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 3ik8_1_A DATA FIRST_RESID 51 DATA SEQUENCE EPARVRCSHL LVKHSQSRRP SSWRQEQITR TQEEALELIN GYIQKIKSGE DATA SEQUENCE EDFESLASQF SDCSSAKARG DLGAFSRGQM QKPFEDASFA LRTGEMSGPV DATA SEQUENCE FTDSGIHIIL RTE 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 51 E HA 0.000 nan 4.350 nan 0.000 0.291 51 E C 0.000 176.650 176.600 0.083 0.000 1.382 51 E CA 0.000 56.445 56.400 0.075 0.000 0.976 51 E CB 0.000 29.737 29.700 0.062 0.000 0.812 52 P HA 0.105 nan 4.420 nan 0.000 0.271 52 P C -0.791 176.590 177.300 0.134 0.000 1.244 52 P CA -0.342 62.808 63.100 0.083 0.000 0.793 52 P CB 0.636 32.357 31.700 0.036 0.000 0.984 53 A N -1.704 121.168 122.820 0.086 0.000 1.968 53 A HA -0.125 nan 4.320 nan 0.000 0.217 53 A C -0.367 177.318 177.584 0.169 0.000 1.169 53 A CA 1.773 53.864 52.037 0.091 0.000 0.638 53 A CB 0.329 19.357 19.000 0.046 0.000 0.812 53 A HN 0.385 8.566 8.150 0.051 0.000 0.446 54 R N -6.062 114.512 120.500 0.123 0.000 2.739 54 R HA 0.500 nan 4.340 nan 0.000 0.271 54 R C -1.607 174.540 176.300 -0.255 0.000 1.010 54 R CA -1.212 54.904 56.100 0.027 0.000 0.897 54 R CB 3.839 34.116 30.300 -0.037 0.000 1.236 54 R HN -0.744 7.537 8.270 0.066 0.029 0.466 55 V N -4.129 115.379 119.914 -0.677 0.000 2.735 55 V HA 0.557 nan 4.120 nan 0.000 0.310 55 V C -1.970 173.694 176.094 -0.716 0.000 1.061 55 V CA -2.666 59.174 62.300 -0.766 0.000 0.913 55 V CB 3.382 34.538 31.823 -1.112 0.000 1.005 55 V HN 0.528 8.224 8.190 -0.825 0.000 0.428 56 R N 2.944 123.215 120.500 -0.382 0.000 2.368 56 R HA 0.774 nan 4.340 nan 0.000 0.302 56 R C -1.291 174.941 176.300 -0.113 0.000 1.002 56 R CA -0.955 55.026 56.100 -0.199 0.000 0.929 56 R CB 2.582 32.830 30.300 -0.086 0.000 1.073 56 R HN 0.039 8.019 8.270 -0.301 0.109 0.464 57 C N 4.645 123.995 119.300 0.083 0.000 3.173 57 C HA 0.767 nan 4.460 nan 0.000 0.310 57 C C -1.681 173.451 174.990 0.237 0.000 1.306 57 C CA -1.095 58.018 59.018 0.159 0.000 1.426 57 C CB 4.115 32.018 27.740 0.273 0.000 1.800 57 C HN 0.095 8.434 8.230 0.182 0.000 0.470 58 S N 1.001 116.847 115.700 0.244 0.000 2.568 58 S HA 0.889 nan 4.470 nan 0.000 0.302 58 S C -2.135 172.825 174.600 0.600 0.000 1.082 58 S CA -0.712 57.718 58.200 0.385 0.000 1.009 58 S CB 2.007 65.457 63.200 0.417 0.000 1.069 58 S HN 0.628 9.033 8.310 0.160 0.000 0.500 59 H N -0.311 119.029 119.070 0.450 0.000 2.990 59 H HA 0.809 nan 4.556 nan 0.000 0.336 59 H C -2.643 172.815 175.328 0.216 0.000 1.306 59 H CA -1.754 54.596 56.048 0.505 0.000 1.118 59 H CB 3.561 33.637 29.762 0.523 0.000 1.856 59 H HN 0.768 9.336 8.280 0.680 0.121 0.538 60 L N 0.316 121.519 121.223 -0.033 0.000 2.372 60 L HA 0.406 nan 4.340 nan 0.000 0.274 60 L C -2.672 174.093 176.870 -0.175 0.000 0.988 60 L CA -1.679 52.994 54.840 -0.277 0.000 0.833 60 L CB 3.131 44.977 42.059 -0.355 0.000 1.236 60 L HN 0.464 8.883 8.230 0.314 0.000 0.410 61 L N 7.953 129.003 121.223 -0.290 0.000 2.287 61 L HA 0.702 nan 4.340 nan 0.000 0.287 61 L C -2.333 174.463 176.870 -0.123 0.000 1.022 61 L CA -1.092 53.633 54.840 -0.192 0.000 0.814 61 L CB 1.968 43.925 42.059 -0.169 0.000 1.217 61 L HN 0.152 8.199 8.230 -0.305 0.000 0.420 62 V N 8.935 128.779 119.914 -0.117 0.000 2.311 62 V HA 0.273 nan 4.120 nan 0.000 0.275 62 V C -0.963 175.055 176.094 -0.127 0.000 1.022 62 V CA -1.466 60.799 62.300 -0.058 0.000 0.830 62 V CB -0.026 31.806 31.823 0.015 0.000 1.012 62 V HN 1.016 9.109 8.190 -0.162 0.000 0.452 63 K N 7.861 128.175 120.400 -0.144 0.000 2.132 63 K HA 0.340 nan 4.320 nan 0.000 0.240 63 K C -0.901 175.605 176.600 -0.156 0.000 1.036 63 K CA 0.134 56.279 56.287 -0.236 0.000 0.888 63 K CB 1.009 33.396 32.500 -0.187 0.000 1.071 63 K HN 0.019 8.490 8.250 -0.108 -0.286 0.502 64 H N -4.552 114.499 119.070 -0.032 0.000 2.990 64 H HA 0.493 nan 4.556 nan 0.000 0.343 64 H C 0.967 176.289 175.328 -0.008 0.000 1.270 64 H CA -1.947 54.091 56.048 -0.017 0.000 1.118 64 H CB 2.384 32.147 29.762 