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 1yx5_16_A DATA FIRST_RESID 1 DATA SEQUENCE HMLGLGASDF EFGVDPSADP ELALALRVSM EEQRQRQEEE ARRAAAASAA DATA SEQUENCE EAGIATTGTE DSDDALLKMT ISQQEFGRTG LPDLSSMTEE EQIAYAMQMS DATA SEQUENCE LQGAEFGQAE SA 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 H HA 0.000 4.556 4.556 -0.001 0.000 0.296 1 H C 0.000 175.330 175.328 0.003 0.000 0.993 1 H CA 0.000 56.050 56.048 0.003 0.000 1.023 1 H CB 0.000 29.765 29.762 0.006 0.000 1.292 2 M N 1.079 120.685 119.600 0.011 0.000 1.921 2 M HA 0.063 4.490 4.480 -0.089 0.000 0.243 2 M C -0.955 175.375 176.300 0.050 0.000 1.280 2 M CA -0.441 54.846 55.300 -0.023 0.000 0.988 2 M CB 1.018 33.620 32.600 0.003 0.000 1.336 2 M HN 0.155 8.484 8.290 0.066 0.000 0.496 3 L N -1.558 119.682 121.223 0.028 0.000 2.965 3 L HA 0.282 4.687 4.340 0.108 0.000 0.254 3 L C 0.431 177.328 176.870 0.045 0.000 1.220 3 L CA 0.090 54.965 54.840 0.058 0.000 1.023 3 L CB 0.289 42.367 42.059 0.031 0.000 1.355 3 L HN 0.010 8.241 8.230 0.002 0.000 0.545 4 G N 0.533 109.356 108.800 0.038 0.000 2.658 4 G HA2 -0.174 3.799 3.960 0.022 0.000 0.217 4 G HA3 -0.174 3.797 3.960 0.020 0.000 0.217 4 G C 0.684 175.602 174.900 0.030 0.000 1.319 4 G CA 1.007 46.123 45.100 0.026 0.000 0.885 4 G HN -0.166 8.071 8.290 0.040 0.077 0.553 5 L N -0.249 120.989 121.223 0.026 0.000 2.425 5 L HA 0.222 4.576 4.340 0.024 0.000 0.215 5 L C 0.703 177.586 176.870 0.022 0.000 1.065 5 L CA 0.426 55.277 54.840 0.019 0.000 0.842 5 L CB 0.993 43.053 42.059 0.002 0.000 1.033 5 L HN -0.349 7.895 8.230 0.024 0.000 0.474 6 G N -0.292 108.527 108.800 0.031 0.000 2.977 6 G HA2 0.117 4.077 3.960 -0.000 0.000 0.306 6 G HA3 0.117 4.094 3.960 0.028 0.000 0.306 6 G C -2.302 172.649 174.900 0.085 0.000 0.885 6 G CA -0.475 44.644 45.100 0.032 0.000 1.649 6 G HN -0.069 8.244 8.290 0.037 0.000 0.514 7 A N 3.431 126.295 122.820 0.074 0.000 2.512 7 A HA 0.192 4.570 4.320 0.095 0.000 0.290 7 A C -1.162 176.464 177.584 0.070 0.000 1.041 7 A CA 0.148 52.242 52.037 0.095 0.000 0.911 7 A CB 1.601 20.673 19.000 0.120 0.000 1.407 7 A HN -0.682 7.505 8.150 0.062 0.000 0.398 8 S N 0.839 116.570 115.700 0.053 0.000 3.473 8 S HA -0.330 4.491 4.470 0.031 -0.332 0.339 8 S C -0.314 174.331 174.600 0.074 0.000 1.148 8 S CA 1.669 59.897 58.200 0.047 0.000 0.969 8 S CB -0.346 62.876 63.200 0.037 0.000 0.936 8 S HN 0.494 8.820 8.310 0.028 0.000 0.530 9 D N -1.583 118.890 120.400 0.121 0.000 2.392 9 D HA 0.081 4.804 4.640 0.139 0.000 0.206 9 D C -0.319 176.196 176.300 0.357 0.000 1.046 9 D CA 1.162 55.270 54.000 0.179 0.000 0.865 9 D CB 0.701 41.587 40.800 0.142 0.000 0.969 9 D HN 0.182 8.580 8.370 0.114 0.040 0.509 10 F N 0.031 120.023 119.950 0.069 0.000 2.530 10 F HA 0.246 4.927 4.527 0.257 0.000 0.318 10 F C -1.559 174.330 175.800 0.148 0.000 1.356 10 F CA -1.838 56.259 58.000 0.161 0.000 1.135 10 F CB 0.770 39.834 39.000 0.107 0.000 1.315 10 F HN -0.381 8.102 8.300 0.304 0.000 0.549 11 E N 3.230 123.429 120.200 -0.000 0.000 1.858 11 E HA -0.084 4.212 4.350 -0.090 0.000 0.267 11 E C -1.357 174.899 176.600 -0.574 0.000 1.215 11 E CA 0.564 56.832 56.400 -0.220 0.000 0.952 11 E CB -1.141 28.389 29.700 -0.283 0.000 1.058 11 E HN 0.002 8.363 8.360 0.001 0.000 0.407 12 F N 3.248 123.116 119.950 -0.137 0.000 1.796 12 F HA 0.136 4.584 4.527 -0.133 0.000 0.233 12 F C -0.238 175.508 175.800 -0.089 0.000 1.242 12 F CA 0.692 58.598 58.000 -0.157 0.000 1.308 12 F CB 1.557 40.373 39.000 -0.306 0.000 1.920 12 F HN -0.465 7.855 8.300 0.032 0.000 0.237 13 G N -1.068 107.830 108.800 0.164 0.000 4.250 13 G HA2 0.176 4.177 3.960 0.068 0.000 0.295 13 G HA3 0.176 4.188 3.960 0.087 0.000 0.295 13 G C -1.188 173.766 174.900 0.090 0.000 1.081 13 G CA 0.217 45.374 45.100 0.095 0.000 0.854 13 G HN -0.053 8.352 8.290 0.193 0.000 0.524 14 V N -2.160 117.812 119.914 0.096 0.000 3.251 14 V HA 0.220 4.382 4.120 0.069 0.000 0.239 14 V C -1.389 174.725 176.094 0.033 