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 1wjw_1_A DATA FIRST_RESID 1 DATA SEQUENCE GSSGSSGAIY VDLPNRQLKV KVADRRVIST TDAERQAVTP PGLQEAINDL DATA SEQUENCE VKKYTLARAF VRPSGTEDIV RVYAEANSQE SADRLAYEVS LLVFQLAGGI DATA SEQUENCE GERPQPSGPS SG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 1 G C 0.000 174.899 174.900 -0.002 0.000 0.946 1 G CA 0.000 45.099 45.100 -0.001 0.000 0.502 2 S N -1.039 114.660 115.700 -0.002 0.000 2.622 2 S HA 0.605 5.073 4.470 -0.003 0.000 0.275 2 S C -1.130 173.468 174.600 -0.002 0.000 1.112 2 S CA -0.489 57.709 58.200 -0.002 0.000 0.837 2 S CB 1.435 64.634 63.200 -0.002 0.000 1.082 2 S HN 1.177 9.486 8.310 -0.002 0.000 0.456 3 S N 0.343 116.041 115.700 -0.003 0.000 2.556 3 S HA 0.808 5.276 4.470 -0.003 0.000 0.271 3 S C -0.854 173.743 174.600 -0.004 0.000 1.135 3 S CA -1.277 56.921 58.200 -0.004 0.000 0.858 3 S CB 1.907 65.104 63.200 -0.004 0.000 1.114 3 S HN 0.605 8.913 8.310 -0.004 0.000 0.468 4 G N 1.038 109.835 108.800 -0.005 0.000 3.175 4 G HA2 0.780 4.737 3.960 -0.006 0.000 0.153 4 G HA3 0.780 4.738 3.960 -0.004 0.000 0.153 4 G C -1.779 173.116 174.900 -0.007 0.000 1.216 4 G CA -0.956 44.141 45.100 -0.005 0.000 0.943 4 G HN 0.714 9.002 8.290 -0.004 0.000 0.611 5 S N -1.938 113.757 115.700 -0.007 0.000 2.645 5 S HA 0.060 4.525 4.470 -0.010 0.000 0.268 5 S C -1.477 173.118 174.600 -0.007 0.000 1.110 5 S CA -0.482 57.712 58.200 -0.010 0.000 0.823 5 S CB 1.794 64.984 63.200 -0.016 0.000 1.091 5 S HN -0.228 8.079 8.310 -0.005 0.000 0.466 6 S N 0.711 116.407 115.700 -0.008 0.000 2.449 6 S HA 0.209 4.679 4.470 -0.000 0.000 0.310 6 S C -0.083 174.514 174.600 -0.005 0.000 1.096 6 S CA 0.053 58.252 58.200 -0.002 0.000 1.095 6 S CB 0.729 63.931 63.200 0.004 0.000 1.007 6 S HN 0.119 8.422 8.310 -0.012 0.000 0.474 7 G N 2.486 111.287 108.800 0.001 0.000 2.468 7 G HA2 0.265 4.221 3.960 -0.007 0.000 0.315 7 G HA3 0.265 4.226 3.960 0.000 0.000 0.315 7 G C -1.773 173.138 174.900 0.017 0.000 1.203 7 G CA 0.046 45.148 45.100 0.002 0.000 0.962 7 G HN 0.359 8.651 8.290 0.003 0.000 0.476 8 A N 3.787 126.625 122.820 0.030 0.000 2.483 8 A HA 0.123 4.469 4.320 0.044 0.000 0.306 8 A C -1.535 176.105 177.584 0.095 0.000 1.137 8 A CA -0.283 51.784 52.037 0.051 0.000 0.626 8 A CB 1.171 20.198 19.000 0.045 0.000 1.352 8 A HN 0.115 8.280 8.150 0.025 0.000 0.508 9 I N 0.212 120.845 120.570 0.105 0.000 2.638 9 I HA 0.045 4.343 4.170 0.214 0.000 0.286 9 I C -0.549 175.695 176.117 0.211 0.000 1.088 9 I CA 0.352 61.744 61.300 0.154 0.000 1.397 9 I CB 0.291 38.341 38.000 0.082 0.000 1.414 9 I HN 0.032 8.287 8.210 0.075 0.000 0.566 10 Y N 3.600 123.907 120.300 0.013 0.000 2.658 10 Y HA 0.229 4.786 4.550 0.012 0.000 0.273 10 Y C -2.071 173.837 175.900 0.014 0.000 0.992 10 Y CA -0.864 57.243 58.100 0.012 0.000 1.105 10 Y CB 0.282 38.748 38.460 0.010 0.000 1.188 10 Y HN -0.131 8.381 8.280 0.387 0.000 0.616 11 V N 1.368 121.114 119.914 -0.280 0.000 2.859 11 V HA -0.001 3.971 4.120 -0.248 0.000 0.276 11 V C -2.032 173.975 176.094 -0.145 0.000 1.496 11 V CA 0.191 62.298 62.300 -0.321 0.000 0.929 11 V CB 1.819 33.284 31.823 -0.596 0.000 1.147 11 V HN -0.418 7.707 8.190 -0.109 0.000 0.449 12 D N 7.724 128.073 120.400 -0.086 0.000 2.358 12 D HA 0.332 4.954 4.640 -0.030 0.000 0.253 12 D C -0.633 175.654 176.300 -0.020 0.000 1.288 12 D CA -0.347 53.633 54.000 -0.033 0.000 0.950 12 D CB 0.871 41.669 40.800 -0.004 0.000 1.197 12 D HN 0.010 8.329 8.370 -0.085 0.000 0.550 13 L N 2.764 123.975 121.223 -0.020 0.000 2.535 13 L HA -0.130 4.196 4.340 -0.024 0.000 0.301 13 L C -1.614 175.259 176.870 0.005 0.000 1.275 13 L CA -0.455 54.378 54.840 -0.012 0.000 0.843 13 L CB -0.333 41.721 42.059 -0.008 0.000 1.094 13 L HN -0.006 8.209 8.230 -0.024 0.000 0.532 14 P HA 0.107 4.537 4.420 0.016 0.000 0.274 14 P C -1.804 175.488 177.300 -0.013 0.000 1.231 14 P CA -0.617 62.485 63.100 0.003 0.000 0.790 14 P CB 