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 1yx3_1_A DATA FIRST_RESID 1 DATA SEQUENCE MADTIEVDGK QFAVDEEGYL SNLNDWVPGV ADVMAKQDNL ELTEEHWDII DATA SEQUENCE NFLREYYEEY QIAPAVRVLT KAVGKKLGKE KGNSKYLYSL FPYGPAKQAC DATA SEQUENCE RFAGLPKPTG CV 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 4.493 4.480 0.022 0.000 0.227 1 M C 0.000 176.315 176.300 0.025 0.000 1.140 1 M CA 0.000 55.312 55.300 0.020 0.000 0.988 1 M CB 0.000 32.611 32.600 0.018 0.000 1.302 2 A N 2.792 125.630 122.820 0.031 0.000 2.435 2 A HA -0.271 4.154 4.320 0.045 -0.078 0.686 2 A C -2.315 175.291 177.584 0.037 0.000 0.138 2 A CA 0.660 52.720 52.037 0.038 0.000 0.025 2 A CB -0.033 18.991 19.000 0.039 0.000 3.974 2 A HN 0.293 8.705 8.150 0.031 -0.243 0.548 3 D N 0.331 120.758 120.400 0.044 0.000 2.477 3 D HA 0.344 5.004 4.640 0.033 0.000 0.234 3 D C -1.228 175.104 176.300 0.053 0.000 1.048 3 D CA -1.185 52.839 54.000 0.041 0.000 0.959 3 D CB 3.333 44.154 40.800 0.035 0.000 1.408 3 D HN -0.148 8.253 8.370 0.052 0.000 0.496 4 T N -0.767 113.815 114.554 0.047 0.000 2.797 4 T HA 0.758 5.348 4.350 0.087 -0.188 0.279 4 T C 0.045 174.783 174.700 0.064 0.000 0.991 4 T CA -1.890 60.246 62.100 0.060 0.000 0.979 4 T CB 1.700 70.588 68.868 0.032 0.000 0.943 4 T HN 0.045 8.306 8.240 0.035 0.000 0.444 5 I N -0.604 120.029 120.570 0.106 0.000 2.834 5 I HA 0.385 4.596 4.170 0.068 0.000 0.305 5 I C -1.160 175.022 176.117 0.107 0.000 1.008 5 I CA -1.591 59.771 61.300 0.103 0.000 1.273 5 I CB 1.430 39.503 38.000 0.123 0.000 1.432 5 I HN 0.420 8.719 8.210 0.148 0.000 0.557 6 E N 3.771 124.019 120.200 0.081 0.000 2.092 6 E HA 0.419 4.947 4.350 0.041 -0.153 0.271 6 E C -1.165 175.492 176.600 0.096 0.000 0.919 6 E CA -1.293 55.144 56.400 0.061 0.000 0.760 6 E CB 0.836 30.552 29.700 0.027 0.000 1.106 6 E HN 0.138 8.538 8.360 0.066 0.000 0.408 7 V N 6.481 126.487 119.914 0.153 0.000 2.488 7 V HA 0.208 4.388 4.120 0.100 0.000 0.293 7 V C -0.895 175.286 176.094 0.145 0.000 1.027 7 V CA -1.284 61.126 62.300 0.183 0.000 0.862 7 V CB 2.054 34.066 31.823 0.314 0.000 1.008 7 V HN 0.393 8.661 8.190 0.131 0.000 0.428 8 D N 7.332 127.773 120.400 0.068 0.000 3.012 8 D HA -0.347 4.305 4.640 0.020 0.000 0.222 8 D C 0.688 176.990 176.300 0.003 0.000 1.167 8 D CA 1.444 55.465 54.000 0.035 0.000 0.854 8 D CB -0.846 39.987 40.800 0.054 0.000 1.107 8 D HN 0.620 9.031 8.370 0.050 -0.011 0.421 9 G N -3.302 105.494 108.800 -0.006 0.000 2.179 9 G HA2 -0.523 3.421 3.960 -0.026 0.000 0.260 9 G HA3 -0.523 3.418 3.960 -0.032 0.000 0.260 9 G C -0.903 173.948 174.900 -0.082 0.000 0.977 9 G CA 0.206 45.285 45.100 -0.034 0.000 0.641 9 G HN 0.506 9.163 8.290 0.011 -0.360 0.533 10 K N 1.362 121.684 120.400 -0.130 0.000 2.174 10 K HA 0.081 4.240 4.320 -0.269 0.000 0.275 10 K C -0.662 175.700 176.600 -0.397 0.000 1.015 10 K CA -0.646 55.442 56.287 -0.331 0.000 0.933 10 K CB 0.736 32.899 32.500 -0.562 0.000 1.025 10 K HN -0.238 7.761 8.250 -0.065 0.211 0.463 11 Q N 2.413 121.980 119.800 -0.388 0.000 2.377 11 Q HA 0.526 4.995 4.340 -0.139 -0.213 0.249 11 Q C -0.519 175.283 176.000 -0.330 0.000 1.005 11 Q CA -0.824 54.830 55.803 -0.249 0.000 0.912 11 Q CB 0.638 29.299 28.738 -0.127 0.000 1.223 11 Q HN 0.327 8.387 8.270 -0.350 0.000 0.459 12 F N 4.921 124.883 119.950 0.021 0.000 2.408 12 F HA 0.086 4.635 4.527 0.038 0.000 0.344 12 F C -1.150 174.675 175.800 0.041 0.000 1.112 12 F CA -1.223 56.798 58.000 0.035 0.000 1.096 12 F CB 2.026 41.049 39.000 0.038 0.000 1.129 12 F HN -0.134 8.210 8.300 0.074 0.000 0.486 13 A N 4.831 127.790 122.820 0.231 0.000 2.347 13 A HA 0.169 4.558 4.320 0.115 0.000 0.287 13 A C -1.401 176.274 177.584 0.152 0.000 1.199 13 A CA -0.584 51.542 52.037 0.148 0.000 0.851 13 A CB -0.202 18.865 19.000 0.112 0.000 1.118 13 A HN 0.599 8.905 8.150 0.261 0.000 0.525 14 V N -2.439 117.550 119.914 0.124 0.000 2.864 14 V HA 0.627 4.983 4.120 0.125 -0.161 0.314 14 V C -1.492 174.661 