0.000 1.332 14 V CA 0.194 62.543 62.300 0.081 0.000 1.224 14 V CB 1.324 33.234 31.823 0.145 0.000 1.004 14 V HN -0.382 7.865 8.190 0.094 0.000 0.464 15 D N -0.030 120.383 120.400 0.021 0.000 2.481 15 D HA 0.435 5.069 4.640 -0.009 0.000 0.244 15 D C -1.262 175.028 176.300 -0.016 0.000 1.057 15 D CA -2.260 51.736 54.000 -0.007 0.000 0.848 15 D CB 2.145 42.935 40.800 -0.017 0.000 1.388 15 D HN -0.255 8.134 8.370 0.033 0.000 0.475 16 P HA 0.018 4.426 4.420 -0.020 0.000 0.233 16 P C 0.305 177.586 177.300 -0.032 0.000 1.167 16 P CA 0.846 63.934 63.100 -0.020 0.000 0.770 16 P CB 0.588 32.281 31.700 -0.011 0.000 0.837 17 S N -0.410 115.269 115.700 -0.034 0.000 2.555 17 S HA -0.123 4.325 4.470 -0.036 0.000 0.230 17 S C 0.091 174.647 174.600 -0.074 0.000 0.978 17 S CA 2.256 60.430 58.200 -0.043 0.000 0.934 17 S CB -0.943 62.238 63.200 -0.032 0.000 0.766 17 S HN 0.138 8.375 8.310 -0.028 0.057 0.533 18 A N -0.064 122.698 122.820 -0.097 0.000 2.081 18 A HA -0.045 4.157 4.320 -0.196 0.000 0.214 18 A C -0.746 176.750 177.584 -0.147 0.000 1.158 18 A CA 0.764 52.699 52.037 -0.170 0.000 0.724 18 A CB 0.865 19.732 19.000 -0.221 0.000 0.826 18 A HN -0.642 7.394 8.150 -0.076 0.068 0.463 19 D N -2.153 118.191 120.400 -0.092 0.000 2.726 19 D HA 0.309 4.906 4.640 -0.072 0.000 0.203 19 D C -2.473 173.801 176.300 -0.043 0.000 1.297 19 D CA -0.670 53.288 54.000 -0.069 0.000 0.863 19 D CB 2.261 43.021 40.800 -0.066 0.000 1.669 19 D HN -0.822 7.474 8.370 -0.074 0.030 0.561 20 P HA 0.034 4.440 4.420 -0.024 0.000 0.226 20 P C 0.689 177.977 177.300 -0.021 0.000 1.153 20 P CA 1.358 64.442 63.100 -0.026 0.000 0.777 20 P CB 0.699 32.384 31.700 -0.025 0.000 0.794 21 E N -1.431 118.756 120.200 -0.021 0.000 2.158 21 E HA -0.178 4.164 4.350 -0.013 0.000 0.191 21 E C 1.994 178.588 176.600 -0.011 0.000 0.982 21 E CA 2.857 59.248 56.400 -0.015 0.000 0.823 21 E CB -0.605 29.086 29.700 -0.015 0.000 0.766 21 E HN 0.295 8.586 8.360 -0.027 0.053 0.468 22 L N -1.438 119.777 121.223 -0.013 0.000 2.270 22 L HA -0.038 4.300 4.340 -0.003 0.000 0.210 22 L C 1.765 178.631 176.870 -0.006 0.000 1.104 22 L CA 1.715 56.551 54.840 -0.006 0.000 0.804 22 L CB -0.839 41.217 42.059 -0.005 0.000 0.937 22 L HN -0.624 7.479 8.230 -0.019 0.116 0.450 23 A N 0.330 123.144 122.820 -0.011 0.000 1.929 23 A HA -0.188 4.128 4.320 -0.006 0.000 0.216 23 A C 2.409 179.989 177.584 -0.007 0.000 1.176 23 A CA 3.198 55.230 52.037 -0.009 0.000 0.628 23 A CB -0.516 18.477 19.000 -0.013 0.000 0.816 23 A HN -0.392 7.664 8.150 -0.015 0.085 0.444 24 L N -2.833 118.385 121.223 -0.009 0.000 2.179 24 L HA -0.117 4.218 4.340 -0.008 0.000 0.208 24 L C 1.999 178.865 176.870 -0.006 0.000 1.096 24 L CA 1.932 56.767 54.840 -0.008 0.000 0.779 24 L CB -1.010 41.043 42.059 -0.010 0.000 0.922 24 L HN -0.300 7.924 8.230 -0.011 0.000 0.443 25 A N -0.395 122.422 122.820 -0.005 0.000 1.930 25 A HA -0.253 4.065 4.320 -0.003 0.000 0.217 25 A C 1.891 179.475 177.584 -0.001 0.000 1.175 25 A CA 3.090 55.126 52.037 -0.003 0.000 0.627 25 A CB -0.622 18.377 19.000 -0.002 0.000 0.815 25 A HN -0.363 7.783 8.150 -0.006 0.000 0.443 26 L N -2.871 118.352 121.223 -0.000 0.000 2.313 26 L HA -0.117 4.225 4.340 0.003 0.000 0.214 26 L C 2.076 178.947 176.870 0.001 0.000 1.119 26 L CA 2.207 57.048 54.840 0.002 0.000 0.809 26 L CB -0.871 41.190 42.059 0.003 0.000 0.933 26 L HN -0.316 7.901 8.230 -0.001 0.013 0.449 27 R N -1.291 119.209 120.500 -0.001 0.000 2.161 27 R HA -0.205 4.135 4.340 -0.000 0.000 0.213 27 R C 2.522 178.821 176.300 -0.002 0.000 1.055 27 R CA 3.214 59.313 56.100 -0.002 0.000 0.996 27 R CB 0.162 30.460 30.300 -0.004 0.000 0.901 27 R HN -0.655 7.473 8.270 -0.002 0.141 0.456 28 V N 0.898 120.811 119.914 -0.003 0.000 2.379 28 V HA -0.354 3.764 4.120 -0.004 0.000 0.243 28 V C 1.485 177.578 176.094 -0.001 0.000 1.035 28 V CA 4.071 66.370 62.300 -0.003 0.000 1.035 28 V CB 0.143 31.963 31.823 -0.004 0.000 0.673 28 V HN -0.225 