0.737 32.435 31.700 -0.002 0.000 0.951 15 N N -0.915 117.786 118.700 0.003 0.000 2.823 15 N HA 0.106 4.833 4.740 -0.187 -0.100 0.251 15 N C -1.779 173.750 175.510 0.031 0.000 1.392 15 N CA -0.290 52.720 53.050 -0.066 0.000 0.864 15 N CB 3.875 42.386 38.487 0.039 0.000 1.481 15 N HN 0.006 8.407 8.380 0.035 0.000 0.508 16 R N -0.641 119.840 120.500 -0.031 0.000 2.548 16 R HA 0.325 4.775 4.340 0.185 0.000 0.280 16 R C -2.367 174.107 176.300 0.289 0.000 1.061 16 R CA -1.419 54.757 56.100 0.128 0.000 0.915 16 R CB 3.925 34.262 30.300 0.062 0.000 1.210 16 R HN 0.341 8.401 8.270 -0.350 0.000 0.442 17 Q N 3.257 123.268 119.800 0.351 0.000 2.351 17 Q HA 0.867 5.633 4.340 0.498 -0.128 0.273 17 Q C -1.700 174.406 176.000 0.176 0.000 1.077 17 Q CA -1.679 54.334 55.803 0.350 0.000 0.843 17 Q CB 3.183 32.041 28.738 0.200 0.000 1.367 17 Q HN 0.223 8.645 8.270 0.252 0.000 0.449 18 L N -1.067 120.242 121.223 0.144 0.000 2.502 18 L HA 0.438 4.833 4.340 0.091 0.000 0.253 18 L C -1.868 175.048 176.870 0.076 0.000 1.070 18 L CA -0.754 54.146 54.840 0.101 0.000 0.871 18 L CB 4.584 46.703 42.059 0.099 0.000 1.487 18 L HN 0.869 9.081 8.230 0.159 0.114 0.408 19 K N 0.122 120.560 120.400 0.064 0.000 2.565 19 K HA 0.549 5.081 4.320 0.044 -0.185 0.249 19 K C -1.215 175.415 176.600 0.049 0.000 0.958 19 K CA -0.747 55.569 56.287 0.047 0.000 0.806 19 K CB 2.702 35.222 32.500 0.034 0.000 1.194 19 K HN 0.262 8.554 8.250 0.069 0.000 0.434 20 V N 5.781 125.719 119.914 0.040 0.000 2.277 20 V HA 0.144 4.297 4.120 0.054 0.000 0.269 20 V C -0.257 175.838 176.094 0.001 0.000 1.036 20 V CA -1.165 61.155 62.300 0.034 0.000 0.821 20 V CB 0.456 32.301 31.823 0.037 0.000 1.052 20 V HN 0.079 8.290 8.190 0.034 0.000 0.462 21 K N 8.956 129.356 120.400 0.001 0.000 2.146 21 K HA -0.169 4.144 4.320 -0.012 0.000 0.220 21 K C -0.210 176.363 176.600 -0.045 0.000 1.227 21 K CA -0.124 56.154 56.287 -0.015 0.000 1.185 21 K CB -1.669 30.828 32.500 -0.004 0.000 1.333 21 K HN 0.433 8.693 8.250 0.018 0.000 0.242 22 V N -2.287 117.595 119.914 -0.053 0.000 2.872 22 V HA -0.297 3.749 4.120 -0.123 0.000 0.302 22 V C 0.117 176.166 176.094 -0.075 0.000 1.166 22 V CA 0.740 62.991 62.300 -0.081 0.000 1.298 22 V CB 0.052 31.838 31.823 -0.062 0.000 0.894 22 V HN -0.089 8.051 8.190 -0.038 0.028 0.509 23 A N 5.751 128.512 122.820 -0.099 0.000 1.969 23 A HA -0.236 4.046 4.320 -0.064 0.000 0.218 23 A C -0.321 177.230 177.584 -0.055 0.000 1.169 23 A CA 1.696 53.687 52.037 -0.077 0.000 0.635 23 A CB 0.619 19.563 19.000 -0.093 0.000 0.810 23 A HN 0.829 8.898 8.150 -0.135 0.000 0.445 24 D N -6.864 113.503 120.400 -0.055 0.000 3.242 24 D HA -0.006 4.614 4.640 -0.034 0.000 0.357 24 D C -1.906 174.370 176.300 -0.039 0.000 1.486 24 D CA -0.088 53.888 54.000 -0.040 0.000 0.817 24 D CB 0.727 41.506 40.800 -0.034 0.000 1.424 24 D HN -0.152 8.170 8.370 -0.068 0.008 0.502 25 R N -0.670 119.812 120.500 -0.030 0.000 2.943 25 R HA 0.204 4.526 4.340 -0.030 0.000 0.246 25 R C 0.373 176.658 176.300 -0.024 0.000 1.201 25 R CA -0.949 55.135 56.100 -0.026 0.000 1.056 25 R CB 1.824 32.112 30.300 -0.020 0.000 1.243 25 R HN 0.169 8.423 8.270 -0.026 0.000 0.498 26 R N -3.278 117.210 120.500 -0.020 0.000 3.773 26 R HA -0.497 3.834 4.340 -0.015 0.000 0.514 26 R C 0.048 176.337 176.300 -0.019 0.000 0.241 26 R CA 1.482 57.572 56.100 -0.017 0.000 1.604 26 R CB -0.472 29.819 30.300 -0.014 0.000 1.012 26 R HN 0.497 8.755 8.270 -0.019 0.000 0.561 27 V N -4.710 115.195 119.914 -0.016 0.000 0.582 27 V HA -0.500 3.613 4.120 -0.013 0.000 0.092 27 V C 0.442 176.527 176.094 -0.016 0.000 1.874 27 V CA 2.984 65.275 62.300 -0.016 0.000 3.418 27 V CB -0.478 31.333 31.823 -0.020 0.000 0.707 27 V HN 0.210 8.392 8.190 -0.013 0.000 0.732 28 I N 0.372 120.930 120.570 -0.020 0.000 2.932 28 I HA -0.322 3.838 4.170 -0.017 0.000 0.295 28 I C 0.930 177.039 176.117 -0.013 0.000 1.227 28 I CA 0.961 62.250 61.300 -0.019 0.000 1.429 28 I CB 0.494 38.478 38.000 -0.026 0.000 1.339 28 I HN -0.195 7.948 8.210 -0.025 0.052 0.589 29 S N 5.373 121.068 115.700 -0.009 0.000 2.335 29 S HA -0.134 4.332 4.470 -0.006 0.000 0.217 29 S C 1.283 175.879 174.600 -0.006 0.000 1.032 29 S CA 2.409 60.605 58.200 -0.006 0.000 0.985 29 S CB 0.019 63.217 63.200 -0.003 0.000 0.896 29 S HN 0.189 8.494 8.310 -0.008 0.000 0.445 30 T N 2.966 117.517 114.554 -0.005 0.000 4.029 30 T HA -0.035 4.313 4.350 -0.004 0.000 0.226 30 T C -1.161 173.535 174.700 -0.007 0.000 0.838 30 T CA 1.087 63.184 62.100 -0.005 0.000 0.907 30 T CB -1.964 66.902 68.868 -0.003 0.000 1.296 30 T HN 0.254 8.491 8.240 -0.005 0.000 0.711 31 T N 1.531 116.080 114.554 -0.009 0.000 4.242 31 T HA 0.187 4.532 4.350 -0.009 0.000 0.288 31 T C -2.525 172.170 174.700 -0.009 0.000 0.931 31 T CA -0.164 61.930 62.100 -0.011 0.000 1.071 31 T CB 1.477 70.336 68.868 -0.016 0.000 1.054 31 T HN 0.069 8.219 8.240 -0.008 0.086 0.481 32 D N 0.326 120.722 120.400 -0.007 0.000 2.626 32 D HA 0.129 4.765 4.640 -0.007 0.000 0.278 32 D C -0.832 175.466 176.300 -0.004 0.000 1.211 32 D CA -0.838 53.158 54.000 -0.006 0.000 0.903 32 D CB 3.321 44.117 40.800 -0.006 0.000 1.408 32 D HN -0.364 8.002 8.370 -0.006 0.000 0.454 33 A N -0.092 122.726 122.820 -0.004 0.000 2.459 33 A HA -0.211 4.107 4.320 -0.002 0.000 0.685 33 A C -1.540 176.044 177.584 -0.002 0.000 0.157 33 A CA 0.763 52.798 52.037 -0.002 0.000 0.058 33 A CB 0.264 19.263 19.000 -0.002 0.000 3.969 33 A HN 0.002 8.150 8.150 -0.004 0.000 0.548 34 E N -0.422 119.777 120.200 -0.001 0.000 4.176 34 E HA 0.129 4.479 4.350 0.001 0.000 0.222 34 E C -1.369 175.231 176.600 0.001 0.000 1.142 34 E CA 0.050 56.450 56.400 0.000 0.000 1.400 34 E CB 0.267 29.967 29.700 -0.000 0.000 1.206 34 E HN 0.139 8.499 8.360 -0.001 0.000 0.413 35 R N 0.049 120.549 120.500 0.001 0.000 2.799 35 R HA 0.199 4.540 4.340 0.002 0.000 0.270 35 R C -1.126 175.175 176.300 0.001 0.000 1.010 35 R CA -0.152 55.949 56.100 0.001 0.000 0.916 35 R CB 1.542 31.842 30.300 0.000 0.000 1.228 35 R HN -0.359 7.911 8.270 0.000 0.000 0.469 36 Q N 0.503 120.304 119.800 0.002 0.000 2.389 36 Q HA -0.329 4.012 4.340 0.002 0.000 0.320 36 Q C -2.165 173.837 176.000 0.002 0.000 1.284 36 Q CA 0.136 55.940 55.803 0.002 0.000 0.829 36 Q CB -0.196 28.543 28.738 0.001 0.000 0.948 36 Q HN 0.425 8.696 8.270 0.002 0.000 0.310 37 A N 2.494 125.316 122.820 0.003 0.000 2.435 37 A HA -0.210 4.114 4.320 0.005 0.000 0.686 37 A C -2.065 175.522 177.584 0.006 0.000 0.139 37 A CA 0.192 52.232 52.037 0.004 0.000 0.032 37 A CB 0.203 19.206 19.000 0.003 0.000 3.974 37 A HN 0.039 8.191 8.150 0.004 0.000 0.548 38 V N 2.006 121.925 119.914 0.008 0.000 2.584 38 V HA -0.146 3.980 4.120 0.010 0.000 0.303 38 V C -0.249 175.851 176.094 0.009 0.000 1.035 38 V CA 0.446 62.753 62.300 0.011 0.000 1.172 38 V CB 0.808 32.641 31.823 0.016 0.000 0.896 38 V HN 0.030 8.225 8.190 0.009 0.000 0.486 39 T N 7.189 121.748 114.554 0.008 0.000 2.918 39 T HA 0.330 4.784 4.350 0.005 -0.101 0.283 39 T C -1.355 173.351 174.700 0.009 0.000 1.001 39 T CA -3.299 58.805 62.100 0.006 0.000 1.041 39 T CB 0.155 69.026 68.868 0.004 0.000 1.028 39 T HN -0.177 8.067 8.240 0.008 0.000 0.511 40 P HA 0.410 4.831 4.420 0.002 0.000 0.275 40 P C -2.348 174.953 177.300 0.001 0.000 1.227 40 P CA -1.958 61.143 63.100 0.002 0.000 0.781 40 P CB -0.532 31.168 31.700 0.000 0.000 0.906 41 P HA -0.079 4.340 4.420 -0.001 0.000 0.273 41 P C -0.735 176.563 177.300 -0.004 0.000 1.319 41 P CA -0.122 62.977 63.100 -0.001 0.000 0.885 41 P CB -0.560 31.140 31.700 -0.001 0.000 1.015 42 G N 3.167 111.963 108.800 -0.006 0.000 3.435 42 G HA2 -0.312 3.642 3.960 -0.010 0.000 0.197 42 G HA3 -0.312 3.643 3.960 -0.009 0.000 0.197 42 G C 0.437 175.327 174.900 -0.016 0.000 1.497 42 G CA -0.070 45.025 45.100 -0.010 0.000 1.043 42 G HN -0.331 7.956 8.290 -0.006 0.000 0.466 43 L N 4.138 