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 3ia0_1_W DATA FIRST_RESID 3 DATA SEQUENCE KERIIQEFVP GKQVTLAHLI AHPGEELAKK IGVPDAVAIG IMTLTPGETA DATA SEQUENCE MIAGDLALKA ADVHIGFLDR FSGALVIYGS VGAVEEALSQ TVSGLGRLLN DATA SEQUENCE YTLCEMTKSL E 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 3 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 3 K C 0.000 176.603 176.600 0.004 0.000 0.988 3 K CA 0.000 56.289 56.287 0.004 0.000 0.838 3 K CB 0.000 32.502 32.500 0.004 0.000 1.064 4 E N 1.238 121.441 120.200 0.005 0.000 2.272 4 E HA 0.363 4.712 4.350 -0.001 0.000 0.269 4 E C -1.386 175.219 176.600 0.007 0.000 0.877 4 E CA -0.661 55.742 56.400 0.006 0.000 0.755 4 E CB 2.241 31.945 29.700 0.006 0.000 1.192 4 E HN 0.212 8.572 8.360 -0.000 0.000 0.422 5 R N 2.775 123.280 120.500 0.008 0.000 2.295 5 R HA 0.478 4.818 4.340 -0.001 0.000 0.324 5 R C -0.443 175.863 176.300 0.011 0.000 0.968 5 R CA -0.689 55.417 56.100 0.010 0.000 0.837 5 R CB 0.977 31.283 30.300 0.009 0.000 1.133 5 R HN 0.323 8.593 8.270 -0.000 0.000 0.450 6 I N 4.722 125.300 120.570 0.014 0.000 2.509 6 I HA 0.387 4.556 4.170 -0.001 0.000 0.293 6 I C 0.369 176.499 176.117 0.020 0.000 1.020 6 I CA -0.989 60.320 61.300 0.015 0.000 1.088 6 I CB 1.855 39.865 38.000 0.016 0.000 1.267 6 I HN 0.535 8.745 8.210 -0.000 0.000 0.430 7 I N 5.158 125.738 120.570 0.017 0.000 2.428 7 I HA 0.238 4.408 4.170 -0.001 0.000 0.289 7 I C -0.008 176.123 176.117 0.024 0.000 1.019 7 I CA -0.376 60.937 61.300 0.021 0.000 1.351 7 I CB 0.710 38.715 38.000 0.009 0.000 1.412 7 I HN 0.463 8.673 8.210 -0.000 0.000 0.513 8 Q N 6.137 125.964 119.800 0.044 0.000 2.337 8 Q HA 0.313 4.652 4.340 -0.001 0.000 0.264 8 Q C -1.227 174.806 176.000 0.054 0.000 1.007 8 Q CA -0.560 55.278 55.803 0.058 0.000 0.727 8 Q CB 2.016 30.808 28.738 0.090 0.000 1.256 8 Q HN 0.521 8.791 8.270 -0.000 0.000 0.467 9 E N 3.265 123.450 120.200 -0.025 0.000 2.166 9 E HA 0.135 4.485 4.350 -0.001 0.000 0.279 9 E C -0.662 175.879 176.600 -0.099 0.000 1.095 9 E CA -0.206 56.102 56.400 -0.153 0.000 0.888 9 E CB 0.259 29.872 29.700 -0.145 0.000 1.041 9 E HN 0.354 8.714 8.360 -0.000 0.000 0.414 10 F N 1.527 121.476 119.950 -0.002 0.000 2.385 10 F HA 0.558 5.085 4.527 -0.001 0.000 0.336 10 F C -0.061 175.737 175.800 -0.004 0.000 1.100 10 F CA -1.199 56.800 58.000 -0.002 0.000 1.116 10 F CB 0.576 39.576 39.000 0.001 0.000 1.166 10 F HN 0.069 8.369 8.300 -0.000 0.000 0.511 11 V N -0.150 119.879 119.914 0.192 0.000 3.087 11 V HA 0.695 4.815 4.120 -0.001 0.000 0.306 11 V C -2.762 173.394 176.094 0.103 0.000 1.187 11 V CA -2.083 60.287 62.300 0.116 0.000 0.999 11 V CB 1.070 32.907 31.823 0.025 0.000 1.049 11 V HN 0.760 8.950 8.190 -0.000 0.000 0.431 12 P HA 0.518 4.938 4.420 -0.000 0.000 0.271 12 P C 0.346 177.640 177.300 -0.009 0.000 1.216 12 P CA 0.453 63.576 63.100 0.038 0.000 0.776 12 P CB 0.718 32.438 31.700 0.032 0.000 0.881 13 G N 1.543 110.325 108.800 -0.030 0.000 2.580 13 G HA2 0.378 4.338 3.960 -0.001 0.000 0.278 13 G HA3 0.378 4.338 3.960 -0.001 0.000 0.278 13 G C -0.820 173.980 174.900 -0.167 0.000 1.212 13 G CA -0.716 44.336 45.100 -0.080 0.000 0.939 13 G HN 0.412 8.702 8.290 -0.000 0.000 0.513 14 K N 0.616 120.837 120.400 -0.297 0.000 2.389 14 K HA 0.328 4.648 4.320 -0.001 0.000 0.261 14 K C -0.661 175.588 176.600 -0.587 0.000 1.014 14 K CA -0.219 55.651 56.287 -0.696 0.000 0.920 14 K CB 1.516 33.419 32.500 -0.995 0.000 1.149 14 K HN 0.601 8.851 8.250 -0.000 0.000 0.444 15 Q N 1.991 121.625 119.800 -0.278 0.000 2.352 15 Q HA 0.224 4.564 4.340 -0.001 0.000 0.270 15 Q C -1.639 174.483 176.000 0.204 0.000 1.006 15 Q CA -0.695 55.123 55.803 0.025 0.000 0.880 15 Q CB 2.012 30.744 28.738 -0.009 0.000 1.392 15 Q HN 0.301 8.571 8.270 -0.000 0.000 0.401 16 V N 3.995 124.044 119.914 0.225 0.000 2.353 16 V HA 0.199 4.318 4.120 -0.001 0.000 0.264 16 V C 0.652 176.799 176.094 0.089 0.000 1.049 16 V CA 0.017 62.404 62.300 