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 2l31_1_A DATA FIRST_RESID 1 DATA SEQUENCE GSKAEKTLGD FAAEYAKSNR STCKGCMEKI EKGQVRLSKK MVDPEKPQLG DATA SEQUENCE MIDRWYHPGC FVKNREELGF RPEYSASQLK GFSLLATEDK EALKKQLPGV DATA SEQUENCE KSEGKRKGDE VD 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.952 3.960 -0.013 0.000 0.244 1 G C 0.000 174.892 174.900 -0.013 0.000 0.946 1 G CA 0.000 45.093 45.100 -0.011 0.000 0.502 2 S N 1.163 116.857 115.700 -0.011 0.000 2.572 2 S HA 0.064 4.528 4.470 -0.010 0.000 0.279 2 S C -0.263 174.328 174.600 -0.015 0.000 1.341 2 S CA -0.126 58.067 58.200 -0.011 0.000 1.043 2 S CB 0.924 64.119 63.200 -0.007 0.000 0.887 2 S HN -0.095 8.209 8.310 -0.009 0.000 0.516 3 K N 3.334 123.725 120.400 -0.016 0.000 2.295 3 K HA 0.031 4.335 4.320 -0.027 0.000 0.270 3 K C 0.002 176.591 176.600 -0.019 0.000 1.011 3 K CA -0.391 55.883 56.287 -0.021 0.000 0.953 3 K CB 0.429 32.917 32.500 -0.020 0.000 0.956 3 K HN -0.003 8.240 8.250 -0.013 0.000 0.477 4 A N 2.448 125.251 122.820 -0.027 0.000 2.371 4 A HA 0.166 4.477 4.320 -0.014 0.000 0.257 4 A C 0.248 177.822 177.584 -0.017 0.000 1.089 4 A CA -0.209 51.815 52.037 -0.023 0.000 0.794 4 A CB 0.777 19.755 19.000 -0.036 0.000 1.029 4 A HN 0.096 8.224 8.150 -0.037 0.000 0.488 5 E N 1.238 121.435 120.200 -0.004 0.000 2.485 5 E HA 0.038 4.391 4.350 0.004 0.000 0.213 5 E C 0.396 177.005 176.600 0.015 0.000 0.923 5 E CA 0.539 56.943 56.400 0.007 0.000 1.054 5 E CB 0.352 30.060 29.700 0.013 0.000 1.077 5 E HN 0.317 8.677 8.360 -0.000 0.000 0.509 6 K N -0.502 119.909 120.400 0.018 0.000 2.243 6 K HA -0.022 4.329 4.320 0.052 0.000 0.201 6 K C -1.139 175.475 176.600 0.024 0.000 1.051 6 K CA 1.483 57.794 56.287 0.038 0.000 0.970 6 K CB 0.683 33.215 32.500 0.054 0.000 0.755 6 K HN -0.110 8.147 8.250 0.012 0.000 0.465 7 T N -2.416 112.129 114.554 -0.015 0.000 2.900 7 T HA 0.206 4.602 4.350 -0.042 -0.071 0.295 7 T C -0.451 174.166 174.700 -0.137 0.000 1.044 7 T CA -0.942 61.119 62.100 -0.066 0.000 0.995 7 T CB 2.821 71.644 68.868 -0.074 0.000 1.072 7 T HN -0.814 7.413 8.240 -0.021 0.000 0.473 8 L N 0.570 121.634 121.223 -0.265 0.000 2.465 8 L HA 0.131 4.338 4.340 -0.221 0.000 0.224 8 L C 1.151 177.784 176.870 -0.395 0.000 1.145 8 L CA 0.808 55.422 54.840 -0.376 0.000 0.834 8 L CB 0.211 41.867 42.059 -0.672 0.000 0.944 8 L HN -0.057 7.995 8.230 -0.296 0.000 0.451 9 G N -1.643 106.938 108.800 -0.365 0.000 2.255 9 G HA2 -0.455 3.373 3.960 -0.219 0.000 0.239 9 G HA3 -0.455 3.365 3.960 -0.233 0.000 0.239 9 G C -1.509 173.174 174.900 -0.361 0.000 1.083 9 G CA 0.266 45.192 45.100 -0.290 0.000 0.826 9 G HN 0.260 8.285 8.290 -0.347 0.057 0.493 10 D N -3.118 116.972 120.400 -0.518 0.000 2.059 10 D HA 0.189 4.632 4.640 -0.327 0.000 0.398 10 D C -2.344 173.737 176.300 -0.365 0.000 1.003 10 D CA 0.766 54.455 54.000 -0.518 0.000 0.916 10 D CB 2.059 42.404 40.800 -0.759 0.000 1.647 10 D HN -0.049 7.971 8.370 -0.585 0.000 0.529 11 F N -5.039 114.782 119.950 -0.215 0.000 2.613 11 F HA 0.942 5.466 4.527 -0.164 -0.096 0.310 11 F C -2.486 173.247 175.800 -0.112 0.000 1.085 11 F CA -3.441 54.459 58.000 -0.166 0.000 0.945 11 F CB 3.025 41.928 39.000 -0.161 0.000 1.298 11 F HN -0.611 7.274 8.300 -0.692 0.000 0.455 12 A N -2.230 120.671 122.820 0.135 0.000 2.469 12 A HA 0.421 4.913 4.320 0.105 -0.109 0.299 12 A C -2.810 174.821 177.584 0.078 0.000 1.098 12 A CA -1.315 50.766 52.037 0.074 0.000 0.737 12 A CB 3.377 22.375 19.000 -0.005 0.000 1.312 12 A HN 0.872 8.965 8.150 0.084 0.108 0.414 13 A N -0.073 122.817 122.820 0.117 0.000 2.422 13 A HA 1.007 5.566 4.320 0.125 -0.164 0.302 13 A C -2.438 175.215 177.584 0.115 0.000 1.041 13 A CA -1.183 50.926 52.037 0.120 0.000 0.708 13 A CB 3.239 22.314 19.000 0.125 0.000 1.257 13 A HN 0.484 8.707 8.150 0.122 0.000 0.414 14 E N -0.451 119.823 120.200 0.124 0.000 2.437 14 E HA 0.399 4.684 4.350 -0.109 0.000 0.280 14 E C -2.480 174.167 176.600 