0.002 0.000 1.861 64 H HN 0.230 8.157 8.280 -0.588 0.000 0.544 65 S N -0.743 115.070 115.700 0.189 0.000 2.440 65 S HA -0.346 nan 4.470 nan 0.000 0.240 65 S C 1.397 176.088 174.600 0.151 0.000 1.014 65 S CA 3.138 61.406 58.200 0.114 0.000 0.980 65 S CB -0.075 63.169 63.200 0.072 0.000 0.775 65 S HN 0.570 8.988 8.310 0.180 0.000 0.499 66 Q N -1.116 118.883 119.800 0.332 0.000 2.280 66 Q HA 0.049 nan 4.340 nan 0.000 0.202 66 Q C -0.313 175.826 176.000 0.231 0.000 0.903 66 Q CA -0.446 55.518 55.803 0.269 0.000 0.948 66 Q CB 0.293 29.160 28.738 0.216 0.000 1.058 66 Q HN -0.016 8.490 8.270 0.390 -0.003 0.493 67 S N -0.625 115.095 115.700 0.033 0.000 2.584 67 S HA -0.072 nan 4.470 nan 0.000 0.270 67 S C -0.341 174.237 174.600 -0.037 0.000 1.346 67 S CA 0.866 58.970 58.200 -0.159 0.000 1.018 67 S CB 1.035 64.049 63.200 -0.310 0.000 0.899 67 S HN -0.254 7.995 8.310 0.040 0.085 0.542 68 R N 5.796 126.280 120.500 -0.027 0.000 2.117 68 R HA -0.338 nan 4.340 nan 0.000 0.243 68 R C -1.116 175.179 176.300 -0.008 0.000 1.143 68 R CA 2.284 58.384 56.100 0.000 0.000 0.968 68 R CB 0.519 30.823 30.300 0.007 0.000 0.863 68 R HN 0.402 8.648 8.270 -0.040 0.000 0.444 69 R N -2.129 118.355 120.500 -0.026 0.000 2.576 69 R HA 0.423 nan 4.340 nan 0.000 0.283 69 R C -2.523 173.755 176.300 -0.038 0.000 1.493 69 R CA -3.006 53.081 56.100 -0.021 0.000 1.170 69 R CB 0.116 30.409 30.300 -0.013 0.000 1.189 69 R HN -0.027 8.186 8.270 -0.046 0.029 0.542 70 P HA 0.149 nan 4.420 nan 0.000 0.225 70 P C -2.111 175.166 177.300 -0.038 0.000 1.768 70 P CA -0.530 62.547 63.100 -0.038 0.000 0.943 70 P CB -2.138 29.554 31.700 -0.014 0.000 1.936 71 S N -2.169 113.504 115.700 -0.045 0.000 2.547 71 S HA 0.681 nan 4.470 nan 0.000 0.270 71 S C -2.005 172.562 174.600 -0.056 0.000 1.150 71 S CA -0.776 57.395 58.200 -0.049 0.000 0.850 71 S CB 2.315 65.499 63.200 -0.027 0.000 1.118 71 S HN -0.068 8.115 8.310 -0.045 0.100 0.461 72 S N 0.925 116.571 115.700 -0.091 0.000 2.685 72 S HA 0.550 nan 4.470 nan 0.000 0.282 72 S C 0.044 174.576 174.600 -0.113 0.000 1.159 72 S CA -1.479 56.658 58.200 -0.105 0.000 0.833 72 S CB 2.821 65.880 63.200 -0.234 0.000 1.151 72 S HN 0.490 8.739 8.310 -0.102 0.000 0.485 73 W N -0.196 121.091 121.300 -0.021 0.000 2.342 73 W HA -0.160 nan 4.660 nan 0.000 0.297 73 W C -0.416 176.090 176.519 -0.022 0.000 1.213 73 W CA 1.855 59.186 57.345 -0.022 0.000 1.251 73 W CB -0.628 28.815 29.460 -0.028 0.000 1.136 73 W HN 0.549 8.856 8.180 0.212 0.000 0.526 74 R N -1.267 118.519 120.500 -1.190 0.000 2.210 74 R HA -0.037 nan 4.340 nan 0.000 0.203 74 R C 0.468 176.468 176.300 -0.500 0.000 1.010 74 R CA 0.243 55.665 56.100 -1.129 0.000 1.008 74 R CB 0.471 29.662 30.300 -1.848 0.000 0.923 74 R HN -0.713 6.478 8.270 -1.768 0.019 0.469 75 Q N 0.765 120.345 119.800 -0.367 0.000 2.269 75 Q HA 0.243 nan 4.340 nan 0.000 0.263 75 Q C -0.357 175.567 176.000 -0.128 0.000 0.983 75 Q CA -0.774 54.910 55.803 -0.199 0.000 0.777 75 Q CB 2.432 31.059 28.738 -0.184 0.000 1.273 75 Q HN -0.531 7.484 8.270 -0.425 0.000 0.440 76 E N 6.916 127.067 120.200 -0.082 0.000 2.086 76 E HA -0.442 nan 4.350 nan 0.000 0.200 76 E C -0.007 176.567 176.600 -0.043 0.000 1.012 76 E CA 2.620 58.990 56.400 -0.049 0.000 0.812 76 E CB -0.100 29.581 29.700 -0.031 0.000 0.743 76 E HN 0.566 8.878 8.360 -0.080 0.000 0.453 77 Q N -1.239 118.535 119.800 -0.044 0.000 2.309 77 Q HA 0.158 nan 4.340 nan 0.000 0.270 77 Q C -1.353 174.624 176.000 -0.039 0.000 1.023 77 Q CA -1.339 54.444 55.803 -0.034 0.000 0.758 77 Q CB 1.083 29.808 28.738 -0.022 0.000 1.247 77 Q HN -0.450 7.792 8.270 -0.047 0.000 0.455 78 I N 7.381 127.927 120.570 -0.041 0.000 2.517 78 I HA -0.106 nan 4.170 nan 0.000 0.285 78 I C 0.209 176.318 176.117 -0.014 0.000 1.106 78 I CA -0.039 61.238 61.300 -0.038 0.000 1.402 78 I CB -0.708 37.264 38.000 -0.047 0.000 1.399 78 I HN 0.684 8.751 8.210 -0.042 0.118 0.535 79 T N 1.000 115.546 114.554 -0.012 0.000 3.001 79 T HA 