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 1swh_1_A DATA FIRST_RESID 16 DATA SEQUENCE GITGTWYNQL GSTFIVTAGA DGALTGTYES XXXXXXSRYV LTGRYDSAPA DATA SEQUENCE TDGSGTALGW TVAFKNNYRN AHSATTWSGQ YVGGAEARIN TQWLLTSGTT DATA SEQUENCE EANAWKSTLV GHDTFTKVKP 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 16 G HA2 0.000 nan 3.960 nan 0.000 0.244 16 G HA3 0.000 3.953 3.960 -0.012 0.000 0.244 16 G C 0.000 174.835 174.900 -0.109 0.000 0.946 16 G CA 0.000 45.059 45.100 -0.067 0.000 0.502 17 I N 2.211 122.548 120.570 -0.388 0.000 2.406 17 I HA 0.089 4.251 4.170 -0.012 0.000 0.249 17 I C 1.112 177.259 176.117 0.050 0.000 1.122 17 I CA 0.940 62.114 61.300 -0.210 0.000 1.431 17 I CB -0.404 37.253 38.000 -0.572 0.000 1.087 17 I HN 0.128 nan 8.210 nan 0.000 0.424 18 T N 1.952 116.428 114.554 -0.129 0.000 2.908 18 T HA 0.403 4.746 4.350 -0.012 0.000 0.301 18 T C 0.337 174.958 174.700 -0.131 0.000 1.019 18 T CA 0.741 62.760 62.100 -0.135 0.000 1.152 18 T CB 0.533 69.313 68.868 -0.146 0.000 0.966 18 T HN 0.668 nan 8.240 nan 0.000 0.540 19 G N 2.157 110.834 108.800 -0.205 0.000 2.350 19 G HA2 0.300 4.253 3.960 -0.012 0.000 0.282 19 G HA3 0.300 4.253 3.960 -0.012 0.000 0.282 19 G C -0.981 173.664 174.900 -0.424 0.000 1.314 19 G CA -0.986 43.910 45.100 -0.340 0.000 0.915 19 G HN 0.686 nan 8.290 nan 0.000 0.499 20 T N 0.706 114.950 114.554 -0.517 0.000 2.767 20 T HA 0.615 4.958 4.350 -0.012 0.000 0.284 20 T C -1.051 173.218 174.700 -0.718 0.000 0.973 20 T CA 0.206 61.990 62.100 -0.528 0.000 0.996 20 T CB 0.836 69.455 68.868 -0.415 0.000 0.927 20 T HN 0.453 nan 8.240 nan 0.000 0.456 21 W N 1.825 122.794 121.300 -0.552 0.000 2.781 21 W HA 0.657 5.310 4.660 -0.011 0.000 0.345 21 W C -1.179 175.145 176.519 -0.324 0.000 1.085 21 W CA -0.923 56.272 57.345 -0.250 0.000 1.198 21 W CB 1.246 30.747 29.460 0.068 0.000 1.423 21 W HN 0.552 nan 8.180 nan 0.000 0.532 22 Y N 2.043 122.664 120.300 0.535 0.000 2.477 22 Y HA 0.317 4.859 4.550 -0.013 0.000 0.347 22 Y C 0.395 176.444 175.900 0.248 0.000 0.981 22 Y CA -1.379 56.924 58.100 0.338 0.000 1.033 22 Y CB 1.269 39.823 38.460 0.157 0.000 1.245 22 Y HN 0.407 nan 8.280 nan 0.000 0.455 23 N N 1.052 119.845 118.700 0.154 0.000 2.491 23 N HA 0.074 4.806 4.740 -0.012 0.000 0.279 23 N C 0.924 176.424 175.510 -0.016 0.000 1.236 23 N CA -0.683 52.236 53.050 -0.218 0.000 0.982 23 N CB 0.419 38.534 38.487 -0.620 0.000 1.194 23 N HN 0.742 nan 8.380 nan 0.000 0.582 24 Q N -0.467 119.303 119.800 -0.050 0.000 2.248 24 Q HA -0.141 4.191 4.340 -0.012 0.000 0.208 24 Q C 0.825 176.832 176.000 0.012 0.000 0.984 24 Q CA 1.580 57.384 55.803 0.002 0.000 0.875 24 Q CB -0.479 28.259 28.738 -0.001 0.000 0.910 24 Q HN 0.709 nan 8.270 nan 0.000 0.433 25 L N -0.401 120.830 121.223 0.012 0.000 2.667 25 L HA 0.319 4.652 4.340 -0.012 0.000 0.232 25 L C 1.041 177.933 176.870 0.037 0.000 1.138 25 L CA 0.310 55.164 54.840 0.024 0.000 0.921 25 L CB 0.377 42.453 42.059 0.029 0.000 1.180 25 L HN 0.476 nan 8.230 nan 0.000 0.487 26 G N -0.627 108.207 108.800 0.057 0.000 2.175 26 G HA2 -0.256 3.696 3.960 -0.012 0.000 0.244 26 G HA3 -0.256 3.696 3.960 -0.012 0.000 0.244 26 G C 0.295 175.265 174.900 0.117 0.000 0.982 26 G CA 0.193 45.340 45.100 0.077 0.000 0.641 26 G HN 0.293 nan 8.290 nan 0.000 0.527 27 S N 0.775 116.534 115.700 0.099 0.000 2.576 27 S HA 0.583 5.046 4.470 -0.012 0.000 0.276 27 S C 0.443 175.091 174.600 0.079 0.000 1.339 27 S CA 0.588 58.803 58.200 0.025 0.000 1.039 27 S CB 1.352 64.543 63.200 -0.014 0.000 0.902 27 S HN 0.525 nan 8.310 nan 0.000 0.516 28 T N 2.928 117.433 114.554 -0.081 0.000 2.829 28 T HA 0.528 4.870 4.350 -0.012 0.000 0.280 28 T C -1.003 173.641 174.700 -0.095 0.000 0.999 28 T CA -0.409 61.660 62.100 -0.052 0.000 0.983 28 T CB 0.649 69.497 68.868 -0.033 0.000 0.968 28 T HN 0.461 nan 8.240 nan 0.000 0.446 29 F N 4.345 124.183 119.950 -0.186 