0.077 0.000 1.044 14 E CA -1.845 54.572 56.400 0.027 0.000 0.826 14 E CB 2.873 32.622 29.700 0.082 0.000 1.358 14 E HN 0.330 8.797 8.360 0.178 0.000 0.459 15 Y N -0.372 119.935 120.300 0.010 0.000 2.411 15 Y HA -0.092 4.585 4.550 -0.011 -0.134 0.333 15 Y C 0.786 176.647 175.900 -0.064 0.000 1.186 15 Y CA -1.271 56.818 58.100 -0.019 0.000 1.381 15 Y CB 0.068 38.515 38.460 -0.021 0.000 1.273 15 Y HN 0.299 8.472 8.280 -0.177 0.000 0.546 16 A N 3.247 126.112 122.820 0.074 0.000 2.541 16 A HA -0.102 4.103 4.320 -0.191 0.000 0.293 16 A C -0.044 177.505 177.584 -0.058 0.000 1.307 16 A CA 0.100 52.090 52.037 -0.078 0.000 0.978 16 A CB -0.474 18.471 19.000 -0.092 0.000 1.111 16 A HN 0.945 9.046 8.150 0.105 0.112 0.535 17 K N 4.202 124.557 120.400 -0.076 0.000 2.362 17 K HA -0.273 4.037 4.320 -0.016 0.000 0.200 17 K C -1.658 174.898 176.600 -0.075 0.000 1.046 17 K CA 1.111 57.367 56.287 -0.051 0.000 0.952 17 K CB 0.222 32.696 32.500 -0.043 0.000 0.753 17 K HN -0.015 8.169 8.250 -0.110 0.000 0.466 18 S N -6.617 109.012 115.700 -0.119 0.000 2.579 18 S HA 0.164 4.586 4.470 -0.081 0.000 0.272 18 S C -1.744 172.777 174.600 -0.132 0.000 1.141 18 S CA -1.455 56.677 58.200 -0.114 0.000 0.843 18 S CB 3.050 66.177 63.200 -0.120 0.000 1.122 18 S HN -0.868 7.293 8.310 -0.166 0.050 0.468 19 N N 0.228 118.870 118.700 -0.097 0.000 2.383 19 N HA -0.036 4.848 4.740 -0.097 -0.202 0.192 19 N C 0.088 175.538 175.510 -0.100 0.000 1.141 19 N CA 0.006 53.003 53.050 -0.088 0.000 0.851 19 N CB 0.112 38.567 38.487 -0.053 0.000 0.976 19 N HN 0.421 8.755 8.380 -0.077 0.000 0.465 20 R N -2.768 117.659 120.500 -0.122 0.000 2.193 20 R HA -0.049 4.245 4.340 -0.076 0.000 0.213 20 R C -0.053 176.156 176.300 -0.151 0.000 1.055 20 R CA -0.241 55.793 56.100 -0.110 0.000 0.995 20 R CB -0.369 29.876 30.300 -0.092 0.000 0.893 20 R HN -0.078 8.014 8.270 -0.134 0.098 0.459 21 S N 0.154 115.691 115.700 -0.272 0.000 2.564 21 S HA -0.091 4.199 4.470 -0.301 0.000 0.278 21 S C -0.694 173.788 174.600 -0.195 0.000 1.333 21 S CA 0.095 58.075 58.200 -0.366 0.000 1.048 21 S CB 0.567 63.293 63.200 -0.790 0.000 0.900 21 S HN -0.550 7.552 8.310 -0.293 0.032 0.505 22 T N 3.626 118.114 114.554 -0.109 0.000 2.886 22 T HA 0.108 4.465 4.350 -0.113 -0.075 0.292 22 T C -0.988 173.641 174.700 -0.117 0.000 1.012 22 T CA 0.087 62.131 62.100 -0.093 0.000 0.982 22 T CB 2.922 71.762 68.868 -0.048 0.000 1.018 22 T HN -0.111 8.102 8.240 -0.045 0.000 0.451 23 C N 8.332 127.514 119.300 -0.196 0.000 2.555 23 C HA -0.105 4.252 4.460 -0.285 -0.068 0.385 23 C C 0.604 175.491 174.990 -0.172 0.000 1.296 23 C CA -0.783 58.089 59.018 -0.245 0.000 1.757 23 C CB -0.606 26.911 27.740 -0.373 0.000 2.445 23 C HN 0.743 8.858 8.230 -0.191 0.000 0.571 24 K N 8.081 128.256 120.400 -0.376 0.000 2.439 24 K HA -0.070 4.190 4.320 -0.099 0.000 0.197 24 K C 1.502 178.130 176.600 0.048 0.000 1.041 24 K CA 1.748 57.888 56.287 -0.246 0.000 0.970 24 K CB -0.370 31.888 32.500 -0.403 0.000 0.773 24 K HN 0.674 8.414 8.250 -0.677 0.104 0.479 25 G N -2.849 106.084 108.800 0.221 0.000 2.464 25 G HA2 0.064 4.383 3.960 0.469 0.000 0.217 25 G HA3 0.064 4.357 3.960 0.555 0.000 0.217 25 G C -0.446 174.594 174.900 0.233 0.000 1.138 25 G CA 1.551 46.907 45.100 0.425 0.000 0.793 25 G HN -0.217 8.035 8.290 0.030 0.056 0.539 26 C N -5.232 114.179 119.300 0.185 0.000 4.015 26 C HA 0.425 4.958 4.460 0.120 0.000 0.323 26 C C -0.522 174.531 174.990 0.104 0.000 1.724 26 C CA -1.878 57.227 59.018 0.144 0.000 1.828 26 C CB 0.785 28.625 27.740 0.167 0.000 3.083 26 C HN -0.600 7.731 8.230 0.169 0.000 0.640 27 M N -0.515 119.132 119.600 0.079 0.000 2.298 27 M HA -0.425 4.176 4.480 0.024 -0.107 0.196 27 M C -1.510 174.826 176.300 0.061 0.000 0.531 27 M CA 1.562 56.891 55.300 0.049 0.000 0.459 27 M CB -3.456 29.167 32.600 0.039 0.000 1.279 27 M HN 0.132 8.465 8.290 0.071 0.000 0.915 28 E N -1.499 118.756 120.200 0.092 0.000 2.343 28 E HA 