176.094 0.097 0.000 1.073 14 V CA -3.328 59.041 62.300 0.115 0.000 0.956 14 V CB 3.434 35.320 31.823 0.106 0.000 1.023 14 V HN 0.022 8.278 8.190 0.110 0.000 0.435 15 D N 3.189 123.655 120.400 0.110 0.000 2.382 15 D HA -0.092 4.594 4.640 0.076 0.000 0.240 15 D C 0.541 176.900 176.300 0.098 0.000 1.146 15 D CA 0.505 54.565 54.000 0.100 0.000 0.897 15 D CB 2.606 43.473 40.800 0.112 0.000 1.197 15 D HN 0.557 8.901 8.370 0.131 0.105 0.432 16 E N 4.184 124.429 120.200 0.075 0.000 2.333 16 E HA -0.240 4.142 4.350 0.054 0.000 0.198 16 E C 0.512 177.157 176.600 0.074 0.000 1.007 16 E CA 2.180 58.617 56.400 0.061 0.000 0.845 16 E CB -0.141 29.587 29.700 0.046 0.000 0.766 16 E HN 0.558 8.956 8.360 0.064 0.000 0.507 17 E N -4.036 116.236 120.200 0.121 0.000 2.427 17 E HA -0.111 4.308 4.350 0.115 0.000 0.196 17 E C 0.134 176.823 176.600 0.148 0.000 1.028 17 E CA 0.312 56.816 56.400 0.173 0.000 0.864 17 E CB 0.763 30.613 29.700 0.250 0.000 0.813 17 E HN -0.239 8.525 8.360 0.126 -0.328 0.514 18 G N -1.990 106.862 108.800 0.088 0.000 2.215 18 G HA2 -0.338 3.599 3.960 -0.037 0.000 0.198 18 G HA3 -0.338 3.514 3.960 -0.180 0.000 0.198 18 G C -1.112 173.622 174.900 -0.277 0.000 1.047 18 G CA 0.005 45.051 45.100 -0.091 0.000 0.747 18 G HN -0.018 8.154 8.290 0.121 0.191 0.495 19 Y N -2.479 117.811 120.300 -0.016 0.000 2.338 19 Y HA 0.112 4.641 4.550 -0.035 0.000 0.333 19 Y C -0.895 175.011 175.900 0.009 0.000 0.968 19 Y CA -1.628 56.457 58.100 -0.026 0.000 1.123 19 Y CB 2.317 40.743 38.460 -0.057 0.000 1.165 19 Y HN -0.912 7.498 8.280 0.215 0.000 0.452 20 L N 4.417 125.725 121.223 0.142 0.000 2.584 20 L HA -0.193 4.230 4.340 0.137 0.000 0.272 20 L C -0.997 175.945 176.870 0.120 0.000 1.195 20 L CA 0.758 55.681 54.840 0.139 0.000 0.920 20 L CB 0.141 42.303 42.059 0.173 0.000 1.173 20 L HN 0.638 8.932 8.230 0.106 0.000 0.489 21 S N 5.424 121.194 115.700 0.116 0.000 2.456 21 S HA -0.071 4.441 4.470 0.071 0.000 0.224 21 S C 0.901 175.561 174.600 0.101 0.000 1.035 21 S CA 1.178 59.433 58.200 0.091 0.000 0.940 21 S CB 0.738 63.987 63.200 0.081 0.000 0.799 21 S HN -0.116 8.269 8.310 0.126 0.000 0.508 22 N N 3.551 122.331 118.700 0.133 0.000 2.671 22 N HA -0.076 4.741 4.740 0.127 0.000 0.274 22 N C -1.009 174.596 175.510 0.159 0.000 1.188 22 N CA -0.212 52.929 53.050 0.152 0.000 1.065 22 N CB -0.465 38.144 38.487 0.204 0.000 1.415 22 N HN -0.516 7.951 8.380 0.146 0.000 0.511 23 L N 3.013 124.314 121.223 0.130 0.000 2.862 23 L HA 0.019 4.447 4.340 0.146 0.000 0.240 23 L C -0.743 176.209 176.870 0.136 0.000 1.283 23 L CA -0.325 54.592 54.840 0.129 0.000 1.117 23 L CB -1.534 40.588 42.059 0.105 0.000 1.444 23 L HN -0.443 7.822 8.230 0.113 0.033 0.456 24 N N -1.251 117.540 118.700 0.150 0.000 2.230 24 N HA 0.008 4.817 4.740 0.116 0.000 0.202 24 N C -0.711 174.894 175.510 0.159 0.000 1.119 24 N CA 0.802 53.935 53.050 0.138 0.000 0.851 24 N CB 0.708 39.271 38.487 0.126 0.000 0.990 24 N HN -0.447 8.078 8.380 0.168 -0.044 0.497 25 D N -0.354 120.158 120.400 0.187 0.000 2.326 25 D HA 0.038 4.781 4.640 0.172 0.000 0.095 25 D C -1.695 174.753 176.300 0.246 0.000 1.442 25 D CA 0.613 54.727 54.000 0.190 0.000 1.342 25 D CB 1.142 42.076 40.800 0.224 0.000 2.455 25 D HN -0.713 7.697 8.370 0.195 0.077 0.200 26 W N 0.385 121.605 121.300 -0.133 0.000 3.086 26 W HA -0.285 4.167 4.660 -0.346 0.000 0.453 26 W C -2.635 173.807 176.519 -0.130 0.000 1.846 26 W CA 0.477 57.712 57.345 -0.183 0.000 0.461 26 W CB -0.051 29.374 29.460 -0.057 0.000 2.859 26 W HN 0.061 8.230 8.180 -0.018 0.000 0.420 27 V N 2.122 121.587 119.914 -0.749 0.000 3.019 27 V HA 0.512 4.340 4.120 -0.486 0.000 0.317 27 V C -1.678 173.803 176.094 -1.022 0.000 1.094 27 V CA -3.799 58.093 62.300 -0.679 0.000 1.000 27 V CB 1.325 32.941 31.823 -0.346 0.000 1.060 27 V HN -0.391 7.265 8.190 -0.889 0.000 0.443 28 P HA -0.222 3.998 4.420 -0.333 0.000 0.217 28 P C 1.272 178.460 177.300 -0.187 0.000 1.148 28 