7.963 8.190 -0.003 0.000 0.457 29 S N 0.457 116.157 115.700 -0.000 0.000 2.368 29 S HA -0.320 4.151 4.470 0.000 0.000 0.224 29 S C 1.938 176.539 174.600 0.002 0.000 1.029 29 S CA 4.104 62.305 58.200 0.001 0.000 0.988 29 S CB -0.109 63.092 63.200 0.002 0.000 0.838 29 S HN -0.428 7.881 8.310 -0.001 0.000 0.462 30 M N 1.519 121.120 119.600 0.002 0.000 2.086 30 M HA -0.309 4.174 4.480 0.004 0.000 0.261 30 M C 1.412 177.714 176.300 0.002 0.000 1.067 30 M CA 3.533 58.835 55.300 0.003 0.000 1.116 30 M CB 0.023 32.625 32.600 0.003 0.000 1.348 30 M HN -0.659 7.632 8.290 0.002 0.000 0.407 31 E N -0.971 119.229 120.200 0.001 0.000 2.077 31 E HA -0.378 3.973 4.350 0.001 0.000 0.193 31 E C 2.375 178.976 176.600 0.001 0.000 0.989 31 E CA 3.264 59.665 56.400 0.000 0.000 0.800 31 E CB -0.545 29.154 29.700 -0.001 0.000 0.746 31 E HN -0.589 7.771 8.360 0.000 0.000 0.452 32 E N -1.018 119.183 120.200 0.000 0.000 2.031 32 E HA -0.386 3.964 4.350 -0.000 0.000 0.193 32 E C 2.490 179.091 176.600 0.001 0.000 0.994 32 E CA 3.418 59.819 56.400 0.000 0.000 0.800 32 E CB -0.176 29.524 29.700 -0.000 0.000 0.752 32 E HN -0.256 8.104 8.360 -0.000 0.000 0.447 33 Q N -1.401 118.400 119.800 0.002 0.000 2.170 33 Q HA -0.295 4.046 4.340 0.002 0.000 0.203 33 Q C 2.498 178.500 176.000 0.003 0.000 0.976 33 Q CA 3.025 58.830 55.803 0.003 0.000 0.858 33 Q CB 0.015 28.755 28.738 0.003 0.000 0.907 33 Q HN -0.175 8.096 8.270 0.002 0.000 0.433 34 R N 0.273 120.775 120.500 0.003 0.000 2.075 34 R HA -0.342 4.001 4.340 0.004 0.000 0.232 34 R C 2.405 178.707 176.300 0.004 0.000 1.126 34 R CA 3.244 59.346 56.100 0.004 0.000 0.963 34 R CB -0.389 29.913 30.300 0.004 0.000 0.858 34 R HN -0.135 8.020 8.270 0.003 0.117 0.435 35 Q N -1.380 118.422 119.800 0.003 0.000 2.124 35 Q HA -0.352 3.990 4.340 0.004 0.000 0.202 35 Q C 2.815 178.817 176.000 0.003 0.000 0.977 35 Q CA 3.326 59.131 55.803 0.003 0.000 0.850 35 Q CB -0.258 28.481 28.738 0.002 0.000 0.901 35 Q HN -0.303 7.969 8.270 0.003 0.000 0.429 36 R N -1.107 119.394 120.500 0.003 0.000 2.075 36 R HA -0.200 4.142 4.340 0.003 0.000 0.226 36 R C 2.581 178.883 176.300 0.004 0.000 1.114 36 R CA 3.117 59.219 56.100 0.003 0.000 0.972 36 R CB -0.095 30.207 30.300 0.003 0.000 0.869 36 R HN -0.543 7.635 8.270 0.003 0.094 0.437 37 Q N -1.522 118.280 119.800 0.004 0.000 2.224 37 Q HA -0.203 4.139 4.340 0.004 0.000 0.203 37 Q C 2.573 178.575 176.000 0.005 0.000 0.970 37 Q CA 2.753 58.559 55.803 0.004 0.000 0.865 37 Q CB -0.173 28.568 28.738 0.005 0.000 0.922 37 Q HN 0.259 8.420 8.270 0.004 0.112 0.445 38 E N 0.484 120.687 120.200 0.005 0.000 2.030 38 E HA -0.208 4.146 4.350 0.006 0.000 0.189 38 E C 1.567 178.170 176.600 0.006 0.000 0.974 38 E CA 2.855 59.259 56.400 0.006 0.000 0.807 38 E CB 0.136 29.840 29.700 0.006 0.000 0.771 38 E HN 0.263 8.501 8.360 0.005 0.124 0.451 39 E N -0.531 119.672 120.200 0.005 0.000 2.171 39 E HA -0.367 3.986 4.350 0.005 0.000 0.197 39 E C 2.613 179.216 176.600 0.004 0.000 0.997 39 E CA 3.214 59.617 56.400 0.005 0.000 0.810 39 E CB -0.067 29.636 29.700 0.004 0.000 0.738 39 E HN -0.190 8.065 8.360 0.005 0.108 0.467 40 E N -1.449 118.754 120.200 0.004 0.000 2.170 40 E HA -0.150 4.202 4.350 0.004 0.000 0.191 40 E C 1.495 178.098 176.600 0.004 0.000 0.981 40 E CA 1.979 58.381 56.400 0.004 0.000 0.830 40 E CB -0.250 29.452 29.700 0.004 0.000 0.775 40 E HN -0.376 7.965 8.360 0.004 0.021 0.470 41 A N -0.007 122.816 122.820 0.005 0.000 1.858 41 A HA -0.238 4.085 4.320 0.005 0.000 0.216 41 A C 2.165 179.752 177.584 0.005 0.000 1.190 41 A CA 3.212 55.252 52.037 0.005 0.000 0.617 41 A CB -0.618 18.386 19.000 0.005 0.000 0.827 41 A HN -0.313 7.637 8.150 0.005 0.203 0.443 42 R N -2.921 117.582 120.500 0.005 0.000 2.120 42 R HA -0.344 4.000 4.340 0.006 0.000 0.234 42 R C 1.942 178.245 176.300 0.005 0.000 1.123 42 R CA 2.864 58.967 56.100 0.006 0.000 0.975 42 R CB -0.558 29.746 30.300 0.006 0.000 0.866 42 R HN 0.398 