125.352 121.223 -0.014 0.000 1.997 43 L HA -0.434 3.891 4.340 -0.025 0.000 0.227 43 L C 0.979 177.830 176.870 -0.031 0.000 1.087 43 L CA 2.981 57.809 54.840 -0.021 0.000 0.797 43 L CB -0.319 41.733 42.059 -0.012 0.000 0.902 43 L HN -0.067 8.158 8.230 -0.010 0.000 0.441 44 Q N -3.570 116.216 119.800 -0.022 0.000 2.173 44 Q HA -0.469 3.846 4.340 -0.041 0.000 0.208 44 Q C 2.516 178.492 176.000 -0.041 0.000 0.989 44 Q CA 3.089 58.874 55.803 -0.029 0.000 0.872 44 Q CB -0.875 27.858 28.738 -0.009 0.000 0.909 44 Q HN 0.120 8.383 8.270 -0.011 0.000 0.420 45 E N -0.049 120.132 120.200 -0.031 0.000 2.016 45 E HA -0.267 4.064 4.350 -0.032 0.000 0.190 45 E C 1.886 178.462 176.600 -0.041 0.000 0.985 45 E CA 2.433 58.814 56.400 -0.031 0.000 0.802 45 E CB -0.136 29.553 29.700 -0.019 0.000 0.762 45 E HN -0.124 8.095 8.360 -0.023 0.128 0.448 46 A N 0.415 123.213 122.820 -0.038 0.000 1.870 46 A HA -0.351 3.949 4.320 -0.034 0.000 0.219 46 A C 2.378 179.920 177.584 -0.069 0.000 1.224 46 A CA 3.298 55.309 52.037 -0.043 0.000 0.650 46 A CB -0.724 18.254 19.000 -0.037 0.000 0.836 46 A HN 0.673 8.680 8.150 -0.031 0.125 0.454 47 I N -2.371 118.147 120.570 -0.087 0.000 2.127 47 I HA -0.670 3.409 4.170 -0.151 0.000 0.241 47 I C 2.027 178.056 176.117 -0.146 0.000 1.075 47 I CA 4.416 65.636 61.300 -0.133 0.000 1.334 47 I CB -0.513 37.404 38.000 -0.139 0.000 1.040 47 I HN 0.365 8.531 8.210 -0.073 0.000 0.405 48 N N -0.392 118.239 118.700 -0.115 0.000 2.049 48 N HA -0.450 4.211 4.740 -0.132 0.000 0.198 48 N C 2.317 177.778 175.510 -0.083 0.000 1.030 48 N CA 3.196 56.184 53.050 -0.103 0.000 0.870 48 N CB -0.781 37.666 38.487 -0.067 0.000 1.045 48 N HN -0.220 7.941 8.380 -0.096 0.161 0.434 49 D N -0.657 119.707 120.400 -0.061 0.000 2.149 49 D HA -0.246 4.381 4.640 -0.022 0.000 0.198 49 D C 2.435 178.714 176.300 -0.036 0.000 0.990 49 D CA 2.999 56.978 54.000 -0.035 0.000 0.839 49 D CB -0.258 40.528 40.800 -0.023 0.000 0.948 49 D HN 0.471 8.694 8.370 -0.058 0.112 0.460 50 L N -1.155 120.011 121.223 -0.096 0.000 2.156 50 L HA -0.244 4.074 4.340 -0.036 0.000 0.208 50 L C 2.159 178.861 176.870 -0.279 0.000 1.095 50 L CA 2.459 57.191 54.840 -0.179 0.000 0.770 50 L CB 0.323 42.212 42.059 -0.283 0.000 0.914 50 L HN -0.280 7.762 8.230 -0.113 0.121 0.439 51 V N -1.024 118.759 119.914 -0.219 0.000 2.809 51 V HA -0.580 3.383 4.120 -0.262 0.000 0.256 51 V C 1.233 177.299 176.094 -0.047 0.000 1.080 51 V CA 3.927 66.116 62.300 -0.184 0.000 1.102 51 V CB -0.373 31.332 31.823 -0.196 0.000 0.705 51 V HN 0.565 8.402 8.190 -0.184 0.242 0.475 52 K N -2.256 118.134 120.400 -0.017 0.000 2.242 52 K HA -0.067 4.263 4.320 0.017 0.000 0.200 52 K C 1.335 177.980 176.600 0.076 0.000 1.050 52 K CA 1.822 58.121 56.287 0.021 0.000 0.981 52 K CB 0.214 32.715 32.500 0.002 0.000 0.795 52 K HN -0.110 7.971 8.250 -0.038 0.145 0.477 53 K N -3.311 117.163 120.400 0.124 0.000 2.362 53 K HA -0.152 4.227 4.320 0.099 0.000 0.200 53 K C 0.535 177.296 176.600 0.268 0.000 1.046 53 K CA 1.307 57.703 56.287 0.182 0.000 0.952 53 K CB 0.178 32.797 32.500 0.199 0.000 0.753 53 K HN -0.191 7.916 8.250 0.091 0.198 0.466 54 Y N -1.407 118.876 120.300 -0.029 0.000 2.545 54 Y HA 0.196 4.732 4.550 -0.024 0.000 0.324 54 Y C -0.522 175.361 175.900 -0.029 0.000 1.220 54 Y CA -1.463 56.620 58.100 -0.029 0.000 1.290 54 Y CB 1.683 40.121 38.460 -0.037 0.000 1.355 54 Y HN -0.789 7.553 8.280 0.357 0.152 0.516 55 T N 4.380 118.990 114.554 0.093 0.000 2.728 55 T HA 0.099 4.471 4.350 0.036 0.000 0.296 55 T C -0.628 174.103 174.700 0.052 0.000 0.940 55 T CA -0.117 62.009 62.100 0.042 0.000 1.013 55 T CB 0.072 68.938 68.868 -0.003 0.000 0.912 55 T HN 0.175 8.443 8.240 0.046 0.000 0.484 56 L N 3.754 124.999 121.223 0.036 0.000 3.895 56 L HA -0.408 3.940 4.340 0.014 0.000 0.511 56 L C -1.750 175.133 176.870 0.021 0.000 1.222 56 L CA 0.557 55.409 54.840 0.021 0.000 0.739 56 L CB -2.994 