -0.129 0.000 2.151 206 I HA -0.302 3.970 4.170 -0.337 -0.305 0.243 206 I C 2.526 178.490 176.117 -0.256 0.000 1.080 206 I CA 3.500 64.638 61.300 -0.271 0.000 1.339 206 I CB -1.332 36.490 38.000 -0.296 0.000 1.039 206 I HN 0.705 8.748 8.210 -0.082 0.118 0.409 207 T N 1.922 116.389 114.554 -0.146 0.000 2.708 207 T HA -0.342 3.944 4.350 -0.107 0.000 0.266 207 T C 1.842 176.505 174.700 -0.062 0.000 1.037 207 T CA 5.045 67.089 62.100 -0.092 0.000 1.146 207 T CB -0.838 68.002 68.868 -0.046 0.000 0.865 207 T HN -0.544 7.524 8.240 -0.109 0.106 0.435 208 D N 1.732 122.091 120.400 -0.069 0.000 2.149 208 D HA -0.311 4.295 4.640 -0.057 0.000 0.198 208 D C 2.087 178.359 176.300 -0.046 0.000 0.990 208 D CA 3.814 57.779 54.000 -0.058 0.000 0.839 208 D CB -0.060 40.700 40.800 -0.068 0.000 0.948 208 D HN -0.426 7.725 8.370 -0.076 0.173 0.460 209 Q N -0.543 119.199 119.800 -0.096 0.000 2.123 209 Q HA -0.195 4.101 4.340 -0.073 0.000 0.199 209 Q C 2.357 178.286 176.000 -0.119 0.000 0.966 209 Q CA 3.079 58.814 55.803 -0.114 0.000 0.845 209 Q CB -0.002 28.631 28.738 -0.175 0.000 0.907 209 Q HN 0.231 8.220 8.270 -0.125 0.206 0.439 210 L N 1.071 122.198 121.223 -0.160 0.000 2.046 210 L HA -0.443 3.786 4.340 -0.185 0.000 0.208 210 L C 2.054 178.894 176.870 -0.051 0.000 1.077 210 L CA 3.350 58.103 54.840 -0.145 0.000 0.747 210 L CB -0.533 41.425 42.059 -0.169 0.000 0.896 210 L HN 0.497 8.418 8.230 -0.187 0.197 0.432 211 H N -0.898 118.116 119.070 -0.092 0.000 2.387 211 H HA -0.412 4.113 4.556 -0.051 0.000 0.299 211 H C 2.509 177.805 175.328 -0.054 0.000 1.099 211 H CA 4.139 60.151 56.048 -0.061 0.000 1.315 211 H CB 0.241 29.972 29.762 -0.052 0.000 1.380 211 H HN 0.377 8.596 8.280 0.077 0.107 0.513 212 Q N -1.475 118.396 119.800 0.117 0.000 2.172 212 Q HA -0.204 4.207 4.340 0.118 0.000 0.200 212 Q C 2.460 178.456 176.000 -0.007 0.000 0.964 212 Q CA 2.812 58.654 55.803 0.065 0.000 0.855 212 Q CB 0.058 28.814 28.738 0.030 0.000 0.918 212 Q HN -0.646 7.577 8.270 0.089 0.101 0.444 213 V N 0.536 120.427 119.914 -0.039 0.000 2.343 213 V HA -0.448 3.649 4.120 -0.038 0.000 0.247 213 V C 2.125 178.187 176.094 -0.053 0.000 1.051 213 V CA 4.001 66.271 62.300 -0.050 0.000 1.036 213 V CB -0.460 31.319 31.823 -0.073 0.000 0.654 213 V HN 0.398 8.337 8.190 -0.045 0.225 0.451 214 M N -0.600 118.950 119.600 -0.084 0.000 2.229 214 M HA -0.350 4.086 4.480 -0.073 0.000 0.264 214 M C 1.713 177.957 176.300 -0.094 0.000 1.063 214 M CA 2.924 58.163 55.300 -0.102 0.000 1.114 214 M CB -0.373 32.126 32.600 -0.169 0.000 1.387 214 M HN 0.048 8.275 8.290 -0.096 0.005 0.420 215 S N -0.295 