P CA 2.460 65.300 63.100 -0.433 0.000 0.828 28 P CB -0.178 31.238 31.700 -0.473 0.000 0.783 29 G N -3.039 105.618 108.800 -0.238 0.000 2.450 29 G HA2 -0.282 3.639 3.960 -0.065 0.000 0.220 29 G HA3 -0.282 3.611 3.960 -0.111 0.000 0.220 29 G C 1.093 175.902 174.900 -0.152 0.000 1.130 29 G CA 1.672 46.693 45.100 -0.133 0.000 0.760 29 G HN 0.388 8.488 8.290 -0.283 0.020 0.557 30 V N 3.185 122.907 119.914 -0.320 0.000 2.255 30 V HA -0.567 3.450 4.120 -0.171 0.000 0.247 30 V C 1.562 177.575 176.094 -0.134 0.000 1.051 30 V CA 3.898 66.025 62.300 -0.289 0.000 1.018 30 V CB -0.209 31.291 31.823 -0.538 0.000 0.641 30 V HN -0.409 7.367 8.190 -0.480 0.126 0.445 31 A N -1.451 121.288 122.820 -0.134 0.000 1.902 31 A HA -0.373 4.025 4.320 0.131 0.000 0.217 31 A C 1.582 179.058 177.584 -0.181 0.000 1.181 31 A CA 3.056 55.088 52.037 -0.008 0.000 0.623 31 A CB -0.802 18.245 19.000 0.079 0.000 0.818 31 A HN -0.566 7.388 8.150 -0.328 0.000 0.443 32 D N -1.016 119.339 120.400 -0.076 0.000 2.097 32 D HA -0.307 4.215 4.640 -0.197 0.000 0.195 32 D C 2.347 178.575 176.300 -0.120 0.000 0.989 32 D CA 3.678 57.626 54.000 -0.088 0.000 0.827 32 D CB 0.057 40.892 40.800 0.059 0.000 0.966 32 D HN -0.259 8.122 8.370 0.019 0.000 0.456 33 V N -0.135 119.737 119.914 -0.069 0.000 2.407 33 V HA -0.532 3.561 4.120 -0.045 0.000 0.248 33 V C 2.064 178.132 176.094 -0.043 0.000 1.055 33 V CA 3.995 66.268 62.300 -0.045 0.000 1.049 33 V CB -0.013 31.803 31.823 -0.011 0.000 0.662 33 V HN 0.116 8.272 8.190 -0.058 0.000 0.455 34 M N -1.801 117.781 119.600 -0.030 0.000 2.254 34 M HA -0.315 4.186 4.480 0.034 0.000 0.265 34 M C 1.863 178.189 176.300 0.044 0.000 1.066 34 M CA 3.591 58.919 55.300 0.046 0.000 1.123 34 M CB -0.176 32.519 32.600 0.159 0.000 1.388 34 M HN -0.506 7.751 8.290 -0.038 0.010 0.425 35 A N -0.352 122.312 122.820 -0.261 0.000 1.929 35 A HA -0.238 3.825 4.320 -0.428 0.000 0.216 35 A C 1.449 178.905 177.584 -0.213 0.000 1.176 35 A CA 3.035 54.771 52.037 -0.503 0.000 0.628 35 A CB -0.917 17.522 19.000 -0.935 0.000 0.816 35 A HN 0.163 8.012 8.150 -0.316 0.111 0.444 36 K N -1.905 118.400 120.400 -0.159 0.000 2.103 36 K HA -0.392 3.865 4.320 -0.106 0.000 0.207 36 K C 2.280 178.844 176.600 -0.061 0.000 1.048 36 K CA 2.761 58.990 56.287 -0.097 0.000 0.930 36 K CB -0.177 32.281 32.500 -0.070 0.000 0.716 36 K HN -0.035 8.113 8.250 -0.170 0.000 0.444 37 Q N -5.078 114.696 119.800 -0.044 0.000 2.436 37 Q HA -0.164 4.159 4.340 -0.029 0.000 0.209 37 Q C 0.769 176.747 176.000 -0.037 0.000 0.965 37 Q CA 1.865 57.650 55.803 -0.030 0.000 0.910 37 Q CB 0.177 28.903 28.738 -0.020 0.000 0.980 37 Q HN -0.627 7.599 8.270 -0.044 0.018 0.491 38 D N -2.393 117.988 120.400 -0.032 0.000 2.417 38 D HA 0.027 4.616 4.640 -0.085 0.000 0.207 38 D C -0.193 176.085 176.300 -0.035 0.000 1.075 38 D CA -0.561 53.410 54.000 -0.047 0.000 0.851 38 D CB 1.795 42.596 40.800 0.002 0.000 0.976 38 D HN -0.480 7.684 8.370 -0.028 0.189 0.505 39 N N -1.672 117.000 118.700 -0.046 0.000 2.776 39 N HA -0.485 4.217 4.740 -0.062 0.000 0.249 39 N C -2.182 173.291 175.510 -0.061 0.000 1.111 39 N CA 1.022 54.043 53.050 -0.050 0.000 0.711 39 N CB -0.596 37.875 38.487 -0.026 0.000 1.065 39 N HN -0.214 7.952 8.380 -0.054 0.182 0.556 40 L N -1.313 119.856 121.223 -0.091 0.000 2.287 40 L HA 0.211 4.486 4.340 -0.108 0.000 0.287 40 L C -1.606 175.084 176.870 -0.300 0.000 1.022 40 L CA -0.760 53.998 54.840 -0.138 0.000 0.814 40 L CB 1.094 43.151 42.059 -0.003 0.000 1.217 40 L HN -0.526 7.622 8.230 -0.095 0.025 0.420 41 E N 5.796 125.809 120.200 -0.311 0.000 2.301 41 E HA 0.019 4.194 4.350 -0.291 0.000 0.275 41 E C -1.021 175.216 176.600 -0.605 0.000 1.030 41 E CA -1.346 54.854 56.400 -0.334 0.000 0.852 41 E CB 1.150 30.741 29.700 -0.180 0.000 1.060 41 E HN 0.157 8.369 8.360 -0.245 0.000 0.401 42 L N 6.446 127.374 121.223 -0.492 0.000 2.277 42 L HA 0.226 3.947 4.340 -1.031 0.000 0.284 42 L C -0.009 176.830 