0.000 2.500 29 F HA 0.613 5.134 4.527 -0.011 0.000 0.349 29 F C -1.489 174.204 175.800 -0.177 0.000 1.127 29 F CA -1.887 56.003 58.000 -0.183 0.000 0.998 29 F CB 0.398 39.243 39.000 -0.259 0.000 1.237 29 F HN 0.457 nan 8.300 nan 0.000 0.439 30 I N 7.456 127.815 120.570 -0.351 0.000 2.312 30 I HA 0.508 4.671 4.170 -0.012 0.000 0.290 30 I C -0.828 174.985 176.117 -0.508 0.000 1.008 30 I CA -1.033 60.018 61.300 -0.415 0.000 1.226 30 I CB 1.376 39.236 38.000 -0.234 0.000 1.371 30 I HN 0.420 nan 8.210 nan 0.000 0.468 31 V N 5.299 124.824 119.914 -0.648 0.000 2.789 31 V HA 0.544 4.657 4.120 -0.012 0.000 0.311 31 V C -0.410 175.477 176.094 -0.345 0.000 1.073 31 V CA -0.053 61.902 62.300 -0.575 0.000 0.921 31 V CB 2.764 33.975 31.823 -1.020 0.000 1.009 31 V HN 0.765 nan 8.190 nan 0.000 0.426 32 T N 5.392 119.806 114.554 -0.233 0.000 2.792 32 T HA 0.670 5.013 4.350 -0.012 0.000 0.280 32 T C -0.190 174.425 174.700 -0.142 0.000 0.990 32 T CA 0.015 62.015 62.100 -0.167 0.000 0.960 32 T CB 1.391 70.194 68.868 -0.108 0.000 0.939 32 T HN 1.048 nan 8.240 nan 0.000 0.439 33 A N 3.015 125.730 122.820 -0.176 0.000 2.310 33 A HA 0.692 5.005 4.320 -0.012 0.000 0.300 33 A C 0.850 178.451 177.584 0.028 0.000 1.269 33 A CA -0.547 51.380 52.037 -0.184 0.000 0.909 33 A CB -0.023 18.652 19.000 -0.542 0.000 1.144 33 A HN 0.923 nan 8.150 nan 0.000 0.540 34 G N 0.382 109.287 108.800 0.175 0.000 2.528 34 G HA2 0.483 4.435 3.960 -0.012 0.000 0.289 34 G HA3 0.483 4.435 3.960 -0.012 0.000 0.289 34 G C 0.959 175.963 174.900 0.174 0.000 1.192 34 G CA 0.062 45.241 45.100 0.131 0.000 0.921 34 G HN 1.226 nan 8.290 nan 0.000 0.512 35 A N -0.206 122.665 122.820 0.085 0.000 2.168 35 A HA 0.057 4.370 4.320 -0.012 0.000 0.215 35 A C 1.621 179.207 177.584 0.002 0.000 1.152 35 A CA 1.661 53.734 52.037 0.060 0.000 0.716 35 A CB -0.087 18.933 19.000 0.032 0.000 0.794 35 A HN 0.617 nan 8.150 nan 0.000 0.465 36 D N -2.186 118.207 120.400 -0.013 0.000 2.340 36 D HA 0.263 4.896 4.640 -0.012 0.000 0.217 36 D C 1.047 177.262 176.300 -0.141 0.000 1.081 36 D CA 0.692 54.656 54.000 -0.060 0.000 0.842 36 D CB -0.437 40.345 40.800 -0.030 0.000 0.934 36 D HN 0.658 nan 8.370 nan 0.000 0.511 37 G N -0.189 108.455 108.800 -0.259 0.000 2.141 37 G HA2 -0.098 3.855 3.960 -0.012 0.000 0.231 37 G HA3 -0.098 3.855 3.960 -0.012 0.000 0.231 37 G C 0.390 175.214 174.900 -0.128 0.000 0.984 37 G CA -0.002 44.743 45.100 -0.591 0.000 0.660 37 G HN 0.782 nan 8.290 nan 0.000 0.525 38 A N -0.235 122.632 122.820 0.078 0.000 2.327 38 A HA 0.810 5.122 4.320 -0.012 0.000 0.283 38 A C -0.272 177.447 177.584 0.225 0.000 1.127 38 A CA -0.170 51.947 52.037 0.134 0.000 0.810 38 A CB 1.036 20.081 19.000 0.075 0.000 1.066 38 A HN 0.877 nan 8.150 nan 0.000 0.492 39 L N 2.010 123.334 121.223 0.168 0.000 2.341 39 L HA 0.707 5.040 4.340 -0.012 0.000 0.278 39 L C 0.399 177.293 176.870 0.040 0.000 1.005 39 L CA 0.335 55.227 54.840 0.088 0.000 0.818 39 L CB 1.830 43.953 42.059 0.106 0.000 1.259 39 L HN 0.948 nan 8.230 nan 0.000 0.418 40 T N 0.063 114.606 114.554 -0.018 0.000 2.900 40 T HA 0.995 5.337 4.350 -0.012 0.000 0.303 40 T C -0.225 174.431 174.700 -0.073 0.000 1.142 40 T CA -0.223 61.865 62.100 -0.021 0.000 1.007 40 T CB 2.273 71.135 68.868 -0.010 0.000 1.156 40 T HN 0.988 nan 8.240 nan 0.000 0.490 41 G N 0.013 108.784 108.800 -0.049 0.000 2.404 41 G HA2 0.483 4.436 3.960 -0.012 0.000 0.253 41 G HA3 0.483 4.436 3.960 -0.012 0.000 0.253 41 G C -1.305 173.589 174.900 -0.009 0.000 1.253 41 G CA -0.192 44.862 45.100 -0.076 0.000 0.917 41 G HN 0.956 nan 8.290 nan 0.000 0.480 42 T N -0.502 114.052 114.554 -0.001 0.000 2.956 42 T HA 0.599 4.941 4.350 -0.012 0.000 0.312 42 T C -2.111 172.693 174.700 0.173 0.000 1.151 42 T CA -0.259 61.891 62.100 0.082 0.000 1.024 42 T CB 1.585 70.469 68.868 0.028 0.000 1.140 42 T HN 0.772 nan 8.240 nan 0.000 0.473 43 Y N 2.130 