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 1sbo_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNNLKLDIVE QDDKAIVRVQ GDIDAYNSSE LKEQLRNFIS TTSKKKIVLD DATA SEQUENCE LSSVSYMDSA GLGTLVVILK DAKINGKEFI LSSLKESISR ILKLTHLDKI DATA SEQUENCE FKITDTVEEA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.462 4.480 -0.030 0.000 0.227 1 M C 0.000 176.273 176.300 -0.046 0.000 1.140 1 M CA 0.000 55.279 55.300 -0.035 0.000 0.988 1 M CB 0.000 32.583 32.600 -0.029 0.000 1.302 2 N N 1.601 120.266 118.700 -0.060 0.000 2.519 2 N HA 0.153 4.853 4.740 -0.065 0.000 0.286 2 N C -2.066 173.377 175.510 -0.111 0.000 1.079 2 N CA 0.901 53.909 53.050 -0.070 0.000 0.878 2 N CB 0.751 39.206 38.487 -0.053 0.000 1.375 2 N HN 0.163 8.507 8.380 -0.060 0.000 0.514 3 N N 3.783 122.394 118.700 -0.148 0.000 2.827 3 N HA 0.020 4.623 4.740 -0.229 0.000 0.240 3 N C -1.731 173.642 175.510 -0.228 0.000 1.352 3 N CA 0.927 53.823 53.050 -0.256 0.000 0.760 3 N CB 0.624 38.861 38.487 -0.418 0.000 1.426 3 N HN 0.106 8.414 8.380 -0.120 0.000 0.561 4 L N 1.084 122.228 121.223 -0.130 0.000 0.917 4 L HA -0.341 4.191 4.340 -0.034 -0.213 0.366 4 L C -1.908 174.939 176.870 -0.038 0.000 1.004 4 L CA 1.181 55.985 54.840 -0.059 0.000 1.219 4 L CB -0.565 41.479 42.059 -0.024 0.000 0.252 4 L HN 0.014 8.182 8.230 -0.103 0.000 0.192 5 K N 4.335 124.724 120.400 -0.019 0.000 2.617 5 K HA 0.232 4.545 4.320 -0.012 0.000 0.293 5 K C -2.812 173.777 176.600 -0.019 0.000 1.034 5 K CA -1.058 55.218 56.287 -0.019 0.000 0.884 5 K CB 2.866 35.349 32.500 -0.028 0.000 1.541 5 K HN 0.464 8.708 8.250 -0.012 0.000 0.409 6 L N -1.751 119.452 121.223 -0.033 0.000 2.323 6 L HA 0.728 5.153 4.340 -0.042 -0.111 0.265 6 L C -0.894 175.935 176.870 -0.069 0.000 1.012 6 L CA -2.285 52.522 54.840 -0.054 0.000 0.820 6 L CB 1.435 43.447 42.059 -0.079 0.000 1.334 6 L HN 0.265 8.475 8.230 -0.034 0.000 0.427 7 D N -0.095 120.255 120.400 -0.082 0.000 2.463 7 D HA 0.139 4.742 4.640 -0.061 0.000 0.237 7 D C 0.191 176.426 176.300 -0.108 0.000 1.013 7 D CA 0.158 54.113 54.000 -0.075 0.000 0.910 7 D CB 2.531 43.299 40.800 -0.052 0.000 1.080 7 D HN 0.552 8.757 8.370 -0.081 0.116 0.498 8 I N -0.369 120.104 120.570 -0.162 0.000 8.555 8 I HA -0.484 3.678 4.170 -0.295 -0.169 0.126 8 I C -1.445 174.585 176.117 -0.145 0.000 1.837 8 I CA 0.961 62.104 61.300 -0.261 0.000 2.075 8 I CB -0.947 36.776 38.000 -0.462 0.000 3.814 8 I HN -0.506 7.614 8.210 -0.151 0.000 0.181 9 V N 6.923 126.781 119.914 -0.092 0.000 2.509 9 V HA 0.260 4.374 4.120 -0.010 0.000 0.289 9 V C -1.082 175.032 176.094 0.032 0.000 1.026 9 V CA -1.018 61.271 62.300 -0.018 0.000 0.872 9 V CB 1.878 33.691 31.823 -0.016 0.000 1.017 9 V HN 0.584 8.596 8.190 -0.109 0.112 0.436 10 E N 7.120 127.361 120.200 0.069 0.000 2.265 10 E HA -0.109 4.323 4.350 0.137 0.000 0.272 10 E C -0.938 175.698 176.600 0.060 0.000 1.067 10 E CA 1.068 57.528 56.400 0.100 0.000 0.900 10 E CB -0.300 29.468 29.700 0.112 0.000 1.017 10 E HN 0.421 8.815 8.360 0.057 0.000 0.431 11 Q N 5.487 125.322 119.800 0.057 0.000 2.500 11 Q HA 0.020 4.378 4.340 0.031 0.000 0.173 11 Q C 0.335 176.355 176.000 0.034 0.000 1.079 11 Q CA 0.106 55.932 55.803 0.038 0.000 0.960 11 Q CB 1.159 29.916 28.738 0.032 0.000 2.832 11 Q HN 0.455 8.769 8.270 0.073 0.000 0.476 12 D N -2.166 118.249 120.400 0.025 0.000 2.084 12 D HA -0.185 4.467 4.640 0.019 0.000 0.196 12 D C -0.062 176.251 176.300 0.021 0.000 0.985 12 D CA 2.566 56.578 54.000 0.020 0.000 0.826 12 D CB 0.356 41.165 40.800 0.014 0.000 0.978 12 D HN 0.205 8.589 8.370 0.022 0.000 0.456 13 D N -6.197 114.216 120.400 0.022 0.000 2.538 13 D HA 0.140 4.792 4.640 0.020 0.000 0.241 13 D C -2.109 174.207 176.300 0.028 0.000 1.297 13 D CA 0.108 54.120 54.000 0.021 0.000 0.804 13 D CB 1.725 42.532 40.800 0.013 0.000 1.122 13 D HN -0.058 8.325 8.370 0.022 0.000 0.519 14 K N -3.295 117.127 120.400 0.037 0.000 2.324 14 K HA 0.671 5.172 4.320 0.050 -0.152 0.253 14 K C -2.148 174.499 176.600 0.078 0.000 0.932 14 K CA -2.336 53.980 56.287 0.049 0.000 0.799 14 K CB 3.311 35.831 32.500 0.032 0.000 1.154 14 K HN -0.641 7.631 8.250 0.036 0.000 0.425 15 A N 4.039 126.931 122.820 0.120 0.000 2.273 15 A HA 0.444 4.868 4.320 0.173 0.000 0.320 15 A C -1.618 176.059 177.584 0.155 0.000 1.358 15 A CA -1.616 50.540 52.037 0.199 0.000 0.910 15 A CB 1.299 20.516 19.000 0.361 0.000 1.159 15 A HN 1.111 9.196 8.150 0.115 0.133 0.526 16 I N 5.999 126.616 120.570 0.079 0.000 2.260 16 I HA -0.062 4.251 4.170 0.042 -0.118 0.297 16 I C -0.451 175.648 176.117 -0.030 0.000 1.143 16 I CA 0.121 61.438 61.300 0.029 0.000 1.271 16 I CB -0.109 37.900 38.000 0.015 0.000 1.461 16 I HN 0.992 9.152 8.210 0.072 0.093 0.530 17 V N 9.732 129.626 119.914 -0.032 0.000 2.287 17 V HA -0.105 3.886 4.120 -0.214 0.000 0.246 17 V C -1.052 175.015 176.094 -0.044 0.000 1.165 17 V CA -0.490 61.745 62.300 -0.108 0.000 1.088 17 V CB -1.467 30.311 31.823 -0.075 0.000 1.242 17 V HN 1.098 9.204 8.190 0.035 0.105 0.497 18 R N 5.943 126.410 120.500 -0.056 0.000 2.537 18 R HA -0.193 4.141 4.340 -0.010 0.000 0.280 18 R C -1.028 175.255 176.300 -0.030 0.000 1.058 18 R CA 0.597 56.680 56.100 -0.029 0.000 1.057 18 R CB 0.330 30.612 30.300 -0.029 0.000 0.973 18 R HN -0.292 7.898 8.270 -0.082 0.031 0.438 19 V N 1.999 121.909 119.914 -0.007 0.000 2.732 19 V HA 0.304 4.516 4.120 -0.013 -0.099 0.310 19 V C -1.042 175.051 176.094 -0.003 0.000 1.053 19 V CA -1.587 60.712 62.300 -0.001 0.000 0.957 19 V CB 2.406 34.242 31.823 0.022 0.000 1.018 19 V HN 0.148 8.341 8.190 0.004 0.000 0.452 20 Q N 1.425 121.222 119.800 -0.005 0.000 2.347 20 Q HA 0.240 4.578 4.340 -0.003 0.000 0.271 20 Q C -1.225 174.773 176.000 -0.003 0.000 1.064 20 Q CA -1.423 54.376 55.803 -0.006 0.000 0.800 20 Q CB 4.106 32.834 28.738 -0.017 0.000 1.304 20 Q HN 0.779 8.953 8.270 -0.005 0.093 0.438 21 G N 1.927 110.729 108.800 0.002 0.000 2.663 21 G HA2 -0.357 3.604 3.960 0.003 0.000 0.686 21 G HA3 -0.357 3.600 3.960 -0.004 0.000 0.686 21 G C -1.657 173.266 174.900 0.040 0.000 1.246 21 G CA -0.924 44.181 45.100 0.009 0.000 0.795 21 G HN -0.230 8.062 8.290 0.005 0.000 0.627 22 D N -1.289 119.153 120.400 0.070 0.000 2.362 22 D HA -0.205 4.551 4.640 0.109 -0.050 0.238 22 D C -0.930 175.458 176.300 0.146 0.000 1.212 22 D CA 0.430 54.512 54.000 0.136 0.000 0.902 22 D CB 0.891 41.836 40.800 0.241 0.000 1.180 22 D HN 0.065 8.469 8.370 0.056 0.000 0.445 23 I N 0.076 120.739 120.570 0.155 0.000 2.390 23 I HA 0.261 4.498 4.170 0.112 0.000 0.283 23 I C -2.649 173.551 176.117 0.137 0.000 1.016 23 I CA -1.258 60.106 61.300 0.106 0.000 1.151 23 I CB 1.224 39.249 38.000 0.041 0.000 1.293 23 I HN -0.086 8.207 8.210 0.138 0.000 0.458 24 D N 6.582 127.093 120.400 0.186 0.000 2.958 24 D HA 0.188 4.941 4.640 0.189 0.000 0.306 24 D C -0.158 176.232 176.300 0.151 0.000 1.226 24 D CA -1.126 53.003 54.000 0.215 0.000 1.032 24 D CB 1.781 42.770 40.800 0.315 0.000 1.400 24 D HN -0.310 8.173 8.370 0.189 0.000 0.587 25 A N -1.609 121.276 122.820 0.108 0.000 1.997 25 A HA -0.305 4.017 4.320 0.003 0.000 0.221 25 A C 1.372 178.936 177.584 -0.034 0.000 1.172 25 A CA 2.630 54.667 52.037 0.001 0.000 0.645 25 A CB -0.463 18.491 19.000 -0.077 0.000 0.813 25 A HN 0.492 8.721 8.150 0.132 0.000 0.454 26 Y N -4.369 115.951 120.300 0.034 0.000 2.163 26 Y HA -0.376 4.186 4.550 0.020 0.000 0.288 26 Y C 2.193 178.108 175.900 0.026 0.000 1.136 26 Y CA 3.805 61.921 58.100 0.026 0.000 1.147 26 Y CB -0.257 38.217 38.460 0.023 0.000 0.987 26 Y HN -0.126 8.674 8.280 0.314 -0.332 0.509 27 N N -1.048 117.773 118.700 0.203 0.000 2.289 27 N HA -0.374 4.433 4.740 0.112 0.000 0.184 27 N C 1.910 177.468 175.510 0.080 0.000 1.016 27 N CA 2.888 56.010 53.050 0.121 0.000 0.872 27 N CB -0.486 38.063 38.487 0.105 0.000 0.973 27 N HN -0.188 8.291 8.380 0.211 0.028 0.433 28 S N -1.735 114.005 115.700 0.067 0.000 2.469 