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 2ka3_1_B DATA FIRST_RESID 846 DATA SEQUENCE PVPQVAFSAA LSLPRSEPGT VPFDRVLLND GGYYDPETGV FTAPLAGRYL DATA SEQUENCE LSAVLTGHRH EKVEAVLSRS NQGVARVDSG GXXXXXXXXX XXXXXXXXXX DATA SEQUENCE TLGVFSLILP LQAGDTVCVD LVMGQLAHSE EPLTIFSGAL LYGDPELEHA 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 846 P HA 0.000 4.407 4.420 -0.022 0.000 0.216 846 P C 0.000 177.276 177.300 -0.039 0.000 1.155 846 P CA 0.000 63.083 63.100 -0.028 0.000 0.800 846 P CB 0.000 31.688 31.700 -0.019 0.000 0.726 847 V N 0.941 120.838 119.914 -0.029 0.000 2.483 847 V HA 0.395 4.482 4.120 -0.055 0.000 0.297 847 V C -0.783 175.301 176.094 -0.017 0.000 1.027 847 V CA -0.954 61.326 62.300 -0.034 0.000 0.855 847 V CB 2.544 34.351 31.823 -0.027 0.000 0.995 847 V HN 0.020 8.199 8.190 -0.018 0.000 0.424 848 P HA 0.071 4.500 4.420 0.015 0.000 0.238 848 P C -0.958 176.350 177.300 0.014 0.000 1.183 848 P CA -0.084 63.018 63.100 0.003 0.000 0.813 848 P CB 0.569 32.266 31.700 -0.006 0.000 0.944 849 Q N -0.437 119.363 119.800 0.000 0.000 2.423 849 Q HA -0.253 4.084 4.340 -0.004 0.000 0.368 849 Q C -1.581 174.434 176.000 0.024 0.000 1.371 849 Q CA 0.324 56.132 55.803 0.008 0.000 1.106 849 Q CB -0.491 28.255 28.738 0.013 0.000 1.263 849 Q HN 0.085 8.301 8.270 -0.013 0.046 0.325 850 V N -0.075 119.840 119.914 0.002 0.000 2.555 850 V HA 0.256 4.580 4.120 0.079 -0.157 0.302 850 V C -2.026 174.059 176.094 -0.014 0.000 1.038 850 V CA -1.371 60.933 62.300 0.008 0.000 0.887 850 V CB 1.904 33.650 31.823 -0.128 0.000 0.991 850 V HN -0.375 7.803 8.190 -0.019 0.000 0.434 851 A N 5.027 127.864 122.820 0.029 0.000 2.515 851 A HA 0.530 4.656 4.320 -0.323 0.000 0.296 851 A C -2.134 175.472 177.584 0.036 0.000 1.094 851 A CA -1.427 50.543 52.037 -0.112 0.000 0.718 851 A CB 3.726 22.668 19.000 -0.097 0.000 1.307 851 A HN -0.125 8.271 8.150 0.118 -0.175 0.408 852 F N -5.626 114.332 119.950 0.014 0.000 2.596 852 F HA 0.766 5.520 4.527 0.132 -0.148 0.311 852 F C -2.207 173.666 175.800 0.122 0.000 1.116 852 F CA -1.579 56.479 58.000 0.098 0.000 0.957 852 F CB 3.110 42.189 39.000 0.131 0.000 1.250 852 F HN -0.237 7.502 8.300 -0.935 0.000 0.444 853 S N 1.080 116.945 115.700 0.275 0.000 2.584 853 S HA 0.311 5.099 4.470 0.280 -0.150 0.282 853 S C -2.325 172.407 174.600 0.220 0.000 1.138 853 S CA 0.129 58.457 58.200 0.213 0.000 0.987 853 S CB 1.540 64.789 63.200 0.082 0.000 1.137 853 S HN 0.157 8.638 8.310 0.284 0.000 0.457 854 A N 5.929 128.893 122.820 0.239 0.000 2.356 854 A HA 1.091 5.717 4.320 0.200 -0.187 0.323 854 A C -2.402 175.297 177.584 0.191 0.000 1.119 854 A CA -2.214 49.915 52.037 0.153 0.000 0.790 854 A CB 3.999 22.880 19.000 -0.198 0.000 1.273 854 A HN 0.228 8.579 8.150 0.334 0.000 0.452 855 A N -1.292 121.654 122.820 0.210 0.000 2.515 855 A HA 0.395 4.813 4.320 0.163 0.000 0.296 855 A C -2.764 174.925 177.584 0.175 0.000 1.094 855 A CA -1.015 51.124 52.037 0.170 0.000 0.718 855 A CB 3.508 22.582 19.000 0.124 0.000 1.307 855 A HN 0.527 8.722 8.150 0.257 0.110 0.408 856 L N -0.592 120.713 121.223 0.135 0.000 2.438 856 L HA 0.516 4.932 4.340 0.126 0.000 0.270 856 L C -1.369 175.552 176.870 0.084 0.000 0.972 856 L CA -0.091 54.821 54.840 0.120 0.000 0.831 856 L CB 1.964 44.100 42.059 0.129 0.000 1.273 856 L HN 0.169 8.470 8.230 0.118 0.000 0.405 857 S N 5.092 120.833 115.700 0.068 0.000 2.857 857 S HA 0.114 4.613 4.470 0.048 0.000 0.238 857 S C -0.877 173.747 174.600 0.040 0.000 0.875 857 S CA -0.293 57.938 58.200 0.051 0.000 1.368 857 S CB 0.930 64.158 63.200 0.046 0.000 1.238 857 S HN 0.581 8.932 8.310 0.069 0.000 0.635 858 L N 0.614 121.861 121.223 0.039 0.000 2.715 858 L HA -0.163 4.190 4.340 0.021 0.000 0.317 858 L C -0.889 175.996 176.870 0.025 0.000 1.263 858 L CA 0.749 55.605 54.840 0.028 0.000 0.860 858 L CB -0.495 41.581 42.059 0.029 0.000 1.103 858 L HN -0.398 7.861 8.230 0.049 0.000 0.522 859 P HA 0.062 4.493 4.420 0.018 0.000 0.217 859 P C -0.845 176.465 177.300 0.018 0.000 1.153 859 P CA 0.807 63.917 63.100 0.016 0.000 0.843 859 P CB 0.804 32.510 31.700 0.011 0.000 0.794 860 R N -3.200 117.310 120.500 0.017 0.000 2.741 860 R HA 0.155 4.507 4.340 0.021 0.000 0.274 860 R C -1.983 174.327 176.300 0.017 0.000 1.029 860 R CA -1.241 54.869 56.100 0.017 0.000 0.880 860 R CB 0.634 30.942 30.300 0.013 0.000 1.264 860 R HN -0.712 7.567 8.270 0.015 0.000 0.465 861 S N 1.232 116.942 115.700 0.017 0.000 4.474 861 S HA -0.306 4.175 4.470 0.018 0.000 0.535 861 S C -0.201 174.406 174.600 0.012 0.000 1.029 861 S CA 0.771 58.980 58.200 0.014 0.000 