8.671 8.270 0.006 0.000 0.446 43 R N -0.063 120.440 120.500 0.005 0.000 2.103 43 R HA -0.330 4.013 4.340 0.004 0.000 0.242 43 R C 2.087 178.390 176.300 0.004 0.000 1.142 43 R CA 2.904 59.007 56.100 0.004 0.000 0.960 43 R CB -0.711 29.591 30.300 0.004 0.000 0.858 43 R HN -0.538 7.633 8.270 0.005 0.101 0.439 44 A N -2.621 120.202 122.820 0.004 0.000 2.016 44 A HA 0.034 4.356 4.320 0.003 0.000 0.217 44 A C 1.764 179.350 177.584 0.004 0.000 1.162 44 A CA 2.370 54.409 52.037 0.004 0.000 0.662 44 A CB -0.849 18.154 19.000 0.004 0.000 0.812 44 A HN -0.546 7.602 8.150 0.004 0.005 0.450 45 A N -1.600 121.223 122.820 0.004 0.000 2.019 45 A HA -0.251 4.071 4.320 0.004 0.000 0.219 45 A C 1.850 179.436 177.584 0.004 0.000 1.164 45 A CA 2.727 54.767 52.037 0.004 0.000 0.644 45 A CB -0.701 18.302 19.000 0.005 0.000 0.805 45 A HN -0.166 7.853 8.150 0.004 0.133 0.449 46 A N -2.514 120.308 122.820 0.004 0.000 1.911 46 A HA -0.096 4.226 4.320 0.004 0.000 0.212 46 A C 1.660 179.246 177.584 0.003 0.000 1.189 46 A CA 2.349 54.389 52.037 0.004 0.000 0.639 46 A CB -0.381 18.622 19.000 0.004 0.000 0.839 46 A HN -0.043 8.085 8.150 0.004 0.024 0.449 47 A N -1.952 120.870 122.820 0.003 0.000 1.969 47 A HA -0.250 4.071 4.320 0.003 0.000 0.218 47 A C 1.993 179.579 177.584 0.003 0.000 1.169 47 A CA 2.764 54.802 52.037 0.003 0.000 0.635 47 A CB -0.671 18.331 19.000 0.003 0.000 0.810 47 A HN -0.369 7.783 8.150 0.003 0.000 0.445 48 S N -1.692 114.010 115.700 0.003 0.000 2.414 48 S HA -0.223 4.249 4.470 0.003 0.000 0.227 48 S C 1.422 176.023 174.600 0.003 0.000 1.022 48 S CA 2.252 60.453 58.200 0.003 0.000 0.958 48 S CB 0.126 63.328 63.200 0.003 0.000 0.797 48 S HN -0.146 8.149 8.310 0.003 0.017 0.493 49 A N 0.145 122.967 122.820 0.003 0.000 2.015 49 A HA -0.258 4.064 4.320 0.003 0.000 0.219 49 A C 1.182 178.767 177.584 0.003 0.000 1.163 49 A CA 2.392 54.431 52.037 0.003 0.000 0.646 49 A CB -0.261 18.741 19.000 0.003 0.000 0.806 49 A HN -0.704 7.365 8.150 0.003 0.083 0.448 50 A N -3.485 119.337 122.820 0.003 0.000 2.016 50 A HA -0.163 4.158 4.320 0.002 0.000 0.217 50 A C 0.073 177.658 177.584 0.002 0.000 1.162 50 A CA 1.467 53.505 52.037 0.002 0.000 0.662 50 A CB -0.021 18.980 19.000 0.002 0.000 0.812 50 A HN -0.520 7.609 8.150 0.003 0.023 0.450 51 E N -0.840 119.361 120.200 0.002 0.000 1.858 51 E HA -0.159 4.192 4.350 0.002 0.000 0.267 51 E C -0.639 175.963 176.600 0.002 0.000 1.215 51 E CA -0.383 56.018 56.400 0.002 0.000 0.952 51 E CB -0.888 28.813 29.700 0.002 0.000 1.058 51 E HN -0.704 7.522 8.360 0.002 0.135 0.407 52 A N 3.128 125.949 122.820 0.002 0.000 2.798 52 A HA -0.252 4.069 4.320 0.002 0.000 0.282 52 A C -0.950 176.635 177.584 0.002 0.000 1.464 52 A CA 0.950 52.988 52.037 0.002 0.000 0.844 52 A CB -1.246 17.755 19.000 0.002 0.000 1.006 52 A HN 0.244 8.395 8.150 0.002 0.000 0.577 53 G N -3.380 105.421 108.800 0.002 0.000 2.641 53 G HA2 0.242 4.203 3.960 0.002 0.000 0.207 53 G HA3 0.242 4.329 3.960 0.002 -0.126 0.207 53 G C 0.296 175.197 174.900 0.002 0.000 1.137 53 G CA 0.393 45.494 45.100 0.002 0.000 0.824 53 G HN -0.252 8.003 8.290 0.002 0.036 0.547 54 I N -3.285 117.286 120.570 0.002 0.000 3.731 54 I HA 0.299 4.470 4.170 0.002 0.000 0.341 54 I C -0.660 175.458 176.117 0.002 0.000 1.532 54 I CA -1.212 60.089 61.300 0.002 0.000 1.163 54 I CB -0.137 37.864 38.000 0.002 0.000 1.339 54 I HN -0.588 7.623 8.210 0.002 0.000 0.449 55 A N 2.115 124.936 122.820 0.002 0.000 1.911 55 A HA -0.083 4.238 4.320 0.001 0.000 0.212 55 A C 1.088 178.673 177.584 0.001 0.000 1.189 55 A CA 1.554 53.591 52.037 0.001 0.000 0.639 55 A CB -0.015 18.986 19.000 0.001 0.000 0.839 55 A HN 0.041 8.117 8.150 0.002 0.075 0.449 56 T N -4.239 110.316 114.554 0.001 0.000 3.591 56 T HA 0.043 4.393 4.350 0.001 0.000 0.232 56 T C -0.474 174.227 174.700 0.001 0.000 1.116 56 T CA 0.014 62.115 62.100 0.001 0.000 1.063 56 T CB -1.890 66.979 68.868 0.001 0.000 1.227 56 T HN -0.145 8.096 