122.503 120.300 0.122 0.000 2.376 43 Y HA 0.629 5.172 4.550 -0.012 0.000 0.340 43 Y C -0.341 175.714 175.900 0.259 0.000 0.965 43 Y CA -0.813 57.396 58.100 0.182 0.000 1.078 43 Y CB 1.436 40.005 38.460 0.180 0.000 1.193 43 Y HN 0.612 nan 8.280 nan 0.000 0.452 44 E N 4.059 124.133 120.200 -0.211 0.000 2.191 44 E HA 0.427 4.769 4.350 -0.012 0.000 0.263 44 E C -1.214 175.238 176.600 -0.247 0.000 0.881 44 E CA -0.441 55.921 56.400 -0.063 0.000 0.757 44 E CB 1.487 31.165 29.700 -0.036 0.000 1.147 44 E HN 0.650 nan 8.360 nan 0.000 0.414 53 R N -0.188 120.209 120.500 -0.171 0.000 2.500 53 R HA 0.608 4.941 4.340 -0.012 0.000 0.275 53 R C -1.385 174.752 176.300 -0.272 0.000 1.051 53 R CA -0.117 55.931 56.100 -0.087 0.000 1.088 53 R CB 0.384 30.677 30.300 -0.013 0.000 1.063 53 R HN 0.473 nan 8.270 nan 0.000 0.511 54 Y N -0.427 119.971 120.300 0.165 0.000 2.462 54 Y HA 0.289 4.833 4.550 -0.011 0.000 0.346 54 Y C -0.013 175.943 175.900 0.094 0.000 0.976 54 Y CA -1.164 57.013 58.100 0.129 0.000 1.044 54 Y CB 1.569 40.100 38.460 0.118 0.000 1.230 54 Y HN 0.189 nan 8.280 nan 0.000 0.455 55 V N 4.675 124.707 119.914 0.197 0.000 2.637 55 V HA 0.178 4.290 4.120 -0.012 0.000 0.296 55 V C -0.226 175.936 176.094 0.113 0.000 1.046 55 V CA -0.161 62.210 62.300 0.119 0.000 1.066 55 V CB 0.444 32.315 31.823 0.080 0.000 0.968 55 V HN 0.575 nan 8.190 nan 0.000 0.483 56 L N 3.274 124.555 121.223 0.096 0.000 2.381 56 L HA 0.992 5.324 4.340 -0.012 0.000 0.268 56 L C -0.503 176.417 176.870 0.083 0.000 0.997 56 L CA -0.062 54.838 54.840 0.100 0.000 0.818 56 L CB 2.365 44.468 42.059 0.074 0.000 1.310 56 L HN 0.541 nan 8.230 nan 0.000 0.416 57 T N 1.118 115.747 114.554 0.125 0.000 2.900 57 T HA 0.935 5.277 4.350 -0.012 0.000 0.303 57 T C -0.498 174.311 174.700 0.181 0.000 1.142 57 T CA 0.109 62.278 62.100 0.115 0.000 1.007 57 T CB 1.540 70.456 68.868 0.081 0.000 1.156 57 T HN 1.362 nan 8.240 nan 0.000 0.490 58 G N 2.420 111.322 108.800 0.170 0.000 2.489 58 G HA2 0.640 4.592 3.960 -0.012 0.000 0.305 58 G HA3 0.640 4.592 3.960 -0.012 0.000 0.305 58 G C -2.038 172.971 174.900 0.182 0.000 1.311 58 G CA -0.761 44.468 45.100 0.216 0.000 0.813 58 G HN 0.708 nan 8.290 nan 0.000 0.480 59 R N -1.128 119.491 120.500 0.198 0.000 2.837 59 R HA 0.687 5.020 4.340 -0.012 0.000 0.271 59 R C -1.467 174.990 176.300 0.262 0.000 0.993 59 R CA -0.689 55.514 56.100 0.173 0.000 0.931 59 R CB 1.704 32.054 30.300 0.084 0.000 1.206 59 R HN 0.893 nan 8.270 nan 0.000 0.474 60 Y N -2.374 117.957 120.300 0.052 0.000 2.625 60 Y HA 0.416 4.958 4.550 -0.013 0.000 0.338 60 Y C -0.841 175.079 175.900 0.033 0.000 1.123 60 Y CA -1.636 56.493 58.100 0.048 0.000 1.046 60 Y CB 0.959 39.438 38.460 0.030 0.000 1.299 60 Y HN 0.423 nan 8.280 nan 0.000 0.464 61 D N 1.367 121.792 120.400 0.042 0.000 2.344 61 D HA 0.131 4.763 4.640 -0.012 0.000 0.253 61 D C 0.708 176.942 176.300 -0.109 0.000 1.255 61 D CA 0.517 54.486 54.000 -0.051 0.000 0.894 61 D CB 0.848 41.683 40.800 0.058 0.000 1.067 61 D HN 0.685 nan 8.370 nan 0.000 0.492 62 S N 2.343 117.832 115.700 -0.351 0.000 2.603 62 S HA 0.207 4.670 4.470 -0.012 0.000 0.220 62 S C 0.834 175.416 174.600 -0.029 0.000 0.967 62 S CA -0.063 57.981 58.200 -0.260 0.000 0.920 62 S CB 0.300 63.278 63.200 -0.370 0.000 0.773 62 S HN 0.470 nan 8.310 nan 0.000 0.529 63 A N 2.347 125.159 122.820 -0.014 0.000 3.300 63 A HA 0.571 4.884 4.320 -0.012 0.000 0.300 63 A C -2.645 174.960 177.584 0.036 0.000 1.099 63 A CA -1.162 50.886 52.037 0.019 0.000 0.846 63 A CB 0.514 19.514 19.000 -0.000 0.000 1.255 63 A HN 0.357 nan 8.150 nan 0.000 0.519 64 P HA 0.472 nan 4.420 nan 0.000 0.275 64 P C 0.346 177.682 177.300 0.060 0.000 1.266 64 P CA -0.138 63.006 63.100 0.072 0.000 0.793 64 P CB 0.796 32.561 31.700 0.109 0.000 1.074 65 A N 0.627 123.481 122.820 0.057 0.000 2.531 65 A HA 0.135 4.448 4.320 -0.012 0.000 0.236 65 