0.146 0.000 0.896 16 V CB 0.826 32.715 31.823 0.109 0.000 1.025 16 V HN 0.996 9.186 8.190 -0.000 0.000 0.475 17 T N 5.362 119.959 114.554 0.072 0.000 2.976 17 T HA 0.211 4.560 4.350 -0.001 0.000 0.257 17 T C 0.228 174.957 174.700 0.049 0.000 1.051 17 T CA 0.892 63.023 62.100 0.052 0.000 1.141 17 T CB -0.047 68.847 68.868 0.044 0.000 0.881 17 T HN 0.551 8.791 8.240 -0.000 0.000 0.461 18 L N -1.759 119.496 121.223 0.052 0.000 2.466 18 L HA 0.921 5.261 4.340 -0.001 0.000 0.258 18 L C -1.483 175.425 176.870 0.063 0.000 0.973 18 L CA -1.795 53.080 54.840 0.058 0.000 0.826 18 L CB 1.692 43.784 42.059 0.054 0.000 1.372 18 L HN -0.143 8.087 8.230 -0.000 0.000 0.409 19 A N 0.746 123.610 122.820 0.074 0.000 2.605 19 A HA 0.686 5.006 4.320 -0.001 0.000 0.293 19 A C -1.525 176.110 177.584 0.084 0.000 1.216 19 A CA -0.212 51.861 52.037 0.059 0.000 0.742 19 A CB -0.022 18.992 19.000 0.024 0.000 1.170 19 A HN 0.956 9.106 8.150 -0.000 0.000 0.443 20 H N 2.074 121.140 119.070 -0.006 0.000 2.495 20 H HA 0.641 5.197 4.556 -0.001 0.000 0.348 20 H C -0.887 174.435 175.328 -0.011 0.000 1.113 20 H CA -0.625 55.421 56.048 -0.004 0.000 1.195 20 H CB 1.381 31.145 29.762 0.004 0.000 1.521 20 H HN 0.576 8.856 8.280 -0.000 0.000 0.509 21 L N 6.965 127.957 121.223 -0.384 0.000 2.295 21 L HA 0.472 4.811 4.340 -0.001 0.000 0.285 21 L C -1.231 175.524 176.870 -0.191 0.000 1.035 21 L CA -0.564 54.148 54.840 -0.213 0.000 0.806 21 L CB 0.629 42.578 42.059 -0.184 0.000 1.214 21 L HN 0.792 9.022 8.230 -0.000 0.000 0.426 22 I N 5.534 126.086 120.570 -0.030 0.000 2.495 22 I HA 0.310 4.480 4.170 -0.001 0.000 0.277 22 I C 0.224 176.306 176.117 -0.058 0.000 1.045 22 I CA -0.429 60.880 61.300 0.015 0.000 1.135 22 I CB 1.664 39.729 38.000 0.107 0.000 1.241 22 I HN 0.728 8.938 8.210 -0.000 0.000 0.469 23 A N 4.040 126.776 122.820 -0.140 0.000 2.363 23 A HA 0.475 4.794 4.320 -0.001 0.000 0.270 23 A C 0.128 177.496 177.584 -0.360 0.000 1.121 23 A CA 0.037 51.844 52.037 -0.384 0.000 0.800 23 A CB -0.304 18.372 19.000 -0.540 0.000 1.052 23 A HN 0.937 9.087 8.150 -0.000 0.000 0.493 24 H N -0.099 118.984 119.070 0.021 0.000 2.847 24 H HA -0.116 4.439 4.556 -0.001 0.000 0.336 24 H C -2.248 173.094 175.328 0.023 0.000 1.221 24 H CA 0.265 56.324 56.048 0.018 0.000 1.162 24 H CB -1.527 28.244 29.762 0.014 0.000 1.566 24 H HN 0.604 8.884 8.280 -0.000 0.000 0.430 25 P HA 0.068 4.488 4.420 -0.000 0.000 0.220 25 P C 1.069 178.405 177.300 0.060 0.000 1.152 25 P CA 1.632 64.769 63.100 0.062 0.000 0.812 25 P CB 0.597 32.321 31.700 0.041 0.000 0.792 26 G N 0.142 108.978 108.800 0.060 0.000 2.690 26 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.686 26 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.686 26 G C 0.485 175.401 174.900 0.026 0.000 1.277 26 G CA -0.058 45.068 45.100 0.043 0.000 0.799 26 G HN 0.212 8.502 8.290 -0.000 0.000 0.613 27 E N -0.152 120.058 120.200 0.017 0.000 2.106 27 E HA -0.146 4.204 4.350 -0.001 0.000 0.192 27 E C 2.014 178.618 176.600 0.007 0.000 0.984 27 E CA 1.581 57.986 56.400 0.007 0.000 0.806 27 E CB -0.005 29.697 29.700 0.003 0.000 0.750 27 E HN 0.674 9.034 8.360 -0.000 0.000 0.458 28 E N 0.248 120.454 120.200 0.011 0.000 2.031 28 E HA -0.224 4.126 4.350 -0.001 0.000 0.193 28 E C 2.245 178.853 176.600 0.014 0.000 0.994 28 E CA 1.158 57.564 56.400 0.010 0.000 0.800 28 E CB -0.181 29.525 29.700 0.010 0.000 0.752 28 E HN 0.264 8.624 8.360 -0.000 0.000 0.447 29 L N 0.933 122.167 121.223 0.020 0.000 2.042 29 L HA -0.106 4.234 4.340 -0.001 0.000 0.210 29 L C 2.314 179.201 176.870 0.029 0.000 1.076 29 L CA 2.256 57.112 54.840 0.026 0.000 0.749 29 L CB -0.807 41.272 42.059 0.033 0.000 0.893 29 L HN 0.260 8.490 8.230 -0.000 0.000 0.432 30 A N -0.770 122.063 122.820 0.021 0.000 1.908 30 A HA -0.286 4.034 4.320 -0.001 0.000 0.218 30 A C 2.461 180.051 177.584 0.010 0.000 1.181 30 A CA 2.100 54.144 52.037 0.012 0.000 0.627 30 A CB -0.616 18.378 