115.352 115.700 -0.089 0.000 2.359 215 S HA -0.435 3.996 4.470 -0.066 0.000 0.224 215 S C 2.333 176.916 174.600 -0.029 0.000 1.035 215 S CA 3.530 61.700 58.200 -0.051 0.000 1.018 215 S CB -0.337 62.862 63.200 -0.002 0.000 0.876 215 S HN -0.520 7.613 8.310 -0.090 0.123 0.448 216 E N 0.927 121.113 120.200 -0.023 0.000 2.152 216 E HA -0.217 4.127 4.350 -0.011 0.000 0.192 216 E C 2.254 178.844 176.600 -0.017 0.000 0.983 216 E CA 2.953 59.343 56.400 -0.015 0.000 0.818 216 E CB -0.062 29.632 29.700 -0.011 0.000 0.758 216 E HN -0.744 7.601 8.360 -0.025 0.000 0.467 217 V N -0.093 119.806 119.914 -0.024 0.000 2.490 217 V HA -0.522 3.590 4.120 -0.013 0.000 0.250 217 V C 1.665 177.747 176.094 -0.021 0.000 1.061 217 V CA 3.975 66.263 62.300 -0.021 0.000 1.064 217 V CB -0.858 30.950 31.823 -0.025 0.000 0.670 217 V HN -0.366 7.700 8.190 -0.032 0.105 0.461 218 A N 0.259 123.062 122.820 -0.028 0.000 1.933 218 A HA -0.256 4.049 4.320 -0.025 0.000 0.218 218 A C 2.075 179.650 177.584 -0.016 0.000 1.175 218 A CA 3.595 55.617 52.037 -0.025 0.000 0.628 218 A CB -0.954 18.026 19.000 -0.032 0.000 0.814 218 A HN 0.062 8.067 8.150 -0.036 0.123 0.444 219 L N -1.292 119.923 121.223 -0.013 0.000 2.017 219 L HA -0.285 4.050 4.340 -0.007 0.000 0.208 219 L C 2.121 178.988 176.870 -0.006 0.000 1.073 219 L CA 3.066 57.902 54.840 -0.008 0.000 0.745 219 L CB -0.142 41.913 42.059 -0.006 0.000 0.894 219 L HN -0.791 7.304 8.230 -0.015 0.126 0.432 220 L N -4.921 116.298 121.223 -0.006 0.000 2.109 220 L HA -0.261 4.078 4.340 -0.003 0.000 0.207 220 L C 2.014 178.882 176.870 -0.005 0.000 1.086 220 L CA 3.253 58.090 54.840 -0.004 0.000 0.760 220 L CB -1.036 41.021 42.059 -0.003 0.000 0.910 220 L HN -0.506 7.720 8.230 -0.008 0.000 0.437 221 R N -0.453 120.043 120.500 -0.007 0.000 2.080 221 R HA -0.488 3.848 4.340 -0.006 0.000 0.236 221 R C 2.386 178.682 176.300 -0.006 0.000 1.137 221 R CA 4.076 60.171 56.100 -0.008 0.000 0.943 221 R CB -0.242 30.051 30.300 -0.012 0.000 0.846 221 R HN 0.725 8.796 8.270 -0.010 0.193 0.431 222 Q N -1.717 118.078 119.800 -0.007 0.000 2.181 222 Q HA -0.400 3.937 4.340 -0.006 0.000 0.205 222 Q C 2.067 178.064 176.000 -0.004 0.000 0.980 222 Q CA 3.324 59.124 55.803 -0.006 0.000 0.862 222 Q CB -0.200 28.534 28.738 -0.006 0.000 0.905 222 Q HN 0.327 8.472 8.270 -0.009 0.119 0.429 223 A N -0.340 122.478 122.820 -0.003 0.000 1.933 223 A HA -0.241 4.077 4.320 -0.002 0.000 0.218 223 A C 2.115 179.698 177.584 -0.002 0.000 1.175 223 A CA 3.219 55.255 52.037 -0.002 0.000 0.628 223 A CB -0.880 18.119 19.000 -0.002 0.000 0.814 223 A HN -0.519 7.508 8.150 -0.004 0.121 0.444 224 V N -1.245 118.668 119.914 -0.002 0.000 2.307 224 V HA -0.493 3.995 4.120 -0.001 -0.369 0.245 224 V C 1.897 177.990 176.094 -0.001 0.000 1.045 224 V CA 3.696 65.995 62.300 -0.001 0.000 1.024 224 V CB -1.310 30.513 31.823 -0.001 0.000 0.651 224 V HN -0.255 7.824 8.190 -0.003 0.109 0.449 225 E N -0.004 120.195 120.200 -0.002 0.000 2.160 225 E HA -0.392 3.957 4.350 -0.002 0.000 0.195 225 E C 2.658 179.257 176.600 -0.002 0.000 0.991 225 E CA 3.315 59.714 56.400 -0.002 0.000 0.810 225 E CB -0.454 29.244 29.700 -0.003 0.000 0.742 225 E HN -0.036 8.322 8.360 -0.003 0.000 0.466 226 S N -1.059 114.640 115.700 -0.002 0.000 2.383 226 S HA -0.267 4.203 4.470 -0.001 0.000 0.227 226 S C 2.230 176.829 174.600 -0.001 0.000 1.026 226 S CA 3.443 61.642 58.200 -0.001 0.000 0.981 226 S CB -0.291 62.909 63.200 -0.001 0.000 0.818 226 S HN -0.109 8.081 8.310 -0.002 0.119 0.472 227 E N 1.320 121.520 120.200 -0.001 0.000 2.046 227 E HA -0.238 4.112 4.350 -0.000 0.000 0.190 227 E C 2.455 179.055 176.600 -0.000 0.000 0.982 227 E CA 3.006 59.406 56.400 -0.000 0.000 0.800 227 E CB 0.006 29.706 29.700 -0.000 0.000 0.756 227 E HN -0.664 7.574 8.360 -0.001 0.121 0.449 228 V N -4.052 115.862 119.914 -0.000 0.000 2.667 228 V HA -0.261 3.859 4.120 -0.000 0.000 0.252 228 V C 0.922 177.015 176.094 -0.000 0.000 1.065 228 V CA 3.151 65.451 62.300 -0.000 0.000 1.083 228 V CB -0.712 31.111 31.823 -0.000 0.000 0.692 228 V HN 0.078 8.268 8.190 -0.001 0.000 0.468 229 S N 0.762 116.461 115.700 -0.001 0.000 2.357 229 S HA -0.174 4.296 4.470 -0.001 0.000 0.221 229 S C 2.310 176.910 174.600 -0.000 0.000 1.031 229 S CA 2.724 60.923 58.200 -0.001 0.000 0.982 229 S CB 0.083 63.282 63.200 -0.001 0.000 0.853 229 S HN 0.118 8.205 8.310 -0.001 0.222 0.458 230 R N 1.418 121.918 120.500 -0.000 0.000 2.127 230 R HA -0.284 4.056 4.340 -0.000 0.000 0.238 230 R C 1.598 177.898 176.300 -0.000 0.000 1.134 230 R CA 2.950 59.050 56.100 -0.000 0.000 0.975 230 R CB -0.259 30.041 30.300 -0.000 0.000 0.865 230 R HN -0.110 8.043 8.270 -0.000 0.116 0.447 231 V N -0.975 118.939 119.914 -0.000 0.000 2.688 231 V HA -0.251 3.869 4.120 0.000 0.000 0.256 231 V C 0.334 176.428 176.094 -0.000 0.000 1.084 231 V CA 2.283 64.582 62.300 -0.000 0.000 1.103 231 V CB -0.074 31.749 31.823 0.000 0.000 0.688 231 V HN -0.607 7.473 8.190 -0.000 0.110 0.480 232 S N 0.000 115.700 115.700 -0.000 0.000 2.498 232 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 232 S CA 0.000 58.200 58.200 -0.000 0.000 1.107 232 S CB 0.000 63.200 63.200 -0.000 0.000 0.593 232 S HN 0.000 8.105 8.310 -0.000 0.205 0.517