0.312 4.704 4.350 0.071 0.000 0.270 28 E C -1.408 175.248 176.600 0.094 0.000 0.895 28 E CA -1.772 54.695 56.400 0.112 0.000 0.767 28 E CB 4.257 34.055 29.700 0.165 0.000 1.248 28 E HN -0.529 7.887 8.360 0.093 0.000 0.440 29 K N 1.294 121.733 120.400 0.065 0.000 2.326 29 K HA -0.137 4.164 4.320 -0.030 0.000 0.275 29 K C 0.116 176.748 176.600 0.053 0.000 1.018 29 K CA 0.498 56.795 56.287 0.017 0.000 0.962 29 K CB 0.417 32.918 32.500 0.002 0.000 0.953 29 K HN 0.370 8.658 8.250 0.063 0.000 0.475 30 I N 4.415 124.953 120.570 -0.055 0.000 2.441 30 I HA -0.100 4.157 4.170 0.145 0.000 0.287 30 I C -0.473 175.649 176.117 0.008 0.000 1.049 30 I CA 0.251 61.528 61.300 -0.037 0.000 1.381 30 I CB 1.072 38.951 38.000 -0.202 0.000 1.409 30 I HN 0.199 8.343 8.210 -0.110 0.000 0.523 31 E N 6.649 126.895 120.200 0.077 0.000 2.338 31 E HA -0.096 4.260 4.350 0.010 0.000 0.272 31 E C -0.723 175.868 176.600 -0.014 0.000 1.029 31 E CA -0.649 55.767 56.400 0.027 0.000 0.872 31 E CB 0.735 30.458 29.700 0.039 0.000 1.015 31 E HN 0.436 8.902 8.360 0.177 0.000 0.417 32 K N 3.492 123.871 120.400 -0.036 0.000 2.436 32 K HA -0.446 3.975 4.320 -0.063 -0.138 0.275 32 K C 1.457 178.024 176.600 -0.054 0.000 0.999 32 K CA 1.319 57.575 56.287 -0.051 0.000 0.980 32 K CB 0.262 32.731 32.500 -0.051 0.000 0.919 32 K HN 0.293 8.525 8.250 -0.031 0.000 0.484 33 G N 4.964 113.723 108.800 -0.067 0.000 2.162 33 G HA2 -0.400 3.479 3.960 -0.135 0.000 0.260 33 G HA3 -0.400 3.490 3.960 -0.116 0.000 0.260 33 G C -1.054 173.736 174.900 -0.184 0.000 0.976 33 G CA 0.401 45.428 45.100 -0.123 0.000 0.655 33 G HN 0.518 8.675 8.290 -0.053 0.102 0.533 34 Q N -3.641 116.102 119.800 -0.096 0.000 2.496 34 Q HA 0.325 4.571 4.340 -0.157 0.000 0.286 34 Q C -0.937 175.105 176.000 0.071 0.000 1.103 34 Q CA -2.744 53.025 55.803 -0.058 0.000 0.813 34 Q CB 1.904 30.632 28.738 -0.017 0.000 1.444 34 Q HN -0.821 7.363 8.270 -0.047 0.057 0.443 35 V N 1.349 121.351 119.914 0.148 0.000 2.655 35 V HA 0.006 4.481 4.120 0.308 -0.170 0.300 35 V C 0.137 176.326 176.094 0.159 0.000 1.044 35 V CA 1.813 64.242 62.300 0.216 0.000 1.095 35 V CB -0.040 31.907 31.823 0.206 0.000 0.952 35 V HN 0.551 8.809 8.190 0.113 0.000 0.485 36 R N 3.651 124.242 120.500 0.150 0.000 2.628 36 R HA 0.521 4.965 4.340 0.174 0.000 0.288 36 R C -2.094 174.381 176.300 0.292 0.000 0.980 36 R CA -1.964 54.243 56.100 0.179 0.000 0.891 36 R CB 3.321 33.644 30.300 0.038 0.000 1.188 36 R HN 0.913 9.283 8.270 0.166 0.000 0.450 37 L N 2.604 123.981 121.223 0.256 0.000 2.322 37 L HA 1.051 5.626 4.340 0.110 -0.169 0.269 37 L C -0.792 176.188 176.870 0.184 0.000 1.012 37 L CA -2.313 52.583 54.840 0.093 0.000 0.815 37 L CB 2.744 44.539 42.059 -0.440 0.000 1.295 37 L HN 0.160 8.540 8.230 0.250 0.000 0.438 38 S N -2.292 113.355 115.700 -0.088 0.000 2.588 38 S HA 0.832 5.485 4.470 0.045 -0.155 0.275 38 S C -1.933 172.639 174.600 -0.046 0.000 1.130 38 S CA -1.296 56.752 58.200 -0.254 0.000 0.855 38 S CB 3.252 65.735 63.200 -1.196 0.000 1.116 38 S HN 0.825 9.087 8.310 -0.080 0.000 0.472 39 K N 1.090 121.522 120.400 0.053 0.000 2.259 39 K HA 0.509 5.047 4.320 0.130 -0.140 0.252 39 K C -1.537 175.050 176.600 -0.023 0.000 0.936 39 K CA -1.723 54.619 56.287 0.092 0.000 0.810 39 K CB 4.011 36.617 32.500 0.177 0.000 1.143 39 K HN 0.350 8.657 8.250 0.095 0.000 0.427 40 K N 8.071 128.440 120.400 -0.053 0.000 2.316 40 K HA 0.386 4.904 4.320 -0.085 -0.249 0.289 40 K C -0.733 175.842 176.600 -0.042 0.000 1.070 40 K CA -0.337 55.905 56.287 -0.074 0.000 0.928 40 K CB 0.101 32.541 32.500 -0.100 0.000 1.039 40 K HN 0.484 8.600 8.250 -0.046 0.106 0.480 41 M N 2.512 122.098 119.600 -0.024 0.000 2.605 41 M HA 0.322 4.789 4.480 -0.022 0.000 0.281 41 M C -2.679 173.620 176.300 -0.003 0.000 1.166 41 M CA -0.750 54.545 55.300 -0.008 0.000 0.875 41 M CB 2.803 35.415 32.600 0.019 0.000 1.732 41 M HN 0.259 8.531 8.290 -0.031 0.000 0.504 42 V N 2.893 