28 S HA -0.221 4.271 4.470 0.037 0.000 0.238 28 S C 0.028 174.643 174.600 0.026 0.000 0.998 28 S CA 2.271 60.493 58.200 0.036 0.000 0.957 28 S CB -0.132 63.080 63.200 0.020 0.000 0.764 28 S HN 0.195 8.356 8.310 0.084 0.200 0.514 29 S N -1.805 113.915 115.700 0.033 0.000 2.619 29 S HA 0.137 4.622 4.470 0.026 0.000 0.238 29 S C 0.969 175.596 174.600 0.045 0.000 1.068 29 S CA 1.183 59.402 58.200 0.031 0.000 0.926 29 S CB 1.511 64.722 63.200 0.019 0.000 0.864 29 S HN -0.706 7.573 8.310 0.050 0.061 0.493 30 E N 4.596 124.836 120.200 0.066 0.000 2.000 30 E HA -0.330 4.057 4.350 0.061 0.000 0.199 30 E C 1.429 178.061 176.600 0.054 0.000 1.011 30 E CA 3.833 60.274 56.400 0.068 0.000 0.836 30 E CB -0.149 29.606 29.700 0.091 0.000 0.778 30 E HN 0.135 8.506 8.360 0.083 0.039 0.462 31 L N -0.519 120.737 121.223 0.054 0.000 2.079 31 L HA -0.344 4.020 4.340 0.040 0.000 0.210 31 L C 1.607 178.504 176.870 0.045 0.000 1.081 31 L CA 2.771 57.639 54.840 0.046 0.000 0.752 31 L CB -0.250 41.839 42.059 0.050 0.000 0.896 31 L HN -0.587 7.681 8.230 0.064 0.000 0.433 32 K N -1.213 119.211 120.400 0.039 0.000 2.032 32 K HA -0.472 3.862 4.320 0.022 0.000 0.209 32 K C 2.465 179.086 176.600 0.035 0.000 1.048 32 K CA 3.733 60.038 56.287 0.029 0.000 0.927 32 K CB -0.317 32.196 32.500 0.023 0.000 0.712 32 K HN -0.785 7.468 8.250 0.042 0.022 0.441 33 E N -0.461 119.762 120.200 0.039 0.000 2.028 33 E HA -0.340 4.033 4.350 0.038 0.000 0.191 33 E C 2.612 179.249 176.600 0.062 0.000 0.988 33 E CA 3.320 59.746 56.400 0.044 0.000 0.799 33 E CB 0.021 29.745 29.700 0.040 0.000 0.755 33 E HN -0.128 8.164 8.360 0.040 0.092 0.447 34 Q N -3.142 116.695 119.800 0.062 0.000 2.541 34 Q HA -0.236 4.153 4.340 0.081 0.000 0.215 34 Q C 1.583 177.655 176.000 0.120 0.000 0.977 34 Q CA 2.369 58.214 55.803 0.070 0.000 0.934 34 Q CB -0.241 28.514 28.738 0.028 0.000 0.988 34 Q HN 0.094 8.394 8.270 0.051 0.000 0.521 35 L N -2.851 118.448 121.223 0.127 0.000 2.638 35 L HA 0.205 4.737 4.340 0.320 0.000 0.195 35 L C 1.209 178.158 176.870 0.130 0.000 1.065 35 L CA 1.103 56.050 54.840 0.179 0.000 0.859 35 L CB 1.001 43.125 42.059 0.108 0.000 1.269 35 L HN -0.435 7.733 8.230 0.089 0.116 0.484 36 R N -0.216 120.323 120.500 0.065 0.000 2.105 36 R HA -0.412 3.934 4.340 0.011 0.000 0.239 36 R C 1.937 178.256 176.300 0.031 0.000 1.135 36 R CA 3.568 59.685 56.100 0.029 0.000 0.967 36 R CB -0.526 29.782 30.300 0.013 0.000 0.861 36 R HN 0.203 8.505 8.270 0.054 0.000 0.442 37 N N -1.385 117.352 118.700 0.061 0.000 2.207 37 N HA -0.174 4.580 4.740 0.025 0.000 0.182 37 N C 1.220 176.773 175.510 0.071 0.000 1.020 37 N CA 2.476 55.560 53.050 0.057 0.000 0.858 37 N CB 0.155 38.683 38.487 0.069 0.000 0.991 37 N HN -0.263 8.148 8.380 0.079 0.016 0.427 38 F N 1.879 121.833 119.950 0.006 0.000 2.146 38 F HA -0.209 4.324 4.527 0.009 0.000 0.298 38 F C 1.573 177.378 175.800 0.008 0.000 1.096 38 F CA 2.816 60.822 58.000 0.009 0.000 1.275 38 F CB 0.182 39.190 39.000 0.014 0.000 1.008 38 F HN -0.749 7.626 8.300 0.255 0.078 0.480 39 I N -3.831 116.604 120.570 -0.225 0.000 2.399 39 I HA -0.486 3.422 4.170 -0.436 0.000 0.254 39 I C 0.719 176.695 176.117 -0.235 0.000 1.146 39 I CA 3.544 64.683 61.300 -0.270 0.000 1.412 39 I CB -0.356 37.599 38.000 -0.076 0.000 1.076 39 I HN 0.576 8.701 8.210 0.059 0.120 0.432 40 S N -1.155 114.447 115.700 -0.163 0.000 2.335 40 S HA -0.181 4.227 4.470 -0.104 0.000 0.217 40 S C 1.135 175.640 174.600 -0.158 0.000 1.032 40 S CA 2.781 60.909 58.200 -0.120 0.000 0.985 40 S CB 0.425 63.588 63.200 -0.062 0.000 0.896 40 S HN -0.418 7.649 8.310 -0.123 0.169 0.445 41 T N 1.133 115.578 114.554 -0.182 0.000 2.720 41 T HA -0.245 4.049 4.350 -0.094 0.000 0.268 41 T C 0.730 175.274 174.700 -0.261 0.000 1.037 41 T CA 3.177 65.176 62.100 -0.167 0.000 1.144 41 T CB 0.287 69.106 68.868 -0.082 0.000 0.864 41 T HN -0.367 7.777 8.240 -0.160 0.000 0.444 42 T N 2.005 116.239 114.554 -0.533 0.000 2.871 42 T HA -0.256 3.796 4.350 -0.496 0.000 0.296 42 T C -0.053 174.505 174.700 -0.237 0.000 0.998 42 T CA 1.475 63.228 62.100 -0.579 0.000 1.162 42 T CB 0.664 68.924 68.868 -1.013 0.000 0.947 42 T HN -0.151 7.532 8.240 -0.744 0.110 0.536 43 S N 7.116 122.747 115.700 -0.115 0.000 2.406 43 S HA -0.203 4.232 4.470 -0.058 0.000 0.228 43 S C 0.520 175.099 174.600 -0.036 0.000 1.020 43 S CA 2.350 60.519 58.200 -0.051 0.000 0.965 43 S CB 0.453 63.647 63.200 -0.010 0.000 0.798 43 S HN 0.632 9.235 8.310 -0.076 -0.339 0.488 44 K N 1.837 122.225 120.400 -0.019 0.000 2.183 44 K HA 0.181 4.505 4.320 0.006 0.000 0.274 44 K C 0.237 176.836 176.600 -0.002 0.000 1.009 44 K CA -0.837 55.457 56.287 0.012 0.000 0.888 44 K CB 0.953 33.488 32.500 0.060 0.000 1.078 44 K HN -0.872 7.527 8.250 -0.016 -0.159 0.459 45 K N 3.937 124.338 120.400 0.002 0.000 2.116 45 K HA -0.182 4.127 4.320 -0.019 0.000 0.203 45 K C 0.630 177.249 176.600 0.031 0.000 1.052 45 K CA 2.913 59.201 56.287 0.001 0.000 0.952 45 K CB 0.518 33.017 32.500 -0.002 0.000 0.729 45 K HN 0.617 8.869 8.250 0.003 0.000 0.446 46 K N 1.540 121.965 120.400 0.041 0.000 2.127 46 K HA -0.028 4.317 4.320 0.042 0.000 0.261 46 K C -1.460 175.190 176.600 0.083 0.000 1.129 46 K CA -0.802 55.513 56.287 0.047 0.000 0.993 46 K CB -0.362 32.154 32.500 0.026 0.000 1.410 46 K HN -0.813 7.457 8.250 0.035 0.000 0.380 47 I N 7.779 128.423 120.570 0.123 0.000 2.311 47 I HA 0.061 4.540 4.170 0.219 -0.177 0.297 47 I C -0.655 175.558 176.117 0.160 0.000 1.131 47 I CA -2.076 59.343 61.300 0.198 0.000 1.289 47 I CB -2.207 35.951 38.000 0.264 0.000 1.446 47 I HN -0.116 8.063 8.210 0.118 0.102 0.524 48 V N 8.245 128.222 119.914 0.105 0.000 2.546 48 V HA 0.152 4.419 4.120 -0.007 -0.151 0.284 48 V C -0.967 175.174 176.094 0.079 0.000 1.050 48 V CA -0.710 61.619 62.300 0.047 0.000 0.981 48 V CB 0.484 32.322 31.823 0.023 0.000 0.990 48 V HN 0.638 8.899 8.190 0.118 0.000 0.474 49 L N 6.118 127.384 121.223 0.070 0.000 2.325 49 L HA 0.705 5.331 4.340 0.087 -0.233 0.278 49 L C -0.967 175.931 176.870 0.046 0.000 1.023 49 L CA -2.085 52.811 54.840 0.093 0.000 0.811 49 L CB 2.256 44.429 42.059 0.190 0.000 1.249 49 L HN 0.648 8.780 8.230 0.016 0.107 0.431 50 D N 2.163 122.584 120.400 0.036 0.000 2.425 50 D HA 0.407 5.221 4.640 0.015 -0.165 0.240 50 D C -0.267 176.047 176.300 0.023 0.000 1.080 50 D CA -0.450 53.562 54.000 0.020 0.000 0.836 50 D CB 2.591 43.395 40.800 0.007 0.000 1.125 50 D HN 0.134 8.526 8.370 0.037 0.000 0.525 51 L N 5.572 126.809 121.223 0.022 0.000 2.965 51 L HA 0.389 4.744 4.340 0.026 0.000 0.254 51 L C 0.621 177.499 176.870 0.014 0.000 1.220 51 L CA -2.130 52.723 54.840 0.023 0.000 1.023 51 L CB -2.074 40.002 42.059 0.027 0.000 1.355 51 L HN 0.888 9.130 8.230 0.019 0.000 0.545 52 S N 2.077 117.782 115.700 0.009 0.000 2.419 52 S HA -0.332 4.252 4.470 0.005 -0.111 0.235 52 S C 0.794 175.398 174.600 0.008 0.000 1.019 52 S CA 3.413 61.617 58.200 0.006 0.000 0.982 52 S CB -0.134 63.068 63.200 0.003 0.000 0.789 52 S HN -0.298 8.225 8.310 0.009 -0.209 0.490 53 S N -2.388 113.318 115.700 0.009 0.000 2.556 53 S HA 0.076 4.552 4.470 0.009 0.000 0.216 53 S C -1.104 173.509 174.600 0.021 0.000 0.970 53 S CA 0.144 58.350 58.200 0.011 0.000 0.912 53 S CB 0.379 63.582 63.200 0.005 0.000 0.790 53 S HN 0.023 8.313 8.310 0.009 0.025 0.504 54 V N 3.339 123.267 119.914 0.024 0.000 2.267 54 V HA -0.024 4.297 4.120 0.046 -0.173 0.254 54 V C -0.943 175.176 176.094 0.041 0.000 1.144 54 V CA -0.048 62.273 62.300 0.034 0.000 0.992 54 V CB -1.467 30.370 31.823 0.023 0.000 1.199 54 V HN -0.404 7.614 8.190 0.018 0.183 0.493 55 S N 5.020 120.758 115.700 0.065 0.000 2.461 55 S HA -0.215 4.286 4.470 0.052 0.000 0.228 55 S C -1.216 173.466 174.600 0.136 0.000 1.005 55 S CA 2.184 60.431 58.200 0.078 0.000 0.942 55 S CB 0.771 64.014 63.200 0.071 0.000 0.776 55 S HN -0.366 7.984 8.310 0.067 0.000 0.514 56 Y N -3.033 117.267 120.300 -0.000 0.000 2.588 56 Y HA 0.118 4.666 4.550 -0.004 0.000 0.343 56 Y C -2.860 173.042 175.900 0.002 0.000 1.065 56 Y CA -0.758 57.342 58.100 -0.000 0.000 1.038 56 Y CB 2.773 41.235 38.460 0.004 0.000 1.297 56 Y HN -0.713 7.650 8.280 0.191 0.032 0.467 57 M N 5.019 124.065 119.600 -0.923 0.000 2.324 57 M HA 0.484 4.891 4.480 -0.434 -0.187 0.288 57 M C -2.602 173.095 176.300 -1.006 0.000 1.097 57 M CA -1.175 53.702 55.300 -0.706 0.000 0.928 57 M CB 3.563 35.959 32.600 -0.339 0.000 1.648 57 M HN 0.085 7.612 8.290 -1.272 0.000 0.460 58 D N 5.798 125.875 120.400 -0.539 0.000 2.387 58 D HA 0.320 4.818 4.640 -0.236 0.000 0.255 58 D C 0.436 176.659 176.300 -0.129 0.000 1.081 58 D CA -1.472 52.404 54.000 -0.206 0.000 0.994 58 D CB 2.995 43.846 40.800 0.085 0.000 1.127 58 D HN 0.375 8.570 8.370 -0.291 0.000 0.513 59 S N 1.942 117.600 115.700 -0.070 0.000 2.420 59 S HA -0.326 4.099 4.470 -0.076 0.000 0.237 59 S C 1.445 176.026 174.600 -0.030 0.000 1.023 59 S CA 3.290 61.459 58.200 -0.052 0.000 0.991 59 S CB 0.136 63.320 63.200 -0.028 0.000 0.792 59 S HN 0.525 8.815 8.310 -0.034 0.000 0.488 60 A N 0.401 123.217 122.820 -0.007 0.000 1.873 60 A HA -0.267 4.058 4.320 0.009 0.000 0.218 60 A C 1.752 179.339 177.584 0.005 0.000 1.193 60 A CA 2.829 54.872 52.037 0.010 0.000 0.629 60 A CB -0.720 18.302 19.000 0.038 0.000 0.826 60 A HN -0.060 8.395 8.150 0.003 -0.303 0.447 61 G N -2.045 106.750 108.800 -0.009 0.000 2.631 61 G HA2 -0.406 3.709 3.960 0.014 0.000 0.219 61 G HA3 -0.406 3.527 3.960 -0.045 0.000 0.219 61 G C 1.212 176.105 174.900 -0.013 0.000 1.214 61 G CA 2.106 47.198 45.100 -0.014 0.000 0.785 61 G HN -0.529 7.661 8.290 -0.022 0.087 0.596 62 L N -1.133 120.059 121.223 -0.052 0.000 2.093 62 L HA -0.182 4.107 4.340 -0.086 0.000 0.208 62 L C 2.296 179.168 176.870 0.004 0.000 1.085 62 L CA 2.198 56.993 54.840 -0.076 0.000 0.755 62 L CB -1.155 40.809 42.059 -0.159 0.000 0.904 62 L HN -0.939 7.249 8.230 -0.070 0.000 0.435 63 G N -2.851 105.953 108.800 0.007 0.000 2.443 63 G HA2 -0.277 3.707 3.960 0.040 0.000 0.219 63 G HA3 -0.277 3.692 3.960 0.015 0.000 0.219 63 G C 0.800 175.719 174.900 0.032 0.000 1.131 63 G CA 2.266 47.382 45.100 0.026 0.000 0.775 63 G HN -0.191 8.092 8.290 -0.011 0.000 0.547 64 T N 3.307 117.879 114.554 0.029 0.000 3.043 64 T HA -0.073 4.286 4.350 0.016 0.000 0.263 64 T C 0.667 175.383 174.700 0.027 0.000 1.094 64 T CA 3.299 65.414 62.100 0.025 0.000 1.127 64 T CB 0.207 69.092 68.868 0.028 0.000 0.905 64 T HN -0.400 7.674 8.240 0.026 0.182 0.490 65 L N 0.288 121.551 121.223 0.068 0.000 2.145 65 L HA -0.056 4.273 4.340 -0.018 0.000 0.201 65 L C 2.142 179.034 176.870 0.036 0.000 1.075 65 L CA 2.972 57.861 54.840 0.081 0.000 0.773 65 L CB 0.399 42.613 42.059 0.259 0.000 0.936 65 L HN -0.162 8.016 8.230 0.079 0.100 0.451 66 V N -0.028 120.025 119.914 0.233 0.000 2.490 66 V HA -0.398 3.753 4.120 0.050 0.000 0.250 66 V C 1.634 177.710 176.094 -0.030 0.000 1.061 66 V CA 3.134 65.534 62.300 0.167 0.000 1.064 66 V CB -0.483 31.529 31.823 0.315 0.000 0.670 66 V HN 0.332 8.698 8.190 0.293 0.000 0.461 67 V N 1.855 121.756 119.914 -0.023 0.000 2.490 67 V HA -0.315 3.784 4.120 -0.035 0.000 0.250 67 V C 1.596 177.633 176.094 -0.095 0.000 1.061 67 V CA 3.264 65.537 62.300 -0.044 0.000 1.064 67 V CB -0.534 31.277 31.823 -0.019 0.000 0.670 67 V HN -0.668 7.513 8.190 0.011 0.016 0.461 68 I N -2.227 118.252 120.570 -0.153 0.000 2.830 68 I HA -0.211 4.044 4.170 -0.127 -0.161 0.263 68 I C 1.802 177.748 176.117 -0.286 0.000 1.230 68 I CA 1.041 62.218 61.300 -0.204 0.000 1.480 68 I CB -2.078 35.778 38.000 -0.241 0.000 1.095 68 I HN -0.355 7.639 8.210 -0.148 0.127 0.455 69 L N 0.363 121.380 121.223 -0.344 0.000 2.083 69 L HA -0.356 3.761 4.340 -0.373 0.000 0.209 69 L C 1.432 178.214 176.870 -0.147 0.000 1.083 69 L CA 3.682 58.340 54.840 -0.303 0.000 0.752 69 L CB -0.358 41.531 42.059 -0.284 0.000 0.899 