176.870 -0.051 0.000 1.028 42 L CA -1.197 53.293 54.840 -0.584 0.000 0.835 42 L CB -0.255 41.287 42.059 -0.862 0.000 1.215 42 L HN 0.202 8.246 8.230 -0.311 0.000 0.425 43 T N 1.245 115.933 114.554 0.222 0.000 2.852 43 T HA 0.118 4.629 4.350 0.268 0.000 0.281 43 T C 0.719 175.660 174.700 0.403 0.000 0.993 43 T CA -2.064 60.220 62.100 0.307 0.000 0.933 43 T CB 1.640 70.644 68.868 0.226 0.000 1.187 43 T HN 0.474 9.069 8.240 0.591 0.000 0.559 44 E N -0.925 119.457 120.200 0.303 0.000 2.204 44 E HA -0.372 4.222 4.350 0.408 0.000 0.195 44 E C 1.942 178.682 176.600 0.233 0.000 0.990 44 E CA 3.574 60.147 56.400 0.289 0.000 0.821 44 E CB -0.502 29.300 29.700 0.170 0.000 0.750 44 E HN 0.540 9.033 8.360 0.221 0.000 0.477 45 E N -1.147 119.128 120.200 0.125 0.000 2.047 45 E HA -0.285 4.111 4.350 0.078 0.000 0.191 45 E C 2.313 178.896 176.600 -0.029 0.000 0.987 45 E CA 2.705 59.112 56.400 0.011 0.000 0.799 45 E CB -0.467 29.151 29.700 -0.137 0.000 0.752 45 E HN -0.577 7.828 8.360 0.117 0.025 0.449 46 H N 1.021 120.081 119.070 -0.016 0.000 2.321 46 H HA -0.266 4.295 4.556 0.009 0.000 0.300 46 H C 2.425 177.800 175.328 0.077 0.000 1.087 46 H CA 4.033 60.051 56.048 -0.050 0.000 1.319 46 H CB -0.042 29.553 29.762 -0.278 0.000 1.379 46 H HN -0.833 7.358 8.280 -0.030 0.071 0.501 47 W N -1.771 119.685 121.300 0.261 0.000 2.374 47 W HA -0.363 4.460 4.660 0.272 0.000 0.288 47 W C 2.253 178.905 176.519 0.222 0.000 1.218 47 W CA 3.385 60.868 57.345 0.231 0.000 1.245 47 W CB -0.092 29.467 29.460 0.164 0.000 1.126 47 W HN 0.568 8.954 8.180 0.344 0.000 0.545 48 D N 0.143 120.777 120.400 0.390 0.000 2.117 48 D HA -0.253 4.571 4.640 0.307 0.000 0.198 48 D C 2.349 178.826 176.300 0.294 0.000 0.982 48 D CA 3.579 57.755 54.000 0.293 0.000 0.828 48 D CB 0.115 41.033 40.800 0.195 0.000 0.967 48 D HN -0.333 8.232 8.370 0.351 0.016 0.464 49 I N -0.013 120.716 120.570 0.265 0.000 2.252 49 I HA -0.460 3.846 4.170 0.227 0.000 0.245 49 I C 2.010 178.313 176.117 0.310 0.000 1.102 49 I CA 3.676 65.137 61.300 0.269 0.000 1.385 49 I CB 0.079 38.244 38.000 0.275 0.000 1.064 49 I HN -0.665 7.618 8.210 0.244 0.073 0.414 50 I N 0.277 121.030 120.570 0.306 0.000 2.163 50 I HA -0.602 3.668 4.170 0.167 0.000 0.243 50 I C 2.072 178.317 176.117 0.213 0.000 1.085 50 I CA 4.658 66.107 61.300 0.249 0.000 1.347 50 I CB -0.320 37.844 38.000 0.275 0.000 1.044 50 I HN 0.612 8.909 8.210 0.330 0.111 0.408 51 N N -0.999 117.899 118.700 0.330 0.000 2.188 51 N HA -0.355 4.473 4.740 0.147 0.000 0.184 51 N C 1.599 177.233 175.510 0.206 0.000 1.018 51 N CA 3.400 56.604 53.050 0.257 0.000 0.858 51 N CB -0.000 38.688 38.487 0.335 0.000 0.989 51 N HN 0.008 8.530 8.380 0.420 0.111 0.426 52 F N 1.697 121.725 119.950 0.130 0.000 2.069 52 F HA -0.356 4.262 4.527 0.151 0.000 0.298 52 F C 1.340 177.213 175.800 0.121 0.000 1.113 52 F CA 3.753 61.828 58.000 0.125 0.000 1.214 52 F CB 0.150 39.211 39.000 0.101 0.000 0.978 52 F HN -0.187 8.272 8.300 0.423 0.095 0.474 53 L N -1.568 119.716 121.223 0.101 0.000 2.083 53 L HA -0.502 3.779 4.340 -0.099 0.000 0.209 53 L C 2.207 179.051 176.870 -0.043 0.000 1.083 53 L CA 3.102 57.929 54.840 -0.022 0.000 0.752 53 L CB -0.717 41.337 42.059 -0.007 0.000 0.899 53 L HN 0.354 8.743 8.230 0.265 0.000 0.433 54 R N -0.504 119.928 120.500 -0.113 0.000 2.080 54 R HA -0.388 3.800 4.340 -0.253 0.000 0.236 54 R C 2.109 178.369 176.300 -0.067 0.000 1.137 54 R CA 2.780 58.753 56.100 -0.212 0.000 0.943 54 R CB -0.749 29.279 30.300 -0.452 0.000 0.846 54 R HN 0.033 8.251 8.270 -0.086 0.000 0.431 55 E N -0.858 119.319 120.200 -0.038 0.000 2.047 55 E HA -0.327 4.015 4.350 -0.014 0.000 0.191 55 E C 1.981 178.582 176.600 0.002 0.000 0.987 55 E CA 2.873 59.265 56.400 -0.014 0.000 0.799 55 E CB 0.042 29.750 29.700 0.012 0.000 0.752 55 E HN 0.054 8.287 8.360 -0.033 0.108 0.449 56 Y N 0.493 120.685 120.300 -0.180 0.000 2.128 56 Y HA -0.460 4.175 4.550 0.142 0.000 0.284 