0.168 nan 4.350 nan 0.000 0.251 79 T C 0.028 174.733 174.700 0.008 0.000 1.040 79 T CA -0.787 61.312 62.100 -0.002 0.000 0.985 79 T CB 0.801 69.663 68.868 -0.009 0.000 1.011 79 T HN 0.105 8.332 8.240 -0.022 0.000 0.509 80 R N 1.150 121.656 120.500 0.010 0.000 2.594 80 R HA 0.105 nan 4.340 nan 0.000 0.272 80 R C 0.407 176.735 176.300 0.046 0.000 1.074 80 R CA -0.389 55.721 56.100 0.016 0.000 1.105 80 R CB 0.369 30.673 30.300 0.007 0.000 1.008 80 R HN -0.552 7.718 8.270 0.001 0.000 0.472 81 T N -0.124 114.442 114.554 0.020 0.000 2.849 81 T HA 0.199 nan 4.350 nan 0.000 0.284 81 T C 1.200 175.893 174.700 -0.011 0.000 1.004 81 T CA -1.025 61.078 62.100 0.004 0.000 1.021 81 T CB 1.635 70.491 68.868 -0.021 0.000 1.013 81 T HN 0.185 8.762 8.240 0.004 -0.335 0.527 82 Q N 3.886 123.607 119.800 -0.131 0.000 2.112 82 Q HA -0.481 nan 4.340 nan 0.000 0.206 82 Q C 1.464 177.430 176.000 -0.057 0.000 0.987 82 Q CA 4.514 60.160 55.803 -0.262 0.000 0.858 82 Q CB -0.621 27.878 28.738 -0.397 0.000 0.905 82 Q HN 0.484 8.669 8.270 -0.142 0.000 0.420 83 E N 0.398 120.570 120.200 -0.046 0.000 2.038 83 E HA -0.377 nan 4.350 nan 0.000 0.195 83 E C 2.254 178.844 176.600 -0.016 0.000 1.000 83 E CA 3.064 59.454 56.400 -0.016 0.000 0.803 83 E CB -0.531 29.154 29.700 -0.026 0.000 0.750 83 E HN 0.035 8.355 8.360 -0.067 0.000 0.448 84 E N -0.401 119.785 120.200 -0.024 0.000 2.085 84 E HA -0.369 nan 4.350 nan 0.000 0.194 84 E C 2.387 178.961 176.600 -0.045 0.000 0.994 84 E CA 2.708 59.085 56.400 -0.038 0.000 0.801 84 E CB -0.304 29.375 29.700 -0.035 0.000 0.743 84 E HN -0.456 7.813 8.360 -0.023 0.077 0.453 85 A N -0.139 122.678 122.820 -0.005 0.000 1.883 85 A HA -0.241 nan 4.320 nan 0.000 0.217 85 A C 2.054 179.617 177.584 -0.036 0.000 1.186 85 A CA 3.166 55.204 52.037 0.003 0.000 0.624 85 A CB -0.552 18.514 19.000 0.110 0.000 0.822 85 A HN 0.193 8.352 8.150 0.015 0.000 0.444 86 L N -1.021 120.203 121.223 0.002 0.000 2.093 86 L HA -0.362 nan 4.340 nan 0.000 0.208 86 L C 2.004 178.848 176.870 -0.043 0.000 1.085 86 L CA 2.863 57.709 54.840 0.010 0.000 0.755 86 L CB -0.505 41.637 42.059 0.139 0.000 0.904 86 L HN -0.213 8.039 8.230 0.037 0.000 0.435 87 E N -0.498 119.666 120.200 -0.060 0.000 2.058 87 E HA -0.359 nan 4.350 nan 0.000 0.194 87 E C 2.460 178.938 176.600 -0.203 0.000 0.997 87 E CA 2.744 59.084 56.400 -0.100 0.000 0.801 87 E CB -0.734 28.912 29.700 -0.089 0.000 0.746 87 E HN -0.144 8.193 8.360 -0.039 0.000 0.450 88 L N -0.559 120.501 121.223 -0.272 0.000 2.046 88 L HA -0.390 nan 4.340 nan 0.000 0.208 88 L C 2.296 178.686 176.870 -0.800 0.000 1.077 88 L CA 3.215 57.711 54.840 -0.573 0.000 0.747 88 L CB -0.136 41.645 42.059 -0.463 0.000 0.896 88 L HN 0.029 8.142 8.230 -0.195 0.000 0.432 89 I N -0.490 119.871 120.570 -0.348 0.000 2.163 89 I HA -0.612 nan 4.170 nan 0.000 0.243 89 I C 2.131 178.199 176.117 -0.081 0.000 1.085 89 I CA 3.837 65.073 61.300 -0.107 0.000 1.347 89 I CB -1.229 36.745 38.000 -0.043 0.000 1.044 89 I HN 0.174 8.248 8.210 -0.226 0.000 0.408 90 N N -0.406 118.236 118.700 -0.097 0.000 2.188 90 N HA -0.236 nan 4.740 nan 0.000 0.184 90 N C 2.561 178.029 175.510 -0.069 0.000 1.018 90 N CA 3.503 56.527 53.050 -0.043 0.000 0.858 90 N CB -0.369 38.100 38.487 -0.030 0.000 0.989 90 N HN 0.135 8.446 8.380 -0.115 0.000 0.426 91 G N 0.423 109.111 108.800 -0.186 0.000 2.421 91 G HA2 -0.299 nan 3.960 nan 0.000 0.216 91 G HA3 -0.299 nan 3.960 nan 0.000 0.216 91 G C 1.498 176.358 174.900 -0.066 0.000 1.171 91 G CA 2.268 47.261 45.100 -0.178 0.000 0.775 91 G HN -0.044 8.005 8.290 -0.266 0.080 0.543 92 Y N 1.431 121.727 120.300 -0.007 0.000 2.128 92 Y HA -0.301 nan 4.550 nan 0.000 0.284 92 Y C 2.536 178.472 175.900 0.060 0.000 1.154 92 Y CA 1.503 59.616 58.100 0.021 0.000 1.149 92 Y CB -0.746 37.724 38.460 0.017 0.000 0.976 92 Y HN -0.102 7.826 8.280 -0.587 0.000 0.505 93 I N -0.865 119.834 120.570 0.217 0.000 2.163 93 I HA -0.632 nan 4.170 nan 0.000 0.243 93 I C 2.188 