19.000 -0.009 0.000 0.818 30 A HN 0.493 8.643 8.150 -0.000 0.000 0.445 31 K N -0.540 119.863 120.400 0.005 0.000 2.026 31 K HA -0.167 4.153 4.320 -0.001 0.000 0.208 31 K C 2.045 178.651 176.600 0.009 0.000 1.048 31 K CA 1.450 57.738 56.287 0.002 0.000 0.929 31 K CB -0.086 32.413 32.500 -0.001 0.000 0.713 31 K HN 0.191 8.441 8.250 -0.000 0.000 0.439 32 K N 0.743 121.152 120.400 0.013 0.000 2.044 32 K HA -0.151 4.168 4.320 -0.001 0.000 0.210 32 K C 2.070 178.686 176.600 0.026 0.000 1.049 32 K CA 1.443 57.739 56.287 0.014 0.000 0.927 32 K CB -0.390 32.120 32.500 0.017 0.000 0.713 32 K HN 0.296 8.546 8.250 -0.000 0.000 0.443 33 I N -0.056 120.548 120.570 0.057 0.000 2.546 33 I HA -0.121 4.049 4.170 -0.001 0.000 0.255 33 I C 0.910 177.116 176.117 0.148 0.000 1.163 33 I CA 0.883 62.256 61.300 0.122 0.000 1.457 33 I CB -0.235 37.855 38.000 0.151 0.000 1.092 33 I HN 0.384 8.594 8.210 -0.000 0.000 0.434 34 G N 1.821 110.670 108.800 0.081 0.000 2.204 34 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.244 34 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.244 34 G C 0.005 174.961 174.900 0.094 0.000 1.062 34 G CA 0.175 45.319 45.100 0.074 0.000 0.798 34 G HN 0.362 8.652 8.290 -0.000 0.000 0.496 35 V N -3.772 116.157 119.914 0.025 0.000 3.074 35 V HA 0.968 5.087 4.120 -0.001 0.000 0.314 35 V C -2.186 173.795 176.094 -0.188 0.000 1.117 35 V CA -2.842 59.398 62.300 -0.101 0.000 1.014 35 V CB 1.753 33.524 31.823 -0.086 0.000 1.057 35 V HN 0.075 8.265 8.190 -0.000 0.000 0.438 36 P HA 0.272 4.692 4.420 -0.000 0.000 0.269 36 P C -0.874 176.316 177.300 -0.183 0.000 1.215 36 P CA 0.229 63.156 63.100 -0.290 0.000 0.780 36 P CB 0.326 31.762 31.700 -0.440 0.000 0.898 37 D N 1.136 121.473 120.400 -0.104 0.000 2.354 37 D HA 0.415 5.055 4.640 -0.001 0.000 0.247 37 D C 0.390 176.666 176.300 -0.040 0.000 1.138 37 D CA 0.613 54.581 54.000 -0.054 0.000 0.958 37 D CB 0.243 41.025 40.800 -0.029 0.000 1.144 37 D HN 0.470 8.840 8.370 -0.000 0.000 0.458 38 A N -0.258 122.558 122.820 -0.006 0.000 2.887 38 A HA -0.073 4.246 4.320 -0.001 0.000 0.257 38 A C 0.204 177.797 177.584 0.015 0.000 1.372 38 A CA 1.087 53.133 52.037 0.016 0.000 0.879 38 A CB -2.460 16.546 19.000 0.010 0.000 1.082 38 A HN 1.099 9.249 8.150 -0.000 0.000 0.703 39 V N -4.414 115.501 119.914 0.003 0.000 2.962 39 V HA 0.994 5.113 4.120 -0.001 0.000 0.313 39 V C 0.470 176.568 176.094 0.007 0.000 1.099 39 V CA -0.615 61.701 62.300 0.026 0.000 0.971 39 V CB 1.451 33.322 31.823 0.079 0.000 1.028 39 V HN 1.952 10.142 8.190 -0.000 0.000 0.430 40 A N 3.508 126.324 122.820 -0.007 0.000 2.327 40 A HA 0.819 5.139 4.320 -0.001 0.000 0.255 40 A C -0.224 177.377 177.584 0.028 0.000 1.099 40 A CA -0.409 51.602 52.037 -0.043 0.000 0.801 40 A CB 0.234 19.186 19.000 -0.080 0.000 1.062 40 A HN 0.980 9.130 8.150 -0.000 0.000 0.496 41 I N -0.272 120.305 120.570 0.012 0.000 2.619 41 I HA 0.489 4.659 4.170 -0.001 0.000 0.292 41 I C 0.295 176.425 176.117 0.020 0.000 1.100 41 I CA -0.441 60.885 61.300 0.043 0.000 1.043 41 I CB 2.442 40.472 38.000 0.050 0.000 1.239 41 I HN 0.758 8.968 8.210 -0.000 0.000 0.420 42 G N 6.822 115.627 108.800 0.008 0.000 2.416 42 G HA2 0.772 4.731 3.960 -0.001 0.000 0.324 42 G HA3 0.772 4.731 3.960 -0.001 0.000 0.324 42 G C -1.057 173.835 174.900 -0.013 0.000 1.194 42 G CA -0.352 44.744 45.100 -0.008 0.000 0.922 42 G HN 0.439 8.729 8.290 -0.000 0.000 0.467 43 I N 2.108 122.694 120.570 0.026 0.000 2.447 43 I HA 0.421 4.591 4.170 -0.001 0.000 0.287 43 I C -0.256 175.880 176.117 0.033 0.000 1.023 43 I CA -0.452 60.862 61.300 0.023 0.000 1.083 43 I CB 2.124 40.163 38.000 0.065 0.000 1.245 43 I HN 0.185 8.395 8.210 -0.000 0.000 0.434 44 M N 5.055 124.660 119.600 0.008 0.000 2.393 44 M HA 0.407 4.886 4.480 -0.001 0.000 0.299 44 M C -0.417 175.905 176.300 0.035 0.000 1.103 44 M CA -0.671 54.641 55.300 0.021 0.000 0.910 44 M CB 2.597 35.197 32.600 -0.000 0.000 1.659 44 M HN 