0.913 861 S CB 0.055 63.261 63.200 0.010 0.000 1.054 861 S HN 0.108 8.428 8.310 0.017 0.000 0.442 862 E N 7.203 127.411 120.200 0.014 0.000 2.250 862 E HA 0.260 4.615 4.350 0.009 0.000 0.265 862 E C -0.648 175.956 176.600 0.007 0.000 1.033 862 E CA -1.955 54.452 56.400 0.012 0.000 0.888 862 E CB 0.374 30.085 29.700 0.019 0.000 1.151 862 E HN 0.041 8.412 8.360 0.018 0.000 0.412 863 P HA 0.089 4.508 4.420 -0.000 0.000 0.235 863 P C -1.026 176.275 177.300 0.003 0.000 1.177 863 P CA 0.378 63.478 63.100 0.001 0.000 0.785 863 P CB 0.800 32.499 31.700 -0.002 0.000 0.885 864 G N 0.071 108.875 108.800 0.007 0.000 2.619 864 G HA2 0.012 3.978 3.960 0.009 0.000 0.146 864 G HA3 0.012 3.977 3.960 0.008 0.000 0.146 864 G C -1.929 172.982 174.900 0.018 0.000 1.192 864 G CA 0.015 45.121 45.100 0.010 0.000 1.063 864 G HN -0.574 7.689 8.290 0.010 0.033 0.538 865 T N 1.580 116.147 114.554 0.021 0.000 2.932 865 T HA -0.024 4.347 4.350 0.036 0.000 0.312 865 T C -0.418 174.303 174.700 0.035 0.000 1.071 865 T CA 1.250 63.368 62.100 0.031 0.000 1.128 865 T CB 0.436 69.321 68.868 0.029 0.000 0.984 865 T HN -0.155 8.094 8.240 0.016 0.000 0.549 866 V N 6.978 126.923 119.914 0.051 0.000 2.432 866 V HA 0.180 4.329 4.120 0.048 0.000 0.275 866 V C -0.864 175.280 176.094 0.084 0.000 1.043 866 V CA -2.528 59.809 62.300 0.062 0.000 0.925 866 V CB 0.838 32.705 31.823 0.073 0.000 0.985 866 V HN 0.100 8.323 8.190 0.056 0.000 0.466 867 P HA 0.232 4.764 4.420 0.187 0.000 0.348 867 P C -1.782 175.653 177.300 0.225 0.000 1.286 867 P CA -0.901 62.273 63.100 0.125 0.000 0.781 867 P CB 1.418 33.113 31.700 -0.008 0.000 1.688 868 F N -6.164 113.774 119.950 -0.020 0.000 2.596 868 F HA 0.361 4.896 4.527 0.014 0.000 0.311 868 F C -1.537 174.259 175.800 -0.007 0.000 1.116 868 F CA -2.025 55.973 58.000 -0.004 0.000 0.957 868 F CB 2.082 41.080 39.000 -0.004 0.000 1.250 868 F HN -0.212 7.944 8.300 -0.239 0.000 0.444 869 D N 1.060 121.454 120.400 -0.010 0.000 2.479 869 D HA 0.068 4.580 4.640 -0.212 0.000 0.216 869 D C 0.623 176.937 176.300 0.024 0.000 1.110 869 D CA 0.059 54.012 54.000 -0.078 0.000 0.841 869 D CB 0.811 41.584 40.800 -0.045 0.000 1.040 869 D HN 0.562 8.986 8.370 0.090 0.000 0.505 870 R N 1.262 121.846 120.500 0.140 0.000 2.522 870 R HA 0.327 4.727 4.340 0.100 0.000 0.290 870 R C -1.097 175.342 176.300 0.232 0.000 1.216 870 R CA -1.724 54.465 56.100 0.149 0.000 1.250 870 R CB -0.901 29.476 30.300 0.128 0.000 1.143 870 R HN -0.560 7.831 8.270 0.201 0.000 0.553 871 V N 4.847 124.888 119.914 0.213 0.000 2.377 871 V HA -0.265 4.034 4.120 0.299 0.000 0.254 871 V C -0.141 176.041 176.094 0.146 0.000 1.060 871 V CA 1.633 64.067 62.300 0.222 0.000 1.068 871 V CB -1.111 30.815 31.823 0.173 0.000 1.113 871 V HN 0.146 8.422 8.190 0.143 0.000 0.484 872 L N 9.180 130.489 121.223 0.142 0.000 2.202 872 L HA -0.023 4.368 4.340 0.085 0.000 0.205 872 L C 0.221 177.142 176.870 0.084 0.000 1.083 872 L CA 1.697 56.596 54.840 0.099 0.000 0.790 872 L CB 1.004 43.117 42.059 0.091 0.000 0.942 872 L HN 0.124 8.454 8.230 0.166 0.000 0.452 873 L N -3.103 118.179 121.223 0.098 0.000 2.705 873 L HA 0.207 4.600 4.340 0.087 0.000 0.260 873 L C -2.788 174.161 176.870 0.131 0.000 0.921 873 L CA 0.902 55.795 54.840 0.089 0.000 0.948 873 L CB 3.411 45.499 42.059 0.049 0.000 1.427 873 L HN -0.842 7.462 8.230 0.122 0.000 0.432 874 N N 4.282 123.079 118.700 0.161 0.000 3.565 874 N HA 0.123 5.285 4.740 0.311 -0.235 0.139 874 N C -0.179 175.456 175.510 0.207 0.000 1.179 874 N CA 0.292 53.484 53.050 0.236 0.000 1.876 874 N CB -0.279 38.350 38.487 0.236 0.000 1.640 874 N HN 0.198 8.659 8.380 0.135 0.000 0.702 875 D N 0.354 120.880 120.400 0.210 0.000 2.117 875 D HA -0.176 4.525 4.640 0.101 0.000 0.197 875 D C 0.759 177.106 176.300 0.079 0.000 0.987 875 D CA 2.428 56.514 54.000 0.143 0.000 0.829 875 D CB -0.254 40.630 40.800 0.141 0.000 0.961 875 D HN 0.098 8.605 8.370 0.227 0.000 0.460 876 G N -1.396 107.443 108.800 0.066 0.000 2.595 876 G HA2 -0.016 3.807 3.960 -0.228 0.000 0.213 876 G HA3 -0.016 3.452 3.960 -0.821 0.000 0.213 876 G C 0.313 174.943 174.900 -0.451 0.000 1.141 876 G CA -0.330 44.555 45.100 -0.359 0.000 0.806 876 G HN 0.277 8.790 8.290 0.372 0.000 0.530 877 G N -0.055 108.599 108.800 -0.244 0.000 3.211 877 G HA2 -0.323 3.680 3.960 -0.042 0.000 0.206 877 G HA3 -0.323 3.509 3.960 -0.214 0.000 0.206 877 G C -0.658 174.117 174.900 -0.210 0.000 1.418 877 G CA -0.100 44.895 45.100 -0.176 0.000 0.958 877 G HN -0.521 7.916 8.290 0.029 -0.129 0.567 878 Y N -1.188 118.985 120.300 -0.212 0.000 2.745 878 Y HA -0.528 3.888 4.550 -0.223 0.000 0.477 878 Y C -0.448 175.215 175.900 -0.396 0.000 1.099 878 Y CA 2.922 60.832 58.100 -0.317 0.000 2.900 878 Y CB -1.685 36.475 38.460 -0.500 0.000 1.080 878 Y HN -0.715 7.002 8.280 -0.830 0.066 0.599 879 Y N -0.992 118.947 120.300 -0.602 0.000 2.367 879 Y HA 0.274 4.717 4.550 -0.483 -0.183 0.342 879 Y C -0.830 174.802 175.900 -0.445 0.000 0.979 879 Y CA -2.914 54.781 58.100 -0.675 0.000 1.161 879 Y CB 0.745 38.435 38.460 -1.282 0.000 1.155 879 Y HN -0.638 7.490 8.280 -0.253 0.000 0.503 880 D N 5.846 125.969 120.400 -0.463 0.000 2.325 880 D HA 0.163 4.549 4.640 -0.424 0.000 0.251 880 D C -0.290 175.781 176.300 -0.382 0.000 1.196 880 D CA -2.570 51.204 54.000 -0.376 0.000 0.866 880 D CB 2.237 42.939 40.800 -0.163 0.000 1.101 880 D HN -0.277 7.929 8.370 -0.275 0.000 0.476 881 P HA 0.188 4.467 4.420 -0.236 0.000 0.267 881 P C -0.325 176.922 177.300 -0.088 0.000 1.289 881 P CA 0.144 63.063 63.100 -0.303 0.000 0.866 881 P CB 0.514 31.964 31.700 -0.416 0.000 1.309 882 E N -1.678 118.495 120.200 -0.045 0.000 2.086 882 E HA -0.099 4.272 4.350 0.035 0.000 0.190 882 E C 0.933 177.538 176.600 0.008 0.000 0.975 882 E CA 1.740 58.148 56.400 0.013 0.000 0.813 882 E CB 0.689 30.405 29.700 0.027 0.000 0.768 882 E HN -0.416 8.068 8.360 -0.073 -0.168 0.457 883 T N -6.613 107.935 114.554 -0.009 0.000 3.001 883 T HA 0.108 4.467 4.350 0.014 0.000 0.251 883 T C 0.398 175.103 174.700 0.007 0.000 1.040 883 T CA -0.590 61.512 62.100 0.003 0.000 0.985 883 T CB 1.359 70.226 68.868 -0.001 0.000 1.011 883 T HN -0.670 7.738 8.240 -0.028 -0.184 0.509 884 G N 1.185 109.976 108.800 -0.015 0.000 2.137 884 G HA2 -0.342 3.646 3.960 -0.022 0.000 0.237 884 G HA3 -0.342 3.641 3.960 0.039 0.000 0.237 884 G C -0.876 174.057 174.900 0.055 0.000 1.002 884 G CA 0.268 45.375 45.100 0.012 0.000 0.702 884 G HN -0.236 7.924 8.290 -0.056 0.097 0.515 885 V N 1.017 120.946 119.914 0.026 0.000 2.320 885 V HA 0.131 4.473 4.120 0.092 -0.167 0.265 885 V C -1.462 174.692 176.094 0.099 0.000 1.048 885 V CA -1.112 61.225 62.300 0.062 0.000 0.865 885 V CB 0.585 32.421 31.823 0.022 0.000 1.043 885 V HN -0.681 7.455 8.190 -0.021 0.042 0.474 886 F N 10.194 130.141 119.950 -0.005 0.000 2.361 886 F HA 0.304 4.840 4.527 0.015 0.000 0.364 886 F C -1.803 173.994 175.800 -0.004 0.000 1.120 886 F CA -2.288 55.711 58.000 -0.003 0.000 1.102 886 F CB 1.925 40.915 39.000 -0.017 0.000 1.183 886 F HN -0.261 8.208 8.300 0.282 0.000 0.476 887 T N 11.149 125.881 114.554 0.297 0.000 2.781 887 T HA 0.280 4.936 4.350 0.217 -0.176 0.305 887 T C -1.438 173.448 174.700 0.311 0.000 1.001 887 T CA -0.494 61.751 62.100 0.242 0.000 0.950 887 T CB 0.328 69.271 68.868 0.126 0.000 0.955 887 T HN 0.120 8.439 8.240 0.132 0.000 0.471 888 A N 7.402 130.413 122.820 0.317 0.000 2.279 888 A HA 0.496 4.929 4.320 0.189 0.000 0.306 888 A C -1.488 176.162 177.584 0.109 0.000 1.300 888 A CA -3.420 48.743 52.037 0.210 0.000 0.925 888 A CB 0.419 19.508 19.000 0.149 0.000 1.152 888 A HN 0.231 8.533 8.150 0.253 0.000 0.544 889 P HA 0.135 4.594 4.420 0.065 0.000 0.261 889 P C -0.404 176.915 177.300 0.032 0.000 1.268 889 P CA 0.889 64.028 63.100 0.065 0.000 0.833 889 P CB 0.159 31.916 31.700 0.096 0.000 1.231 890 L N -1.834 119.396 121.223 0.011 0.000 2.013 890 L HA -0.235 4.090 4.340 -0.025 0.000 0.212 890 L C 0.293 177.183 176.870 0.034 0.000 1.073 890 L CA 1.054 55.898 54.840 0.007 0.000 0.753 890 L CB -0.761 41.317 42.059 0.032 0.000 0.890 890 L HN -0.408 7.751 8.230 -0.001 0.070 0.432 891 A N -4.168 118.686 122.820 0.057 0.000 2.739 891 A HA -0.272 4.081 4.320 0.055 0.000 0.296 891 A C -0.600 177.016 177.584 0.052 0.000 1.488 891 A CA 0.047 52.114 52.037 0.049 0.000 0.746 891 A CB -0.715 18.303 19.000 0.030 0.000 1.047 891 A HN 0.284 8.476 8.150 0.070 0.000 0.477 892 G N -4.458 104.394 108.800 0.087 0.000 2.650 892 G HA2 0.348 4.672 3.960 0.110 0.000 0.310 892 G HA3 0.348 4.505 3.960 0.091 -0.142 0.310 892 G C -2.364 172.627 174.900 0.150 0.000 1.270 892 G CA -0.249 44.917 45.100 0.111 0.000 0.810 892 G HN -0.481 7.879 8.290 0.117 0.000 0.493 893 R N 1.967 122.582 120.500 0.192 0.000 2.221 893 R HA 0.288 4.683 4.340 0.092 0.000 0.327 893 R C -1.620 174.801 176.300 0.202 0.000 1.033 893 R CA -0.632 55.557 56.100 0.149 0.000 0.887 893 R CB 1.192 31.554 30.300 0.105 0.000 1.057 893 R HN -0.214 8.211 8.270 0.258 0.000 0.455 894 Y N 3.924 124.258 120.300 0.056 0.000 2.549 894 Y HA 0.227 4.806 4.550 0.048 0.000 0.339 894 Y C -2.324 173.593 175.900 0.028 0.000 1.053 894 Y CA -2.664 55.470 58.100 0.056 0.000 1.105 