8.240 0.001 0.000 0.685 57 T N 1.658 116.212 114.554 0.001 0.000 2.977 57 T HA 0.065 4.416 4.350 0.001 0.000 0.345 57 T C -1.731 172.970 174.700 0.001 0.000 1.562 57 T CA -0.176 61.925 62.100 0.001 0.000 1.090 57 T CB 0.827 69.695 68.868 0.001 0.000 1.383 57 T HN -0.580 7.587 8.240 0.001 0.073 0.484 58 G N 3.701 112.502 108.800 0.001 0.000 5.569 58 G HA2 0.133 4.093 3.960 0.001 0.000 0.192 58 G HA3 0.133 4.093 3.960 0.001 0.000 0.192 58 G C -0.334 174.566 174.900 0.001 0.000 0.708 58 G CA 0.204 45.304 45.100 0.001 0.000 0.628 58 G HN 0.090 8.381 8.290 0.001 0.000 0.345 59 T N -0.591 113.963 114.554 0.001 0.000 3.410 59 T HA 0.256 4.607 4.350 0.000 0.000 0.328 59 T C 0.272 174.973 174.700 0.000 0.000 1.567 59 T CA -0.721 61.379 62.100 0.000 0.000 1.626 59 T CB 0.545 69.413 68.868 0.000 0.000 0.939 59 T HN -0.150 8.090 8.240 0.001 0.000 0.656 60 E N 5.634 125.834 120.200 0.000 0.000 2.261 60 E HA 0.043 4.393 4.350 0.001 0.000 0.308 60 E C -1.025 175.574 176.600 -0.000 0.000 1.400 60 E CA -0.102 56.298 56.400 0.000 0.000 1.542 60 E CB -0.982 28.719 29.700 0.001 0.000 1.369 60 E HN 0.295 8.656 8.360 0.000 0.000 0.493 61 D N 0.864 121.264 120.400 -0.000 0.000 2.117 61 D HA -0.107 4.533 4.640 -0.001 0.000 0.197 61 D C 0.944 177.243 176.300 -0.001 0.000 0.987 61 D CA 2.507 56.506 54.000 -0.001 0.000 0.829 61 D CB 0.317 41.116 40.800 -0.001 0.000 0.961 61 D HN -0.314 7.990 8.370 -0.000 0.066 0.460 62 S N -0.049 115.651 115.700 -0.001 0.000 3.940 62 S HA 0.144 4.613 4.470 -0.002 0.000 0.210 62 S C -0.414 174.185 174.600 -0.001 0.000 1.419 62 S CA -0.724 57.475 58.200 -0.002 0.000 0.912 62 S CB -0.521 62.677 63.200 -0.002 0.000 1.489 62 S HN 0.035 8.345 8.310 -0.001 0.000 0.469 63 D N 4.023 124.422 120.400 -0.001 0.000 2.106 63 D HA -0.165 4.475 4.640 0.001 0.000 0.203 63 D C 1.014 177.314 176.300 0.000 0.000 0.977 63 D CA 2.678 56.678 54.000 0.000 0.000 0.844 63 D CB 0.656 41.456 40.800 0.000 0.000 1.002 63 D HN -0.410 7.917 8.370 -0.001 0.043 0.461 64 D N -0.696 119.703 120.400 -0.000 0.000 2.224 64 D HA -0.129 4.512 4.640 0.001 0.000 0.205 64 D C 1.246 177.546 176.300 -0.001 0.000 0.965 64 D CA 2.971 56.971 54.000 -0.000 0.000 0.852 64 D CB -0.264 40.535 40.800 -0.001 0.000 0.947 64 D HN 0.339 8.708 8.370 -0.001 0.000 0.494 65 A N 0.609 123.428 122.820 -0.003 0.000 1.902 65 A HA -0.181 4.135 4.320 -0.006 0.000 0.217 65 A C 2.024 179.607 177.584 -0.002 0.000 1.181 65 A CA 2.848 54.882 52.037 -0.004 0.000 0.623 65 A CB -0.494 18.503 19.000 -0.005 0.000 0.818 65 A HN 0.071 8.198 8.150 -0.002 0.022 0.443 66 L N -2.042 119.181 121.223 -0.000 0.000 2.201 66 L HA -0.179 4.162 4.340 0.002 0.000 0.212 66 L C 2.339 179.211 176.870 0.004 0.000 1.105 66 L CA 2.413 57.254 54.840 0.002 0.000 0.775 66 L CB -1.407 40.654 42.059 0.002 0.000 0.913 66 L HN -0.544 7.686 8.230 -0.000 0.000 0.440 67 L N -0.555 120.670 121.223 0.004 0.000 2.095 67 L HA -0.364 3.980 4.340 0.007 0.000 0.204 67 L C 2.009 178.883 176.870 0.007 0.000 1.080 67 L CA 3.530 58.374 54.840 0.006 0.000 0.759 67 L CB -0.180 41.882 42.059 0.005 0.000 0.914 67 L HN -0.578 7.516 8.230 0.002 0.137 0.439 68 K N -1.197 119.205 120.400 0.003 0.000 2.044 68 K HA -0.227 4.096 4.320 0.006 0.000 0.204 68 K C 2.411 179.011 176.600 0.000 0.000 1.045 68 K CA 2.370 58.658 56.287 0.001 0.000 0.951 68 K CB -0.234 32.263 32.500 -0.005 0.000 0.738 68 K HN 0.356 8.499 8.250 0.001 0.108 0.443 69 M N -0.892 118.706 119.600 -0.004 0.000 2.144 69 M HA -0.241 4.231 4.480 -0.013 0.000 0.260 69 M C 2.232 178.536 176.300 0.007 0.000 1.067 69 M CA 3.700 58.997 55.300 -0.004 0.000 1.095 69 M CB -0.683 31.914 32.600 -0.005 0.000 1.365 69 M HN 0.492 8.673 8.290 -0.005 0.106 0.406 70 T N 0.592 115.152 114.554 0.010 0.000 2.777 70 T HA -0.221 4.139 4.350 0.017 0.000 0.266 70 T C 1.762 176.478 174.700 0.026 0.000 1.040 70 T CA 4.867 66.977 62.100 0.017 0.000 1.141 70 T CB -0.239 68.638 68.868 0.014 0.000 0.868 