0.560 8.850 8.290 -0.000 0.000 0.445 45 T N 2.171 116.754 114.554 0.048 0.000 2.794 45 T HA 0.840 5.190 4.350 -0.001 0.000 0.280 45 T C -0.868 173.873 174.700 0.069 0.000 0.987 45 T CA -0.640 61.496 62.100 0.059 0.000 0.993 45 T CB 0.795 69.697 68.868 0.056 0.000 0.939 45 T HN 0.624 8.864 8.240 -0.000 0.000 0.449 46 L N 2.590 123.860 121.223 0.080 0.000 2.401 46 L HA 0.697 5.036 4.340 -0.001 0.000 0.266 46 L C -0.265 176.672 176.870 0.113 0.000 0.991 46 L CA -0.923 53.984 54.840 0.112 0.000 0.818 46 L CB 2.861 44.980 42.059 0.100 0.000 1.321 46 L HN 0.728 8.958 8.230 -0.000 0.000 0.413 47 T N 1.909 116.544 114.554 0.135 0.000 2.881 47 T HA 0.476 4.826 4.350 -0.001 0.000 0.290 47 T C -2.700 172.040 174.700 0.068 0.000 1.000 47 T CA -1.182 60.965 62.100 0.079 0.000 0.978 47 T CB 2.312 71.198 68.868 0.030 0.000 0.997 47 T HN 0.283 8.523 8.240 -0.000 0.000 0.443 48 P HA 0.217 4.637 4.420 -0.000 0.000 0.277 48 P C 1.155 178.497 177.300 0.070 0.000 1.276 48 P CA -0.285 62.850 63.100 0.057 0.000 0.788 48 P CB 0.458 32.185 31.700 0.044 0.000 1.114 49 G N 0.121 108.950 108.800 0.049 0.000 2.432 49 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.219 49 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.219 49 G C 1.115 176.014 174.900 -0.003 0.000 1.135 49 G CA 0.596 45.717 45.100 0.034 0.000 0.767 49 G HN 0.446 8.736 8.290 -0.000 0.000 0.550 50 E N 0.329 120.523 120.200 -0.010 0.000 2.409 50 E HA 0.003 4.352 4.350 -0.001 0.000 0.198 50 E C 2.560 179.160 176.600 -0.000 0.000 1.024 50 E CA 0.840 57.221 56.400 -0.031 0.000 0.861 50 E CB -0.332 29.353 29.700 -0.024 0.000 0.788 50 E HN 0.318 8.678 8.360 -0.000 0.000 0.521 51 T N 0.116 114.696 114.554 0.044 0.000 2.929 51 T HA -0.140 4.209 4.350 -0.001 0.000 0.271 51 T C 1.894 176.588 174.700 -0.010 0.000 1.085 51 T CA 0.970 63.096 62.100 0.045 0.000 1.125 51 T CB -0.191 68.760 68.868 0.138 0.000 0.874 51 T HN 0.301 8.541 8.240 -0.000 0.000 0.494 52 A N 1.586 124.404 122.820 -0.003 0.000 1.972 52 A HA -0.060 4.259 4.320 -0.001 0.000 0.219 52 A C 2.257 179.822 177.584 -0.031 0.000 1.169 52 A CA 1.367 53.396 52.037 -0.013 0.000 0.635 52 A CB -0.636 18.370 19.000 0.010 0.000 0.810 52 A HN 0.517 8.667 8.150 -0.000 0.000 0.446 53 M N -0.704 118.874 119.600 -0.036 0.000 2.200 53 M HA -0.001 4.479 4.480 -0.001 0.000 0.265 53 M C 1.980 178.251 176.300 -0.048 0.000 1.066 53 M CA 1.305 56.581 55.300 -0.041 0.000 1.127 53 M CB -0.501 32.074 32.600 -0.043 0.000 1.379 53 M HN 0.346 8.636 8.290 -0.000 0.000 0.420 54 I N 0.509 121.047 120.570 -0.053 0.000 2.179 54 I HA -0.224 3.945 4.170 -0.001 0.000 0.242 54 I C 2.815 178.879 176.117 -0.088 0.000 1.088 54 I CA 1.267 62.525 61.300 -0.070 0.000 1.357 54 I CB -0.732 37.218 38.000 -0.083 0.000 1.051 54 I HN 0.257 8.467 8.210 -0.000 0.000 0.409 55 A N 1.188 123.951 122.820 -0.095 0.000 1.933 55 A HA -0.117 4.203 4.320 -0.001 0.000 0.218 55 A C 2.449 179.984 177.584 -0.083 0.000 1.175 55 A CA 1.864 53.842 52.037 -0.098 0.000 0.628 55 A CB -1.448 17.498 19.000 -0.090 0.000 0.814 55 A HN 0.472 8.622 8.150 -0.000 0.000 0.444 56 G N -0.021 108.736 108.800 -0.071 0.000 2.476 56 G HA2 -0.354 3.606 3.960 -0.001 0.000 0.218 56 G HA3 -0.354 3.606 3.960 -0.001 0.000 0.218 56 G C 1.315 176.168 174.900 -0.078 0.000 1.164 56 G CA 1.551 46.608 45.100 -0.072 0.000 0.768 56 G HN 0.571 8.861 8.290 -0.000 0.000 0.560 57 D N 0.362 120.720 120.400 -0.071 0.000 2.092 57 D HA -0.108 4.531 4.640 -0.001 0.000 0.193 57 D C 2.632 178.887 176.300 -0.074 0.000 0.994 57 D CA 0.905 54.864 54.000 -0.069 0.000 0.828 57 D CB -0.368 40.396 40.800 -0.060 0.000 0.963 57 D HN 0.300 8.670 8.370 -0.000 0.000 0.450 58 L N 0.130 121.307 121.223 -0.077 0.000 1.990 58 L HA -0.215 4.125 4.340 -0.001 0.000 0.213 58 L C 2.707 179.531 176.870 -0.077 0.000 1.072 58 L CA 1.509 56.303 54.840 -0.076 0.000 0.755 58 L CB -0.859 41.148 42.059 -0.086 0.000 0.889 58 L HN 0.110 8.340 8.230 -0.000 