39.072 42.059 0.012 0.000 1.425 56 L HN 0.903 9.152 8.230 0.031 0.000 0.817 57 A N -0.762 122.070 122.820 0.019 0.000 2.288 57 A HA 0.485 4.916 4.320 -0.008 -0.116 0.328 57 A C -1.172 176.354 177.584 -0.097 0.000 1.123 57 A CA -0.814 51.213 52.037 -0.017 0.000 0.861 57 A CB 2.985 21.995 19.000 0.017 0.000 1.272 57 A HN -0.456 7.707 8.150 0.022 0.000 0.490 58 R N -1.464 118.938 120.500 -0.163 0.000 2.560 58 R HA 0.191 4.345 4.340 -0.310 0.000 0.267 58 R C -2.524 173.564 176.300 -0.352 0.000 1.150 58 R CA 0.347 56.289 56.100 -0.264 0.000 0.997 58 R CB 3.803 34.018 30.300 -0.142 0.000 1.250 58 R HN 0.469 8.643 8.270 -0.160 0.000 0.433 59 A N 3.549 126.047 122.820 -0.537 0.000 2.413 59 A HA 0.998 5.303 4.320 -0.270 -0.146 0.307 59 A C -1.900 175.291 177.584 -0.654 0.000 1.087 59 A CA -1.507 50.277 52.037 -0.422 0.000 0.750 59 A CB 2.972 21.796 19.000 -0.293 0.000 1.296 59 A HN 0.266 8.029 8.150 -0.645 0.000 0.423 60 F N -1.298 118.659 119.950 0.011 0.000 2.745 60 F HA 0.299 4.839 4.527 0.021 0.000 0.316 60 F C -2.015 173.820 175.800 0.058 0.000 1.155 60 F CA -0.657 57.371 58.000 0.047 0.000 0.937 60 F CB 4.736 43.797 39.000 0.101 0.000 1.361 60 F HN 0.718 9.071 8.300 0.089 0.000 0.472 61 V N -3.963 116.125 119.914 0.290 0.000 3.077 61 V HA 0.689 5.075 4.120 0.154 -0.172 0.299 61 V C -1.787 174.373 176.094 0.110 0.000 1.276 61 V CA -2.251 60.143 62.300 0.157 0.000 0.993 61 V CB 3.469 35.351 31.823 0.098 0.000 1.076 61 V HN 0.175 8.574 8.190 0.349 0.000 0.434 62 R N 3.709 124.249 120.500 0.067 0.000 2.483 62 R HA 0.595 4.953 4.340 0.030 0.000 0.303 62 R C -2.347 173.964 176.300 0.018 0.000 0.987 62 R CA -3.221 52.897 56.100 0.030 0.000 0.881 62 R CB 3.402 33.705 30.300 0.006 0.000 1.177 62 R HN 0.870 9.063 8.270 0.065 0.116 0.451 63 P HA 0.221 4.644 4.420 0.006 0.000 0.312 63 P C -0.397 176.902 177.300 -0.002 0.000 1.307 63 P CA -0.878 62.225 63.100 0.005 0.000 0.738 63 P CB 0.903 32.605 31.700 0.005 0.000 1.422 64 S N -0.656 115.041 115.700 -0.005 0.000 2.558 64 S HA -0.497 3.968 4.470 -0.009 0.000 0.297 64 S C 0.283 174.877 174.600 -0.010 0.000 1.283 64 S CA 1.996 60.191 58.200 -0.008 0.000 1.044 64 S CB 0.273 63.467 63.200 -0.009 0.000 0.789 64 S HN -0.078 8.229 8.310 -0.005 0.000 0.500 65 G N 3.833 112.626 108.800 -0.012 0.000 2.110 65 G HA2 0.103 4.054 3.960 -0.014 0.000 0.218 65 G HA3 0.103 4.053 3.960 -0.016 0.000 0.218 65 G C -0.868 174.023 174.900 -0.016 0.000 2.460 65 G CA -0.089 45.002 45.100 -0.014 0.000 0.838 65 G HN -0.327 7.957 8.290 -0.011 0.000 0.534 66 T N -0.864 113.681 114.554 -0.014 0.000 6.387 66 T HA -0.360 3.982 4.350 -0.013 0.000 0.290 66 T C -1.068 173.625 174.700 -0.013 0.000 1.901 66 T CA 1.649 63.740 62.100 -0.014 0.000 3.035 66 T CB -0.600 68.258 68.868 -0.017 0.000 1.917 66 T HN 0.252 8.484 8.240 -0.013 0.000 1.121 67 E N -1.686 118.507 120.200 -0.012 0.000 2.377 67 E HA 0.162 4.506 4.350 -0.010 0.000 0.266 67 E C -1.800 174.794 176.600 -0.010 0.000 1.111 67 E CA -0.709 55.685 56.400 -0.011 0.000 0.889 67 E CB 2.948 32.641 29.700 -0.011 0.000 1.644 67 E HN -0.593 7.703 8.360 -0.012 0.057 0.464 68 D N -1.889 118.505 120.400 -0.009 0.000 2.650 68 D HA 0.207 4.841 4.640 -0.011 0.000 0.265 68 D C -1.599 174.694 176.300 -0.011 0.000 1.339 68 D CA -0.223 53.771 54.000 -0.010 0.000 0.816 68 D CB -0.023 40.771 40.800 -0.011 0.000 1.091 68 D HN 0.225 8.590 8.370 -0.009 0.000 0.483 69 I N -0.849 119.716 120.570 -0.008 0.000 2.689 69 I HA 0.117 4.281 4.170 -0.009 0.000 0.299 69 I C -1.229 174.886 176.117 -0.003 0.000 1.059 69 I CA -1.261 60.036 61.300 -0.006 0.000 1.055 69 I CB 3.579 41.578 38.000 -0.002 0.000 1.243 69 I HN -0.776 7.374 8.210 -0.008 0.055 0.425 70 V N 3.331 123.246 119.914 0.001 0.000 2.686 70 V HA 0.123 4.362 4.120 0.006 -0.115 0.295 70 V C -1.275 174.830 176.094 0.019 0.000 1.057 70 V CA -0.632 61.673 62.300 0.008 0.000 1.012 70 V CB 1.313 33.140 31.823 0.007 