894 Y CB 2.580 41.107 38.460 0.112 0.000 1.258 894 Y HN 0.113 8.453 8.280 0.101 0.000 0.478 895 L N 2.698 123.988 121.223 0.112 0.000 2.276 895 L HA 0.357 4.610 4.340 -0.145 0.000 0.286 895 L C -1.971 174.869 176.870 -0.050 0.000 1.024 895 L CA -1.291 53.521 54.840 -0.047 0.000 0.826 895 L CB 2.173 44.234 42.059 0.003 0.000 1.211 895 L HN 0.270 8.684 8.230 0.306 0.000 0.422 896 L N 7.318 128.395 121.223 -0.245 0.000 2.317 896 L HA 0.328 4.699 4.340 0.051 0.000 0.281 896 L C -1.554 175.227 176.870 -0.148 0.000 1.024 896 L CA -0.371 54.359 54.840 -0.184 0.000 0.810 896 L CB 1.918 43.762 42.059 -0.359 0.000 1.240 896 L HN 0.294 8.351 8.230 -0.289 0.000 0.427 897 S N 5.353 120.946 115.700 -0.179 0.000 2.720 897 S HA 0.304 4.675 4.470 -0.165 0.000 0.278 897 S C -1.805 172.602 174.600 -0.321 0.000 1.172 897 S CA -0.830 57.254 58.200 -0.194 0.000 1.019 897 S CB 2.455 65.579 63.200 -0.128 0.000 1.049 897 S HN -0.186 8.010 8.310 -0.190 0.000 0.483 898 A N 4.888 127.532 122.820 -0.295 0.000 2.320 898 A HA 0.444 4.489 4.320 -0.458 0.000 0.334 898 A C -1.061 176.430 177.584 -0.154 0.000 1.147 898 A CA -1.441 50.409 52.037 -0.312 0.000 0.820 898 A CB 2.205 21.057 19.000 -0.246 0.000 1.218 898 A HN 0.221 8.241 8.150 -0.217 0.000 0.482 899 V N 1.209 121.065 119.914 -0.098 0.000 2.370 899 V HA 0.139 4.225 4.120 -0.057 0.000 0.283 899 V C -0.986 175.087 176.094 -0.036 0.000 1.023 899 V CA -0.466 61.804 62.300 -0.051 0.000 0.857 899 V CB 0.848 32.657 31.823 -0.024 0.000 0.985 899 V HN 0.025 8.159 8.190 -0.093 0.000 0.443 900 L N 7.931 129.128 121.223 -0.044 0.000 2.272 900 L HA 0.232 4.547 4.340 -0.042 0.000 0.289 900 L C -0.050 176.780 176.870 -0.067 0.000 1.032 900 L CA -1.157 53.655 54.840 -0.048 0.000 0.810 900 L CB -0.237 41.796 42.059 -0.042 0.000 1.205 900 L HN 0.311 8.513 8.230 -0.046 0.000 0.422 901 T N 5.935 120.419 114.554 -0.116 0.000 2.851 901 T HA 0.113 4.374 4.350 -0.148 0.000 0.298 901 T C 1.187 175.764 174.700 -0.203 0.000 0.977 901 T CA 0.315 62.286 62.100 -0.214 0.000 1.126 901 T CB 1.106 69.726 68.868 -0.413 0.000 0.916 901 T HN 0.309 8.486 8.240 -0.106 0.000 0.529 902 G N 3.953 112.686 108.800 -0.111 0.000 2.480 902 G HA2 -0.315 3.643 3.960 -0.003 0.000 0.216 902 G HA3 -0.315 3.662 3.960 0.029 0.000 0.216 902 G C -0.433 174.522 174.900 0.090 0.000 1.200 902 G CA 0.962 46.062 45.100 -0.001 0.000 0.782 902 G HN 0.347 8.581 8.290 -0.094 0.000 0.554 903 H N -0.440 118.656 119.070 0.043 0.000 2.252 903 H HA -0.218 4.381 4.556 0.070 0.000 0.314 903 H C 0.924 176.294 175.328 0.070 0.000 0.918 903 H CA -0.484 55.602 56.048 0.064 0.000 1.042 903 H CB -0.644 29.159 29.762 0.070 0.000 1.604 903 H HN 0.139 8.556 8.280 0.228 0.000 0.331 904 R N -0.461 120.145 120.500 0.177 0.000 2.316 904 R HA -0.227 4.164 4.340 0.086 0.000 0.202 904 R C 0.019 176.373 176.300 0.091 0.000 1.029 904 R CA 1.453 57.617 56.100 0.106 0.000 1.018 904 R CB -0.309 30.036 30.300 0.076 0.000 0.888 904 R HN 0.263 8.640 8.270 0.177 0.000 0.471 905 H N 0.477 119.556 119.070 0.015 0.000 2.546 905 H HA -0.061 4.483 4.556 -0.021 0.000 0.277 905 H C -0.523 174.799 175.328 -0.010 0.000 1.004 905 H CA 0.818 56.854 56.048 -0.020 0.000 1.231 905 H CB 0.059 29.778 29.762 -0.071 0.000 1.382 905 H HN -0.265 8.088 8.280 0.220 0.059 0.580 906 E N -3.870 116.322 120.200 -0.014 0.000 6.044 906 E HA -0.081 4.312 4.350 -0.006 -0.046 0.553 906 E C -1.828 174.794 176.600 0.036 0.000 1.446 906 E CA -0.009 56.372 56.400 -0.032 0.000 3.049 906 E CB -0.329 29.308 29.700 -0.106 0.000 0.781 906 E HN -0.679 7.632 8.360 0.069 0.090 0.262 907 K N -1.849 118.567 120.400 0.027 0.000 3.705 907 K HA -0.190 4.147 4.320 0.029 0.000 0.867 907 K C -2.284 174.345 176.600 0.049 0.000 1.938 907 K CA 0.051 56.365 56.287 0.045 0.000 1.526 907 K CB 0.422 32.966 32.500 0.073 0.000 3.306 907 K HN 0.069 8.321 8.250 0.004 0.000 0.138 908 V N 4.162 124.098 119.914 0.036 0.000 2.407 908 V HA 0.057 4.195 4.120 0.029 0.000 0.278 908 V C -1.034 175.082 176.094 0.036 0.000 1.037 908 V CA -0.608 61.709 62.300 0.029 0.000 0.900 908 V CB 0.861 32.694 31.823 0.017 0.000 0.983 908 V HN 0.410 8.618 8.190 0.031 0.000 0.459 909 E N 8.620 128.842 120.200 0.035 0.000 2.145 909 E HA 0.276 4.650 4.350 0.040 0.000 0.270 909 E C -2.313 174.297 176.600 0.016 0.000 0.906 909 E CA -1.417 55.004 56.400 0.035 0.000 0.761 909 E CB 2.872 32.600 29.700 0.046 0.000 1.116 909 E HN 0.011 8.391 8.360 0.033 0.000 0.408 910 A N 6.425 129.254 122.820 0.014 0.000 2.357 910 A HA 0.473 4.783 4.320 -0.017 0.000 0.295 910 A C -2.311 175.277 177.584 0.008 