122.806 119.914 -0.002 0.000 2.599 42 V HA -0.259 4.046 4.120 -0.001 -0.185 0.300 42 V C -0.490 175.613 176.094 0.016 0.000 1.034 42 V CA 0.457 62.759 62.300 0.003 0.000 1.115 42 V CB 0.426 32.249 31.823 0.001 0.000 0.934 42 V HN 0.335 8.521 8.190 -0.006 0.000 0.485 43 D N 9.981 130.390 120.400 0.016 0.000 2.382 43 D HA 0.158 4.819 4.640 0.036 0.000 0.259 43 D C -0.755 175.560 176.300 0.026 0.000 1.224 43 D CA -1.958 52.057 54.000 0.025 0.000 0.894 43 D CB 2.118 42.929 40.800 0.018 0.000 1.127 43 D HN -0.219 8.157 8.370 0.009 0.000 0.487 44 P HA -0.018 4.417 4.420 0.025 0.000 0.229 44 P C -0.174 177.143 177.300 0.028 0.000 1.160 44 P CA 1.000 64.119 63.100 0.031 0.000 0.777 44 P CB 0.362 32.086 31.700 0.039 0.000 0.814 45 E N -1.696 118.521 120.200 0.028 0.000 2.400 45 E HA -0.017 4.347 4.350 0.023 0.000 0.195 45 E C -0.243 176.368 176.600 0.018 0.000 1.012 45 E CA 0.683 57.097 56.400 0.024 0.000 0.875 45 E CB 0.787 30.503 29.700 0.026 0.000 0.859 45 E HN 0.188 8.844 8.360 0.031 -0.277 0.498 46 K N -4.410 116.000 120.400 0.017 0.000 3.050 46 K HA 0.588 5.020 4.320 0.012 -0.105 0.185 46 K C -2.340 174.267 176.600 0.012 0.000 1.147 46 K CA -2.641 53.654 56.287 0.013 0.000 0.916 46 K CB -0.269 32.239 32.500 0.012 0.000 1.119 46 K HN -0.661 7.662 8.250 0.019 -0.062 0.605 47 P HA -0.044 4.474 4.420 0.009 -0.092 0.225 47 P C 1.350 178.653 177.300 0.006 0.000 1.148 47 P CA 1.469 64.575 63.100 0.009 0.000 0.779 47 P CB 0.237 31.942 31.700 0.009 0.000 0.780 48 Q N -1.283 118.520 119.800 0.006 0.000 2.234 48 Q HA -0.181 4.161 4.340 0.004 0.000 0.206 48 Q C 1.295 177.298 176.000 0.004 0.000 0.980 48 Q CA 2.605 58.411 55.803 0.005 0.000 0.869 48 Q CB -0.906 27.835 28.738 0.005 0.000 0.912 48 Q HN 0.596 8.822 8.270 0.007 0.048 0.436 49 L N -6.793 114.433 121.223 0.005 0.000 2.558 49 L HA 0.139 4.482 4.340 0.004 0.000 0.225 49 L C 0.698 177.569 176.870 0.002 0.000 1.128 49 L CA -0.327 54.516 54.840 0.005 0.000 0.868 49 L CB -0.841 41.222 42.059 0.007 0.000 1.006 49 L HN -0.676 7.529 8.230 0.006 0.029 0.454 50 G N -1.626 107.175 108.800 0.001 0.000 2.642 50 G HA2 -0.298 3.660 3.960 -0.003 0.000 0.231 50 G HA3 -0.298 3.659 3.960 -0.005 0.000 0.231 50 G C -1.064 173.833 174.900 -0.006 0.000 1.338 50 G CA -0.736 44.362 45.100 -0.003 0.000 0.883 50 G HN -0.517 7.610 8.290 0.002 0.165 0.570 51 M N 1.783 121.375 119.600 -0.013 0.000 2.303 51 M HA -0.093 4.528 4.480 -0.017 -0.151 0.350 51 M C -0.041 176.244 176.300 -0.025 0.000 1.518 51 M CA 1.481 56.768 55.300 -0.021 0.000 1.070 51 M CB -0.641 31.942 32.600 -0.029 0.000 1.910 51 M HN -0.145 8.137 8.290 -0.014 0.000 0.458 52 I N -1.074 119.477 120.570 -0.030 0.000 2.846 52 I HA 0.535 4.682 4.170 -0.038 0.000 0.307 52 I C -1.274 174.787 176.117 -0.094 0.000 1.053 52 I CA -2.362 58.911 61.300 -0.045 0.000 1.050 52 I CB 3.614 41.597 38.000 -0.028 0.000 1.239 52 I HN 0.735 8.825 8.210 -0.024 0.106 0.439 53 D N 3.522 123.831 120.400 -0.152 0.000 2.508 53 D HA 0.010 4.617 4.640 -0.288 -0.140 0.224 53 D C -0.692 175.294 176.300 -0.524 0.000 1.171 53 D CA 0.661 54.458 54.000 -0.337 0.000 1.006 53 D CB -1.491 39.084 40.800 -0.376 0.000 1.073 53 D HN 0.132 8.441 8.370 -0.102 0.000 0.513 54 R N 3.919 124.235 120.500 -0.308 0.000 2.316 54 R HA -0.000 4.215 4.340 -0.208 0.000 0.314 54 R C -0.767 175.309 176.300 -0.374 0.000 1.069 54 R CA 0.334 56.290 56.100 -0.240 0.000 0.959 54 R CB 0.754 31.038 30.300 -0.027 0.000 0.987 54 R HN 0.092 8.257 8.270 -0.174 0.000 0.446 55 W N 4.347 125.489 121.300 -0.263 0.000 2.303 55 W HA 0.381 5.193 4.660 -0.047 -0.179 0.334 55 W C -0.477 175.666 176.519 -0.627 0.000 1.197 55 W CA -0.626 56.566 57.345 -0.255 0.000 1.262 55 W CB 1.712 31.070 29.460 -0.171 0.000 1.153 55 W HN 0.274 8.398 8.180 -0.093 0.000 0.596 56 Y N -4.869 115.559 120.300 0.214 0.000 2.571 56 Y HA 0.229 4.817 4.550 0.064 0.000 0.341 56 Y C -0.964 174.991 175.900 0.091 0.000 1.076 56 Y CA -0.677 57.498 58.100 0.124 0.000 1.029 56 Y CB 4.241 42.817 38.460 0.194 0.000 1.308 56 Y HN 0.821 9.338 8.280 0.395 0.000 0.461 57 H N 1.904 121.172 119.070 0.330 0.000 2.671 57 H HA 0.272 4.946 4.556 0.196 0.000 0.372 57 H C -0.421 175.102 175.328 0.326 0.000 1.227 57 H CA 0.067 56.264 56.048 0.249 0.000 1.426 57 H CB -0.119 29.751 29.762 0.180 0.000 1.480 57 H HN -0.220 8.225 8.280 0.276 0.000 0.611 58 P HA -0.227 4.509 4.420 0.528 0.000 0.218 58 P C 0.653 178.198 177.300 0.407 0.000 1.148 58 P CA 2.294 65.653 63.100 0.432 0.000 0.822 58 P CB 0.050 31.914 31.700 0.273 0.000 0.784 59 G N -3.163 105.792 108.800 0.258 0.000 2.408 59 G HA2 -0.175 3.814 3.960 0.048 0.000 0.213 59 G HA3 -0.175 3.833 3.960 0.080 0.000 0.213 59 G C 0.904 175.856 174.900 0.086 0.000 1.177 59 G CA 1.118 46.287 45.100 0.114 0.000 0.802 59 G HN 0.252 8.679 8.290 0.274 0.027 0.533 60 C N 2.040 121.471 119.300 0.218 0.000 2.457 60 C HA -0.245 4.279 4.460 0.106 0.000 0.278 60 C C 1.692 176.752 174.990 0.116 0.000 1.309 60 C CA 2.463 61.601 59.018 0.199 0.000 1.735 60 C CB -1.939 26.013 27.740 0.354 0.000 1.992 60 C HN -0.045 8.374 8.230 0.315 0.000 0.493 61 F N 0.356 120.315 119.950 0.015 0.000 2.216 61 F HA -0.379 3.909 4.527 -0.398 0.000 0.300 61 F C 0.445 176.048 175.800 -0.328 0.000 1.085 61 F CA 3.229 61.105 58.000 -0.207 0.000 1.326 61 F CB -0.755 38.176 39.000 -0.115 0.000 1.027 61 F HN 0.106 8.735 8.300 0.548 0.000 0.497 62 V N -0.762 118.432 119.914 -1.200 0.000 2.358 62 V HA -0.541 2.821 4.120 -1.263 0.000 0.246 62 V C 1.967 177.764 176.094 -0.495 0.000 1.047 62 V CA 3.469 65.172 62.300 -0.995 0.000 1.035 62 V CB -0.333 31.028 31.823 -0.770 0.000 0.658 62 V HN -0.864 6.780 8.190 -0.902 0.005 0.452 63 K N -0.478 119.747 120.400 -0.291 0.000 2.097 63 K HA -0.292 3.937 4.320 -0.152 0.000 0.206 63 K C 0.994 177.510 176.600 -0.141 0.000 1.049 63 K CA 2.909 59.102 56.287 -0.158 0.000 0.933 63 K CB 0.044 32.505 32.500 -0.064 0.000 0.717 63 K HN -0.342 7.675 8.250 -0.252 0.082 0.442 64 N N -3.891 114.710 118.700 -0.165 0.000 2.214 64 N HA 0.229 4.919 4.740 -0.084 0.000 0.214 64 N C 0.402 175.815 175.510 -0.162 0.000 1.132 64 N CA -0.387 52.584 53.050 -0.132 0.000 0.856 64 N CB 0.383 38.820 38.487 -0.084 0.000 1.020 64 N HN -0.287 7.972 8.380 -0.201 0.000 0.509 65 R N -0.023 120.317 120.500 -0.266 0.000 2.133 65 R HA -0.459 3.778 4.340 -0.172 0.000 0.247 65 R C 1.000 177.330 176.300 0.050 0.000 1.151 65 R CA 4.178 60.135 56.100 -0.239 0.000 0.971 65 R CB -0.681 29.263 30.300 -0.592 0.000 0.866 65 R HN -0.543 7.326 8.270 -0.359 0.185 0.447 66 E N -2.944 117.251 120.200 -0.009 0.000 2.299 66 E HA -0.184 4.218 4.350 0.086 0.000 0.193 66 E C 1.517 178.144 176.600 0.045 0.000 0.998 66 E CA 1.454 57.877 56.400 0.038 0.000 0.851 66 E CB -0.824 28.877 29.700 0.002 0.000 0.795 66 E HN 0.280 8.572 8.360 -0.077 0.022 0.492 67 E N 0.633 120.847 120.200 0.024 0.000 2.112 67 E HA -0.162 4.210 4.350 0.036 0.000 0.190 67 E C 1.595 178.225 176.600 0.050 0.000 0.979 67 E CA 1.678 58.097 56.400 0.031 0.000 0.814 67 E CB -0.093 29.618 29.700 0.018 0.000 0.762 67 E HN -0.496 7.710 8.360 -0.005 0.151 0.460 68 L N -4.092 117.167 121.223 0.060 0.000 2.291 68 L HA -0.141 4.240 4.340 0.067 0.000 0.214 68 L C 0.309 177.267 176.870 0.146 0.000 1.120 68 L CA 1.081 55.983 54.840 0.103 0.000 0.799 68 L CB 0.677 42.817 42.059 0.135 0.000 0.925 68 L HN 0.096 8.235 8.230 0.029 0.108 0.446 69 G N -4.759 104.147 108.800 0.177 0.000 2.130 69 G HA2 -0.336 3.710 3.960 0.143 0.000 0.216 69 G HA3 -0.336 3.687 3.960 0.106 0.000 0.216 69 G C 0.321 175.366 174.900 0.242 0.000 0.999 69 G CA -0.392 44.804 45.100 0.160 0.000 0.686 69 G HN -0.685 7.601 8.290 0.186 0.115 0.515 70 F N 0.164 120.213 119.950 0.165 0.000 2.563 70 F HA -0.175 4.624 4.527 0.452 0.000 0.363 70 F C -0.393 175.545 175.800 0.231 0.000 1.123 70 F CA 2.120 60.265 58.000 0.240 0.000 1.307 70 F CB 0.761 39.779 