0.000 1.006 70 V HN -0.229 7.960 8.190 -0.001 0.000 0.477 71 R N 5.277 125.791 120.500 0.025 0.000 2.460 71 R HA 0.428 4.787 4.340 0.032 0.000 0.303 71 R C -1.665 174.677 176.300 0.071 0.000 0.968 71 R CA -1.196 54.925 56.100 0.035 0.000 0.889 71 R CB 2.726 33.033 30.300 0.012 0.000 1.123 71 R HN 1.051 9.211 8.270 0.023 0.124 0.455 72 V N 5.569 125.542 119.914 0.098 0.000 2.823 72 V HA 0.437 4.770 4.120 0.147 -0.125 0.312 72 V C -1.941 174.307 176.094 0.257 0.000 1.072 72 V CA -1.385 61.001 62.300 0.144 0.000 0.937 72 V CB 4.236 36.119 31.823 0.100 0.000 1.013 72 V HN 0.626 8.869 8.190 0.088 0.000 0.430 73 Y N 6.872 127.219 120.300 0.079 0.000 2.480 73 Y HA 0.605 5.420 4.550 0.069 -0.223 0.329 73 Y C -2.988 172.964 175.900 0.087 0.000 1.127 73 Y CA -0.817 57.338 58.100 0.092 0.000 1.037 73 Y CB 4.387 42.921 38.460 0.123 0.000 1.320 73 Y HN 0.112 8.546 8.280 0.257 0.000 0.446 74 A N 5.252 127.887 122.820 -0.308 0.000 2.459 74 A HA 0.982 5.317 4.320 -0.277 -0.182 0.296 74 A C -2.765 174.579 177.584 -0.401 0.000 1.039 74 A CA -1.117 50.740 52.037 -0.300 0.000 0.698 74 A CB 3.732 22.642 19.000 -0.150 0.000 1.261 74 A HN 1.005 8.942 8.150 -0.356 0.000 0.405 75 E N 1.262 121.267 120.200 -0.324 0.000 2.423 75 E HA 0.364 4.587 4.350 -0.212 0.000 0.269 75 E C -2.461 174.075 176.600 -0.106 0.000 0.948 75 E CA -1.977 54.286 56.400 -0.227 0.000 0.802 75 E CB 3.873 33.433 29.700 -0.233 0.000 1.339 75 E HN 1.054 9.128 8.360 -0.274 0.121 0.445 76 A N -2.291 120.498 122.820 -0.053 0.000 2.515 76 A HA 0.446 4.982 4.320 -0.007 -0.219 0.292 76 A C -1.706 175.877 177.584 -0.002 0.000 1.065 76 A CA -0.597 51.437 52.037 -0.005 0.000 0.641 76 A CB 2.328 21.356 19.000 0.048 0.000 1.306 76 A HN -0.478 7.639 8.150 -0.054 0.000 0.441 77 N N -0.572 118.133 118.700 0.008 0.000 2.309 77 N HA -0.182 4.555 4.740 -0.005 0.000 0.182 77 N C 0.055 175.563 175.510 -0.004 0.000 1.018 77 N CA 1.769 54.818 53.050 -0.001 0.000 0.876 77 N CB 0.604 39.091 38.487 0.000 0.000 0.972 77 N HN 0.024 8.416 8.380 0.020 0.000 0.434 78 S N -1.144 114.557 115.700 0.002 0.000 2.537 78 S HA 0.277 4.742 4.470 -0.007 0.000 0.301 78 S C 0.642 175.244 174.600 0.003 0.000 1.092 78 S CA -1.428 56.770 58.200 -0.003 0.000 1.048 78 S CB 2.269 65.462 63.200 -0.011 0.000 1.053 78 S HN -0.722 7.578 8.310 0.013 0.017 0.501 79 Q N 3.237 123.037 119.800 -0.001 0.000 2.096 79 Q HA -0.412 3.929 4.340 0.003 0.000 0.204 79 Q C 1.693 177.699 176.000 0.010 0.000 0.982 79 Q CA 4.130 59.935 55.803 0.003 0.000 0.850 79 Q CB -0.492 28.247 28.738 0.001 0.000 0.901 79 Q HN 0.648 8.916 8.270 -0.005 0.000 0.422 80 E N 0.240 120.443 120.200 0.005 0.000 2.012 80 E HA -0.249 4.333 4.350 0.006 -0.229 0.197 80 E C 2.185 178.812 176.600 0.045 0.000 1.007 80 E CA 3.720 60.125 56.400 0.009 0.000 0.816 80 E CB -0.936 28.756 29.700 -0.013 0.000 0.762 80 E HN 0.492 8.850 8.360 -0.003 0.000 0.451 81 S N -1.218 114.513 115.700 0.052 0.000 2.392 81 S HA -0.280 4.318 4.470 0.213 0.000 0.232 81 S C 2.086 176.774 174.600 0.146 0.000 1.041 81 S CA 3.212 61.505 58.200 0.154 0.000 1.026 81 S CB -1.101 62.189 63.200 0.150 0.000 0.845 81 S HN 0.018 8.339 8.310 0.019 0.000 0.465 82 A N 1.893 124.748 122.820 0.059 0.000 1.898 82 A HA -0.349 3.958 4.320 -0.022 0.000 0.216 82 A C 1.695 179.291 177.584 0.021 0.000 1.181 82 A CA 2.929 54.969 52.037 0.006 0.000 0.620 82 A CB -0.524 18.465 19.000 -0.019 0.000 0.819 82 A HN -0.149 7.924 8.150 0.041 0.102 0.442 83 D N -1.025 119.403 120.400 0.045 0.000 2.084 83 D HA -0.275 4.401 4.640 0.060 0.000 0.199 83 D C 2.402 178.772 176.300 0.118 0.000 0.981 83 D CA 2.904 56.942 54.000 0.063 0.000 0.841 83 D CB -0.661 40.160 40.800 0.036 0.000 0.997 83 D HN 0.092 8.292 8.370 0.040 0.194 0.454 84 R N -0.239 120.338 120.500 0.129 0.000 2.143 84 R HA -0.429 4.032 4.340 0.201 0.000 0.239 84 R C 2.269 178.709 176.300 0.233 0.000 1.126 84 R CA 3.430 59.656 56.100 