178.375 176.117 0.117 0.000 1.085 93 I CA 4.192 65.590 61.300 0.163 0.000 1.347 93 I CB -0.386 37.684 38.000 0.116 0.000 1.044 93 I HN 0.195 8.518 8.210 0.188 0.000 0.408 94 Q N -1.374 118.476 119.800 0.082 0.000 2.119 94 Q HA -0.288 nan 4.340 nan 0.000 0.201 94 Q C 2.822 178.864 176.000 0.070 0.000 0.972 94 Q CA 2.655 58.493 55.803 0.060 0.000 0.847 94 Q CB -0.809 27.948 28.738 0.032 0.000 0.903 94 Q HN -0.065 8.245 8.270 0.068 0.000 0.433 95 K N 0.330 120.786 120.400 0.093 0.000 2.155 95 K HA -0.201 nan 4.320 nan 0.000 0.203 95 K C 2.990 179.652 176.600 0.104 0.000 1.052 95 K CA 3.091 59.436 56.287 0.096 0.000 0.948 95 K CB -0.026 32.547 32.500 0.120 0.000 0.728 95 K HN -0.383 7.930 8.250 0.106 0.000 0.448 96 I N 0.706 121.355 120.570 0.131 0.000 2.286 96 I HA -0.417 nan 4.170 nan 0.000 0.245 96 I C 1.769 177.942 176.117 0.094 0.000 1.104 96 I CA 3.371 64.751 61.300 0.134 0.000 1.397 96 I CB -0.092 38.024 38.000 0.194 0.000 1.072 96 I HN 0.108 8.413 8.210 0.158 0.000 0.417 97 K N -1.029 119.420 120.400 0.082 0.000 2.097 97 K HA -0.241 nan 4.320 nan 0.000 0.206 97 K C 1.776 178.403 176.600 0.045 0.000 1.049 97 K CA 2.750 59.070 56.287 0.055 0.000 0.933 97 K CB 0.212 32.742 32.500 0.049 0.000 0.717 97 K HN 0.061 8.367 8.250 0.094 0.000 0.442 98 S N -3.248 112.481 115.700 0.048 0.000 2.436 98 S HA -0.088 nan 4.470 nan 0.000 0.228 98 S C 1.477 176.101 174.600 0.039 0.000 1.014 98 S CA 0.979 59.203 58.200 0.039 0.000 0.950 98 S CB 1.268 64.490 63.200 0.038 0.000 0.784 98 S HN -0.411 7.932 8.310 0.056 0.000 0.504 99 G N 1.191 110.020 108.800 0.049 0.000 2.218 99 G HA2 -0.367 nan 3.960 nan 0.000 0.216 99 G HA3 -0.367 nan 3.960 nan 0.000 0.216 99 G C 0.329 175.259 174.900 0.051 0.000 0.994 99 G CA -0.099 45.029 45.100 0.047 0.000 0.637 99 G HN -0.414 7.911 8.290 0.058 0.000 0.505 100 E N 1.233 121.465 120.200 0.053 0.000 2.171 100 E HA -0.261 nan 4.350 nan 0.000 0.197 100 E C -0.132 176.507 176.600 0.065 0.000 0.997 100 E CA 2.023 58.456 56.400 0.055 0.000 0.810 100 E CB 0.533 30.266 29.700 0.056 0.000 0.738 100 E HN -0.333 7.988 8.360 0.052 0.070 0.467 101 E N -3.335 116.912 120.200 0.079 0.000 2.343 101 E HA 0.148 nan 4.350 nan 0.000 0.270 101 E C -1.767 174.886 176.600 0.089 0.000 0.895 101 E CA -1.755 54.695 56.400 0.083 0.000 0.767 101 E CB 1.983 31.743 29.700 0.100 0.000 1.248 101 E HN -0.586 7.716 8.360 0.082 0.107 0.440 102 D N 1.406 121.851 120.400 0.076 0.000 2.274 102 D HA 0.110 nan 4.640 nan 0.000 0.239 102 D C 0.427 176.798 176.300 0.118 0.000 1.104 102 D CA -1.600 52.457 54.000 0.095 0.000 0.840 102 D CB 1.038 41.876 40.800 0.064 0.000 1.100 102 D HN 0.184 8.590 8.370 0.060 0.000 0.477 103 F N 7.008 126.967 119.950 0.016 0.000 2.063 103 F HA -0.506 nan 4.527 nan 0.000 0.298 103 F C 1.042 176.840 175.800 -0.002 0.000 1.109 103 F CA 4.004 62.010 58.000 0.010 0.000 1.212 103 F CB 0.502 39.517 39.000 0.026 0.000 0.973 103 F HN 0.662 9.140 8.300 0.296 0.000 0.480 104 E N -1.983 118.352 120.200 0.225 0.000 2.153 104 E HA -0.391 nan 4.350 nan 0.000 0.194 104 E C 2.827 179.390 176.600 -0.060 0.000 0.988 104 E CA 3.036 59.477 56.400 0.067 0.000 0.811 104 E CB -0.494 29.292 29.700 0.144 0.000 0.746 104 E HN -0.086 8.568 8.360 0.389 -0.060 0.466 105 S N 1.009 116.685 115.700 -0.039 0.000 2.345 105 S HA -0.263 nan 4.470 nan 0.000 0.220 105 S C 2.099 176.622 174.600 -0.129 0.000 1.031 105 S CA 3.957 62.117 58.200 -0.067 0.000 0.996 105 S CB 0.051 63.236 63.200 -0.025 0.000 0.882 105 S HN -0.670 7.888 8.310 0.013 -0.240 0.445 106 L N 0.755 121.892 121.223 -0.142 0.000 2.042 106 L HA -0.396 nan 4.340 nan 0.000 0.210 106 L C 1.698 178.397 176.870 -0.285 0.000 1.076 106 L CA 3.072 57.796 54.840 -0.194 0.000 0.749 106 L CB -0.421 41.458 42.059 -0.301 0.000 0.893 106 L HN 0.218 8.391 8.230 -0.095 0.000 0.432 107 A N -1.818 120.777 122.820 -0.376 0.000 1.883 107 A HA -0.394 nan 4.320 nan 0.000 0.217 107 A C 2.350 179.823 177.584 -0.184 0.000 