56 Y C 1.570 177.518 175.900 0.080 0.000 1.154 56 Y CA 4.069 62.111 58.100 -0.097 0.000 1.149 56 Y CB 0.212 38.370 38.460 -0.504 0.000 0.976 56 Y HN 0.434 8.552 8.280 -0.083 0.112 0.505 57 Y N -0.137 120.231 120.300 0.113 0.000 2.242 57 Y HA -0.327 4.455 4.550 0.119 -0.161 0.291 57 Y C 1.557 177.449 175.900 -0.013 0.000 1.137 57 Y CA 2.905 61.041 58.100 0.061 0.000 1.181 57 Y CB 0.332 38.798 38.460 0.010 0.000 0.989 57 Y HN 0.281 8.735 8.280 0.290 0.000 0.527 58 E N -1.554 118.644 120.200 -0.003 0.000 2.107 58 E HA -0.313 3.958 4.350 -0.132 0.000 0.191 58 E C 1.650 178.139 176.600 -0.185 0.000 0.982 58 E CA 2.578 58.921 56.400 -0.094 0.000 0.809 58 E CB -0.027 29.659 29.700 -0.023 0.000 0.756 58 E HN -0.624 7.685 8.360 0.085 0.102 0.459 59 E N -2.283 117.790 120.200 -0.211 0.000 2.102 59 E HA -0.148 4.028 4.350 -0.290 0.000 0.190 59 E C 1.714 178.030 176.600 -0.473 0.000 0.971 59 E CA 1.661 57.847 56.400 -0.357 0.000 0.821 59 E CB 0.982 30.401 29.700 -0.468 0.000 0.777 59 E HN -0.262 8.010 8.360 -0.146 0.000 0.460 60 Y N -4.167 115.903 120.300 -0.382 0.000 2.503 60 Y HA -0.029 4.332 4.550 -0.315 0.000 0.278 60 Y C -0.607 175.104 175.900 -0.313 0.000 1.111 60 Y CA 0.884 58.748 58.100 -0.394 0.000 1.270 60 Y CB 0.799 38.858 38.460 -0.667 0.000 1.063 60 Y HN 0.072 8.131 8.280 -0.191 0.107 0.548 61 Q N -6.355 113.286 119.800 -0.264 0.000 2.460 61 Q HA -0.406 3.561 4.340 -0.876 -0.152 0.248 61 Q C -1.243 174.614 176.000 -0.238 0.000 0.847 61 Q CA 1.759 57.297 55.803 -0.441 0.000 1.214 61 Q CB -2.349 26.217 28.738 -0.285 0.000 1.523 61 Q HN -0.364 7.634 8.270 -0.300 0.092 0.602 62 I N -1.541 119.022 120.570 -0.011 0.000 2.433 62 I HA 0.077 4.335 4.170 0.148 0.000 0.292 62 I C -1.751 174.604 176.117 0.398 0.000 1.001 62 I CA -1.269 60.146 61.300 0.191 0.000 1.119 62 I CB 2.313 40.436 38.000 0.204 0.000 1.289 62 I HN -0.831 7.323 8.210 -0.013 0.048 0.438 63 A N 6.989 130.003 122.820 0.323 0.000 2.260 63 A HA 0.439 4.914 4.320 0.259 0.000 0.312 63 A C -2.119 175.505 177.584 0.066 0.000 1.321 63 A CA -2.898 49.266 52.037 0.212 0.000 0.928 63 A CB -0.377 18.688 19.000 0.107 0.000 1.158 63 A HN 0.318 8.618 8.150 0.251 0.000 0.542 64 P HA -0.076 4.287 4.420 -0.094 0.000 0.270 64 P C -1.282 175.970 177.300 -0.080 0.000 1.242 64 P CA -0.147 62.878 63.100 -0.126 0.000 0.768 64 P CB 0.382 31.899 31.700 -0.305 0.000 0.820 65 A N 5.223 128.011 122.820 -0.053 0.000 2.292 65 A HA 0.019 4.306 4.320 -0.056 0.000 0.265 65 A C 0.422 177.974 177.584 -0.053 0.000 1.133 65 A CA -0.915 51.093 52.037 -0.048 0.000 0.807 65 A CB 1.248 20.230 19.000 -0.030 0.000 1.102 65 A HN 0.025 8.151 8.150 -0.039 0.000 0.502 66 V N -0.510 119.376 119.914 -0.046 0.000 2.490 66 V HA -0.399 3.686 4.120 -0.057 0.000 0.250 66 V C 1.575 177.659 176.094 -0.017 0.000 1.061 66 V CA 3.677 65.954 62.300 -0.039 0.000 1.064 66 V CB -0.054 31.752 31.823 -0.030 0.000 0.670 66 V HN 0.598 8.762 8.190 -0.043 0.000 0.461 67 R N -2.534 117.959 120.500 -0.012 0.000 2.115 67 R HA -0.172 4.173 4.340 0.007 0.000 0.230 67 R C 2.568 178.860 176.300 -0.014 0.000 1.111 67 R CA 2.672 58.770 56.100 -0.004 0.000 0.976 67 R CB -0.966 29.333 30.300 -0.001 0.000 0.870 67 R HN 0.563 8.810 8.270 -0.014 0.014 0.445 68 V N 0.413 120.309 119.914 -0.029 0.000 2.426 68 V HA -0.237 3.865 4.120 -0.030 0.000 0.242 68 V C 1.762 177.820 176.094 -0.060 0.000 1.036 68 V CA 3.542 65.816 62.300 -0.045 0.000 1.044 68 V CB -0.023 31.762 31.823 -0.062 0.000 0.688 68 V HN -0.510 7.516 8.190 -0.033 0.145 0.462 69 L N 0.367 121.551 121.223 -0.066 0.000 2.013 69 L HA -0.405 3.903 4.340 -0.052 0.000 0.212 69 L C 1.421 178.257 176.870 -0.056 0.000 1.073 69 L CA 4.257 59.062 54.840 -0.058 0.000 0.753 69 L CB -0.595 41.432 42.059 -0.053 0.000 0.890 69 L HN 0.711 8.795 8.230 -0.064 0.108 0.432 70 T N -1.183 113.354 114.554 -0.028 0.000 2.803 70 T HA -0.429 3.924 4.350 0.006 0.000 0.269 70 T C 1.616 176.300 174.700 -0.025 0.000 1.052 70 T CA 5.338 67.434 62.100 -0.006 0.000 1.136 70 T CB -0.625 68.257 68.868 0.023 0.000 0.864 70 T HN -0.456 7.770 8.240 -0.023 0.000 0.467 71 K N 0.692 121.074 120.400 -0.030 0.000 2.044 71 K HA -0.282 4.025 4.320 -0.023 0.000 0.204 71 K C 2.046 178.617 176.600 -0.048 0.000 1.049 71 K CA 3.174 59.444 56.287 -0.028 0.000 0.945 71 K CB -0.306 32.185 32.500 -0.014 0.000 0.724 71 K HN -0.667 7.453 8.250 -0.028 0.114 0.440 72 A N -0.156 122.628 122.820 -0.060 0.000 1.877 72 A HA -0.195 4.127 4.320 0.003 0.000 0.216 72 A C 2.283 179.720 177.584 -0.244 0.000 1.186 72 A CA 3.076 55.074 52.037 -0.067 0.000 0.620 72 A CB -0.608 18.414 19.000 0.037 0.000 0.822 72 A HN 0.041 8.157 8.150 -0.056 0.000 0.443 73 V N -2.218 117.496 119.914 -0.334 0.000 2.490 73 V HA -0.458 3.290 4.120 -0.620 0.000 0.250 73 V C 2.406 178.382 176.094 -0.197 0.000 1.061 73 V CA 4.733 66.807 62.300 -0.376 0.000 1.064 73 V CB -0.444 31.233 31.823 -0.244 0.000 0.670 73 V HN 0.433 8.477 8.190 -0.244 0.000 0.461 74 G N -1.081 107.644 108.800 -0.125 0.000 2.440 74 G HA2 -0.337 3.661 3.960 -0.100 0.000 0.218 74 G HA3 -0.337 3.582 3.960 -0.068 0.000 0.218 74 G C 1.158 176.010 174.900 -0.081 0.000 1.154 74 G CA 2.183 47.229 45.100 -0.090 0.000 0.767 74 G HN -0.465 7.647 8.290 -0.113 0.111 0.552 75 K N -1.806 118.553 120.400 -0.069 0.000 2.137 75 K HA 0.042 4.344 4.320 -0.030 0.000 0.202 75 K C 1.102 177.680 176.600 -0.036 0.000 1.052 75 K CA 0.525 56.791 56.287 -0.036 0.000 0.961 75 K CB -0.111 32.387 32.500 -0.003 0.000 0.741 75 K HN -0.786 7.418 8.250 -0.076 0.000 0.452 76 K N -1.932 118.420 120.400 -0.079 0.000 1.984 76 K HA -0.178 4.152 4.320 0.017 0.000 0.209 76 K C 2.509 179.073 176.600 -0.061 0.000 1.046 76 K CA 1.659 57.907 56.287 -0.066 0.000 0.934 76 K CB 0.074 32.442 32.500 -0.220 0.000 0.717 76 K HN -0.266 7.906 8.250 -0.130 0.000 0.438 77 L N -2.997 118.162 121.223 -0.108 0.000 2.056 77 L HA -0.149 4.170 4.340 -0.035 0.000 0.207 77 L C 0.682 177.521 176.870 -0.051 0.000 1.078 77 L CA 1.730 56.530 54.840 -0.067 0.000 0.749 77 L CB 0.579 42.593 42.059 -0.075 0.000 0.901 77 L HN -0.159 7.859 8.230 -0.161 0.115 0.433 78 G N -4.672 104.088 108.800 -0.068 0.000 2.894 78 G HA2 0.021 3.958 3.960 -0.039 0.000 0.164 78 G HA3 0.021 3.934 3.960 -0.078 0.000 0.164 78 G C -2.039 172.828 174.900 -0.054 0.000 1.180 78 G CA 0.221 45.286 45.100 -0.059 0.000 0.997 78 G HN -1.020 7.222 8.290 -0.081 0.000 0.572 79 K N -0.509 119.854 120.400 -0.060 0.000 2.121 79 K HA -0.046 4.253 4.320 -0.035 0.000 0.203 79 K C -0.928 175.639 176.600 -0.055 0.000 1.041 79 K CA 2.069 58.328 56.287 -0.048 0.000 0.969 79 K CB 0.523 32.998 32.500 -0.043 0.000 0.799 79 K HN 0.026 8.232 8.250 -0.073 0.000 0.456 80 E N -6.561 113.593 120.200 -0.076 0.000 3.586 80 E HA 0.197 4.507 4.350 -0.065 0.000 0.175 80 E C -0.079 176.449 176.600 -0.120 0.000 0.980 80 E CA -0.365 55.988 56.400 -0.077 0.000 1.391 80 E CB -0.843 28.822 29.700 -0.057 0.000 1.101 80 E HN -0.241 8.065 8.360 -0.090 0.000 0.440 81 K N 1.690 121.989 120.400 -0.168 0.000 2.439 81 K HA -0.133 3.971 4.320 -0.359 0.000 0.197 81 K C 0.312 176.747 176.600 -0.276 0.000 1.041 81 K CA -0.074 56.027 56.287 -0.310 0.000 0.970 81 K CB 0.151 32.441 32.500 -0.349 0.000 0.773 81 K HN -0.048 8.117 8.250 -0.141 0.000 0.479 82 G N -0.969 107.757 108.800 -0.123 0.000 2.821 82 G HA2 -0.010 3.966 3.960 0.026 0.000 0.289 82 G HA3 -0.010 4.093 3.960 -0.036 -0.165 0.289 82 G C -0.839 174.067 174.900 0.011 0.000 0.771 82 G CA -0.275 44.807 45.100 -0.030 0.000 1.908 82 G HN -0.190 7.975 8.290 -0.113 0.057 0.539 83 N N 3.810 122.548 118.700 0.063 0.000 2.370 83 N HA 0.228 5.001 4.740 0.055 0.000 0.303 83 N C 0.488 176.100 175.510 0.170 0.000 1.103 83 N CA -1.005 52.099 53.050 0.091 0.000 0.848 83 N CB 3.062 41.589 38.487 0.067 0.000 1.235 83 N HN -0.435 7.971 8.380 0.096 0.031 0.496 84 S N 3.930 119.716 115.700 0.143 0.000 2.359 84 