0.210 0.000 0.927 84 R CB -0.304 30.135 30.300 0.232 0.000 0.860 84 R HN 0.459 8.677 8.270 0.097 0.111 0.433 85 L N -2.162 119.153 121.223 0.153 0.000 1.990 85 L HA -0.339 3.940 4.340 -0.103 0.000 0.213 85 L C 1.069 177.928 176.870 -0.017 0.000 1.072 85 L CA 3.379 58.197 54.840 -0.037 0.000 0.755 85 L CB -0.560 41.391 42.059 -0.181 0.000 0.889 85 L HN -0.258 7.993 8.230 0.207 0.103 0.432 86 A N -0.676 122.155 122.820 0.018 0.000 1.848 86 A HA -0.480 3.837 4.320 -0.006 0.000 0.217 86 A C 1.585 179.210 177.584 0.069 0.000 1.220 86 A CA 3.289 55.346 52.037 0.033 0.000 0.645 86 A CB -1.176 17.856 19.000 0.054 0.000 0.842 86 A HN -0.335 7.829 8.150 0.023 0.000 0.451 87 Y N 0.265 120.569 120.300 0.006 0.000 2.096 87 Y HA -0.451 4.109 4.550 0.016 0.000 0.278 87 Y C 2.450 178.350 175.900 -0.001 0.000 1.192 87 Y CA 3.227 61.331 58.100 0.008 0.000 1.143 87 Y CB -0.431 38.033 38.460 0.007 0.000 0.963 87 Y HN 0.326 8.664 8.280 0.260 0.098 0.505 88 E N -1.306 118.763 120.200 -0.218 0.000 2.012 88 E HA -0.489 3.466 4.350 -0.659 0.000 0.197 88 E C 2.352 178.807 176.600 -0.242 0.000 1.007 88 E CA 3.505 59.709 56.400 -0.327 0.000 0.816 88 E CB -0.057 29.596 29.700 -0.079 0.000 0.762 88 E HN 0.082 8.347 8.360 0.126 0.170 0.451 89 V N -0.122 119.709 119.914 -0.138 0.000 2.222 89 V HA -0.587 3.473 4.120 -0.099 0.000 0.252 89 V C 1.976 178.025 176.094 -0.076 0.000 1.060 89 V CA 4.153 66.395 62.300 -0.097 0.000 1.027 89 V CB -0.707 31.074 31.823 -0.070 0.000 0.644 89 V HN 0.687 8.695 8.190 -0.110 0.116 0.448 90 S N -0.548 115.116 115.700 -0.059 0.000 2.381 90 S HA -0.485 3.997 4.470 0.020 0.000 0.230 90 S C 2.268 176.854 174.600 -0.024 0.000 1.052 90 S CA 3.588 61.777 58.200 -0.018 0.000 1.068 90 S CB -0.605 62.596 63.200 0.003 0.000 0.918 90 S HN -0.096 8.185 8.310 -0.048 0.000 0.448 91 L N 1.450 122.576 121.223 -0.162 0.000 2.005 91 L HA -0.351 3.941 4.340 -0.080 0.000 0.207 91 L C 1.797 178.639 176.870 -0.047 0.000 1.072 91 L CA 3.284 58.021 54.840 -0.172 0.000 0.744 91 L CB -0.097 41.700 42.059 -0.437 0.000 0.895 91 L HN -0.618 7.358 8.230 -0.291 0.080 0.433 92 L N -2.701 118.469 121.223 -0.088 0.000 2.089 92 L HA -0.499 3.817 4.340 -0.039 0.000 0.213 92 L C 2.384 179.262 176.870 0.012 0.000 1.079 92 L CA 3.144 57.959 54.840 -0.042 0.000 0.758 92 L CB -1.192 40.829 42.059 -0.063 0.000 0.891 92 L HN 0.605 8.560 8.230 -0.146 0.187 0.433 93 V N -0.807 119.124 119.914 0.027 0.000 2.302 93 V HA -0.405 3.728 4.120 0.022 0.000 0.243 93 V C 1.849 177.995 176.094 0.085 0.000 1.036 93 V CA 4.245 66.570 62.300 0.041 0.000 1.020 93 V CB -0.372 31.470 31.823 0.031 0.000 0.657 93 V HN 0.140 8.219 8.190 0.011 0.118 0.453 94 F N 0.667 120.590 119.950 -0.045 0.000 2.167 94 F HA -0.539 4.022 4.527 -0.025 -0.050 0.301 94 F C 0.954 176.736 175.800 -0.030 0.000 1.066 94 F CA 3.650 61.629 58.000 -0.036 0.000 1.285 94 F CB -0.014 38.958 39.000 -0.047 0.000 1.032 94 F HN -0.028 8.354 8.300 0.222 0.051 0.495 95 Q N -2.724 117.250 119.800 0.290 0.000 2.263 95 Q HA -0.227 4.248 4.340 0.225 0.000 0.196 95 Q C 2.793 178.831 176.000 0.062 0.000 0.965 95 Q CA 2.334 58.248 55.803 0.185 0.000 0.851 95 Q CB 0.658 29.483 28.738 0.145 0.000 0.948 95 Q HN -0.389 7.997 8.270 0.230 0.022 0.516 96 L N 1.636 122.885 121.223 0.043 0.000 1.978 96 L HA -0.361 3.987 4.340 0.012 0.000 0.218 96 L C 0.146 177.015 176.870 -0.002 0.000 1.075 96 L CA 3.097 57.946 54.840 0.014 0.000 0.767 96 L CB 0.289 42.352 42.059 0.007 0.000 0.890 96 L HN 0.192 8.346 8.230 0.052 0.106 0.434 97 A N -5.430 117.384 122.820 -0.011 0.000 2.532 97 A HA 0.331 4.634 4.320 -0.029 0.000 0.273 97 A C -0.402 177.136 177.584 -0.077 0.000 1.342 97 A CA -1.476 50.541 52.037 -0.034 0.000 0.929 97 A CB 0.299 19.281 19.000 -0.029 0.000 1.051 97 A HN -0.132 7.898 8.150 -0.001 0.120 0.521 98 G N -0.916 107.836 108.800 -0.079 0.000 2.449 98 G HA2 -0.415 3.599 3.960 -0.134 0.000 0.304 98 G