0.000 1.121 910 A CA -1.193 50.844 52.037 -0.001 0.000 0.742 910 A CB 2.806 21.803 19.000 -0.005 0.000 1.181 910 A HN 0.022 8.186 8.150 0.024 0.000 0.454 911 V N 5.984 125.898 119.914 -0.000 0.000 2.389 911 V HA 0.032 4.175 4.120 0.039 0.000 0.264 911 V C -0.618 175.476 176.094 -0.001 0.000 1.049 911 V CA -0.468 61.844 62.300 0.020 0.000 0.932 911 V CB 0.398 32.247 31.823 0.043 0.000 1.011 911 V HN 0.165 8.341 8.190 -0.023 0.000 0.475 912 L N 7.891 129.124 121.223 0.016 0.000 2.485 912 L HA 0.170 4.721 4.340 0.003 -0.209 0.275 912 L C -0.051 176.832 176.870 0.022 0.000 1.207 912 L CA 0.403 55.252 54.840 0.015 0.000 0.855 912 L CB -0.057 42.016 42.059 0.025 0.000 1.114 912 L HN -0.269 7.978 8.230 0.029 0.000 0.485 913 S N 0.856 116.570 115.700 0.024 0.000 2.532 913 S HA 0.273 4.771 4.470 0.047 0.000 0.301 913 S C -1.711 172.920 174.600 0.050 0.000 1.083 913 S CA -2.078 56.151 58.200 0.048 0.000 1.025 913 S CB 1.822 65.075 63.200 0.088 0.000 1.056 913 S HN -0.163 8.160 8.310 0.020 0.000 0.494 914 R N 4.945 125.475 120.500 0.050 0.000 2.438 914 R HA 0.119 4.480 4.340 0.036 0.000 0.287 914 R C 0.227 176.551 176.300 0.040 0.000 1.077 914 R CA 0.697 56.820 56.100 0.039 0.000 1.034 914 R CB 0.042 30.360 30.300 0.029 0.000 0.993 914 R HN 0.412 8.713 8.270 0.051 0.000 0.459 915 S N 1.694 117.414 115.700 0.032 0.000 1.830 915 S HA -0.153 4.331 4.470 0.023 0.000 0.248 915 S C -0.664 173.953 174.600 0.028 0.000 1.098 915 S CA 1.265 59.481 58.200 0.027 0.000 1.269 915 S CB -0.389 62.825 63.200 0.024 0.000 1.554 915 S HN 0.623 8.951 8.310 0.030 0.000 0.560 916 N N -1.018 117.702 118.700 0.033 0.000 2.200 916 N HA 0.174 4.930 4.740 0.026 0.000 0.233 916 N C -0.944 174.583 175.510 0.028 0.000 1.236 916 N CA 0.318 53.387 53.050 0.031 0.000 0.845 916 N CB 1.799 40.311 38.487 0.041 0.000 1.257 916 N HN -0.236 8.103 8.380 0.038 0.064 0.472 917 Q N -2.008 117.809 119.800 0.028 0.000 1.479 917 Q HA -0.338 4.101 4.340 0.024 -0.085 0.072 917 Q C -0.348 175.665 176.000 0.020 0.000 1.246 917 Q CA 0.565 56.382 55.803 0.023 0.000 0.195 917 Q CB -0.313 28.436 28.738 0.019 0.000 5.079 917 Q HN -0.479 7.810 8.270 0.032 0.000 0.297 918 G N -2.815 105.993 108.800 0.013 0.000 2.583 918 G HA2 -0.390 3.571 3.960 0.001 0.000 0.292 918 G HA3 -0.390 3.574 3.960 0.006 0.000 0.292 918 G C -1.234 173.664 174.900 -0.003 0.000 1.203 918 G CA 0.144 45.246 45.100 0.005 0.000 0.987 918 G HN 0.223 8.521 8.290 0.013 0.000 0.554 919 V N -1.297 118.611 119.914 -0.009 0.000 5.775 919 V HA -0.503 3.772 4.120 -0.028 -0.172 0.276 919 V C -1.367 174.659 176.094 -0.113 0.000 0.650 919 V CA -0.037 62.247 62.300 -0.027 0.000 0.954 919 V CB -1.344 30.509 31.823 0.050 0.000 1.077 919 V HN 0.100 8.288 8.190 -0.003 0.000 0.455 920 A N 2.383 125.118 122.820 -0.141 0.000 2.269 920 A HA 0.479 4.958 4.320 -0.136 -0.240 0.302 920 A C -0.072 177.325 177.584 -0.311 0.000 1.266 920 A CA -1.161 50.777 52.037 -0.165 0.000 0.894 920 A CB 1.021 19.961 19.000 -0.100 0.000 1.147 920 A HN -0.096 7.990 8.150 -0.105 0.000 0.537 921 R N 3.492 123.754 120.500 -0.398 0.000 2.167 921 R HA 0.157 4.100 4.340 -0.900 -0.143 0.201 921 R C 0.391 176.493 176.300 -0.331 0.000 1.024 921 R CA 0.615 56.324 56.100 -0.651 0.000 1.053 921 R CB 1.145 30.945 30.300 -0.834 0.000 0.987 921 R HN -0.336 7.767 8.270 -0.279 0.000 0.493 922 V N 2.893 122.699 119.914 -0.179 0.000 2.184 922 V HA 0.041 4.095 4.120 -0.110 0.000 0.262 922 V C -2.087 173.959 176.094 -0.079 0.000 1.209 922 V CA -0.883 61.358 62.300 -0.098 0.000 1.070 922 V CB -0.732 31.075 31.823 -0.027 0.000 1.244 922 V HN -0.282 7.816 8.190 -0.153 0.000 0.477 923 D N 4.929 125.271 120.400 -0.097 0.000 2.198 923 D HA 0.164 4.768 4.640 -0.059 0.000 0.245 923 D C -0.861 175.413 176.300 -0.044 0.000 1.079 923 D CA -0.151 53.806 54.000 -0.071 0.000 0.854 923 D CB 1.537 42.285 40.800 -0.088 0.000 1.148 923 D HN -0.324 7.947 8.370 -0.121 0.026 0.456 924 S N 6.922 122.608 115.700 -0.022 0.000 2.736 924 S HA 0.277 4.739 4.470 -0.013 0.000 0.285 924 S C -1.192 173.410 174.600 0.003 0.000 1.163 924 S CA -0.424 57.771 58.200 -0.008 0.000 1.025 924 S CB 1.772 64.973 63.200 0.001 0.000 1.030 924 S HN 0.016 8.315 8.310 -0.019 0.000 0.486 925 G N 5.680 114.481 108.800 0.001 0.000 3.058 925 G HA2 0.258 4.224 3.960 0.010 0.000 0.316 925 G HA3 0.258 4.218 3.960 0.000 0.000 0.316 925 G C -0.168 174.741 174.900 0.015 0.000 0.951 925 G CA -0.672 44.432 45.100 0.006 0.000 1.535 925 G HN 0.382 8.670 8.290 -0.004 0.000 0.500 947 L N 2.941 124.182 121.223 0.030 0.000 2.341 947 L HA 0.310 4.677 4.340 