1.186 107 A CA 3.529 55.355 52.037 -0.352 0.000 0.624 107 A CB -0.862 17.883 19.000 -0.426 0.000 0.822 107 A HN 0.416 8.291 8.150 -0.458 0.000 0.444 108 S N -1.897 113.701 115.700 -0.170 0.000 2.423 108 S HA -0.296 nan 4.470 nan 0.000 0.231 108 S C 1.956 176.485 174.600 -0.117 0.000 1.014 108 S CA 3.122 61.233 58.200 -0.147 0.000 0.965 108 S CB -0.339 62.771 63.200 -0.150 0.000 0.785 108 S HN -0.372 7.831 8.310 -0.178 0.000 0.495 109 Q N -0.330 119.319 119.800 -0.252 0.000 2.123 109 Q HA -0.053 nan 4.340 nan 0.000 0.196 109 Q C 1.893 177.418 176.000 -0.792 0.000 0.958 109 Q CA 2.836 58.301 55.803 -0.563 0.000 0.841 109 Q CB 1.058 29.254 28.738 -0.904 0.000 0.915 109 Q HN -0.600 7.393 8.270 -0.263 0.120 0.455 110 F N -5.389 114.544 119.950 -0.029 0.000 2.767 110 F HA 0.214 nan 4.527 nan 0.000 0.323 110 F C -0.619 175.140 175.800 -0.069 0.000 1.091 110 F CA -1.045 56.908 58.000 -0.078 0.000 1.192 110 F CB 1.731 40.634 39.000 -0.163 0.000 1.056 110 F HN -0.145 7.996 8.300 -0.266 0.000 0.571 111 S N 1.696 117.450 115.700 0.091 0.000 2.516 111 S HA -0.205 nan 4.470 nan 0.000 0.282 111 S C 0.830 175.521 174.600 0.151 0.000 1.286 111 S CA 1.134 59.363 58.200 0.048 0.000 1.066 111 S CB 0.676 63.846 63.200 -0.050 0.000 0.884 111 S HN -0.606 7.726 8.310 0.036 0.000 0.491 112 D N 7.397 127.813 120.400 0.027 0.000 2.363 112 D HA -0.033 nan 4.640 nan 0.000 0.226 112 D C -0.846 175.531 176.300 0.128 0.000 1.020 112 D CA 1.314 55.306 54.000 -0.014 0.000 0.892 112 D CB -0.269 40.479 40.800 -0.088 0.000 0.900 112 D HN 0.361 8.642 8.370 -0.017 0.079 0.531 113 C N 0.108 119.513 119.300 0.174 0.000 2.401 113 C HA 0.343 nan 4.460 nan 0.000 0.365 113 C C 1.016 176.167 174.990 0.269 0.000 1.250 113 C CA -1.890 57.247 59.018 0.199 0.000 2.131 113 C CB 1.451 29.303 27.740 0.188 0.000 2.445 113 C HN -0.737 7.475 8.230 0.170 0.120 0.550 114 S N 6.370 122.186 115.700 0.192 0.000 2.500 114 S HA -0.318 nan 4.470 nan 0.000 0.239 114 S C 1.084 175.623 174.600 -0.102 0.000 0.989 114 S CA 2.921 61.127 58.200 0.011 0.000 0.951 114 S CB -0.482 62.723 63.200 0.008 0.000 0.759 114 S HN 0.642 9.053 8.310 0.168 0.000 0.523 115 S N 2.261 117.971 115.700 0.016 0.000 2.500 115 S HA -0.243 nan 4.470 nan 0.000 0.239 115 S C 1.500 176.066 174.600 -0.057 0.000 0.989 115 S CA 2.038 60.248 58.200 0.017 0.000 0.951 115 S CB -0.707 62.591 63.200 0.164 0.000 0.759 115 S HN -0.636 7.682 8.310 0.102 0.053 0.523 116 A N 2.388 125.133 122.820 -0.124 0.000 1.917 116 A HA -0.316 nan 4.320 nan 0.000 0.219 116 A C 1.664 179.064 177.584 -0.307 0.000 1.182 116 A CA 2.906 54.831 52.037 -0.188 0.000 0.633 116 A CB -0.642 18.254 19.000 -0.174 0.000 0.819 116 A HN -0.086 7.950 8.150 -0.079 0.066 0.448 117 K N -1.845 118.295 120.400 -0.432 0.000 2.152 117 K HA -0.247 nan 4.320 nan 0.000 0.206 117 K C 0.689 177.172 176.600 -0.195 0.000 1.048 117 K CA 2.350 58.424 56.287 -0.356 0.000 0.933 117 K CB -0.218 32.070 32.500 -0.354 0.000 0.721 117 K HN -0.457 7.463 8.250 -0.550 0.000 0.447 118 A N -1.294 121.445 122.820 -0.134 0.000 2.640 118 A HA 0.196 nan 4.320 nan 0.000 0.282 118 A C -1.120 176.445 177.584 -0.033 0.000 1.357 118 A CA -1.218 50.779 52.037 -0.066 0.000 0.946 118 A CB -0.056 18.923 19.000 -0.034 0.000 1.065 118 A HN -0.418 7.508 8.150 -0.141 0.140 0.541 119 R N -4.268 116.196 120.500 -0.060 0.000 3.641 119 R HA -0.500 nan 4.340 nan 0.000 0.286 119 R C -0.244 176.063 176.300 0.011 0.000 1.153 119 R CA 0.891 56.969 56.100 -0.038 0.000 0.775 119 R CB -2.712 27.586 30.300 -0.004 0.000 1.215 119 R HN 0.051 8.153 8.270 -0.106 0.105 0.474 120 G N -5.384 103.427 108.800 0.018 0.000 2.195 120 G HA2 -0.499 nan 3.960 nan 0.000 0.246 120 G HA3 -0.499 nan 3.960 nan 0.000 0.246 120 G C -1.095 173.952 174.900 0.245 0.000 0.984 120 G CA -0.255 44.918 45.100 0.122 0.000 0.633 120 G HN 0.108 8.294 8.290 -0.028 0.087 0.525 121 D N 1.042 121.537 120.400 0.157 0.000 2.417 121 D HA 0.080 nan 4.640 nan 0.000 0.250 121 