HA3 -0.415 3.469 3.960 -0.125 0.000 0.304 98 G C 0.083 174.783 174.900 -0.333 0.000 0.962 98 G CA 0.600 45.604 45.100 -0.161 0.000 0.943 98 G HN -0.061 7.971 8.290 -0.033 0.237 0.514 99 G N -1.565 107.032 108.800 -0.339 0.000 2.432 99 G HA2 -0.029 3.771 3.960 -0.266 0.000 0.239 99 G HA3 -0.029 3.795 3.960 -0.227 0.000 0.239 99 G C -1.319 173.037 174.900 -0.907 0.000 1.291 99 G CA -0.333 44.533 45.100 -0.391 0.000 0.863 99 G HN -0.750 7.350 8.290 -0.193 0.074 0.560 100 I N -2.055 118.194 120.570 -0.535 0.000 4.092 100 I HA 0.380 4.027 4.170 -0.871 0.000 0.245 100 I C -1.243 174.814 176.117 -0.100 0.000 1.044 100 I CA -1.337 59.680 61.300 -0.473 0.000 1.433 100 I CB 2.424 40.222 38.000 -0.335 0.000 1.312 100 I HN -0.415 7.616 8.210 -0.298 0.000 0.417 101 G N -2.074 106.717 108.800 -0.015 0.000 2.552 101 G HA2 -0.303 3.674 3.960 0.029 0.000 0.265 101 G HA3 -0.303 3.664 3.960 0.011 0.000 0.265 101 G C -1.127 173.826 174.900 0.089 0.000 1.234 101 G CA -0.461 44.658 45.100 0.032 0.000 0.944 101 G HN -0.157 8.121 8.290 -0.021 0.000 0.568 102 E N 4.033 124.275 120.200 0.071 0.000 2.603 102 E HA -0.292 4.105 4.350 0.079 0.000 0.242 102 E C -0.012 176.661 176.600 0.122 0.000 1.083 102 E CA 1.114 57.564 56.400 0.083 0.000 0.950 102 E CB -0.289 29.447 29.700 0.061 0.000 0.952 102 E HN 0.054 8.443 8.360 0.048 0.000 0.498 103 R N 4.970 125.554 120.500 0.140 0.000 2.560 103 R HA 0.101 4.577 4.340 0.226 0.000 0.270 103 R C -2.063 174.302 176.300 0.108 0.000 1.074 103 R CA -1.781 54.411 56.100 0.153 0.000 1.140 103 R CB -0.245 30.121 30.300 0.110 0.000 1.073 103 R HN -0.240 8.103 8.270 0.122 0.000 0.527 104 P HA 0.126 4.624 4.420 0.131 0.000 0.280 104 P C -0.787 176.625 177.300 0.187 0.000 1.244 104 P CA -0.492 62.693 63.100 0.142 0.000 0.784 104 P CB 0.589 32.366 31.700 0.128 0.000 0.913 105 Q N 2.682 122.573 119.800 0.151 0.000 2.226 105 Q HA 0.430 4.824 4.340 0.090 0.000 0.256 105 Q C -1.839 174.179 176.000 0.030 0.000 0.962 105 Q CA -3.122 52.734 55.803 0.089 0.000 0.887 105 Q CB -0.127 28.639 28.738 0.046 0.000 1.282 105 Q HN 0.056 8.405 8.270 0.131 0.000 0.449 106 P HA 0.129 4.290 4.420 -0.433 0.000 0.281 106 P C 0.048 177.265 177.300 -0.138 0.000 1.252 106 P CA -0.325 62.622 63.100 -0.255 0.000 0.778 106 P CB 0.818 32.356 31.700 -0.270 0.000 0.895 107 S N 3.429 119.044 115.700 -0.141 0.000 2.359 107 S HA -0.288 4.159 4.470 -0.040 0.000 0.222 107 S C 0.593 175.154 174.600 -0.064 0.000 1.038 107 S CA 1.842 60.000 58.200 -0.071 0.000 1.051 107 S CB -0.024 63.141 63.200 -0.058 0.000 0.944 107 S HN 0.146 8.334 8.310 -0.203 0.000 0.433 108 G N 2.454 111.204 108.800 -0.084 0.000 3.399 108 G HA2 -0.181 3.735 3.960 -0.074 0.000 0.685 108 G HA3 -0.181 3.747 3.960 -0.054 0.000 0.685 108 G C -2.746 172.126 174.900 -0.046 0.000 0.952 108 G CA -0.756 44.306 45.100 -0.064 0.000 0.793 108 G HN -0.214 8.009 8.290 -0.113 0.000 0.492 109 P HA 0.062 4.463 4.420 -0.031 0.000 0.271 109 P C -1.615 175.669 177.300 -0.026 0.000 1.380 109 P CA -0.291 62.789 63.100 -0.033 0.000 0.992 109 P CB -0.271 31.408 31.700 -0.034 0.000 1.230 110 S N 3.981 119.668 115.700 -0.021 0.000 2.677 110 S HA 0.255 4.716 4.470 -0.016 0.000 0.283 110 S C -0.950 173.643 174.600 -0.012 0.000 1.159 110 S CA -0.031 58.159 58.200 -0.016 0.000 1.001 110 S CB 1.633 64.824 63.200 -0.015 0.000 1.032 110 S HN -0.109 8.188 8.310 -0.021 0.000 0.487 111 S N 3.401 119.095 115.700 -0.010 0.000 2.536 111 S HA 0.371 4.837 4.470 -0.007 0.000 0.271 111 S C -0.410 174.187 174.600 -0.006 0.000 1.134 111 S CA 0.531 58.726 58.200 -0.008 0.000 0.897 111 S CB 1.126 64.321 63.200 -0.008 0.000 1.094 111 S HN 0.369 8.673 8.310 -0.011 0.000 0.473 112 G N 0.000 108.797 108.800 -0.005 0.000 5.446 112 G HA2 0.000 nan 3.960 nan 0.000 0.244 112 G HA3 0.000 3.958 3.960 -0.004 0.000 0.244 112 G CA 0.000 45.098 45.100 -0.004 0.000 0.502 112 G HN 0.000 8.288 8.290 -0.004 0.000 0.925