69 L HN -0.246 7.622 8.230 -0.321 0.169 0.433 70 K N -1.053 119.282 120.400 -0.109 0.000 1.984 70 K HA -0.371 3.916 4.320 -0.055 0.000 0.209 70 K C 1.888 178.449 176.600 -0.065 0.000 1.046 70 K CA 3.302 59.549 56.287 -0.067 0.000 0.934 70 K CB -0.382 32.090 32.500 -0.047 0.000 0.717 70 K HN -0.766 7.404 8.250 -0.118 0.009 0.438 71 D N -0.714 119.643 120.400 -0.072 0.000 2.133 71 D HA -0.343 4.271 4.640 -0.044 0.000 0.195 71 D C 2.346 178.613 176.300 -0.055 0.000 0.997 71 D CA 3.099 57.065 54.000 -0.057 0.000 0.840 71 D CB -0.502 40.267 40.800 -0.053 0.000 0.947 71 D HN -0.639 7.683 8.370 -0.079 0.000 0.452 72 A N -0.455 122.326 122.820 -0.065 0.000 1.865 72 A HA -0.353 3.945 4.320 -0.036 0.000 0.217 72 A C 1.916 179.481 177.584 -0.031 0.000 1.191 72 A CA 3.398 55.411 52.037 -0.040 0.000 0.623 72 A CB -0.614 18.373 19.000 -0.022 0.000 0.826 72 A HN 0.506 8.483 8.150 -0.097 0.115 0.444 73 K N -1.954 118.427 120.400 -0.033 0.000 2.360 73 K HA -0.208 4.102 4.320 -0.018 0.000 0.201 73 K C 1.692 178.276 176.600 -0.027 0.000 1.046 73 K CA 2.117 58.389 56.287 -0.025 0.000 0.945 73 K CB -0.291 32.193 32.500 -0.026 0.000 0.750 73 K HN -0.753 7.469 8.250 -0.046 0.000 0.464 74 I N -2.367 118.184 120.570 -0.032 0.000 2.546 74 I HA -0.283 3.872 4.170 -0.025 0.000 0.255 74 I C 1.166 177.265 176.117 -0.031 0.000 1.163 74 I CA 2.129 63.412 61.300 -0.029 0.000 1.457 74 I CB 0.118 38.100 38.000 -0.030 0.000 1.092 74 I HN -0.117 7.900 8.210 -0.038 0.170 0.434 75 N N -1.345 117.333 118.700 -0.036 0.000 2.204 75 N HA 0.122 4.839 4.740 -0.038 0.000 0.219 75 N C -0.351 175.138 175.510 -0.036 0.000 1.151 75 N CA -1.248 51.777 53.050 -0.042 0.000 0.867 75 N CB 0.435 38.886 38.487 -0.060 0.000 1.043 75 N HN -0.425 7.800 8.380 -0.038 0.133 0.516 76 G N -0.869 107.915 108.800 -0.026 0.000 2.350 76 G HA2 -0.398 3.554 3.960 -0.014 0.000 0.298 76 G HA3 -0.398 3.551 3.960 -0.018 0.000 0.298 76 G C -0.793 174.097 174.900 -0.016 0.000 1.037 76 G CA 0.839 45.928 45.100 -0.019 0.000 1.074 76 G HN -0.375 7.717 8.290 -0.026 0.183 0.511 77 K N -1.385 119.008 120.400 -0.012 0.000 2.156 77 K HA 0.143 4.461 4.320 -0.002 0.000 0.250 77 K C -1.387 175.232 176.600 0.032 0.000 0.955 77 K CA -2.530 53.758 56.287 0.002 0.000 0.855 77 K CB 2.291 34.785 32.500 -0.010 0.000 1.101 77 K HN -0.141 7.967 8.250 -0.017 0.132 0.434 78 E N 0.012 120.242 120.200 0.049 0.000 2.322 78 E HA 0.110 4.496 4.350 0.061 0.000 0.257 78 E C -0.823 175.873 176.600 0.159 0.000 1.155 78 E CA -1.018 55.423 56.400 0.069 0.000 0.936 78 E CB 2.397 32.117 29.700 0.033 0.000 1.130 78 E HN 0.210 8.480 8.360 0.043 0.116 0.465 79 F N 1.114 121.042 119.950 -0.037 0.000 2.651 79 F HA 0.723 5.452 4.527 -0.008 -0.207 0.329 79 F C -1.877 173.900 175.800 -0.038 0.000 1.186 79 F CA -1.168 56.808 58.000 -0.040 0.000 1.046 79 F CB 2.675 41.621 39.000 -0.090 0.000 1.296 79 F HN 0.107 8.451 8.300 0.073 0.000 0.497 80 I N 5.713 125.824 120.570 -0.765 0.000 2.865 80 I HA 0.239 3.947 4.170 -0.770 0.000 0.302 80 I C -2.232 173.561 176.117 -0.540 0.000 1.140 80 I CA -1.294 59.615 61.300 -0.651 0.000 1.021 80 I CB 4.529 42.372 38.000 -0.261 0.000 1.233 80 I HN 0.812 8.808 8.210 -0.355 0.000 0.427 81 L N 2.734 123.748 121.223 -0.349 0.000 2.334 81 L HA 0.370 4.794 4.340 -0.024 -0.099 0.276 81 L C -1.439 175.397 176.870 -0.056 0.000 1.014 81 L CA -0.857 53.926 54.840 -0.095 0.000 0.815 81 L CB 2.061 44.133 42.059 0.021 0.000 1.268 81 L HN 0.125 8.162 8.230 -0.322 0.000 0.428 82 S N -0.027 115.663 115.700 -0.017 0.000 2.618 82 S HA 0.545 5.149 4.470 -0.019 -0.145 0.277 82 S C -0.516 174.083 174.600 -0.000 0.000 1.138 82 S CA -1.747 56.445 58.200 -0.014 0.000 0.844 82 S CB 2.788 65.978 63.200 -0.018 0.000 1.127 82 S HN 0.700 8.897 8.310 0.003 0.116 0.474 83 S N 0.775 116.474 115.700 -0.003 0.000 3.561 83 S HA -0.387 4.209 4.470 -0.002 -0.127 0.318 83 S C -1.026 173.575 174.600 0.002 0.000 1.181 83 S CA 1.190 