A C 1.608 179.223 177.584 0.052 0.000 1.062 65 A CA 0.353 52.419 52.037 0.048 0.000 0.760 65 A CB -0.852 18.174 19.000 0.043 0.000 0.995 65 A HN 0.578 nan 8.150 nan 0.000 0.501 66 T N 1.325 115.904 114.554 0.043 0.000 2.746 66 T HA -0.140 4.202 4.350 -0.012 0.000 0.267 66 T C 1.344 176.068 174.700 0.041 0.000 1.039 66 T CA 1.814 63.939 62.100 0.041 0.000 1.142 66 T CB -0.448 68.439 68.868 0.033 0.000 0.866 66 T HN 0.966 nan 8.240 nan 0.000 0.444 67 D N 1.180 121.601 120.400 0.036 0.000 2.429 67 D HA 0.038 4.671 4.640 -0.012 0.000 0.230 67 D C 1.389 177.709 176.300 0.034 0.000 1.005 67 D CA 0.896 54.915 54.000 0.032 0.000 0.963 67 D CB -1.168 39.650 40.800 0.028 0.000 0.872 67 D HN 0.545 nan 8.370 nan 0.000 0.524 68 G N -1.275 107.549 108.800 0.041 0.000 2.176 68 G HA2 -0.287 3.665 3.960 -0.012 0.000 0.253 68 G HA3 -0.287 3.665 3.960 -0.012 0.000 0.253 68 G C 0.396 175.322 174.900 0.044 0.000 0.979 68 G CA 0.208 45.333 45.100 0.041 0.000 0.641 68 G HN 0.488 nan 8.290 nan 0.000 0.530 69 S N 0.597 116.326 115.700 0.049 0.000 2.568 69 S HA 0.515 4.978 4.470 -0.012 0.000 0.282 69 S C 1.255 175.898 174.600 0.073 0.000 1.338 69 S CA 0.244 58.476 58.200 0.054 0.000 1.045 69 S CB 1.095 64.327 63.200 0.054 0.000 0.873 69 S HN 1.241 nan 8.310 nan 0.000 0.516 70 G N 1.093 109.938 108.800 0.074 0.000 2.651 70 G HA2 0.382 4.335 3.960 -0.012 0.000 0.260 70 G HA3 0.382 4.335 3.960 -0.012 0.000 0.260 70 G C -0.596 174.390 174.900 0.142 0.000 1.216 70 G CA -0.490 44.672 45.100 0.104 0.000 0.913 70 G HN 0.588 nan 8.290 nan 0.000 0.535 71 T N 0.903 115.582 114.554 0.209 0.000 2.753 71 T HA 0.534 4.877 4.350 -0.012 0.000 0.297 71 T C 0.616 175.435 174.700 0.198 0.000 0.981 71 T CA -0.003 62.229 62.100 0.219 0.000 0.956 71 T CB 1.001 70.039 68.868 0.283 0.000 0.936 71 T HN 0.812 nan 8.240 nan 0.000 0.463 72 A N 4.649 127.562 122.820 0.155 0.000 2.511 72 A HA 0.653 4.966 4.320 -0.012 0.000 0.242 72 A C 0.172 177.861 177.584 0.175 0.000 1.069 72 A CA -0.301 51.818 52.037 0.138 0.000 0.763 72 A CB -0.211 18.846 19.000 0.096 0.000 1.001 72 A HN 0.975 nan 8.150 nan 0.000 0.498 73 L N -0.129 121.198 121.223 0.173 0.000 2.720 73 L HA 1.003 5.336 4.340 -0.012 0.000 0.261 73 L C -0.354 176.627 176.870 0.185 0.000 1.046 73 L CA -0.509 54.463 54.840 0.220 0.000 0.886 73 L CB 1.738 43.959 42.059 0.268 0.000 1.493 73 L HN 1.105 nan 8.230 nan 0.000 0.407 74 G N -0.179 108.759 108.800 0.231 0.000 2.673 74 G HA2 0.670 4.623 3.960 -0.012 0.000 0.292 74 G HA3 0.670 4.623 3.960 -0.012 0.000 0.292 74 G C -2.454 172.628 174.900 0.302 0.000 1.450 74 G CA -0.190 44.989 45.100 0.131 0.000 0.837 74 G HN 1.309 nan 8.290 nan 0.000 0.505 75 W N -0.615 120.716 121.300 0.053 0.000 3.005 75 W HA 0.804 5.458 4.660 -0.010 0.000 0.343 75 W C -1.169 175.415 176.519 0.108 0.000 1.243 75 W CA -1.212 56.152 57.345 0.031 0.000 1.186 75 W CB 0.966 30.384 29.460 -0.070 0.000 1.453 75 W HN 0.628 nan 8.180 nan 0.000 0.575 76 T N 1.638 116.374 114.554 0.305 0.000 2.893 76 T HA 0.640 4.983 4.350 -0.012 0.000 0.293 76 T C -1.580 173.234 174.700 0.191 0.000 1.027 76 T CA -0.657 61.540 62.100 0.163 0.000 0.988 76 T CB 1.919 70.825 68.868 0.063 0.000 1.043 76 T HN 0.473 nan 8.240 nan 0.000 0.461 77 V N 1.975 121.918 119.914 0.049 0.000 2.577 77 V HA 0.751 4.864 4.120 -0.012 0.000 0.303 77 V C -0.145 175.667 176.094 -0.470 0.000 1.042 77 V CA -0.967 61.211 62.300 -0.204 0.000 0.872 77 V CB 1.635 33.223 31.823 -0.392 0.000 0.998 77 V HN 1.120 nan 8.190 nan 0.000 0.423 78 A N 4.253 126.869 122.820 -0.339 0.000 2.301 78 A HA 0.766 5.079 4.320 -0.012 0.000 0.298 78 A C -0.470 176.856 177.584 -0.431 0.000 1.185 78 A CA -0.274 51.579 52.037 -0.307 0.000 0.830 78 A CB 0.107 19.060 19.000 -0.078 0.000 1.112 78 A HN 0.684 nan 8.150 nan 0.000 0.508 79 F N 2.047 121.898 119.950 -0.166 0.000 2.666 79 F HA 0.261 4.780 4.527 -0.013 0.000 0.362 