39.000 0.029 0.000 1.115 70 F HN -0.279 8.347 8.300 0.543 0.000 0.592 71 R N 1.919 122.717 120.500 0.497 0.000 2.807 71 R HA 0.326 4.747 4.340 0.135 0.000 0.276 71 R C -1.368 174.988 176.300 0.094 0.000 0.979 71 R CA -2.592 53.605 56.100 0.161 0.000 0.928 71 R CB 1.486 31.735 30.300 -0.084 0.000 1.191 71 R HN 0.168 8.897 8.270 0.765 0.000 0.471 72 P HA -0.121 4.332 4.420 0.055 0.000 0.219 72 P C 0.962 178.242 177.300 -0.033 0.000 1.146 72 P CA 2.161 65.264 63.100 0.006 0.000 0.808 72 P CB 0.434 32.122 31.700 -0.020 0.000 0.779 73 E N -3.851 116.245 120.200 -0.173 0.000 2.338 73 E HA -0.176 4.109 4.350 -0.107 0.000 0.197 73 E C -0.862 175.684 176.600 -0.090 0.000 1.007 73 E CA 2.161 58.433 56.400 -0.213 0.000 0.849 73 E CB -0.574 28.905 29.700 -0.369 0.000 0.774 73 E HN 0.587 8.771 8.360 -0.250 0.027 0.506 74 Y N -6.647 113.706 120.300 0.088 0.000 2.634 74 Y HA 0.403 5.003 4.550 0.083 0.000 0.300 74 Y C -1.510 174.561 175.900 0.286 0.000 0.977 74 Y CA -3.672 54.499 58.100 0.120 0.000 1.134 74 Y CB -1.619 36.864 38.460 0.038 0.000 1.161 74 Y HN -0.342 7.776 8.280 0.003 0.164 0.623 75 S N 3.101 119.056 115.700 0.424 0.000 2.423 75 S HA -0.069 4.828 4.470 0.712 0.000 0.244 75 S C 0.823 175.640 174.600 0.362 0.000 1.267 75 S CA -0.397 58.059 58.200 0.427 0.000 0.988 75 S CB 0.997 64.306 63.200 0.181 0.000 0.978 75 S HN -0.674 7.795 8.310 0.264 0.000 0.506 76 A N 0.617 123.552 122.820 0.191 0.000 2.084 76 A HA -0.299 4.172 4.320 0.252 0.000 0.221 76 A C 1.999 179.350 177.584 -0.388 0.000 1.161 76 A CA 2.937 55.022 52.037 0.079 0.000 0.653 76 A CB -0.654 18.428 19.000 0.137 0.000 0.802 76 A HN -0.024 8.197 8.150 0.119 0.000 0.457 77 S N -6.352 109.073 115.700 -0.458 0.000 2.603 77 S HA -0.302 3.251 4.470 -1.528 0.000 0.229 77 S C 0.186 174.635 174.600 -0.252 0.000 0.972 77 S CA 1.134 58.941 58.200 -0.655 0.000 0.935 77 S CB -0.719 62.296 63.200 -0.310 0.000 0.769 77 S HN 0.083 8.234 8.310 -0.187 0.047 0.536 78 Q N -1.502 118.282 119.800 -0.027 0.000 2.135 78 Q HA 0.365 4.932 4.340 0.023 -0.213 0.231 78 Q C -1.206 174.899 176.000 0.177 0.000 0.817 78 Q CA -2.014 53.839 55.803 0.083 0.000 1.073 78 Q CB 0.660 29.476 28.738 0.129 0.000 1.176 78 Q HN -0.248 7.879 8.270 0.059 0.179 0.478 79 L N 1.330 122.673 121.223 0.200 0.000 2.349 79 L HA 0.145 4.914 4.340 0.386 -0.197 0.275 79 L C -0.007 176.967 176.870 0.173 0.000 1.115 79 L CA -0.439 54.558 54.840 0.262 0.000 0.820 79 L CB 0.605 42.803 42.059 0.232 0.000 1.135 79 L HN -0.652 7.600 8.230 0.037 0.000 0.445 80 K N 1.918 122.390 120.400 0.121 0.000 2.524 80 K HA -0.239 4.121 4.320 0.067 0.000 0.279 80 K C 1.692 178.361 176.600 0.115 0.000 0.993 80 K CA 1.391 57.729 56.287 0.084 0.000 1.030 80 K CB -0.114 32.413 32.500 0.044 0.000 0.891 80 K HN 0.002 8.320 8.250 0.114 0.000 0.488 81 G N 3.519 112.378 108.800 0.097 0.000 2.186 81 G HA2 -0.420 3.564 3.960 0.040 0.000 0.266 81 G HA3 -0.420 3.560 3.960 0.033 0.000 0.266 81 G C 0.887 175.833 174.900 0.077 0.000 0.982 81 G CA 1.092 46.230 45.100 0.063 0.000 0.670 81 G HN 0.939 9.278 8.290 0.081 0.000 0.533 82 F N 1.758 121.709 119.950 0.002 0.000 2.161 82 F HA -0.416 4.107 4.527 -0.007 0.000 0.300 82 F C 0.627 176.424 175.800 -0.005 0.000 1.089 82 F CA 3.288 61.293 58.000 0.008 0.000 1.282 82 F CB 0.191 39.222 39.000 0.051 0.000 1.010 82 F HN -0.756 7.670 8.300 0.319 0.066 0.485 83 S N -0.944 114.762 115.700 0.010 0.000 2.447 83 S HA -0.263 4.064 4.470 -0.238 0.000 0.233 83 S C 1.461 175.967 174.600 -0.157 0.000 1.006 83 S CA 3.025 61.168 58.200 -0.096 0.000 0.957 83 S CB -0.609 62.634 63.200 0.072 0.000 0.773 83 S HN 0.175 8.606 8.310 0.228 0.016 0.507 84 L N -0.447 120.684 121.223 -0.153 0.000 2.509 84 L HA 0.072 4.338 4.340 -0.123 0.000 0.222 84 L C -0.089 176.617 176.870 -0.273 0.000 1.123 84 L CA 0.122 54.861 54.840 -0.170 0.000 0.856 84 L CB -0.882 41.090 42.059 -0.144 0.000 0.985 84 L HN -0.593 7.410 8.230 -0.119 