59.390 58.200 -0.000 0.000 0.916 83 S CB -0.931 62.270 63.200 0.001 0.000 0.966 83 S HN 0.526 8.729 8.310 -0.007 0.103 0.550 84 L N -1.027 120.196 121.223 0.001 0.000 2.513 84 L HA -0.182 4.159 4.340 0.002 0.000 0.272 84 L C -0.091 176.776 176.870 -0.005 0.000 1.187 84 L CA 0.953 55.792 54.840 -0.001 0.000 0.895 84 L CB 0.246 42.303 42.059 -0.004 0.000 1.147 84 L HN -0.569 7.634 8.230 -0.001 0.026 0.483 85 K N 3.237 123.633 120.400 -0.005 0.000 2.319 85 K HA -0.136 4.183 4.320 -0.003 0.000 0.265 85 K C 0.956 177.549 176.600 -0.011 0.000 1.000 85 K CA 0.248 56.532 56.287 -0.005 0.000 0.943 85 K CB 0.695 33.195 32.500 -0.001 0.000 0.950 85 K HN 0.104 8.352 8.250 -0.004 0.000 0.485 86 E N 3.134 123.329 120.200 -0.008 0.000 2.204 86 E HA -0.323 4.019 4.350 -0.013 0.000 0.194 86 E C 2.134 178.725 176.600 -0.016 0.000 0.989 86 E CA 3.220 59.613 56.400 -0.011 0.000 0.824 86 E CB -0.039 29.657 29.700 -0.007 0.000 0.756 86 E HN 0.626 8.984 8.360 -0.004 0.000 0.477 87 S N -3.299 112.393 115.700 -0.013 0.000 2.555 87 S HA -0.142 4.318 4.470 -0.016 0.000 0.230 87 S C 0.801 175.378 174.600 -0.038 0.000 0.978 87 S CA 1.882 60.072 58.200 -0.017 0.000 0.934 87 S CB -0.407 62.793 63.200 0.000 0.000 0.766 87 S HN 0.007 8.292 8.310 -0.007 0.021 0.533 88 I N -2.170 118.373 120.570 -0.045 0.000 4.197 88 I HA 0.108 4.222 4.170 -0.094 0.000 0.307 88 I C 0.768 176.844 176.117 -0.068 0.000 1.236 88 I CA 0.263 61.522 61.300 -0.068 0.000 1.321 88 I CB 1.308 39.274 38.000 -0.057 0.000 1.309 88 I HN -0.226 7.764 8.210 -0.032 0.201 0.450 89 S N 2.803 118.475 115.700 -0.047 0.000 2.359 89 S HA -0.484 3.960 4.470 -0.044 0.000 0.223 89 S C 1.705 176.274 174.600 -0.052 0.000 1.039 89 S CA 4.731 62.906 58.200 -0.042 0.000 1.042 89 S CB -0.141 63.044 63.200 -0.025 0.000 0.915 89 S HN 0.603 8.892 8.310 -0.035 0.000 0.439 90 R N -0.031 120.441 120.500 -0.047 0.000 2.117 90 R HA -0.298 4.016 4.340 -0.044 0.000 0.243 90 R C 2.013 178.267 176.300 -0.077 0.000 1.143 90 R CA 3.193 59.262 56.100 -0.051 0.000 0.968 90 R CB -0.643 29.634 30.300 -0.039 0.000 0.863 90 R HN -0.620 7.627 8.270 -0.039 0.000 0.444 91 I N -0.069 120.446 120.570 -0.092 0.000 2.142 91 I HA -0.411 3.690 4.170 -0.114 0.000 0.240 91 I C 1.932 177.959 176.117 -0.150 0.000 1.078 91 I CA 3.500 64.727 61.300 -0.121 0.000 1.343 91 I CB -0.087 37.833 38.000 -0.134 0.000 1.046 91 I HN -1.009 6.995 8.210 -0.083 0.156 0.405 92 L N -0.947 120.185 121.223 -0.150 0.000 1.989 92 L HA -0.554 3.647 4.340 -0.230 0.000 0.211 92 L C 2.059 178.838 176.870 -0.152 0.000 1.071 92 L CA 3.898 58.629 54.840 -0.183 0.000 0.749 92 L CB -0.729 41.222 42.059 -0.179 0.000 0.890 92 L HN 0.131 8.284 8.230 -0.129 0.000 0.431 93 K N -0.734 119.605 120.400 -0.103 0.000 2.009 93 K HA -0.340 3.956 4.320 -0.039 0.000 0.210 93 K C 2.822 179.350 176.600 -0.121 0.000 1.049 93 K CA 3.176 59.421 56.287 -0.070 0.000 0.929 93 K CB -0.296 32.182 32.500 -0.037 0.000 0.714 93 K HN -0.347 7.850 8.250 -0.089 0.000 0.440 94 L N -0.547 120.586 121.223 -0.150 0.000 1.990 94 L HA -0.293 3.958 4.340 -0.148 0.000 0.213 94 L C 2.080 178.677 176.870 -0.455 0.000 1.072 94 L CA 2.654 57.372 54.840 -0.203 0.000 0.755 94 L CB 0.098 42.074 42.059 -0.139 0.000 0.889 94 L HN 0.470 8.512 8.230 -0.122 0.115 0.432 95 T N -3.490 110.816 114.554 -0.413 0.000 3.317 95 T HA -0.036 3.936 4.350 -0.630 0.000 0.250 95 T C -1.063 173.313 174.700 -0.540 0.000 1.106 95 T CA 0.994 62.796 62.100 -0.496 0.000 0.986 95 T CB -0.591 68.126 68.868 -0.252 0.000 1.010 95 T HN -0.074 8.001 8.240 -0.274 0.000 0.560 96 H N -4.871 114.177 119.070 -0.038 0.000 3.010 96 H HA -0.356 4.303 4.556 -0.013 -0.110 0.272 96 H C -0.409 174.907 175.328 -0.020 0.000 1.151 96 H CA 1.130 57.167 56.048 -0.019 0.000 1.159 96 H CB -3.074 26.687 29.762 -0.001 0.000 1.295 96 H HN -0.155 7.530 8.280 -0.615 0.226 0.344 97 L N -1.798 119.386 121.223 -0.065 0.000 2.131 97 L HA -0.104 4.206 4.340 -0.050 0.000 0.206 97 L C 1.441 178.273 176.870 -0.064 0.000 1.087 97 L CA 2.613 57.362 54.840 -0.153 0.000 0.767 97 L CB -0.827 40.993 42.059 -0.398 0.000 0.917 97 L HN 0.614 8.622 8.230 -0.149 0.133 0.441 98 D N -0.903 119.472 120.400 -0.041 0.000 2.097 98 D HA -0.281 4.390 4.640 0.052 0.000 0.195 98 D C 1.508 177.874 176.300 0.111 0.000 0.989 98 D CA 3.654 57.674 54.000 0.034 0.000 0.827 98 D CB -0.129 40.672 40.800 0.001 0.000 0.966 98 D HN -0.482 7.739 8.370 -0.068 0.108 0.456 99 K N -2.277 118.183 120.400 0.100 0.000 2.442 99 K HA -0.175 4.197 4.320 0.088 0.000 0.199 99 K C 0.826 177.511 176.600 0.141 0.000 1.044 99 K CA 2.033 58.385 56.287 0.108 0.000 0.941 99 K CB -0.670 31.888 32.500 0.096 0.000 0.759 99 K HN 0.391 8.689 8.250 0.079 0.000 0.472 100 I N -6.680 114.024 120.570 0.223 0.000 4.225 100 I HA 0.160 4.436 4.170 0.177 0.000 0.327 100 I C -1.306 175.064 176.117 0.421 0.000 1.422 100 I CA -0.163 61.301 61.300 0.273 0.000 1.150 100 I CB 1.160 39.319 38.000 0.265 0.000 1.192 100 I HN -0.483 7.684 8.210 0.251 0.194 0.440 101 F N 1.359 121.364 119.950 0.092 0.000 2.914 101 F HA 0.301 4.965 4.527 0.228 0.000 0.379 101 F C -1.426 174.378 175.800 0.008 0.000 1.324 101 F CA -1.323 56.751 58.000 0.123 0.000 1.112 101 F CB 2.426 41.515 39.000 0.148 0.000 1.574 101 F HN -0.561 7.870 8.300 0.395 0.105 0.483 102 K N -0.029 120.394 120.400 0.038 0.000 2.513 102 K HA 0.208 4.523 4.320 -0.008 0.000 0.251 102 K C -2.280 174.274 176.600 -0.077 0.000 0.939 102 K CA -0.652 55.592 56.287 -0.072 0.000 0.793 102 K CB 1.928 34.311 32.500 -0.195 0.000 1.241 102 K HN 0.036 8.312 8.250 0.043 0.000 0.431 103 I N 6.041 126.591 120.570 -0.033 0.000 2.498 103 I HA 0.760 5.095 4.170 -0.040 -0.189 0.290 103 I C -0.614 175.483 176.117 -0.033 0.000 1.032 103 I CA -1.157 60.128 61.300 -0.025 0.000 1.073 103 I CB 3.437 41.440 38.000 0.005 0.000 1.251 103 I HN 0.342 8.540 8.210 -0.020 0.000 0.426 104 T N 5.029 119.561 114.554 -0.037 0.000 2.742 104 T HA 0.429 4.766 4.350 -0.021 0.000 0.282 104 T C -0.397 174.292 174.700 -0.019 0.000 1.025 104 T CA -2.026 60.058 62.100 -0.027 0.000 1.020 104 T CB 2.810 71.657 68.868 -0.034 0.000 1.317 104 T HN 0.749 8.965 8.240 -0.041 0.000 0.538 105 D N -1.255 119.136 120.400 -0.014 0.000 2.431 105 D HA 0.175 4.809 4.640 -0.008 0.000 0.227 105 D C -0.343 175.952 176.300 -0.008 0.000 1.030 105 D CA 1.952 55.946 54.000 -0.010 0.000 0.897 105 D CB 2.157 42.952 40.800 -0.008 0.000 1.058 105 D HN 0.282 8.643 8.370 -0.015 0.000 0.500 106 T N -5.405 109.144 114.554 -0.009 0.000 2.907 106 T HA 0.344 4.691 4.350 -0.006 0.000 0.292 106 T C 1.184 175.878 174.700 -0.009 0.000 1.043 106 T CA -2.110 59.986 62.100 -0.007 0.000 1.003 106 T CB 2.776 71.641 68.868 -0.006 0.000 1.084 106 T HN -0.700 7.533 8.240 -0.012 0.000 0.483 107 V N 0.413 120.323 119.914 -0.006 0.000 2.720 107 V HA -0.306 3.808 4.120 -0.010 0.000 0.256 107 V C 0.816 176.907 176.094 -0.005 0.000 1.082 107 V CA 2.879 65.175 62.300 -0.006 0.000 1.101 107 V CB -0.349 31.474 31.823 -0.000 0.000 0.693 107 V HN 0.730 8.917 8.190 -0.004 0.000 0.479 108 E N -0.676 119.521 120.200 -0.004 0.000 2.150 108 E HA -0.333 4.016 4.350 -0.001 0.000 0.193 108 E C 1.249 177.845 176.600 -0.007 0.000 0.985 108 E CA 2.939 59.337 56.400 -0.003 0.000 0.814 108 E CB -0.532 29.167 29.700 -0.002 0.000 0.752 108 E HN 0.116 8.442 8.360 -0.004 0.031 0.466 109 E N -2.747 117.446 120.200 -0.010 0.000 2.502 109 E HA -0.088 4.255 4.350 -0.011 0.000 0.194 109 E C -0.951 175.637 176.600 -0.020 0.000 1.062 109 E CA -0.490 55.902 56.400 -0.013 0.000 0.867 109 E CB 0.029 29.721 29.700 -0.013 0.000 0.888 109 E HN -0.577 7.663 8.360 -0.010 0.115 0.510 110 A N 0.000 122.806 122.820 -0.023 0.000 2.254 110 A HA 0.000 4.294 4.320 -0.044 0.000 0.244 110 A CA 0.000 52.017 52.037 -0.033 0.000 0.836 110 A CB 0.000 18.975 19.000 -0.041 0.000 0.831 110 A HN 0.000 7.945 8.150 -0.017 0.194 0.486