79 F C 0.933 176.729 175.800 -0.007 0.000 1.190 79 F CA 0.583 58.340 58.000 -0.405 0.000 1.328 79 F CB -0.016 38.724 39.000 -0.433 0.000 1.682 79 F HN 0.517 nan 8.300 nan 0.000 0.623 80 K N 2.434 123.027 120.400 0.321 0.000 2.471 80 K HA 0.399 4.712 4.320 -0.012 0.000 0.252 80 K C -0.977 175.851 176.600 0.381 0.000 0.938 80 K CA -0.539 55.943 56.287 0.326 0.000 0.796 80 K CB 1.287 33.882 32.500 0.158 0.000 1.161 80 K HN 0.428 nan 8.250 nan 0.000 0.425 81 N N 1.431 120.294 118.700 0.272 0.000 3.506 81 N HA 0.119 4.851 4.740 -0.012 0.000 0.331 81 N C -0.169 175.369 175.510 0.047 0.000 1.631 81 N CA -0.716 52.389 53.050 0.092 0.000 0.786 81 N CB 0.012 38.436 38.487 -0.106 0.000 2.023 81 N HN 0.549 nan 8.380 nan 0.000 0.621 82 N N -1.611 117.060 118.700 -0.049 0.000 2.512 82 N HA 0.013 4.746 4.740 -0.012 0.000 0.183 82 N C 0.212 175.580 175.510 -0.237 0.000 1.073 82 N CA 0.679 53.615 53.050 -0.190 0.000 0.911 82 N CB 0.011 38.281 38.487 -0.362 0.000 0.964 82 N HN 0.358 nan 8.380 nan 0.000 0.447 83 Y N 0.371 120.663 120.300 -0.014 0.000 2.353 83 Y HA 0.257 4.799 4.550 -0.012 0.000 0.294 83 Y C 0.834 176.748 175.900 0.023 0.000 1.135 83 Y CA 0.157 58.256 58.100 -0.001 0.000 1.176 83 Y CB 0.493 38.944 38.460 -0.015 0.000 1.124 83 Y HN -0.163 nan 8.280 nan 0.000 0.537 84 R N -0.108 120.527 120.500 0.226 0.000 2.817 84 R HA 0.399 4.732 4.340 -0.012 0.000 0.268 84 R C -1.681 174.709 176.300 0.150 0.000 1.027 84 R CA -1.030 55.166 56.100 0.159 0.000 0.928 84 R CB 1.357 31.761 30.300 0.173 0.000 1.228 84 R HN -0.109 nan 8.270 nan 0.000 0.469 85 N N -0.041 118.676 118.700 0.029 0.000 2.558 85 N HA 0.286 5.019 4.740 -0.012 0.000 0.285 85 N C -0.742 174.606 175.510 -0.270 0.000 1.112 85 N CA -0.225 52.761 53.050 -0.105 0.000 0.857 85 N CB 2.031 40.378 38.487 -0.234 0.000 1.376 85 N HN 0.748 nan 8.380 nan 0.000 0.526 86 A N 2.179 124.938 122.820 -0.102 0.000 2.251 86 A HA 0.129 4.442 4.320 -0.012 0.000 0.209 86 A C 0.042 177.615 177.584 -0.017 0.000 1.187 86 A CA 0.154 52.142 52.037 -0.082 0.000 0.823 86 A CB -0.531 18.442 19.000 -0.045 0.000 0.846 86 A HN 0.794 nan 8.150 nan 0.000 0.486 87 H N -0.177 118.941 119.070 0.079 0.000 2.692 87 H HA -0.125 4.424 4.556 -0.012 0.000 0.316 87 H C -0.480 174.876 175.328 0.047 0.000 1.176 87 H CA 0.881 56.961 56.048 0.054 0.000 1.142 87 H CB -2.081 27.700 29.762 0.032 0.000 1.475 87 H HN 0.417 nan 8.280 nan 0.000 0.423 88 S N -1.043 114.755 115.700 0.165 0.000 2.556 88 S HA 0.851 5.313 4.470 -0.012 0.000 0.271 88 S C -0.468 174.232 174.600 0.167 0.000 1.135 88 S CA -0.205 58.083 58.200 0.147 0.000 0.858 88 S CB 2.969 66.251 63.200 0.136 0.000 1.114 88 S HN 0.656 nan 8.310 nan 0.000 0.468 89 A N 1.418 124.293 122.820 0.092 0.000 2.414 89 A HA 0.863 5.175 4.320 -0.012 0.000 0.306 89 A C -0.697 176.873 177.584 -0.023 0.000 1.054 89 A CA -0.664 51.369 52.037 -0.007 0.000 0.724 89 A CB 1.499 20.474 19.000 -0.042 0.000 1.267 89 A HN 0.571 nan 8.150 nan 0.000 0.418 90 T N 1.819 116.303 114.554 -0.116 0.000 2.829 90 T HA 0.695 5.038 4.350 -0.012 0.000 0.280 90 T C -0.122 174.348 174.700 -0.385 0.000 0.999 90 T CA -0.191 61.712 62.100 -0.328 0.000 0.983 90 T CB 1.452 69.946 68.868 -0.624 0.000 0.968 90 T HN 0.999 nan 8.240 nan 0.000 0.446 91 T N 0.238 114.557 114.554 -0.393 0.000 2.807 91 T HA 0.597 4.940 4.350 -0.012 0.000 0.279 91 T C -0.961 173.485 174.700 -0.422 0.000 0.993 91 T CA -0.859 61.064 62.100 -0.294 0.000 0.970 91 T CB 1.041 69.818 68.868 -0.151 0.000 0.950 91 T HN 0.567 nan 8.240 nan 0.000 0.441 92 W N 1.949 122.855 121.300 -0.658 0.000 2.429 92 W HA 0.580 5.232 4.660 -0.013 0.000 0.314 92 W C 0.112 176.270 176.519 -0.601 0.000 1.062 92 W CA -0.892 56.023 57.345 -0.716 0.000 1.211 92 W CB 2.130 30.735 29.460 -1.425 0.000 1.305 92 W HN 0.659 nan 8.180 nan 0.000 0.476 93 S N 1.630 117.263 115.700 -0.112 0.000 2.502 93 S HA 0.875 