0.000 0.432 59 A N 0.066 122.836 122.820 -0.083 0.000 1.908 59 A HA -0.179 4.141 4.320 -0.001 0.000 0.218 59 A C 2.266 179.794 177.584 -0.095 0.000 1.181 59 A CA 1.485 53.470 52.037 -0.086 0.000 0.627 59 A CB -0.764 18.182 19.000 -0.091 0.000 0.818 59 A HN 0.376 8.526 8.150 -0.000 0.000 0.445 60 L N -0.967 120.191 121.223 -0.107 0.000 2.079 60 L HA -0.206 4.133 4.340 -0.001 0.000 0.210 60 L C 2.426 179.236 176.870 -0.100 0.000 1.081 60 L CA 1.740 56.505 54.840 -0.126 0.000 0.752 60 L CB -0.363 41.614 42.059 -0.136 0.000 0.896 60 L HN 0.377 8.607 8.230 -0.000 0.000 0.433 61 K N -0.591 119.760 120.400 -0.081 0.000 2.365 61 K HA 0.044 4.364 4.320 -0.001 0.000 0.197 61 K C 2.006 178.573 176.600 -0.056 0.000 1.042 61 K CA 0.724 56.972 56.287 -0.065 0.000 0.987 61 K CB 0.111 32.577 32.500 -0.057 0.000 0.779 61 K HN 0.244 8.494 8.250 -0.000 0.000 0.484 62 A N 1.086 123.870 122.820 -0.060 0.000 1.984 62 A HA 0.329 4.649 4.320 -0.001 0.000 0.214 62 A C 0.903 178.459 177.584 -0.046 0.000 1.173 62 A CA 0.933 52.940 52.037 -0.051 0.000 0.673 62 A CB 0.199 19.167 19.000 -0.053 0.000 0.830 62 A HN 0.242 8.392 8.150 -0.000 0.000 0.453 63 A N -1.139 121.649 122.820 -0.052 0.000 2.557 63 A HA 0.526 4.845 4.320 -0.001 0.000 0.292 63 A C -1.705 175.851 177.584 -0.046 0.000 1.139 63 A CA -0.234 51.777 52.037 -0.043 0.000 0.665 63 A CB 0.174 19.149 19.000 -0.041 0.000 1.285 63 A HN -0.050 8.100 8.150 -0.000 0.000 0.433 64 D N 1.114 121.497 120.400 -0.027 0.000 2.551 64 D HA 0.409 5.049 4.640 -0.001 0.000 0.223 64 D C 0.027 176.330 176.300 0.005 0.000 1.144 64 D CA 0.416 54.412 54.000 -0.006 0.000 1.025 64 D CB -0.451 40.357 40.800 0.014 0.000 1.085 64 D HN 0.729 9.099 8.370 -0.000 0.000 0.506 65 V N -0.286 119.604 119.914 -0.039 0.000 3.158 65 V HA 0.664 4.783 4.120 -0.001 0.000 0.315 65 V C -0.226 175.787 176.094 -0.135 0.000 1.148 65 V CA -0.814 61.436 62.300 -0.082 0.000 1.042 65 V CB 2.234 33.982 31.823 -0.125 0.000 1.101 65 V HN 0.318 8.508 8.190 -0.000 0.000 0.448 66 H N -0.004 118.734 119.070 -0.552 0.000 2.895 66 H HA 0.558 5.114 4.556 -0.001 0.000 0.373 66 H C -1.148 173.850 175.328 -0.549 0.000 1.174 66 H CA -0.722 54.963 56.048 -0.605 0.000 1.144 66 H CB 2.582 31.850 29.762 -0.823 0.000 1.793 66 H HN 0.588 8.868 8.280 -0.000 0.000 0.551 67 I N 2.184 122.658 120.570 -0.159 0.000 2.363 67 I HA 0.012 4.181 4.170 -0.001 0.000 0.292 67 I C 1.520 177.739 176.117 0.170 0.000 1.075 67 I CA 0.149 61.426 61.300 -0.039 0.000 1.333 67 I CB 1.038 39.024 38.000 -0.023 0.000 1.415 67 I HN 0.804 9.014 8.210 -0.000 0.000 0.502 68 G N 7.489 116.424 108.800 0.226 0.000 2.433 68 G HA2 -0.086 3.873 3.960 -0.001 0.000 0.216 68 G HA3 -0.086 3.873 3.960 -0.001 0.000 0.216 68 G C 0.296 175.366 174.900 0.284 0.000 1.186 68 G CA 0.753 46.042 45.100 0.315 0.000 0.779 68 G HN 0.658 8.948 8.290 -0.000 0.000 0.543 69 F N -3.050 116.974 119.950 0.125 0.000 2.741 69 F HA 0.708 5.234 4.527 -0.000 0.000 0.311 69 F C -1.588 174.253 175.800 0.068 0.000 1.149 69 F CA -1.588 56.464 58.000 0.088 0.000 0.930 69 F CB 1.478 40.525 39.000 0.079 0.000 1.312 69 F HN 0.042 8.342 8.300 -0.000 0.000 0.450 70 L N 2.213 123.632 121.223 0.326 0.000 2.406 70 L HA 0.500 4.840 4.340 -0.001 0.000 0.272 70 L C -1.743 175.279 176.870 0.253 0.000 0.980 70 L CA -0.381 54.573 54.840 0.190 0.000 0.831 70 L CB 1.522 43.631 42.059 0.083 0.000 1.253 70 L HN 0.805 9.035 8.230 -0.000 0.000 0.406 71 D N 4.370 124.921 120.400 0.252 0.000 2.464 71 D HA 0.194 4.833 4.640 -0.001 0.000 0.243 71 D C 0.885 177.251 176.300 0.110 0.000 1.104 71 D CA -0.479 53.669 54.000 0.247 0.000 0.883 71 D CB 1.124 42.111 40.800 0.312 0.000 1.050 71 D HN 0.646 9.016 8.370 -0.000 0.000 0.524 72 R N 2.194 122.647 120.500 -0.079 0.000 2.323 72 R HA 0.043 4.383 4.340 -0.001 0.000 0.198 72 R C 0.343 176.430 176.300 -0.355 0.000 0.988 72 R CA 0.640 56.585 56.100 -0.258 0.000 1.041 72 R CB -0.216 29.852 30.300 -0.386 