0.045 0.000 0.278 947 L C -0.878 176.016 176.870 0.039 0.000 1.005 947 L CA -0.231 54.630 54.840 0.034 0.000 0.818 947 L CB 1.076 43.146 42.059 0.019 0.000 1.259 947 L HN -0.409 7.835 8.230 0.023 0.000 0.418 948 G N 2.061 110.896 108.800 0.059 0.000 2.672 948 G HA2 0.388 4.376 3.960 0.046 0.000 0.292 948 G HA3 0.388 4.420 3.960 0.120 0.000 0.292 948 G C -2.877 172.048 174.900 0.042 0.000 1.375 948 G CA -0.460 44.684 45.100 0.073 0.000 0.890 948 G HN 0.054 8.386 8.290 0.071 0.000 0.476 949 V N -2.487 117.437 119.914 0.018 0.000 2.495 949 V HA 0.691 4.794 4.120 -0.246 -0.130 0.298 949 V C -1.439 174.650 176.094 -0.008 0.000 1.031 949 V CA -1.709 60.534 62.300 -0.096 0.000 0.871 949 V CB 1.713 33.481 31.823 -0.093 0.000 0.988 949 V HN 0.038 8.253 8.190 0.041 0.000 0.432 950 F N 3.466 123.397 119.950 -0.033 0.000 2.599 950 F HA 0.460 4.963 4.527 -0.040 0.000 0.311 950 F C -1.057 174.711 175.800 -0.053 0.000 1.076 950 F CA -1.673 56.301 58.000 -0.043 0.000 0.937 950 F CB 2.203 41.173 39.000 -0.050 0.000 1.282 950 F HN -0.170 7.600 8.300 -0.883 0.000 0.460 951 S N -0.823 114.951 115.700 0.123 0.000 2.665 951 S HA 0.135 4.578 4.470 -0.045 0.000 0.240 951 S C 0.473 175.119 174.600 0.076 0.000 1.081 951 S CA 0.631 58.850 58.200 0.033 0.000 0.887 951 S CB 1.046 64.235 63.200 -0.019 0.000 0.805 951 S HN 0.177 8.574 8.310 0.144 0.000 0.486 952 L N 1.352 122.620 121.223 0.075 0.000 2.084 952 L HA 0.030 4.357 4.340 -0.021 0.000 0.202 952 L C -0.633 176.223 176.870 -0.023 0.000 1.074 952 L CA 1.422 56.265 54.840 0.006 0.000 0.757 952 L CB 0.259 42.311 42.059 -0.012 0.000 0.918 952 L HN -0.382 7.900 8.230 0.088 0.000 0.444 953 I N -6.096 114.458 120.570 -0.025 0.000 3.432 953 I HA 0.026 4.108 4.170 -0.147 0.000 0.291 953 I C -0.841 175.141 176.117 -0.225 0.000 1.127 953 I CA -0.508 60.702 61.300 -0.150 0.000 0.962 953 I CB 0.726 38.600 38.000 -0.210 0.000 1.550 953 I HN -0.742 7.470 8.210 0.002 0.000 0.736 954 L N -3.623 117.379 121.223 -0.368 0.000 2.487 954 L HA 0.560 4.689 4.340 -0.352 0.000 0.261 954 L C -2.848 173.816 176.870 -0.345 0.000 1.223 954 L CA -2.334 52.300 54.840 -0.344 0.000 0.883 954 L CB -0.634 41.248 42.059 -0.296 0.000 1.065 954 L HN -0.171 7.863 8.230 -0.327 0.000 0.488 955 P HA 0.205 4.508 4.420 -0.196 0.000 0.268 955 P C -1.707 175.511 177.300 -0.136 0.000 1.485 955 P CA -0.223 62.707 63.100 -0.284 0.000 1.102 955 P CB -0.820 30.679 31.700 -0.336 0.000 1.501 956 L N 3.537 124.717 121.223 -0.072 0.000 2.362 956 L HA 0.324 4.656 4.340 -0.014 0.000 0.271 956 L C -0.591 176.273 176.870 -0.009 0.000 1.002 956 L CA -1.402 53.422 54.840 -0.026 0.000 0.818 956 L CB 3.045 45.090 42.059 -0.023 0.000 1.298 956 L HN -0.504 7.683 8.230 -0.072 0.000 0.420 957 Q N 0.997 120.798 119.800 0.001 0.000 2.221 957 Q HA 0.235 4.580 4.340 0.008 0.000 0.242 957 Q C -0.304 175.710 176.000 0.023 0.000 0.940 957 Q CA -1.683 54.127 55.803 0.011 0.000 0.896 957 Q CB 1.559 30.305 28.738 0.013 0.000 1.226 957 Q HN 0.108 8.379 8.270 0.002 0.000 0.463 958 A N 0.720 123.556 122.820 0.028 0.000 2.451 958 A HA -0.028 4.455 4.320 0.045 -0.137 0.266 958 A C 1.036 178.644 177.584 0.039 0.000 1.119 958 A CA 0.572 52.632 52.037 0.037 0.000 0.786 958 A CB -0.690 18.330 19.000 0.033 0.000 1.061 958 A HN 0.306 8.469 8.150 0.023 0.000 0.503 959 G N 4.437 113.269 108.800 0.053 0.000 2.217 959 G HA2 -0.440 3.562 3.960 0.070 0.000 0.246 959 G HA3 -0.440 3.547 3.960 0.046 0.000 0.246 959 G C -0.573 174.360 174.900 0.055 0.000 0.990 959 G CA -0.191 44.943 45.100 0.056 0.000 0.627 959 G HN 0.329 8.656 8.290 0.062 0.000 0.522 960 D N 0.611 121.039 120.400 0.046 0.000 2.393 960 D HA -0.056 4.608 4.640 0.040 0.000 0.246 960 D C -1.389 174.944 176.300 0.054 0.000 1.275 960 D CA 1.702 55.726 54.000 0.041 0.000 0.979 960 D CB 1.207 42.024 40.800 0.028 0.000 1.101 960 D HN -0.840 7.449 8.370 0.040 0.105 0.505 961 T N -0.225 114.359 114.554 0.049 0.000 2.991 961 T HA 0.739 5.414 4.350 0.104 -0.263 0.303 961 T C -1.074 173.660 174.700 0.057 0.000 1.015 961 T CA -0.955 61.188 62.100 0.071 0.000 1.007 961 T CB 2.269 71.177 68.868 0.067 0.000 1.034 961 T HN -0.023 8.241 8.240 0.040 0.000 0.446 962 V N 0.581 120.537 119.914 0.070 0.000 2.716 962 V HA 0.349 4.499 4.120 0.049 0.000 0.304 962 V C -2.239 173.906 176.094 0.085 0.000 1.053 962 V CA -1.932 60.406 62.300 0.063 0.000 0.984 962 V CB 1.718 33.570 31.823 0.048 0.000 1.021 962 V HN -0.132 8.122 8.190 0.106 0.000 0.467 963 C N 2.289 121.630 119.300 0.069 0.000 2.686 963 C HA 0.260 4.762 4.460 0.070 0.000 0.318 963 C C -1.495 173.531 