D C 0.292 176.665 176.300 0.121 0.000 1.166 121 D CA 1.242 55.331 54.000 0.148 0.000 0.881 121 D CB 0.318 41.173 40.800 0.091 0.000 1.164 121 D HN -0.617 7.643 8.370 0.101 0.171 0.467 122 L N 4.246 125.545 121.223 0.128 0.000 2.616 122 L HA 0.149 nan 4.340 nan 0.000 0.229 122 L C 0.447 177.382 176.870 0.107 0.000 1.110 122 L CA 0.023 54.899 54.840 0.059 0.000 0.884 122 L CB 0.629 42.656 42.059 -0.053 0.000 1.115 122 L HN 0.161 8.493 8.230 0.171 0.000 0.481 123 G N -1.089 107.787 108.800 0.125 0.000 2.632 123 G HA2 -0.357 nan 3.960 nan 0.000 0.224 123 G HA3 -0.357 nan 3.960 nan 0.000 0.224 123 G C -2.203 172.791 174.900 0.156 0.000 1.341 123 G CA -0.456 44.708 45.100 0.107 0.000 0.880 123 G HN -0.678 8.015 8.290 0.127 -0.327 0.566 124 A N 0.937 123.815 122.820 0.097 0.000 2.316 124 A HA 0.754 nan 4.320 nan 0.000 0.284 124 A C -0.950 176.729 177.584 0.159 0.000 1.115 124 A CA -0.720 51.331 52.037 0.024 0.000 0.812 124 A CB 1.262 20.244 19.000 -0.030 0.000 1.064 124 A HN 0.058 8.250 8.150 0.069 0.000 0.489 125 F N -2.653 117.309 119.950 0.019 0.000 2.608 125 F HA 0.464 nan 4.527 nan 0.000 0.309 125 F C -2.045 173.868 175.800 0.188 0.000 1.103 125 F CA -1.604 56.441 58.000 0.075 0.000 0.954 125 F CB 2.655 41.697 39.000 0.069 0.000 1.267 125 F HN 0.591 8.519 8.300 -0.620 0.000 0.444 126 S N 0.092 115.997 115.700 0.342 0.000 2.713 126 S HA 0.368 nan 4.470 nan 0.000 0.277 126 S C -0.028 174.793 174.600 0.368 0.000 1.168 126 S CA -1.320 57.078 58.200 0.329 0.000 0.994 126 S CB 2.091 65.387 63.200 0.161 0.000 1.054 126 S HN 0.048 8.549 8.310 0.319 0.000 0.555 127 R N 0.194 120.743 120.500 0.083 0.000 2.801 127 R HA -0.307 nan 4.340 nan 0.000 0.273 127 R C 1.135 177.476 176.300 0.069 0.000 1.080 127 R CA 1.514 57.609 56.100 -0.009 0.000 1.197 127 R CB 0.422 30.570 30.300 -0.252 0.000 1.109 127 R HN 0.420 8.657 8.270 -0.056 0.000 0.535 128 G N 0.057 108.893 108.800 0.059 0.000 2.143 128 G HA2 -0.358 nan 3.960 nan 0.000 0.248 128 G HA3 -0.358 nan 3.960 nan 0.000 0.248 128 G C -0.124 174.813 174.900 0.062 0.000 0.991 128 G CA 0.934 46.062 45.100 0.048 0.000 0.689 128 G HN 0.343 8.934 8.290 0.051 -0.271 0.522 129 Q N -1.709 118.147 119.800 0.093 0.000 2.620 129 Q HA 0.188 nan 4.340 nan 0.000 0.232 129 Q C 0.402 176.388 176.000 -0.024 0.000 0.836 129 Q CA 0.352 56.187 55.803 0.054 0.000 0.938 129 Q CB 1.421 30.227 28.738 0.114 0.000 1.242 129 Q HN -0.139 8.163 8.270 0.144 0.054 0.624 130 M N -0.301 119.270 119.600 -0.049 0.000 2.245 130 M HA 0.269 nan 4.480 nan 0.000 0.292 130 M C -0.192 176.081 176.300 -0.045 0.000 1.176 130 M CA -1.466 53.727 55.300 -0.179 0.000 1.035 130 M CB 0.375 32.759 32.600 -0.360 0.000 1.440 130 M HN -0.293 8.033 8.290 0.061 0.000 0.494 131 Q N 0.029 119.795 119.800 -0.057 0.000 2.337 131 Q HA -0.066 nan 4.340 nan 0.000 0.270 131 Q C 1.115 177.185 176.000 0.116 0.000 1.002 131 Q CA 0.012 55.840 55.803 0.041 0.000 0.888 131 Q CB 0.722 29.496 28.738 0.061 0.000 1.222 131 Q HN 0.132 8.300 8.270 -0.170 0.000 0.400 132 K N 6.822 127.286 120.400 0.106 0.000 2.077 132 K HA -0.377 nan 4.320 nan 0.000 0.213 132 K C -0.467 176.224 176.600 0.151 0.000 1.051 132 K CA 4.822 61.181 56.287 0.120 0.000 0.929 132 K CB -1.741 30.811 32.500 0.085 0.000 0.715 132 K HN 0.708 9.006 8.250 0.080 0.000 0.451 133 P HA -0.264 nan 4.420 nan 0.000 0.216 133 P C 1.444 178.851 177.300 0.178 0.000 1.153 133 P CA 3.120 66.325 63.100 0.175 0.000 0.858 133 P CB -0.310 31.517 31.700 0.211 0.000 0.789 134 F N -1.460 118.515 119.950 0.041 0.000 2.075 134 F HA -0.360 nan 4.527 nan 0.000 0.297 134 F C 1.224 177.066 175.800 0.071 0.000 1.113 134 F CA 3.348 61.325 58.000 -0.038 0.000 1.218 134 F CB 0.227 39.089 39.000 -0.231 0.000 0.984 134 F HN -0.681 7.807 8.300 0.313 0.000 0.472 135 E N -0.460 119.983 120.200 0.405 0.000 2.049 135 E HA -0.549 nan 4.350 nan 0.000 0.198 135 E C 2.151 178.987 176.600 0.394 0.000 1.007 135 E CA 3.724 60.411 56.400 0.479 0.000 0.809 