0.000 0.926 72 R HN 0.217 8.487 8.270 -0.000 0.000 0.476 73 F N 0.875 120.853 119.950 0.048 0.000 2.298 73 F HA 0.085 4.612 4.527 -0.000 0.000 0.282 73 F C 2.728 178.551 175.800 0.038 0.000 1.045 73 F CA 0.823 58.845 58.000 0.037 0.000 1.280 73 F CB -0.439 38.577 39.000 0.025 0.000 1.114 73 F HN 0.084 8.384 8.300 -0.000 0.000 0.546 74 S N -0.328 115.528 115.700 0.260 0.000 2.461 74 S HA 0.248 4.718 4.470 -0.001 0.000 0.228 74 S C 1.796 176.468 174.600 0.120 0.000 1.005 74 S CA 0.664 58.958 58.200 0.158 0.000 0.942 74 S CB -0.301 62.985 63.200 0.144 0.000 0.776 74 S HN 0.723 9.033 8.310 -0.000 0.000 0.514 75 G N 0.757 109.626 108.800 0.115 0.000 2.131 75 G HA2 -0.001 3.959 3.960 -0.001 0.000 0.223 75 G HA3 -0.001 3.959 3.960 -0.001 0.000 0.223 75 G C 0.135 175.091 174.900 0.093 0.000 0.990 75 G CA -0.072 45.080 45.100 0.086 0.000 0.671 75 G HN 1.220 9.510 8.290 -0.000 0.000 0.521 76 A N -0.518 122.383 122.820 0.136 0.000 2.340 76 A HA 0.872 5.192 4.320 -0.001 0.000 0.268 76 A C -0.196 177.449 177.584 0.102 0.000 1.100 76 A CA 0.224 52.350 52.037 0.149 0.000 0.803 76 A CB 1.306 20.468 19.000 0.271 0.000 1.043 76 A HN 1.676 9.826 8.150 -0.000 0.000 0.488 77 L N 2.544 123.760 121.223 -0.011 0.000 2.516 77 L HA 0.610 4.949 4.340 -0.001 0.000 0.267 77 L C -1.458 175.252 176.870 -0.267 0.000 0.957 77 L CA -0.163 54.600 54.840 -0.127 0.000 0.860 77 L CB 2.083 44.099 42.059 -0.072 0.000 1.265 77 L HN 0.410 8.640 8.230 -0.000 0.000 0.403 78 V N 6.289 125.878 119.914 -0.542 0.000 2.409 78 V HA 0.565 4.684 4.120 -0.001 0.000 0.291 78 V C 0.171 176.113 176.094 -0.255 0.000 1.020 78 V CA -0.413 61.602 62.300 -0.475 0.000 0.848 78 V CB 1.520 32.846 31.823 -0.829 0.000 0.990 78 V HN 0.759 8.949 8.190 -0.000 0.000 0.430 79 I N 3.327 123.825 120.570 -0.119 0.000 2.982 79 I HA 0.912 5.081 4.170 -0.001 0.000 0.312 79 I C -0.817 175.330 176.117 0.050 0.000 1.041 79 I CA -0.925 60.328 61.300 -0.078 0.000 1.053 79 I CB 2.262 40.188 38.000 -0.122 0.000 1.248 79 I HN 0.681 8.891 8.210 -0.000 0.000 0.471 80 Y N 0.732 121.022 120.300 -0.016 0.000 2.655 80 Y HA 0.974 5.523 4.550 -0.001 0.000 0.336 80 Y C -0.244 175.658 175.900 0.004 0.000 1.154 80 Y CA -0.387 57.705 58.100 -0.014 0.000 1.055 80 Y CB 1.140 39.593 38.460 -0.013 0.000 1.295 80 Y HN 1.121 9.401 8.280 -0.000 0.000 0.465 81 G N 0.328 109.232 108.800 0.173 0.000 2.339 81 G HA2 0.389 4.349 3.960 -0.001 0.000 0.275 81 G HA3 0.389 4.349 3.960 -0.001 0.000 0.275 81 G C -1.115 173.812 174.900 0.046 0.000 1.323 81 G CA -0.552 44.592 45.100 0.074 0.000 0.927 81 G HN 1.420 9.710 8.290 -0.000 0.000 0.486 82 S N -0.613 115.096 115.700 0.015 0.000 2.576 82 S HA 0.345 4.814 4.470 -0.001 0.000 0.272 82 S C 1.635 176.221 174.600 -0.022 0.000 1.352 82 S CA 0.327 58.526 58.200 -0.001 0.000 1.021 82 S CB 1.450 64.649 63.200 -0.001 0.000 0.887 82 S HN 1.476 9.786 8.310 -0.000 0.000 0.542 83 V N 3.037 122.926 119.914 -0.041 0.000 2.392 83 V HA -0.103 4.016 4.120 -0.001 0.000 0.249 83 V C 2.694 178.762 176.094 -0.044 0.000 1.059 83 V CA 2.377 64.639 62.300 -0.062 0.000 1.051 83 V CB -1.796 29.980 31.823 -0.079 0.000 0.658 83 V HN 1.063 9.253 8.190 -0.000 0.000 0.455 84 G N -0.648 108.135 108.800 -0.029 0.000 2.404 84 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.215 84 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.215 84 G C 1.777 176.661 174.900 -0.027 0.000 1.174 84 G CA 0.951 46.036 45.100 -0.025 0.000 0.780 84 G HN 0.597 8.887 8.290 -0.000 0.000 0.537 85 A N 0.241 123.046 122.820 -0.024 0.000 1.877 85 A HA 0.056 4.376 4.320 -0.001 0.000 0.216 85 A C 2.598 180.159 177.584 -0.038 0.000 1.186 85 A CA 1.881 53.902 52.037 -0.028 0.000 0.620 85 A CB -0.769 18.218 19.000 -0.021 0.000 0.822 85 A HN 0.254 8.404 8.150 -0.000 0.000 0.443 86 V N 0.104 119.995 119.914 -0.039 0.000 2.407 86 V HA -0.274 3.846 4.120 -0.001 0.000 0.248 86 V C 2.527 178.591 176.094 -0.049 0.000 1.055 86 V CA 2.352 