174.990 0.061 0.000 1.160 963 C CA -2.079 56.977 59.018 0.063 0.000 1.396 963 C CB 2.371 30.139 27.740 0.047 0.000 1.924 963 C HN -0.163 8.102 8.230 0.058 0.000 0.471 964 V N 6.764 126.717 119.914 0.065 0.000 2.432 964 V HA 0.034 4.193 4.120 0.065 0.000 0.275 964 V C -1.508 174.616 176.094 0.051 0.000 1.043 964 V CA 0.256 62.595 62.300 0.066 0.000 0.925 964 V CB 0.641 32.513 31.823 0.081 0.000 0.985 964 V HN 0.564 8.793 8.190 0.064 0.000 0.466 965 D N 7.327 127.753 120.400 0.043 0.000 2.217 965 D HA 0.155 4.817 4.640 0.036 0.000 0.243 965 D C -2.088 174.236 176.300 0.041 0.000 1.054 965 D CA -0.730 53.292 54.000 0.037 0.000 0.838 965 D CB 3.009 43.826 40.800 0.028 0.000 1.162 965 D HN -0.229 8.166 8.370 0.041 0.000 0.472 966 L N 5.587 126.835 121.223 0.042 0.000 2.488 966 L HA 0.431 4.916 4.340 0.049 -0.115 0.250 966 L C -1.915 174.980 176.870 0.041 0.000 1.280 966 L CA -0.410 54.458 54.840 0.048 0.000 0.929 966 L CB 0.613 42.707 42.059 0.057 0.000 1.200 966 L HN 0.433 8.687 8.230 0.039 0.000 0.495 967 V N 3.117 123.053 119.914 0.035 0.000 2.735 967 V HA 0.273 4.412 4.120 0.032 0.000 0.276 967 V C -1.652 174.459 176.094 0.027 0.000 1.083 967 V CA 0.334 62.652 62.300 0.030 0.000 0.923 967 V CB 1.688 33.526 31.823 0.025 0.000 1.053 967 V HN -0.282 8.047 8.190 0.034 -0.120 0.471 968 M N 5.697 125.314 119.600 0.029 0.000 2.769 968 M HA 0.184 4.675 4.480 0.019 0.000 0.309 968 M C -0.912 175.402 176.300 0.023 0.000 1.427 968 M CA -0.406 54.908 55.300 0.024 0.000 0.657 968 M CB 1.508 34.122 32.600 0.023 0.000 1.947 968 M HN 0.465 8.775 8.290 0.033 0.000 0.396 969 G N 1.084 109.897 108.800 0.021 0.000 2.742 969 G HA2 -0.251 3.719 3.960 0.016 0.000 0.686 969 G HA3 -0.251 3.721 3.960 0.020 0.000 0.686 969 G C -1.343 173.571 174.900 0.025 0.000 1.220 969 G CA -0.267 44.846 45.100 0.020 0.000 0.783 969 G HN -0.333 7.969 8.290 0.020 0.000 0.646 970 Q N 0.297 120.110 119.800 0.022 0.000 2.246 970 Q HA 0.080 4.435 4.340 0.024 0.000 0.222 970 Q C -0.551 175.465 176.000 0.027 0.000 0.851 970 Q CA 0.138 55.955 55.803 0.023 0.000 0.945 970 Q CB 0.579 29.327 28.738 0.017 0.000 1.122 970 Q HN 0.131 8.413 8.270 0.019 0.000 0.508 971 L N 0.977 122.218 121.223 0.031 0.000 2.397 971 L HA 0.196 4.560 4.340 0.040 0.000 0.263 971 L C -1.209 175.698 176.870 0.060 0.000 1.136 971 L CA -0.613 54.250 54.840 0.039 0.000 1.019 971 L CB -1.497 40.580 42.059 0.030 0.000 1.352 971 L HN -0.432 7.814 8.230 0.027 0.000 0.420 972 A N 4.508 127.375 122.820 0.078 0.000 2.507 972 A HA 0.282 4.692 4.320 0.150 0.000 0.284 972 A C -1.438 176.239 177.584 0.154 0.000 1.281 972 A CA -0.650 51.459 52.037 0.119 0.000 0.744 972 A CB 1.381 20.433 19.000 0.088 0.000 1.332 972 A HN -0.372 7.814 8.150 0.060 0.000 0.454 973 H N -0.801 118.292 119.070 0.039 0.000 2.731 973 H HA 0.246 4.800 4.556 -0.004 0.000 0.368 973 H C -0.872 174.435 175.328 -0.034 0.000 1.168 973 H CA -0.652 55.388 56.048 -0.013 0.000 1.181 973 H CB 2.245 31.958 29.762 -0.081 0.000 1.743 973 H HN 0.007 8.408 8.280 0.202 0.000 0.547 974 S N 1.993 117.457 115.700 -0.394 0.000 2.513 974 S HA 0.114 4.518 4.470 -0.109 0.000 0.276 974 S C -1.076 173.468 174.600 -0.094 0.000 1.254 974 S CA 0.100 58.176 58.200 -0.207 0.000 1.053 974 S CB 0.050 63.108 63.200 -0.238 0.000 0.958 974 S HN 0.208 7.891 8.310 -1.046 0.000 0.491 975 E N 3.781 123.963 120.200 -0.030 0.000 2.390 975 E HA 0.117 4.471 4.350 0.008 0.000 0.280 975 E C -2.257 174.366 176.600 0.038 0.000 0.992 975 E CA -0.147 56.254 56.400 0.002 0.000 0.790 975 E CB 1.977 31.651 29.700 -0.043 0.000 1.248 975 E HN 0.179 8.526 8.360 -0.021 0.000 0.447 976 E N 3.071 123.307 120.200 0.061 0.000 2.220 976 E HA 0.441 4.839 4.350 0.081 0.000 0.256 976 E C -2.209 174.456 176.600 0.109 0.000 0.881 976 E CA -2.425 54.021 56.400 0.076 0.000 0.766 976 E CB 0.319 30.049 29.700 0.051 0.000 1.187 976 E HN 0.073 8.468 8.360 0.058 0.000 0.419 977 P HA 0.165 4.667 4.420 0.136 0.000 0.286 977 P C -1.391 175.955 177.300 0.077 0.000 1.292 977 P CA -0.768 62.407 63.100 0.125 0.000 0.842 977 P CB 1.090 32.862 31.700 0.119 0.000 1.207 978 L N 0.026 121.280 121.223 0.052 0.000 2.346 978 L HA 0.456 4.838 4.340 0.069 0.000 0.276 978 L C -0.271 176.630 176.870 0.051 0.000 1.006 978 L CA -0.670 54.204 54.840 0.057 0.000 0.817 978 L CB 1.141 43.232 42.059 0.053 0.000 1.272 978 L HN 0.119 8.370 8.230 0.034 0.000 0.421 979 T N -0.428 114.175 114.554 0.081 0.000 2.916 979 T HA 0.201 4.591 4.350 0.066 0.000 0.298 979 T C -1.285 173.494 174.700 0.131 0.000 1.031 979 T CA -0.944 61.213 62.100 0.096 0.000 0.993 979 