70 T HN -0.576 7.659 8.240 0.007 0.009 0.444 71 I N 0.051 120.636 120.570 0.026 0.000 3.059 71 I HA -0.129 4.064 4.170 0.039 0.000 0.270 71 I C 0.735 176.885 176.117 0.055 0.000 1.238 71 I CA 0.086 61.408 61.300 0.037 0.000 1.478 71 I CB 0.032 38.051 38.000 0.031 0.000 1.097 71 I HN -0.761 7.384 8.210 0.019 0.076 0.455 72 S N 1.580 117.304 115.700 0.040 0.000 2.406 72 S HA -0.266 4.239 4.470 0.058 0.000 0.228 72 S C 2.334 176.988 174.600 0.091 0.000 1.020 72 S CA 3.321 61.545 58.200 0.041 0.000 0.965 72 S CB -0.217 62.971 63.200 -0.019 0.000 0.798 72 S HN 0.445 8.533 8.310 0.024 0.237 0.488 73 Q N -0.053 119.791 119.800 0.073 0.000 2.302 73 Q HA -0.120 4.297 4.340 0.129 0.000 0.202 73 Q C 0.992 177.054 176.000 0.103 0.000 0.936 73 Q CA 2.289 58.149 55.803 0.095 0.000 0.886 73 Q CB 0.325 29.096 28.738 0.055 0.000 0.986 73 Q HN -0.691 7.608 8.270 0.048 0.000 0.487 74 Q N -1.913 117.935 119.800 0.080 0.000 2.134 74 Q HA -0.105 4.267 4.340 0.053 0.000 0.195 74 Q C 2.540 178.583 176.000 0.072 0.000 0.958 74 Q CA 2.193 58.033 55.803 0.062 0.000 0.840 74 Q CB 0.472 29.236 28.738 0.044 0.000 0.918 74 Q HN -0.744 7.568 8.270 0.069 0.000 0.467 75 E N -0.741 119.514 120.200 0.093 0.000 2.152 75 E HA -0.189 4.197 4.350 0.060 0.000 0.192 75 E C 1.543 178.221 176.600 0.131 0.000 0.983 75 E CA 1.907 58.364 56.400 0.096 0.000 0.818 75 E CB 0.190 29.953 29.700 0.105 0.000 0.758 75 E HN -0.131 8.162 8.360 0.093 0.123 0.467 76 F N 0.091 120.049 119.950 0.012 0.000 2.954 76 F HA 0.158 4.695 4.527 0.017 0.000 0.300 76 F C -0.411 175.397 175.800 0.013 0.000 1.206 76 F CA -0.795 57.213 58.000 0.013 0.000 1.345 76 F CB -0.879 38.127 39.000 0.010 0.000 1.206 76 F HN -0.689 7.784 8.300 0.288 0.000 0.537 77 G N -0.755 108.024 108.800 -0.034 0.000 2.768 77 G HA2 0.193 4.149 3.960 -0.008 0.000 0.201 77 G HA3 0.193 4.156 3.960 0.004 0.000 0.201 77 G C -0.539 174.300 174.900 -0.101 0.000 1.089 77 G CA 0.051 45.129 45.100 -0.036 0.000 0.787 77 G HN -0.670 7.518 8.290 -0.022 0.089 0.547 78 R N 1.468 121.902 120.500 -0.110 0.000 2.288 78 R HA 0.265 4.553 4.340 -0.087 0.000 0.326 78 R C -0.665 175.551 176.300 -0.140 0.000 0.959 78 R CA -0.166 55.875 56.100 -0.099 0.000 0.834 78 R CB 0.626 30.894 30.300 -0.054 0.000 1.157 78 R HN -0.297 7.917 8.270 -0.093 0.000 0.470 79 T N 2.951 117.415 114.554 -0.151 0.000 3.769 79 T HA 0.248 4.546 4.350 -0.087 0.000 0.317 79 T C -0.040 174.617 174.700 -0.071 0.000 0.931 79 T CA 0.211 62.228 62.100 -0.139 0.000 1.005 79 T CB 0.910 69.594 68.868 -0.306 0.000 1.202 79 T HN 0.261 8.421 8.240 -0.132 0.000 0.501 80 G N 1.768 110.538 108.800 -0.049 0.000 3.518 80 G HA2 0.345 4.294 3.960 -0.018 0.000 0.273 80 G HA3 0.345 4.291 3.960 -0.024 0.000 0.273 80 G C -1.007 173.895 174.900 0.004 0.000 1.199 80 G CA -0.214 44.874 45.100 -0.021 0.000 0.899 80 G HN 0.011 8.268 8.290 -0.055 0.000 0.533 81 L N -5.735 115.499 121.223 0.019 0.000 2.731 81 L HA 0.424 4.784 4.340 0.035 0.000 0.256 81 L C -2.573 174.311 176.870 0.022 0.000 0.947 81 L CA -1.937 52.916 54.840 0.022 0.000 0.914 81 L CB 0.612 42.667 42.059 -0.006 0.000 1.470 81 L HN -0.806 7.341 8.230 0.021 0.096 0.421 82 P HA 0.128 4.412 4.420 -0.226 0.000 0.231 82 P C -1.425 175.769 177.300 -0.178 0.000 1.756 82 P CA -0.399 62.580 63.100 -0.202 0.000 0.990 82 P CB -1.600 29.905 31.700 -0.325 0.000 1.973 83 D N 1.479 121.821 120.400 -0.096 0.000 2.441 83 D HA -0.018 4.578 4.640 -0.074 0.000 0.243 83 D C 0.666 176.913 176.300 -0.090 0.000 1.257 83 D CA -0.753 53.201 54.000 -0.077 0.000 1.027 83 D CB -0.046 40.728 40.800 -0.044 0.000 1.084 83 D HN 0.319 8.585 8.370 -0.054 0.072 0.514 84 L N 4.831 125.986 121.223 -0.114 0.000 2.191 84 L HA -0.207 4.064 4.340 -0.114 0.000 0.212 84 L C 1.590 178.426 176.870 -0.057 0.000 1.103 84 L CA 2.575 57.354 54.840 -0.101 0.000 0.769 84 L CB -0.477 41.517 42.059 -0.107 0.000 0.908 84 L HN -0.236 7.921 8.230 -0.123 0.000 0.438 85 S N -3.248 112.423 