0.156 0.456 85 L N -2.185 118.834 121.223 -0.341 0.000 2.474 85 L HA -0.228 3.765 4.340 -0.577 0.000 0.259 85 L C -0.543 176.259 176.870 -0.115 0.000 1.232 85 L CA -0.225 54.420 54.840 -0.324 0.000 0.821 85 L CB 0.185 42.085 42.059 -0.265 0.000 1.108 85 L HN -0.761 7.218 8.230 -0.341 0.047 0.495 86 A N -0.355 122.522 122.820 0.095 0.000 2.483 86 A HA -0.063 4.286 4.320 0.048 0.000 0.238 86 A C 0.940 178.515 177.584 -0.015 0.000 1.070 86 A CA 0.359 52.438 52.037 0.071 0.000 0.770 86 A CB 0.425 19.501 19.000 0.128 0.000 1.008 86 A HN -0.204 8.138 8.150 0.321 0.000 0.497 87 T N 3.728 118.271 114.554 -0.019 0.000 2.720 87 T HA -0.486 3.826 4.350 -0.063 0.000 0.268 87 T C 1.716 176.412 174.700 -0.005 0.000 1.037 87 T CA 4.867 66.951 62.100 -0.027 0.000 1.144 87 T CB -0.129 68.736 68.868 -0.006 0.000 0.864 87 T HN 0.373 8.611 8.240 -0.004 0.000 0.444 88 E N -0.365 119.843 120.200 0.013 0.000 2.150 88 E HA -0.274 4.093 4.350 0.028 0.000 0.193 88 E C 2.209 178.833 176.600 0.040 0.000 0.985 88 E CA 2.767 59.183 56.400 0.026 0.000 0.814 88 E CB -0.760 28.954 29.700 0.023 0.000 0.752 88 E HN 0.572 8.941 8.360 0.015 0.000 0.466 89 D N 1.089 121.513 120.400 0.041 0.000 2.162 89 D HA -0.071 4.620 4.640 0.085 0.000 0.203 89 D C 2.091 178.417 176.300 0.045 0.000 0.967 89 D CA 2.869 56.908 54.000 0.065 0.000 0.840 89 D CB 0.106 40.970 40.800 0.106 0.000 0.972 89 D HN -0.471 7.796 8.370 0.034 0.124 0.482 90 K N 0.327 120.680 120.400 -0.078 0.000 2.057 90 K HA -0.352 3.797 4.320 -0.285 0.000 0.207 90 K C 2.734 179.426 176.600 0.153 0.000 1.049 90 K CA 3.646 59.825 56.287 -0.180 0.000 0.931 90 K CB -0.015 32.210 32.500 -0.458 0.000 0.714 90 K HN 0.040 8.232 8.250 -0.097 0.000 0.440 91 E N -1.339 118.921 120.200 0.100 0.000 2.047 91 E HA -0.262 4.178 4.350 0.150 0.000 0.191 91 E C 2.239 178.916 176.600 0.128 0.000 0.987 91 E CA 2.739 59.211 56.400 0.120 0.000 0.799 91 E CB -0.311 29.433 29.700 0.073 0.000 0.752 91 E HN -0.039 8.346 8.360 0.042 0.000 0.449 92 A N -0.513 122.374 122.820 0.113 0.000 1.972 92 A HA -0.194 4.176 4.320 0.084 0.000 0.219 92 A C 2.564 180.236 177.584 0.148 0.000 1.169 92 A CA 2.864 54.967 52.037 0.108 0.000 0.635 92 A CB -0.677 18.378 19.000 0.093 0.000 0.810 92 A HN -0.277 7.928 8.150 0.093 0.000 0.446 93 L N -2.686 118.670 121.223 0.221 0.000 2.027 93 L HA -0.461 4.053 4.340 0.290 0.000 0.206 93 L C 2.314 179.318 176.870 0.224 0.000 1.074 93 L CA 2.849 57.865 54.840 0.294 0.000 0.745 93 L CB -0.310 42.005 42.059 0.428 0.000 0.898 93 L HN 0.220 8.586 8.230 0.227 0.000 0.433 94 K N -2.218 118.320 120.400 0.229 0.000 2.097 94 K HA -0.273 4.277 4.320 0.091 -0.176 0.206 94 K C 1.706 178.352 176.600 0.075 0.000 1.049 94 K CA 2.589 58.956 56.287 0.134 0.000 0.933 94 K CB -0.065 32.532 32.500 0.161 0.000 0.717 94 K HN -0.726 7.708 8.250 0.307 0.000 0.442 95 K N -3.561 116.886 120.400 0.078 0.000 2.209 95 K HA -0.196 4.145 4.320 0.034 0.000 0.204 95 K C 1.606 178.212 176.600 0.009 0.000 1.048 95 K CA 1.992 58.304 56.287 0.041 0.000 0.940 95 K CB -0.077 32.451 32.500 0.046 0.000 0.729 95 K HN -0.048 8.162 8.250 0.109 0.105 0.451 96 Q N -3.417 116.382 119.800 -0.001 0.000 2.349 96 Q HA -0.069 4.232 4.340 -0.064 0.000 0.209 96 Q C 0.163 176.087 176.000 -0.128 0.000 0.920 96 Q CA 1.170 56.934 55.803 -0.064 0.000 0.901 96 Q CB 1.898 30.594 28.738 -0.069 0.000 1.021 96 Q HN -0.625 7.628 8.270 0.034 0.038 0.519 97 L N -0.113 121.046 121.223 -0.107 0.000 2.457 97 L HA 0.511 4.754 4.340 -0.162 0.000 0.259 97 L C -3.263 173.582 176.870 -0.043 0.000 1.377 97 L CA -2.787 51.962 54.840 -0.152 0.000 0.887 97 L CB 2.279 44.118 42.059 -0.367 0.000 1.085 97 L HN -0.158 7.981 8.230 -0.034 0.071 0.509 98 P HA 0.307 4.739 4.420 0.021 0.000 0.286 98 P C -0.634 176.678 177.300 0.020 0.000 1.261 98 P CA -1.235 61.872 63.100 0.012 0.000 0.821 98 P CB 1.653 33.362 31.700 0.015 0.000 1.013 99 G N -0.072 108.742 108.800 0.024 0.000 2.367 