T CB 2.543 71.485 68.868 0.123 0.000 1.045 979 T HN -0.101 8.196 8.240 0.096 0.000 0.454 980 I N 1.890 122.533 120.570 0.122 0.000 2.433 980 I HA 0.170 4.445 4.170 0.174 0.000 0.292 980 I C -2.337 173.886 176.117 0.176 0.000 1.001 980 I CA -1.493 59.892 61.300 0.142 0.000 1.119 980 I CB 1.404 39.455 38.000 0.084 0.000 1.289 980 I HN 0.306 8.567 8.210 0.085 0.000 0.438 981 F N 8.713 128.729 119.950 0.110 0.000 2.500 981 F HA 0.393 4.974 4.527 0.089 0.000 0.349 981 F C -2.010 173.853 175.800 0.105 0.000 1.127 981 F CA -1.241 56.831 58.000 0.120 0.000 0.998 981 F CB 2.292 41.415 39.000 0.205 0.000 1.237 981 F HN -0.171 8.340 8.300 0.350 0.000 0.439 982 S N 5.274 120.988 115.700 0.025 0.000 2.690 982 S HA 0.431 4.979 4.470 0.130 0.000 0.291 982 S C -1.009 173.592 174.600 0.001 0.000 1.138 982 S CA -1.291 56.931 58.200 0.037 0.000 1.013 982 S CB 2.048 65.230 63.200 -0.030 0.000 1.053 982 S HN -0.279 7.910 8.310 -0.202 0.000 0.539 983 G N -2.455 106.268 108.800 -0.130 0.000 1.984 983 G HA2 0.107 4.288 3.960 0.124 0.000 0.313 983 G HA3 0.107 4.162 3.960 0.159 0.000 0.313 983 G C -3.169 171.229 174.900 -0.837 0.000 1.632 983 G CA 0.812 45.824 45.100 -0.147 0.000 0.963 983 G HN -0.249 7.897 8.290 -0.240 0.000 0.595 984 A N 4.269 126.908 122.820 -0.301 0.000 2.355 984 A HA 0.499 4.448 4.320 -0.618 0.000 0.324 984 A C -2.398 175.132 177.584 -0.090 0.000 1.117 984 A CA -2.171 49.665 52.037 -0.336 0.000 0.785 984 A CB 3.854 22.756 19.000 -0.163 0.000 1.254 984 A HN 0.356 8.498 8.150 -0.013 0.000 0.453 985 L N 1.735 122.887 121.223 -0.118 0.000 2.418 985 L HA 0.019 4.430 4.340 0.119 0.000 0.274 985 L C -0.919 175.985 176.870 0.056 0.000 1.135 985 L CA 1.159 56.011 54.840 0.020 0.000 0.870 985 L CB 0.402 42.454 42.059 -0.012 0.000 1.154 985 L HN 0.335 8.443 8.230 -0.203 0.000 0.462 986 L N 8.567 129.865 121.223 0.124 0.000 2.265 986 L HA 0.241 4.634 4.340 0.089 0.000 0.195 986 L C -0.945 176.041 176.870 0.192 0.000 1.083 986 L CA 1.120 56.036 54.840 0.127 0.000 0.798 986 L CB 1.682 43.814 42.059 0.122 0.000 0.989 986 L HN 0.162 8.500 8.230 0.181 0.000 0.472 987 Y N -0.847 119.476 120.300 0.040 0.000 2.373 987 Y HA 0.191 4.754 4.550 0.021 0.000 0.336 987 Y C -1.602 174.321 175.900 0.037 0.000 0.979 987 Y CA -0.942 57.176 58.100 0.029 0.000 1.080 987 Y CB 3.262 41.734 38.460 0.021 0.000 1.190 987 Y HN -0.197 8.236 8.280 0.254 0.000 0.446 988 G N 3.692 112.280 108.800 -0.354 0.000 2.322 988 G HA2 0.004 3.893 3.960 -0.118 0.000 0.309 988 G HA3 0.004 3.817 3.960 -0.245 0.000 0.309 988 G C -1.099 173.484 174.900 -0.529 0.000 1.121 988 G CA -0.988 43.939 45.100 -0.288 0.000 0.886 988 G HN 0.076 8.028 8.290 -0.563 0.000 0.447 989 D N 3.943 124.218 120.400 -0.208 0.000 2.417 989 D HA 0.043 4.652 4.640 -0.051 0.000 0.250 989 D C -0.915 175.314 176.300 -0.118 0.000 1.166 989 D CA -1.292 52.651 54.000 -0.095 0.000 0.881 989 D CB 0.621 41.449 40.800 0.047 0.000 1.164 989 D HN -0.052 8.267 8.370 -0.085 0.000 0.467 990 P HA 0.400 4.764 4.420 -0.094 0.000 0.213 990 P C -0.355 176.926 177.300 -0.032 0.000 1.840 990 P CA -0.649 62.405 63.100 -0.077 0.000 1.192 990 P CB -0.243 31.410 31.700 -0.077 0.000 1.717 991 E N 1.720 121.899 120.200 -0.035 0.000 4.079 991 E HA -0.451 3.878 4.350 -0.035 0.000 0.188 991 E C -0.490 176.091 176.600 -0.031 0.000 1.200 991 E CA 1.800 58.175 56.400 -0.041 0.000 2.371 991 E CB -1.465 28.196 29.700 -0.064 0.000 1.792 991 E HN -0.011 8.326 8.360 -0.038 0.000 0.412 992 L N -1.747 119.455 121.223 -0.035 0.000 3.742 992 L HA -0.323 4.009 4.340 -0.013 0.000 0.431 992 L C -1.238 175.613 176.870 -0.033 0.000 1.220 992 L CA 0.296 55.135 54.840 -0.001 0.000 0.863 992 L CB -1.865 40.243 42.059 0.082 0.000 1.751 992 L HN -0.206 7.928 8.230 -0.036 0.074 0.922 993 E N -1.107 118.990 120.200 -0.173 0.000 2.171 993 E HA 0.149 4.491 4.350 -0.014 0.000 0.271 993 E C -0.980 175.410 176.600 -0.348 0.000 0.916 993 E CA -0.651 55.668 56.400 -0.135 0.000 0.774 993 E CB 2.065 31.718 29.700 -0.079 0.000 1.128 993 E HN -0.251 7.955 8.360 -0.196 0.037 0.403 994 H N 2.245 121.320 119.070 0.009 0.000 2.970 994 H HA 0.209 4.769 4.556 0.007 0.000 0.315 994 H C -0.401 174.930 175.328 0.006 0.000 0.992 994 H CA -0.183 55.870 56.048 0.007 0.000 1.363 994 H CB 0.219 29.985 29.762 0.007 0.000 1.532 994 H HN 0.438 8.791 8.280 0.122 0.000 0.514 995 A N 0.000 122.863 122.820 0.072 0.000 2.254 995 A HA 0.000 4.338 4.320 0.030 0.000 0.244 995 A CA 0.000 52.066 52.037 0.048 0.000 0.836 995 A CB 0.000 19.033 19.000 0.055 0.000 0.831 995 A HN 0.000 8.171 8.150 0.036 0.000 0.486