115.700 -0.048 0.000 2.453 85 S HA -0.164 4.290 4.470 -0.027 0.000 0.231 85 S C 0.553 175.139 174.600 -0.022 0.000 1.005 85 S CA 2.190 60.371 58.200 -0.031 0.000 0.949 85 S CB -0.117 63.066 63.200 -0.028 0.000 0.774 85 S HN 0.190 8.441 8.310 -0.054 0.026 0.510 86 S N -0.683 115.003 115.700 -0.024 0.000 2.554 86 S HA 0.128 4.594 4.470 -0.008 0.000 0.226 86 S C -1.335 173.263 174.600 -0.004 0.000 0.980 86 S CA 0.344 58.536 58.200 -0.012 0.000 0.939 86 S CB 1.018 64.208 63.200 -0.016 0.000 0.832 86 S HN -0.439 7.688 8.310 -0.034 0.163 0.486 87 M N 1.709 121.304 119.600 -0.008 0.000 2.149 87 M HA 0.071 4.567 4.480 0.026 0.000 0.342 87 M C -0.310 175.998 176.300 0.014 0.000 1.068 87 M CA -0.229 55.078 55.300 0.011 0.000 0.991 87 M CB 1.614 34.214 32.600 0.000 0.000 1.596 87 M HN -0.745 7.347 8.290 -0.021 0.186 0.439 88 T N 2.211 116.781 114.554 0.026 0.000 2.801 88 T HA 0.015 4.374 4.350 0.015 0.000 0.324 88 T C 0.961 175.676 174.700 0.025 0.000 1.088 88 T CA -1.469 60.645 62.100 0.023 0.000 0.975 88 T CB 1.127 70.012 68.868 0.028 0.000 1.316 88 T HN 0.091 8.352 8.240 0.035 0.000 0.533 89 E N -1.889 118.325 120.200 0.023 0.000 2.150 89 E HA -0.312 4.050 4.350 0.020 0.000 0.193 89 E C 1.732 178.352 176.600 0.033 0.000 0.985 89 E CA 3.183 59.597 56.400 0.023 0.000 0.814 89 E CB -0.681 29.030 29.700 0.018 0.000 0.752 89 E HN 0.500 8.872 8.360 0.020 0.000 0.466 90 E N -0.279 119.944 120.200 0.037 0.000 2.102 90 E HA -0.192 4.182 4.350 0.041 0.000 0.190 90 E C 1.973 178.611 176.600 0.063 0.000 0.971 90 E CA 3.013 59.441 56.400 0.045 0.000 0.821 90 E CB -0.210 29.515 29.700 0.042 0.000 0.777 90 E HN -0.638 7.723 8.360 0.035 0.019 0.460 91 E N 0.392 120.633 120.200 0.068 0.000 2.077 91 E HA -0.336 4.077 4.350 0.106 0.000 0.193 91 E C 2.591 179.259 176.600 0.114 0.000 0.989 91 E CA 3.266 59.721 56.400 0.092 0.000 0.800 91 E CB -0.112 29.633 29.700 0.075 0.000 0.746 91 E HN -0.464 7.930 8.360 0.057 0.000 0.452 92 Q N -1.976 117.872 119.800 0.080 0.000 2.119 92 Q HA -0.239 4.156 4.340 0.092 0.000 0.201 92 Q C 2.309 178.373 176.000 0.106 0.000 0.972 92 Q CA 2.841 58.693 55.803 0.081 0.000 0.847 92 Q CB 0.207 28.963 28.738 0.030 0.000 0.903 92 Q HN 0.190 8.376 8.270 0.057 0.118 0.433 93 I N 0.418 121.034 120.570 0.078 0.000 2.286 93 I HA -0.485 3.721 4.170 0.060 0.000 0.248 93 I C 1.367 177.531 176.117 0.078 0.000 1.115 93 I CA 3.241 64.581 61.300 0.067 0.000 1.392 93 I CB -0.134 37.894 38.000 0.047 0.000 1.065 93 I HN -0.416 7.633 8.210 0.065 0.199 0.418 94 A N -0.362 122.509 122.820 0.087 0.000 1.972 94 A HA -0.287 4.056 4.320 0.038 0.000 0.219 94 A C 1.834 179.450 177.584 0.052 0.000 1.169 94 A CA 3.310 55.385 52.037 0.062 0.000 0.635 94 A CB -1.023 18.021 19.000 0.073 0.000 0.810 94 A HN 0.267 8.275 8.150 0.091 0.197 0.446 95 Y N -0.604 119.704 120.300 0.014 0.000 2.201 95 Y HA -0.082 4.676 4.550 0.008 -0.202 0.292 95 Y C 2.022 177.925 175.900 0.005 0.000 1.119 95 Y CA 2.680 60.784 58.100 0.007 0.000 1.127 95 Y CB 0.337 38.798 38.460 0.002 0.000 1.019 95 Y HN -0.962 7.341 8.280 0.252 0.128 0.514 96 A N -1.332 121.624 122.820 0.227 0.000 1.972 96 A HA -0.337 4.069 4.320 0.143 0.000 0.219 96 A C 1.857 179.485 177.584 0.074 0.000 1.169 96 A CA 2.931 55.045 52.037 0.129 0.000 0.635 96 A CB -0.622 18.428 19.000 0.084 0.000 0.810 96 A HN 0.442 8.726 8.150 0.223 0.000 0.446 97 M N -2.554 117.080 119.600 0.057 0.000 2.447 97 M HA -0.247 4.248 4.480 0.025 0.000 0.264 97 M C 1.556 177.861 176.300 0.009 0.000 1.095 97 M CA 3.041 58.357 55.300 0.028 0.000 1.125 97 M CB 0.152 32.767 32.600 0.025 0.000 1.389 97 M HN 0.294 8.499 8.290 0.072 0.127 0.459 98 Q N -1.343 118.452 119.800 -0.008 0.000 2.230 98 Q HA -0.325 3.990 4.340 -0.042 0.000 0.202 98 Q C 1.446 177.427 176.000 -0.033 0.000 0.963 98 Q CA 2.689 58.462 55.803 -0.050 0.000 0.866 98 Q CB -0.131 28.521 28.738 -0.145 0.000 0.931 98 Q HN -0.626 7.496 8.270 0.006 0.151 0.452 99 M N -3.760 