64.625 62.300 -0.045 0.000 1.049 86 V CB -0.696 31.104 31.823 -0.037 0.000 0.662 86 V HN 0.771 8.961 8.190 -0.000 0.000 0.455 87 E N 0.043 120.214 120.200 -0.048 0.000 2.072 87 E HA -0.288 4.062 4.350 -0.001 0.000 0.191 87 E C 2.194 178.767 176.600 -0.044 0.000 0.985 87 E CA 1.546 57.916 56.400 -0.050 0.000 0.801 87 E CB 0.023 29.695 29.700 -0.048 0.000 0.750 87 E HN 0.673 9.033 8.360 -0.000 0.000 0.452 88 E N 0.593 120.769 120.200 -0.039 0.000 2.047 88 E HA -0.134 4.216 4.350 -0.001 0.000 0.191 88 E C 1.803 178.378 176.600 -0.042 0.000 0.987 88 E CA 1.536 57.914 56.400 -0.037 0.000 0.799 88 E CB -0.386 29.294 29.700 -0.033 0.000 0.752 88 E HN 0.298 8.658 8.360 -0.000 0.000 0.449 89 A N 0.936 123.727 122.820 -0.048 0.000 1.892 89 A HA -0.203 4.116 4.320 -0.001 0.000 0.218 89 A C 2.372 179.924 177.584 -0.055 0.000 1.188 89 A CA 1.811 53.815 52.037 -0.056 0.000 0.631 89 A CB -0.982 17.979 19.000 -0.066 0.000 0.822 89 A HN 0.371 8.521 8.150 -0.000 0.000 0.447 90 L N -0.542 120.651 121.223 -0.051 0.000 1.994 90 L HA -0.203 4.136 4.340 -0.001 0.000 0.208 90 L C 3.033 179.879 176.870 -0.041 0.000 1.071 90 L CA 1.751 56.564 54.840 -0.045 0.000 0.745 90 L CB -0.630 41.403 42.059 -0.043 0.000 0.892 90 L HN 0.595 8.825 8.230 -0.000 0.000 0.431 91 S N -0.716 114.961 115.700 -0.038 0.000 2.365 91 S HA -0.265 4.205 4.470 -0.001 0.000 0.225 91 S C 2.043 176.623 174.600 -0.034 0.000 1.039 91 S CA 1.479 59.660 58.200 -0.032 0.000 1.033 91 S CB -0.187 62.995 63.200 -0.030 0.000 0.887 91 S HN 0.380 8.690 8.310 -0.000 0.000 0.447 92 Q N 0.407 120.184 119.800 -0.039 0.000 2.084 92 Q HA -0.052 4.288 4.340 -0.001 0.000 0.202 92 Q C 2.487 178.456 176.000 -0.051 0.000 0.978 92 Q CA 1.977 57.755 55.803 -0.042 0.000 0.844 92 Q CB -1.405 27.306 28.738 -0.044 0.000 0.898 92 Q HN 0.665 8.935 8.270 -0.000 0.000 0.426 93 T N 0.966 115.485 114.554 -0.058 0.000 2.821 93 T HA -0.065 4.284 4.350 -0.001 0.000 0.267 93 T C 2.118 176.771 174.700 -0.079 0.000 1.046 93 T CA 1.152 63.208 62.100 -0.073 0.000 1.139 93 T CB -0.156 68.667 68.868 -0.075 0.000 0.871 93 T HN 0.027 8.267 8.240 -0.000 0.000 0.454 94 V N 2.399 122.280 119.914 -0.057 0.000 2.261 94 V HA -0.183 3.936 4.120 -0.001 0.000 0.246 94 V C 2.822 178.890 176.094 -0.042 0.000 1.047 94 V CA 2.070 64.344 62.300 -0.045 0.000 1.015 94 V CB -1.048 30.764 31.823 -0.019 0.000 0.642 94 V HN 0.619 8.809 8.190 -0.000 0.000 0.446 95 S N 1.084 116.763 115.700 -0.035 0.000 2.382 95 S HA -0.112 4.357 4.470 -0.001 0.000 0.228 95 S C 2.125 176.703 174.600 -0.038 0.000 1.027 95 S CA 1.330 59.514 58.200 -0.026 0.000 0.991 95 S CB -1.099 62.088 63.200 -0.022 0.000 0.823 95 S HN 0.567 8.877 8.310 -0.000 0.000 0.469 96 G N 1.929 110.696 108.800 -0.056 0.000 2.422 96 G HA2 -0.054 3.905 3.960 -0.001 0.000 0.218 96 G HA3 -0.054 3.905 3.960 -0.001 0.000 0.218 96 G C 1.425 176.267 174.900 -0.097 0.000 1.146 96 G CA 0.895 45.954 45.100 -0.068 0.000 0.769 96 G HN 0.503 8.793 8.290 -0.000 0.000 0.547 97 L N 0.512 121.647 121.223 -0.146 0.000 2.072 97 L HA 0.084 4.424 4.340 -0.001 0.000 0.205 97 L C 3.149 179.953 176.870 -0.110 0.000 1.079 97 L CA 0.941 55.621 54.840 -0.268 0.000 0.752 97 L CB -0.570 41.206 42.059 -0.473 0.000 0.906 97 L HN 0.309 8.539 8.230 -0.000 0.000 0.436 98 G N -0.545 108.245 108.800 -0.017 0.000 2.422 98 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.218 98 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.218 98 G C 1.748 176.673 174.900 0.041 0.000 1.140 98 G CA 0.443 45.579 45.100 0.061 0.000 0.775 98 G HN 0.219 8.509 8.290 -0.000 0.000 0.545 99 R N -0.292 120.211 120.500 0.006 0.000 2.051 99 R HA 0.192 4.532 4.340 -0.001 0.000 0.225 99 R C 2.553 178.857 176.300 0.007 0.000 1.155 99 R CA 0.665 56.767 56.100 0.004 0.000 0.945 99 R CB -0.371 29.923 30.300 -0.011 0.000 0.840 99 R HN 0.325 8.595 8.270 -0.000 0.000 0.432 100 L N 0.398 121.614 121.223 -0.011 0.000 2.093 100 L HA -0.119 