S HA -0.403 4.208 4.470 0.236 0.000 0.224 84 S C 1.689 176.459 174.600 0.283 0.000 1.035 84 S CA 4.450 62.774 58.200 0.206 0.000 1.018 84 S CB -0.222 63.057 63.200 0.133 0.000 0.876 84 S HN 0.626 8.994 8.310 0.098 0.000 0.448 85 K N 1.058 121.564 120.400 0.176 0.000 2.097 85 K HA -0.163 4.235 4.320 0.129 0.000 0.206 85 K C 2.226 178.953 176.600 0.212 0.000 1.049 85 K CA 1.980 58.361 56.287 0.157 0.000 0.933 85 K CB -0.680 31.872 32.500 0.086 0.000 0.717 85 K HN 0.049 8.374 8.250 0.125 0.000 0.442 86 Y N -0.439 119.908 120.300 0.078 0.000 2.181 86 Y HA -0.297 4.265 4.550 0.021 0.000 0.288 86 Y C 1.615 177.544 175.900 0.048 0.000 1.146 86 Y CA 3.030 61.153 58.100 0.038 0.000 1.164 86 Y CB -0.249 38.215 38.460 0.006 0.000 0.982 86 Y HN -0.367 7.992 8.280 0.296 0.099 0.515 87 L N -2.478 118.813 121.223 0.114 0.000 2.083 87 L HA -0.423 3.885 4.340 -0.055 0.000 0.209 87 L C 2.279 179.156 176.870 0.012 0.000 1.083 87 L CA 3.433 58.296 54.840 0.038 0.000 0.752 87 L CB -1.142 40.974 42.059 0.095 0.000 0.899 87 L HN -0.125 8.258 8.230 0.256 0.000 0.433 88 Y N -2.185 118.133 120.300 0.030 0.000 2.439 88 Y HA -0.160 4.598 4.550 0.086 -0.157 0.292 88 Y C 2.612 178.506 175.900 -0.010 0.000 1.130 88 Y CA 2.713 60.836 58.100 0.038 0.000 1.254 88 Y CB -0.509 37.970 38.460 0.032 0.000 1.000 88 Y HN -0.204 8.307 8.280 0.385 0.000 0.554 89 S N -1.010 114.719 115.700 0.049 0.000 2.470 89 S HA -0.135 4.346 4.470 0.019 0.000 0.225 89 S C 0.794 175.289 174.600 -0.174 0.000 1.006 89 S CA 2.843 61.015 58.200 -0.047 0.000 0.934 89 S CB -0.171 62.990 63.200 -0.064 0.000 0.778 89 S HN -0.370 7.812 8.310 0.042 0.153 0.517 90 L N -1.729 119.293 121.223 -0.336 0.000 2.145 90 L HA -0.020 4.068 4.340 -0.421 0.000 0.201 90 L C -0.040 176.552 176.870 -0.464 0.000 1.075 90 L CA 2.153 56.656 54.840 -0.562 0.000 0.773 90 L CB 0.958 42.379 42.059 -1.063 0.000 0.936 90 L HN -0.743 7.161 8.230 -0.314 0.137 0.451 91 F N -4.234 115.722 119.950 0.010 0.000 2.443 91 F HA 0.512 5.106 4.527 0.112 0.000 0.369 91 F C -1.884 173.916 175.800 0.000 0.000 1.090 91 F CA -2.378 55.643 58.000 0.035 0.000 1.129 91 F CB 0.136 39.126 39.000 -0.017 0.000 1.367 91 F HN 0.160 8.425 8.300 -0.058 0.000 0.465 92 P HA 0.004 4.666 4.420 0.197 -0.123 0.242 92 P C -0.970 176.449 177.300 0.198 0.000 1.197 92 P CA 1.227 64.437 63.100 0.183 0.000 0.765 92 P CB 0.220 32.011 31.700 0.151 0.000 0.936 93 Y N -1.782 118.561 120.300 0.072 0.000 2.497 93 Y HA 0.050 4.628 4.550 0.046 0.000 0.265 93 Y C -0.834 175.053 175.900 -0.021 0.000 1.111 93 Y CA -0.066 58.053 58.100 0.031 0.000 1.288 93 Y CB 1.077 39.546 38.460 0.014 0.000 1.082 93 Y HN -0.434 7.955 8.280 0.324 0.085 0.536 94 G N -1.448 107.355 108.800 0.005 0.000 2.588 94 G HA2 -0.049 3.731 3.960 -0.300 0.000 0.239 94 G HA3 -0.049 3.851 3.960 -0.100 0.000 0.239 94 G C -2.604 172.170 174.900 -0.211 0.000 1.275 94 G CA -0.505 44.500 45.100 -0.158 0.000 1.181 94 G HN -0.766 7.403 8.290 0.057 0.155 0.595 95 P HA -0.279 4.130 4.420 -0.018 0.000 0.209 95 P C 1.112 178.168 177.300 -0.406 0.000 1.167 95 P CA 2.184 65.132 63.100 -0.254 0.000 0.941 95 P CB 0.497 32.045 31.700 -0.254 0.000 0.787 96 A N -3.515 119.140 122.820 -0.275 0.000 1.930 96 A HA -0.338 3.822 4.320 -0.266 0.000 0.217 96 A C 2.485 179.915 177.584 -0.257 0.000 1.175 96 A CA 3.011 54.902 52.037 -0.243 0.000 0.627 96 A CB -0.559 18.354 19.000 -0.145 0.000 0.815 96 A HN 0.402 8.416 8.150 -0.226 0.000 0.443 97 K N -0.732 119.546 120.400 -0.204 0.000 2.097 97 K HA -0.179 4.101 4.320 -0.067 0.000 0.205 97 K C 2.462 178.923 176.600 -0.232 0.000 1.050 97 K CA 2.737 58.951 56.287 -0.121 0.000 0.938 97 K CB -0.149 32.331 32.500 -0.034 0.000 0.718 97 K HN -0.041 8.094 8.250 -0.191 0.000 0.442 98 Q N -0.910 118.662 119.800 -0.380 0.000 2.123 98 Q HA -0.224 3.736 4.340 -0.635 0.000 0.199 98 Q C 2.146 177.592 176.000 -0.922 0.000 0.966 98 Q CA 2.487 57.922 55.803 -0.613 0.000 0.845 98 Q