115.840 119.600 -0.001 0.000 2.435 99 M HA -0.009 4.629 4.480 0.002 -0.157 0.265 99 M C 2.415 178.723 176.300 0.013 0.000 1.104 99 M CA 1.921 57.230 55.300 0.014 0.000 1.140 99 M CB 0.709 33.340 32.600 0.051 0.000 1.372 99 M HN -0.679 7.604 8.290 0.021 0.020 0.456 100 S N 1.312 117.021 115.700 0.015 0.000 2.406 100 S HA -0.126 4.349 4.470 0.008 0.000 0.228 100 S C 1.450 176.054 174.600 0.006 0.000 1.020 100 S CA 2.980 61.186 58.200 0.010 0.000 0.965 100 S CB 0.088 63.296 63.200 0.013 0.000 0.798 100 S HN -0.578 7.745 8.310 0.020 0.000 0.488 101 L N -0.381 120.844 121.223 0.003 0.000 2.629 101 L HA 0.005 4.348 4.340 0.004 0.000 0.230 101 L C 0.214 177.084 176.870 0.000 0.000 1.151 101 L CA 0.510 55.351 54.840 0.002 0.000 0.924 101 L CB -0.138 41.920 42.059 -0.001 0.000 1.137 101 L HN -0.494 7.720 8.230 0.002 0.017 0.457 102 Q N 0.037 119.837 119.800 0.001 0.000 2.245 102 Q HA -0.099 4.239 4.340 -0.004 0.000 0.201 102 Q C 0.754 176.758 176.000 0.007 0.000 0.955 102 Q CA 1.103 56.907 55.803 0.001 0.000 0.870 102 Q CB 0.871 29.609 28.738 0.001 0.000 0.945 102 Q HN -0.477 7.600 8.270 0.002 0.194 0.461 103 G N -1.825 106.981 108.800 0.011 0.000 2.247 103 G HA2 -0.244 3.728 3.960 0.019 0.000 0.111 103 G HA3 -0.244 3.728 3.960 0.020 0.000 0.111 103 G C -1.075 173.840 174.900 0.026 0.000 1.045 103 G CA -0.516 44.595 45.100 0.019 0.000 0.715 103 G HN -0.359 7.911 8.290 0.009 0.025 0.485 104 A N 0.414 123.244 122.820 0.018 0.000 3.048 104 A HA 0.042 4.375 4.320 0.022 0.000 0.264 104 A C 0.300 177.893 177.584 0.016 0.000 1.796 104 A CA -0.171 51.875 52.037 0.014 0.000 1.445 104 A CB -1.071 17.927 19.000 -0.003 0.000 1.074 104 A HN 0.216 8.373 8.150 0.012 0.000 0.621 105 E N 0.436 120.669 120.200 0.055 0.000 2.112 105 E HA -0.159 4.227 4.350 0.060 0.000 0.190 105 E C 0.470 177.161 176.600 0.153 0.000 0.979 105 E CA 1.761 58.217 56.400 0.094 0.000 0.814 105 E CB 0.647 30.419 29.700 0.119 0.000 0.762 105 E HN 0.047 8.385 8.360 0.063 0.059 0.460 106 F N -1.892 118.061 119.950 0.004 0.000 2.675 106 F HA 0.161 4.691 4.527 0.004 0.000 0.390 106 F C -1.385 174.417 175.800 0.004 0.000 1.421 106 F CA -0.168 57.834 58.000 0.004 0.000 1.091 106 F CB 1.564 40.566 39.000 0.003 0.000 2.085 106 F HN -0.319 8.091 8.300 0.182 0.000 0.525 107 G N 0.585 109.439 108.800 0.090 0.000 2.690 107 G HA2 -0.082 3.942 3.960 0.107 0.000 0.294 107 G HA3 -0.082 3.903 3.960 0.042 0.000 0.294 107 G C -0.737 174.204 174.900 0.069 0.000 0.793 107 G CA 0.439 45.586 45.100 0.079 0.000 1.818 107 G HN -0.003 8.296 8.290 0.015 0.000 0.515 108 Q N 2.297 122.181 119.800 0.140 0.000 2.709 108 Q HA 0.133 4.510 4.340 0.062 0.000 0.232 108 Q C -1.347 174.724 176.000 0.118 0.000 0.856 108 Q CA 0.647 56.519 55.803 0.115 0.000 0.788 108 Q CB 1.890 30.713 28.738 0.142 0.000 1.386 108 Q HN -0.315 8.058 8.270 0.200 0.017 0.453 109 A N 3.737 126.601 122.820 0.072 0.000 3.076 109 A HA 0.070 4.424 4.320 0.057 0.000 0.192 109 A C -0.334 177.272 177.584 0.036 0.000 1.076 109 A CA 0.480 52.550 52.037 0.055 0.000 1.235 109 A CB 0.491 19.523 19.000 0.052 0.000 1.249 109 A HN 0.155 8.339 8.150 0.057 0.000 0.622 110 E N 0.562 120.781 120.200 0.032 0.000 3.582 110 E HA 0.222 4.585 4.350 0.021 0.000 0.217 110 E C -0.676 175.936 176.600 0.019 0.000 1.092 110 E CA 0.264 56.678 56.400 0.023 0.000 1.365 110 E CB 0.313 30.024 29.700 0.020 0.000 1.278 110 E HN -0.035 8.347 8.360 0.036 0.000 0.439 111 S N -0.502 115.210 115.700 0.020 0.000 2.937 111 S HA 0.114 4.592 4.470 0.014 0.000 0.252 111 S C -1.437 173.172 174.600 0.014 0.000 1.022 111 S CA 0.282 58.492 58.200 0.017 0.000 1.079 111 S CB 0.205 63.417 63.200 0.020 0.000 1.035 111 S HN -0.111 8.212 8.310 0.022 0.000 0.594 112 A N 0.000 122.828 122.820 0.013 0.000 2.254 112 A HA 0.000 4.325 4.320 0.009 0.000 0.244 112 A CA 0.000 52.043 52.037 0.010 0.000 0.836 112 A CB 0.000 19.006 19.000 0.011 0.000 0.831 112 A HN 0.000 8.159 8.150 0.014 0.000 0.486