5.338 4.470 -0.012 0.000 0.304 93 S C -0.018 174.584 174.600 0.003 0.000 1.097 93 S CA -0.046 58.117 58.200 -0.061 0.000 1.045 93 S CB 1.507 64.684 63.200 -0.038 0.000 1.019 93 S HN 0.751 nan 8.310 nan 0.000 0.481 94 G N 2.581 111.405 108.800 0.040 0.000 2.450 94 G HA2 0.546 4.499 3.960 -0.012 0.000 0.273 94 G HA3 0.546 4.499 3.960 -0.012 0.000 0.273 94 G C -2.232 172.736 174.900 0.114 0.000 1.221 94 G CA -0.679 44.473 45.100 0.087 0.000 0.900 94 G HN 0.834 nan 8.290 nan 0.000 0.483 95 Q N -1.330 118.551 119.800 0.135 0.000 2.391 95 Q HA 0.569 4.902 4.340 -0.012 0.000 0.279 95 Q C -1.937 174.167 176.000 0.174 0.000 1.028 95 Q CA -1.031 54.864 55.803 0.153 0.000 0.836 95 Q CB 2.531 31.342 28.738 0.122 0.000 1.414 95 Q HN 0.758 nan 8.270 nan 0.000 0.397 96 Y N 1.519 121.855 120.300 0.059 0.000 2.308 96 Y HA 0.563 5.106 4.550 -0.012 0.000 0.329 96 Y C -1.229 174.722 175.900 0.084 0.000 1.111 96 Y CA -0.491 57.636 58.100 0.045 0.000 1.179 96 Y CB 1.335 39.803 38.460 0.012 0.000 1.201 96 Y HN 0.497 nan 8.280 nan 0.000 0.483 97 V N 6.536 126.174 119.914 -0.460 0.000 2.409 97 V HA 0.526 4.639 4.120 -0.012 0.000 0.290 97 V C 0.522 176.231 176.094 -0.642 0.000 1.017 97 V CA -0.649 61.430 62.300 -0.368 0.000 0.841 97 V CB 0.868 32.613 31.823 -0.129 0.000 1.003 97 V HN 1.075 nan 8.190 nan 0.000 0.426 98 G N 2.280 110.769 108.800 -0.518 0.000 2.572 98 G HA2 0.722 4.675 3.960 -0.012 0.000 0.261 98 G HA3 0.722 4.675 3.960 -0.012 0.000 0.261 98 G C 0.225 175.075 174.900 -0.083 0.000 1.197 98 G CA 0.348 45.294 45.100 -0.258 0.000 0.870 98 G HN 1.420 nan 8.290 nan 0.000 0.548 99 G N -1.608 107.187 108.800 -0.008 0.000 2.333 99 G HA2 0.554 4.507 3.960 -0.012 0.000 0.288 99 G HA3 0.554 4.507 3.960 -0.012 0.000 0.288 99 G C 0.696 175.610 174.900 0.023 0.000 1.286 99 G CA 0.346 45.450 45.100 0.007 0.000 0.865 99 G HN 1.339 nan 8.290 nan 0.000 0.506 100 A N -0.758 122.075 122.820 0.021 0.000 1.902 100 A HA 0.244 4.557 4.320 -0.012 0.000 0.217 100 A C 1.123 178.722 177.584 0.026 0.000 1.181 100 A CA 2.034 54.084 52.037 0.022 0.000 0.623 100 A CB -0.276 18.735 19.000 0.019 0.000 0.818 100 A HN 0.519 nan 8.150 nan 0.000 0.443 101 E N 0.409 120.627 120.200 0.031 0.000 2.042 101 E HA 0.505 4.848 4.350 -0.012 0.000 0.260 101 E C -0.488 176.149 176.600 0.061 0.000 0.975 101 E CA -0.582 55.846 56.400 0.047 0.000 0.799 101 E CB 0.689 30.419 29.700 0.050 0.000 1.131 101 E HN 0.504 nan 8.360 nan 0.000 0.423 102 A N 4.357 127.224 122.820 0.079 0.000 2.462 102 A HA 0.375 4.687 4.320 -0.012 0.000 0.243 102 A C 0.165 177.909 177.584 0.266 0.000 1.076 102 A CA -0.069 52.033 52.037 0.108 0.000 0.773 102 A CB 0.347 19.484 19.000 0.228 0.000 1.010 102 A HN 0.758 nan 8.150 nan 0.000 0.493 103 R N 0.917 121.537 120.500 0.199 0.000 2.707 103 R HA 0.720 5.052 4.340 -0.012 0.000 0.272 103 R C -2.046 174.357 176.300 0.171 0.000 1.011 103 R CA -0.799 55.492 56.100 0.317 0.000 0.893 103 R CB 1.158 31.580 30.300 0.204 0.000 1.233 103 R HN 0.456 nan 8.270 nan 0.000 0.464 104 I N 2.575 123.268 120.570 0.205 0.000 2.410 104 I HA 0.297 4.460 4.170 -0.012 0.000 0.286 104 I C -0.886 175.403 176.117 0.286 0.000 1.009 104 I CA -1.093 60.290 61.300 0.139 0.000 1.111 104 I CB 1.894 39.846 38.000 -0.079 0.000 1.262 104 I HN 0.497 nan 8.210 nan 0.000 0.443 105 N N 5.125 123.954 118.700 0.217 0.000 2.426 105 N HA 0.410 5.143 4.740 -0.012 0.000 0.257 105 N C -0.354 175.292 175.510 0.226 0.000 1.002 105 N CA -0.264 52.918 53.050 0.219 0.000 0.942 105 N CB 1.801 40.374 38.487 0.144 0.000 1.112 105 N HN 0.641 nan 8.380 nan 0.000 0.499 106 T N -0.906 113.827 114.554 0.298 0.000 2.906 106 T HA 0.454 4.797 4.350 -0.012 0.000 0.295 106 T C -0.644 174.210 174.700 0.256 0.000 1.061 106 T CA -0.945 61.322 62.100 0.279 0.000 1.000 106 T CB 2.119 71.235 68.868 0.413 0.000 1.103 106 T HN 0.186 nan 8.240 nan 0.000 0.486 107 Q N 1.544 