135 E CB -0.234 29.682 29.700 0.360 0.000 0.749 135 E HN -0.168 8.419 8.360 0.379 0.000 0.450 136 D N -0.947 119.591 120.400 0.231 0.000 2.092 136 D HA -0.302 nan 4.640 nan 0.000 0.193 136 D C 2.357 178.742 176.300 0.142 0.000 0.994 136 D CA 3.120 57.224 54.000 0.173 0.000 0.828 136 D CB -0.514 40.351 40.800 0.109 0.000 0.963 136 D HN 0.040 8.529 8.370 0.198 0.000 0.450 137 A N -0.439 122.421 122.820 0.067 0.000 1.865 137 A HA -0.326 nan 4.320 nan 0.000 0.217 137 A C 2.212 179.773 177.584 -0.037 0.000 1.191 137 A CA 2.988 55.021 52.037 -0.008 0.000 0.623 137 A CB -0.620 18.330 19.000 -0.083 0.000 0.826 137 A HN -0.482 7.708 8.150 0.066 0.000 0.444 138 S N -0.134 115.523 115.700 -0.072 0.000 2.359 138 S HA -0.358 nan 4.470 nan 0.000 0.223 138 S C 2.653 177.175 174.600 -0.130 0.000 1.039 138 S CA 3.365 61.507 58.200 -0.097 0.000 1.042 138 S CB 0.017 63.262 63.200 0.073 0.000 0.915 138 S HN -0.203 8.041 8.310 -0.109 0.000 0.439 139 F N 0.279 120.226 119.950 -0.005 0.000 2.269 139 F HA -0.289 nan 4.527 nan 0.000 0.301 139 F C 0.237 176.018 175.800 -0.032 0.000 1.082 139 F CA 2.783 60.763 58.000 -0.032 0.000 1.360 139 F CB -0.024 38.973 39.000 -0.005 0.000 1.041 139 F HN -0.295 8.220 8.300 0.358 0.000 0.512 140 A N -2.598 120.292 122.820 0.117 0.000 2.014 140 A HA -0.145 nan 4.320 nan 0.000 0.218 140 A C 0.362 177.949 177.584 0.005 0.000 1.163 140 A CA 0.858 52.930 52.037 0.059 0.000 0.652 140 A CB 0.201 19.230 19.000 0.048 0.000 0.808 140 A HN -0.724 7.483 8.150 0.135 0.024 0.449 141 L N -1.897 119.306 121.223 -0.034 0.000 2.456 141 L HA -0.031 nan 4.340 nan 0.000 0.272 141 L C -0.242 176.586 176.870 -0.070 0.000 1.189 141 L CA -0.251 54.551 54.840 -0.063 0.000 0.846 141 L CB 0.293 42.291 42.059 -0.100 0.000 1.111 141 L HN -0.665 7.414 8.230 -0.041 0.127 0.475 142 R N 2.184 122.648 120.500 -0.061 0.000 2.560 142 R HA 0.119 nan 4.340 nan 0.000 0.270 142 R C -0.131 176.122 176.300 -0.078 0.000 1.074 142 R CA -0.144 55.920 56.100 -0.058 0.000 1.140 142 R CB 0.930 31.203 30.300 -0.044 0.000 1.073 142 R HN 0.086 8.634 8.270 -0.057 -0.313 0.527 143 T N 1.350 115.858 114.554 -0.076 0.000 2.902 143 T HA -0.213 nan 4.350 nan 0.000 0.301 143 T C 1.034 175.689 174.700 -0.075 0.000 1.012 143 T CA 2.439 64.489 62.100 -0.083 0.000 1.151 143 T CB -0.383 68.442 68.868 -0.072 0.000 0.946 143 T HN 0.340 8.540 8.240 -0.065 0.000 0.542 144 G N 7.955 116.702 108.800 -0.088 0.000 2.176 144 G HA2 -0.487 nan 3.960 nan 0.000 0.253 144 G HA3 -0.487 nan 3.960 nan 0.000 0.253 144 G C -1.277 173.562 174.900 -0.101 0.000 0.979 144 G CA -0.222 44.827 45.100 -0.086 0.000 0.641 144 G HN 0.761 8.878 8.290 -0.099 0.113 0.530 145 E N 0.936 121.073 120.200 -0.104 0.000 2.266 145 E HA 0.162 nan 4.350 nan 0.000 0.277 145 E C -1.621 174.895 176.600 -0.140 0.000 1.018 145 E CA -1.098 55.241 56.400 -0.100 0.000 0.840 145 E CB 1.755 31.411 29.700 -0.074 0.000 1.082 145 E HN -0.279 7.931 8.360 -0.097 0.092 0.395 146 M N 4.226 123.747 119.600 -0.133 0.000 2.404 146 M HA 0.349 nan 4.480 nan 0.000 0.338 146 M C -1.050 175.204 176.300 -0.076 0.000 1.150 146 M CA -1.408 53.796 55.300 -0.160 0.000 1.016 146 M CB 3.064 35.559 32.600 -0.176 0.000 1.672 146 M HN 0.115 8.347 8.290 -0.097 0.000 0.448 147 S N 4.982 120.647 115.700 -0.059 0.000 2.655 147 S HA 0.230 nan 4.470 nan 0.000 0.265 147 S C -0.080 174.540 174.600 0.033 0.000 1.240 147 S CA -0.363 57.827 58.200 -0.015 0.000 0.986 147 S CB 1.316 64.497 63.200 -0.032 0.000 0.985 147 S HN 0.358 8.619 8.310 -0.081 0.000 0.562 148 G N -1.259 107.570 108.800 0.049 0.000 2.574 148 G HA2 0.223 nan 3.960 nan 0.000 0.248 148 G HA3 0.223 nan 3.960 nan 0.000 0.248 148 G C -2.668 172.286 174.900 0.090 0.000 1.422 148 G CA -1.566 43.578 45.100 0.073 0.000 1.051 148 G HN 0.031 8.346 8.290 0.041 0.000 0.560 149 P HA -0.057 nan 4.420 nan 0.000 0.264 149 P C -1.508 175.866 177.300 0.124 0.000 1.193 149 P CA 0.387 63.535 63.100 0.080 0.000 0.763 149 P CB 