4.221 4.340 -0.001 0.000 0.208 100 L C 1.651 178.536 176.870 0.025 0.000 1.085 100 L CA 1.114 55.950 54.840 -0.007 0.000 0.755 100 L CB -0.025 42.014 42.059 -0.033 0.000 0.904 100 L HN 0.281 8.511 8.230 -0.000 0.000 0.435 101 L N -1.693 119.563 121.223 0.055 0.000 2.966 101 L HA 0.201 4.540 4.340 -0.001 0.000 0.262 101 L C 0.326 177.344 176.870 0.247 0.000 1.165 101 L CA -0.187 54.752 54.840 0.166 0.000 0.978 101 L CB 0.215 42.409 42.059 0.225 0.000 1.337 101 L HN 0.167 8.397 8.230 -0.000 0.000 0.563 102 N N 0.428 119.230 118.700 0.170 0.000 2.725 102 N HA -0.282 4.458 4.740 -0.001 0.000 0.251 102 N C -0.393 175.229 175.510 0.187 0.000 1.031 102 N CA 0.525 53.657 53.050 0.137 0.000 0.720 102 N CB -1.446 37.086 38.487 0.074 0.000 0.930 102 N HN 0.359 8.739 8.380 -0.000 0.000 0.543 103 Y N -0.118 120.182 120.300 0.000 0.000 2.357 103 Y HA 0.112 4.662 4.550 -0.001 0.000 0.340 103 Y C 1.555 177.457 175.900 0.003 0.000 1.260 103 Y CA -0.100 58.001 58.100 0.002 0.000 1.425 103 Y CB 0.695 39.156 38.460 0.001 0.000 1.326 103 Y HN 0.026 8.306 8.280 -0.000 0.000 0.580 104 T N 4.739 119.340 114.554 0.078 0.000 2.814 104 T HA 0.289 4.639 4.350 -0.001 0.000 0.297 104 T C -0.374 174.389 174.700 0.106 0.000 0.956 104 T CA -0.367 61.769 62.100 0.060 0.000 1.123 104 T CB -0.091 68.783 68.868 0.010 0.000 0.902 104 T HN 0.242 8.482 8.240 -0.000 0.000 0.528 105 L N 3.112 124.384 121.223 0.081 0.000 2.347 105 L HA 0.779 5.118 4.340 -0.001 0.000 0.268 105 L C 0.571 177.472 176.870 0.052 0.000 1.019 105 L CA -0.706 54.179 54.840 0.074 0.000 0.806 105 L CB 1.011 43.104 42.059 0.058 0.000 1.339 105 L HN 0.846 9.076 8.230 -0.000 0.000 0.463 106 C N -3.056 116.271 119.300 0.045 0.000 3.235 106 C HA 0.734 5.194 4.460 -0.001 0.000 0.351 106 C C -0.611 174.397 174.990 0.029 0.000 1.520 106 C CA -0.892 58.149 59.018 0.038 0.000 1.474 106 C CB 1.596 29.362 27.740 0.043 0.000 2.019 106 C HN 0.701 8.931 8.230 -0.000 0.000 0.446 107 E N 0.961 121.179 120.200 0.029 0.000 2.313 107 E HA 0.281 4.630 4.350 -0.001 0.000 0.272 107 E C -0.491 176.123 176.600 0.024 0.000 1.038 107 E CA -0.174 56.239 56.400 0.022 0.000 0.863 107 E CB 1.332 31.046 29.700 0.023 0.000 1.060 107 E HN 0.813 9.173 8.360 -0.000 0.000 0.402 108 M N 1.949 121.553 119.600 0.008 0.000 2.233 108 M HA 0.133 4.613 4.480 -0.001 0.000 0.350 108 M C -0.362 175.928 176.300 -0.016 0.000 1.176 108 M CA 0.192 55.489 55.300 -0.006 0.000 1.150 108 M CB 0.522 33.107 32.600 -0.025 0.000 1.530 108 M HN 0.543 8.833 8.290 -0.000 0.000 0.459 109 T N 2.091 116.619 114.554 -0.043 0.000 2.901 109 T HA 0.770 5.119 4.350 -0.001 0.000 0.293 109 T C -1.363 173.091 174.700 -0.410 0.000 1.084 109 T CA -1.152 60.898 62.100 -0.083 0.000 1.008 109 T CB 1.893 70.855 68.868 0.157 0.000 1.170 109 T HN 0.721 8.961 8.240 -0.000 0.000 0.509 110 K N 0.358 120.519 120.400 -0.399 0.000 2.527 110 K HA 0.670 4.989 4.320 -0.001 0.000 0.260 110 K C -1.573 174.905 176.600 -0.203 0.000 0.937 110 K CA -0.870 55.148 56.287 -0.448 0.000 0.826 110 K CB 2.179 34.556 32.500 -0.205 0.000 1.359 110 K HN 0.542 8.792 8.250 -0.000 0.000 0.434 111 S N 1.905 117.543 115.700 -0.103 0.000 2.519 111 S HA 0.631 5.101 4.470 -0.001 0.000 0.309 111 S C -0.589 174.043 174.600 0.054 0.000 1.100 111 S CA -0.809 57.440 58.200 0.082 0.000 1.059 111 S CB 0.673 64.013 63.200 0.233 0.000 1.008 111 S HN 0.453 8.763 8.310 -0.000 0.000 0.478 112 L N 2.304 123.572 121.223 0.074 0.000 2.371 112 L HA 0.771 5.111 4.340 -0.001 0.000 0.262 112 L C -0.180 176.772 176.870 0.136 0.000 1.006 112 L CA -0.873 54.040 54.840 0.120 0.000 0.818 112 L CB 1.414 43.529 42.059 0.092 0.000 1.354 112 L HN 0.553 8.783 8.230 -0.000 0.000 0.415 113 E N 0.000 120.324 120.200 0.206 0.000 2.725 113 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 113 E CA 0.000 56.443 56.400 0.071 0.000 0.976 113 E CB 0.000 29.723 29.700 0.039 0.000 0.812 113 E HN 0.000 8.360 8.360 -0.000 0.000 0.440