CB -0.275 28.263 28.738 -0.332 0.000 0.907 98 Q HN 0.242 8.208 8.270 -0.338 0.101 0.439 99 A N -0.371 121.850 122.820 -0.998 0.000 1.877 99 A HA -0.238 3.651 4.320 -0.718 0.000 0.216 99 A C 2.015 179.380 177.584 -0.365 0.000 1.186 99 A CA 3.394 54.959 52.037 -0.786 0.000 0.620 99 A CB -0.672 17.882 19.000 -0.744 0.000 0.822 99 A HN 0.207 7.766 8.150 -0.986 0.000 0.443 100 C N -3.690 115.429 119.300 -0.302 0.000 2.422 100 C HA -0.366 4.000 4.460 -0.158 0.000 0.279 100 C C 1.579 176.477 174.990 -0.153 0.000 1.305 100 C CA 2.470 61.385 59.018 -0.172 0.000 1.757 100 C CB -1.084 26.589 27.740 -0.110 0.000 1.962 100 C HN -0.176 7.855 8.230 -0.332 0.000 0.499 101 R N 2.004 122.311 120.500 -0.322 0.000 2.096 101 R HA -0.328 3.627 4.340 -0.642 0.000 0.240 101 R C 1.921 178.020 176.300 -0.335 0.000 1.139 101 R CA 3.438 59.169 56.100 -0.615 0.000 0.952 101 R CB -0.412 29.258 30.300 -1.050 0.000 0.854 101 R HN -0.804 7.243 8.270 -0.361 0.006 0.436 102 F N -4.030 115.832 119.950 -0.148 0.000 2.367 102 F HA -0.047 4.463 4.527 -0.028 0.000 0.298 102 F C 1.742 177.625 175.800 0.138 0.000 1.094 102 F CA 0.309 58.289 58.000 -0.033 0.000 1.409 102 F CB -0.621 38.331 39.000 -0.079 0.000 1.064 102 F HN -0.624 7.322 8.300 -0.591 0.000 0.528 103 A N -3.189 119.715 122.820 0.141 0.000 2.168 103 A HA -0.106 4.180 4.320 -0.056 0.000 0.215 103 A C 0.582 177.984 177.584 -0.303 0.000 1.152 103 A CA 1.261 53.243 52.037 -0.092 0.000 0.716 103 A CB -0.671 18.229 19.000 -0.167 0.000 0.794 103 A HN 0.053 8.105 8.150 0.020 0.109 0.465 104 G N -2.964 105.823 108.800 -0.023 0.000 2.137 104 G HA2 -0.299 3.738 3.960 0.129 0.000 0.237 104 G HA3 -0.299 3.662 3.960 0.002 0.000 0.237 104 G C -0.447 174.397 174.900 -0.093 0.000 1.002 104 G CA 0.104 45.210 45.100 0.011 0.000 0.702 104 G HN -0.642 7.500 8.290 0.049 0.178 0.515 105 L N -0.215 120.928 121.223 -0.134 0.000 2.343 105 L HA 0.434 4.544 4.340 -0.384 0.000 0.275 105 L C -2.067 174.752 176.870 -0.085 0.000 1.056 105 L CA -2.828 51.860 54.840 -0.253 0.000 0.804 105 L CB 0.397 42.244 42.059 -0.353 0.000 1.203 105 L HN -0.035 8.108 8.230 -0.100 0.027 0.440 106 P HA -0.036 4.287 4.420 -0.162 0.000 0.273 106 P C -1.185 175.920 177.300 -0.325 0.000 1.250 106 P CA -1.323 61.655 63.100 -0.203 0.000 0.793 106 P CB 0.404 32.003 31.700 -0.169 0.000 1.011 107 K N 0.007 120.083 120.400 -0.540 0.000 2.402 107 K HA -0.115 3.837 4.320 -0.612 0.000 0.279 107 K C -1.135 175.313 176.600 -0.253 0.000 1.082 107 K CA -0.292 55.679 56.287 -0.527 0.000 1.080 107 K CB 0.149 32.327 32.500 -0.538 0.000 0.899 107 K HN 0.313 8.228 8.250 -0.558 0.000 0.469 108 P HA 0.224 4.592 4.420 -0.087 0.000 0.298 108 P C -1.048 176.203 177.300 -0.081 0.000 1.365 108 P CA -0.667 62.370 63.100 -0.105 0.000 0.835 108 P CB 0.254 31.902 31.700 -0.088 0.000 0.948 109 T N 3.008 117.523 114.554 -0.064 0.000 3.176 109 T HA 0.076 4.399 4.350 -0.046 0.000 0.259 109 T C -0.017 174.667 174.700 -0.028 0.000 0.978 109 T CA 0.033 62.105 62.100 -0.047 0.000 1.050 109 T CB 1.246 70.084 68.868 -0.051 0.000 1.136 109 T HN 0.386 8.588 8.240 -0.063 0.000 0.465 110 G N 2.384 111.170 108.800 -0.023 0.000 2.725 110 G HA2 -0.293 3.666 3.960 -0.002 0.000 0.220 110 G HA3 -0.293 3.665 3.960 -0.003 0.000 0.220 110 G C -1.443 173.452 174.900 -0.008 0.000 1.357 110 G CA -0.749 44.346 45.100 -0.008 0.000 0.866 110 G HN -0.349 7.923 8.290 -0.030 0.000 0.548 111 C N 0.923 120.222 119.300 -0.002 0.000 2.158 111 C HA 0.340 4.796 4.460 -0.005 0.000 0.350 111 C C -0.491 174.497 174.990 -0.002 0.000 1.064 111 C CA -0.131 58.886 59.018 -0.003 0.000 1.507 111 C CB -0.794 26.946 27.740 0.000 0.000 1.934 111 C HN -0.112 8.119 8.230 0.002 0.000 0.479 112 V N 0.000 119.911 119.914 -0.005 0.000 2.409 112 V HA 0.000 4.119 4.120 -0.002 0.000 0.244 112 V CA 0.000 62.297 62.300 -0.004 0.000 1.235 112 V CB 0.000 31.820 31.823 -0.006 0.000 1.184 112 V HN 0.000 8.186 8.190 -0.007 0.000 0.556