0.269 32.045 31.700 0.128 0.000 0.810 150 V N 4.627 124.584 119.914 0.071 0.000 2.483 150 V HA 0.296 nan 4.120 nan 0.000 0.297 150 V C -1.139 175.075 176.094 0.201 0.000 1.027 150 V CA -0.400 62.015 62.300 0.192 0.000 0.855 150 V CB 2.841 34.753 31.823 0.149 0.000 0.995 150 V HN 0.459 8.658 8.190 0.015 0.000 0.424 151 F N 7.618 127.703 119.950 0.226 0.000 2.421 151 F HA 0.730 nan 4.527 nan 0.000 0.337 151 F C -0.326 175.631 175.800 0.262 0.000 1.105 151 F CA -0.975 57.164 58.000 0.232 0.000 1.049 151 F CB 2.207 41.300 39.000 0.154 0.000 1.139 151 F HN 0.184 8.813 8.300 0.548 0.000 0.479 152 T N -0.931 113.882 114.554 0.431 0.000 2.841 152 T HA 0.394 nan 4.350 nan 0.000 0.296 152 T C 0.696 175.547 174.700 0.252 0.000 1.166 152 T CA -1.300 61.008 62.100 0.348 0.000 1.007 152 T CB 3.456 72.575 68.868 0.418 0.000 1.253 152 T HN 0.245 8.694 8.240 0.349 0.000 0.511 153 D N 1.436 121.943 120.400 0.179 0.000 2.263 153 D HA -0.122 nan 4.640 nan 0.000 0.208 153 D C 1.660 177.996 176.300 0.060 0.000 0.971 153 D CA 3.278 57.353 54.000 0.125 0.000 0.867 153 D CB -0.379 40.475 40.800 0.090 0.000 0.929 153 D HN 0.323 9.074 8.370 0.166 -0.282 0.492 154 S N -1.644 114.095 115.700 0.065 0.000 2.428 154 S HA -0.156 nan 4.470 nan 0.000 0.230 154 S C 0.588 175.093 174.600 -0.158 0.000 1.014 154 S CA 2.415 60.609 58.200 -0.011 0.000 0.957 154 S CB 0.955 64.197 63.200 0.069 0.000 0.784 154 S HN -0.436 7.931 8.310 0.126 0.019 0.499 155 G N -1.125 107.563 108.800 -0.186 0.000 2.334 155 G HA2 -0.025 nan 3.960 nan 0.000 0.249 155 G HA3 -0.025 nan 3.960 nan 0.000 0.249 155 G C -3.097 171.596 174.900 -0.345 0.000 1.327 155 G CA -0.140 44.743 45.100 -0.362 0.000 0.979 155 G HN -0.537 7.574 8.290 -0.030 0.161 0.471 156 I N 1.479 121.801 120.570 -0.413 0.000 2.377 156 I HA 0.597 nan 4.170 nan 0.000 0.293 156 I C -0.981 174.861 176.117 -0.459 0.000 0.987 156 I CA -0.818 60.152 61.300 -0.551 0.000 1.185 156 I CB 1.548 39.209 38.000 -0.566 0.000 1.341 156 I HN 0.173 8.202 8.210 -0.302 0.000 0.455 157 H N 5.165 124.205 119.070 -0.050 0.000 2.731 157 H HA 0.849 nan 4.556 nan 0.000 0.368 157 H C -1.256 174.134 175.328 0.104 0.000 1.168 157 H CA -2.215 53.903 56.048 0.117 0.000 1.181 157 H CB 3.690 33.670 29.762 0.365 0.000 1.743 157 H HN 0.561 8.764 8.280 -0.128 0.000 0.547 158 I N 0.723 121.495 120.570 0.335 0.000 2.447 158 I HA 0.439 nan 4.170 nan 0.000 0.287 158 I C -1.588 174.797 176.117 0.447 0.000 1.023 158 I CA -0.830 60.669 61.300 0.330 0.000 1.083 158 I CB 1.976 40.213 38.000 0.396 0.000 1.245 158 I HN 0.507 8.924 8.210 0.345 0.000 0.434 159 I N 6.315 127.019 120.570 0.223 0.000 2.493 159 I HA 0.748 nan 4.170 nan 0.000 0.298 159 I C -2.035 174.019 176.117 -0.105 0.000 0.998 159 I CA -1.511 59.860 61.300 0.117 0.000 1.137 159 I CB 2.958 40.849 38.000 -0.182 0.000 1.310 159 I HN 0.411 8.696 8.210 0.125 0.000 0.445 160 L N 5.658 126.771 121.223 -0.184 0.000 2.372 160 L HA 0.618 nan 4.340 nan 0.000 0.273 160 L C -2.495 174.268 176.870 -0.178 0.000 0.989 160 L CA -1.440 53.164 54.840 -0.393 0.000 0.841 160 L CB 2.943 44.473 42.059 -0.881 0.000 1.225 160 L HN 0.864 9.118 8.230 0.041 0.000 0.414 161 R N 6.748 127.151 120.500 -0.160 0.000 2.389 161 R HA 0.269 nan 4.340 nan 0.000 0.295 161 R C 0.125 176.355 176.300 -0.118 0.000 1.075 161 R CA 0.613 56.633 56.100 -0.134 0.000 1.005 161 R CB 1.530 31.734 30.300 -0.159 0.000 0.987 161 R HN 0.286 8.451 8.270 -0.176 0.000 0.452 162 T N 4.125 118.623 114.554 -0.093 0.000 3.038 162 T HA 0.262 nan 4.350 nan 0.000 0.244 162 T C 0.083 174.738 174.700 -0.076 0.000 1.016 162 T CA 0.228 62.287 62.100 -0.070 0.000 1.098 162 T CB 0.870 69.719 68.868 -0.032 0.000 0.954 162 T HN 0.566 8.752 8.240 -0.090 0.000 0.469 163 E N 0.000 120.139 120.200 -0.101 0.000 2.725 163 E HA 0.000 nan 4.350 nan 0.000 0.291 163 E CA 0.000 56.337 56.400 -0.105 0.000 0.976 163 E CB 0.000 29.649 29.700 -0.084 0.000 0.812 163 E HN 0.000 8.293 8.360 -0.111 0.000 0.440