99 G HA2 0.249 4.419 3.960 0.055 0.000 0.314 99 G HA3 0.249 4.230 3.960 0.035 0.000 0.314 99 G C -0.873 174.039 174.900 0.019 0.000 1.130 99 G CA -0.995 44.126 45.100 0.035 0.000 0.864 99 G HN -0.132 8.166 8.290 0.012 0.000 0.486 100 V N 2.788 122.709 119.914 0.011 0.000 2.572 100 V HA -0.088 4.032 4.120 0.002 0.000 0.291 100 V C 0.448 176.544 176.094 0.003 0.000 1.039 100 V CA 0.826 63.125 62.300 -0.001 0.000 1.055 100 V CB 0.814 32.626 31.823 -0.020 0.000 0.969 100 V HN 0.527 8.725 8.190 0.014 0.000 0.482 101 K N 8.510 128.913 120.400 0.006 0.000 2.352 101 K HA -0.033 4.294 4.320 0.013 0.000 0.194 101 K C 1.651 178.253 176.600 0.004 0.000 1.038 101 K CA 2.058 58.351 56.287 0.010 0.000 1.023 101 K CB -0.193 32.316 32.500 0.016 0.000 0.840 101 K HN 0.619 8.873 8.250 0.006 0.000 0.519 102 S N 0.395 116.094 115.700 -0.002 0.000 2.500 102 S HA -0.224 4.246 4.470 -0.001 0.000 0.239 102 S C 0.541 175.137 174.600 -0.007 0.000 0.989 102 S CA 1.880 60.078 58.200 -0.004 0.000 0.951 102 S CB -0.640 62.554 63.200 -0.009 0.000 0.759 102 S HN 0.039 8.348 8.310 -0.003 0.000 0.523 103 E N 1.266 121.461 120.200 -0.009 0.000 2.333 103 E HA -0.155 4.188 4.350 -0.013 0.000 0.198 103 E C 0.592 177.191 176.600 -0.002 0.000 1.007 103 E CA 0.089 56.484 56.400 -0.009 0.000 0.845 103 E CB -0.318 29.375 29.700 -0.010 0.000 0.766 103 E HN -0.001 8.297 8.360 -0.009 0.056 0.507 104 G N -0.522 108.280 108.800 0.003 0.000 2.215 104 G HA2 -0.243 3.721 3.960 0.007 0.000 0.198 104 G HA3 -0.243 3.720 3.960 0.005 0.000 0.198 104 G C 0.171 175.077 174.900 0.011 0.000 1.047 104 G CA 0.013 45.117 45.100 0.006 0.000 0.747 104 G HN -0.020 8.103 8.290 0.003 0.168 0.495 105 K N -1.067 119.342 120.400 0.014 0.000 2.057 105 K HA -0.229 4.103 4.320 0.019 0.000 0.206 105 K C 0.282 176.896 176.600 0.023 0.000 1.050 105 K CA 1.819 58.118 56.287 0.020 0.000 0.935 105 K CB 0.508 33.022 32.500 0.023 0.000 0.715 105 K HN -0.481 7.776 8.250 0.012 0.000 0.439 106 R N -2.348 118.166 120.500 0.023 0.000 2.921 106 R HA 0.223 4.712 4.340 0.022 -0.136 0.269 106 R C -1.815 174.496 176.300 0.020 0.000 1.696 106 R CA -0.293 55.821 56.100 0.024 0.000 1.161 106 R CB -0.290 30.028 30.300 0.031 0.000 1.337 106 R HN -0.405 7.877 8.270 0.020 0.000 0.496 107 K N 4.784 125.193 120.400 0.016 0.000 2.366 107 K HA -0.080 4.247 4.320 0.013 0.000 0.198 107 K C 1.037 177.646 176.600 0.014 0.000 1.044 107 K CA 0.724 57.019 56.287 0.013 0.000 0.973 107 K CB 0.064 32.570 32.500 0.010 0.000 0.767 107 K HN 0.503 9.225 8.250 0.015 -0.463 0.475 108 G N -0.482 108.327 108.800 0.015 0.000 2.137 108 G HA2 -0.236 3.734 3.960 0.016 0.000 0.237 108 G HA3 -0.236 3.733 3.960 0.014 0.000 0.237 108 G C -1.424 173.483 174.900 0.012 0.000 1.002 108 G CA 0.176 45.285 45.100 0.015 0.000 0.702 108 G HN -0.140 8.439 8.290 0.017 -0.279 0.515 109 D N -1.432 118.975 120.400 0.012 0.000 3.060 109 D HA 0.113 4.759 4.640 0.009 0.000 0.326 109 D C -1.395 174.911 176.300 0.010 0.000 1.253 109 D CA 0.032 54.038 54.000 0.010 0.000 0.737 109 D CB 0.541 41.346 40.800 0.008 0.000 1.260 109 D HN -0.321 8.057 8.370 0.013 0.000 0.542 110 E N 1.367 121.573 120.200 0.011 0.000 2.406 110 E HA 0.189 4.545 4.350 0.010 0.000 0.204 110 E C 0.642 177.249 176.600 0.011 0.000 0.820 110 E CA 0.938 57.345 56.400 0.011 0.000 1.136 110 E CB 1.839 31.547 29.700 0.014 0.000 1.129 110 E HN 0.462 9.230 8.360 0.012 -0.401 0.530 111 V N -6.100 113.821 119.914 0.011 0.000 3.415 111 V HA 0.197 4.323 4.120 0.009 0.000 0.315 111 V C -1.164 174.936 176.094 0.010 0.000 1.516 111 V CA -0.099 62.207 62.300 0.010 0.000 1.122 111 V CB 0.960 32.790 31.823 0.012 0.000 0.988 111 V HN -0.485 7.712 8.190 0.012 0.000 0.474 112 D N 0.000 120.406 120.400 0.010 0.000 6.856 112 D HA 0.000 4.646 4.640 0.010 0.000 0.175 112 D CA 0.000 54.006 54.000 0.009 0.000 0.868 112 D CB 0.000 40.806 40.800 0.010 0.000 0.688 112 D HN 0.000 8.376 8.370 0.010 0.000 0.683