121.420 119.800 0.127 0.000 2.306 107 Q HA 0.477 4.810 4.340 -0.012 0.000 0.265 107 Q C -0.896 175.090 176.000 -0.022 0.000 1.022 107 Q CA -0.808 54.987 55.803 -0.013 0.000 0.853 107 Q CB 2.503 31.188 28.738 -0.088 0.000 1.327 107 Q HN 0.891 nan 8.270 nan 0.000 0.449 108 W N 1.563 122.743 121.300 -0.199 0.000 2.962 108 W HA 0.729 5.386 4.660 -0.005 0.000 0.341 108 W C -2.035 174.278 176.519 -0.344 0.000 1.155 108 W CA -1.033 56.042 57.345 -0.450 0.000 1.165 108 W CB 0.812 29.731 29.460 -0.901 0.000 1.435 108 W HN 0.413 nan 8.180 nan 0.000 0.546 109 L N 3.604 124.831 121.223 0.008 0.000 2.406 109 L HA 0.407 4.739 4.340 -0.012 0.000 0.272 109 L C -1.023 175.869 176.870 0.036 0.000 0.980 109 L CA -0.965 53.879 54.840 0.005 0.000 0.831 109 L CB 1.934 43.949 42.059 -0.073 0.000 1.253 109 L HN 0.282 nan 8.230 nan 0.000 0.406 110 L N 3.200 124.504 121.223 0.134 0.000 2.294 110 L HA 0.605 4.938 4.340 -0.012 0.000 0.283 110 L C -0.459 176.416 176.870 0.008 0.000 1.015 110 L CA 0.262 55.119 54.840 0.028 0.000 0.831 110 L CB 1.585 43.662 42.059 0.030 0.000 1.217 110 L HN 0.481 nan 8.230 nan 0.000 0.420 111 T N 3.222 117.769 114.554 -0.013 0.000 2.779 111 T HA 0.566 4.909 4.350 -0.012 0.000 0.280 111 T C -0.133 174.566 174.700 -0.001 0.000 0.987 111 T CA -0.416 61.675 62.100 -0.015 0.000 0.966 111 T CB 1.165 70.021 68.868 -0.020 0.000 0.933 111 T HN 0.619 nan 8.240 nan 0.000 0.442 112 S N 1.519 117.212 115.700 -0.012 0.000 2.549 112 S HA 0.642 5.105 4.470 -0.012 0.000 0.297 112 S C 0.758 175.355 174.600 -0.005 0.000 1.115 112 S CA -0.875 57.328 58.200 0.004 0.000 1.059 112 S CB 1.357 64.548 63.200 -0.015 0.000 1.046 112 S HN 0.915 nan 8.310 nan 0.000 0.506 113 G N 2.210 111.020 108.800 0.017 0.000 2.334 113 G HA2 0.426 4.378 3.960 -0.012 0.000 0.261 113 G HA3 0.426 4.378 3.960 -0.012 0.000 0.261 113 G C 0.119 174.997 174.900 -0.035 0.000 1.257 113 G CA -0.177 44.914 45.100 -0.015 0.000 0.935 113 G HN 0.678 nan 8.290 nan 0.000 0.480 114 T N -0.572 113.955 114.554 -0.047 0.000 2.916 114 T HA 0.725 5.068 4.350 -0.012 0.000 0.292 114 T C 0.645 175.322 174.700 -0.039 0.000 1.064 114 T CA -0.156 61.911 62.100 -0.055 0.000 1.011 114 T CB 1.579 70.397 68.868 -0.084 0.000 1.152 114 T HN 0.742 nan 8.240 nan 0.000 0.510 115 T N -0.584 113.952 114.554 -0.030 0.000 2.698 115 T HA 0.291 4.634 4.350 -0.012 0.000 0.295 115 T C 1.121 175.823 174.700 0.003 0.000 1.007 115 T CA -0.296 61.797 62.100 -0.012 0.000 0.980 115 T CB 0.247 69.114 68.868 -0.002 0.000 1.036 115 T HN 0.747 nan 8.240 nan 0.000 0.526 116 E N 0.376 120.587 120.200 0.018 0.000 2.072 116 E HA -0.064 4.279 4.350 -0.012 0.000 0.191 116 E C 2.443 179.087 176.600 0.072 0.000 0.985 116 E CA 1.037 57.458 56.400 0.035 0.000 0.801 116 E CB -0.444 29.274 29.700 0.030 0.000 0.750 116 E HN 0.787 nan 8.360 nan 0.000 0.452 117 A N 0.870 123.739 122.820 0.082 0.000 2.121 117 A HA -0.115 4.198 4.320 -0.012 0.000 0.218 117 A C 1.511 179.235 177.584 0.232 0.000 1.154 117 A CA 1.127 53.247 52.037 0.139 0.000 0.679 117 A CB -0.074 18.988 19.000 0.104 0.000 0.795 117 A HN 0.107 nan 8.150 nan 0.000 0.458 118 N N -1.092 117.669 118.700 0.102 0.000 2.184 118 N HA 0.263 4.996 4.740 -0.012 0.000 0.206 118 N C 1.404 176.780 175.510 -0.223 0.000 1.151 118 N CA 0.714 53.728 53.050 -0.061 0.000 0.878 118 N CB 0.134 38.566 38.487 -0.092 0.000 1.014 118 N HN 0.338 nan 8.380 nan 0.000 0.512 119 A N 1.097 123.898 122.820 -0.031 0.000 2.024 119 A HA -0.140 4.173 4.320 -0.012 0.000 0.220 119 A C 1.824 179.376 177.584 -0.054 0.000 1.164 119 A CA 1.077 53.091 52.037 -0.040 0.000 0.643 119 A CB -0.956 18.065 19.000 0.034 0.000 0.806 119 A HN 0.644 nan 8.150 nan 0.000 0.451 120 W N 1.108 122.403 121.300 -0.008 0.000 2.421 120 W HA -0.105 4.547 4.660 -0.014 0.000 0.270 120 W C 0.640 177.153 176.519 -0.010 0.000 1.233 120 W CA 1.154 58.493 57.345 -0.010 0.000 1.226 120 W CB -0.504 28.950 29.460 -0.010 0.000 1.121 120 W HN 0.505 nan 8.180 nan 0.000 0.579 121 K N 1.217 121.068 120.400 -0.916 0.000 2.699 121 K HA 0.260 4.572 4.320 -0.012 0.000 0.210 121 K C 1.240 177.595 176.600 -0.410 0.000 1.076 121 K CA 0.539 56.341 56.287 -0.810 0.000 1.109 121 K CB 0.074 31.745 32.500 -1.380 0.000 0.862 121 K HN -0.027 nan 8.250 nan 0.000 0.470 122 S N -0.536 115.014 115.700 -0.251 0.000 2.478 122 S HA 0.006 4.469 4.470 -0.012 0.000 0.222 122 S C 0.476 175.018 174.600 -0.096 0.000 1.008 122 S CA -0.016 58.093 58.200 -0.152 0.000 0.928 122 S CB -0.088 63.052 63.200 -0.100 0.000 0.781 122 S HN 0.191 nan 8.310 nan 0.000 0.518 123 T N 2.617 117.121 114.554 -0.084 0.000 2.840 123 T HA 0.577 4.920 4.350 -0.012 0.000 0.287 123 T C -0.651 174.023 174.700 -0.042 0.000 0.991 123 T CA -0.592 61.479 62.100 -0.049 0.000 0.964 123 T CB 1.474 70.318 68.868 -0.040 0.000 0.954 123 T HN 0.187 nan 8.240 nan 0.000 0.438 124 L N 2.920 124.141 121.223 -0.003 0.000 2.357 124 L HA 0.784 5.117 4.340 -0.012 0.000 0.273 124 L C -0.033 176.791 176.870 -0.078 0.000 1.080 124 L CA -0.903 53.944 54.840 0.010 0.000 0.803 124 L CB 1.418 43.566 42.059 0.147 0.000 1.174 124 L HN 0.340 nan 8.230 nan 0.000 0.443 125 V N 1.486 121.232 119.914 -0.280 0.000 2.823 125 V HA 0.997 5.109 4.120 -0.012 0.000 0.312 125 V C -0.209 175.280 176.094 -1.008 0.000 1.072 125 V CA 0.110 62.057 62.300 -0.587 0.000 0.937 125 V CB 1.931 33.547 31.823 -0.345 0.000 1.013 125 V HN 0.865 nan 8.190 nan 0.000 0.430 126 G N 3.373 111.173 108.800 -1.666 0.000 2.548 126 G HA2 0.643 4.596 3.960 -0.012 0.000 0.301 126 G HA3 0.643 4.596 3.960 -0.012 0.000 0.301 126 G C -1.690 172.475 174.900 -1.225 0.000 1.349 126 G CA -0.226 43.919 45.100 -1.591 0.000 0.792 126 G HN 1.624 nan 8.290 nan 0.000 0.481 127 H N -1.321 117.439 119.070 -0.515 0.000 2.759 127 H HA 0.770 5.323 4.556 -0.005 0.000 0.354 127 H C -1.887 173.637 175.328 0.325 0.000 1.074 127 H CA -0.919 55.080 56.048 -0.082 0.000 1.226 127 H CB 2.562 32.285 29.762 -0.064 0.000 1.648 127 H HN 0.270 nan 8.280 nan 0.000 0.529 128 D N 2.245 122.946 120.400 0.502 0.000 2.350 128 D HA 0.351 4.984 4.640 -0.012 0.000 0.245 128 D C -0.552 175.879 176.300 0.218 0.000 1.036 128 D CA -0.473 53.721 54.000 0.324 0.000 0.848 128 D CB 2.380 43.454 40.800 0.456 0.000 1.307 128 D HN 0.630 nan 8.370 nan 0.000 0.469 129 T N 2.126 116.698 114.554 0.030 0.000 2.786 129 T HA 0.462 4.804 4.350 -0.012 0.000 0.283 129 T C -0.472 174.208 174.700 -0.032 0.000 0.992 129 T CA -0.400 61.763 62.100 0.105 0.000 0.954 129 T CB 0.234 69.188 68.868 0.143 0.000 0.934 129 T HN 0.057 nan 8.240 nan 0.000 0.440 130 F N 1.409 121.519 119.950 0.266 0.000 2.458 130 F HA 0.706 5.225 4.527 -0.013 0.000 0.330 130 F C 0.953 177.051 175.800 0.498 0.000 1.082 130 F CA -0.566 57.651 58.000 0.362 0.000 0.995 130 F CB 2.218 41.407 39.000 0.315 0.000 1.170 130 F HN 0.352 nan 8.300 nan 0.000 0.478 131 T N 1.042 116.049 114.554 0.755 0.000 2.894 131 T HA 0.249 4.592 4.350 -0.012 0.000 0.309 131 T C 0.312 175.268 174.700 0.427 0.000 1.208 131 T CA -0.770 61.675 62.100 0.576 0.000 1.016 131 T CB 1.568 70.639 68.868 0.337 0.000 1.192 131 T HN 0.555 nan 8.240 nan 0.000 0.491 132 K N 1.129 121.583 120.400 0.091 0.000 2.487 132 K HA 0.204 4.517 4.320 -0.012 0.000 0.192 132 K C 0.172 176.836 176.600 0.107 0.000 1.027 132 K CA 0.352 56.549 56.287 -0.150 0.000 1.054 132 K CB 0.333 32.575 32.500 -0.430 0.000 0.824 132 K HN 0.292 nan 8.250 nan 0.000 0.510 133 V N 1.912 121.919 119.914 0.155 0.000 2.435 133 V HA 0.209 4.322 4.120 -0.012 0.000 0.290 133 V C -0.061 176.036 176.094 0.004 0.000 1.030 133 V CA -1.142 61.200 62.300 0.070 0.000 0.881 133 V CB 1.737 33.576 31.823 0.026 0.000 0.983 133 V HN 0.027 nan 8.190 nan 0.000 0.445 134 K N 4.804 125.023 120.400 -0.302 0.000 2.205 134 K HA 0.493 4.806 4.320 -0.012 0.000 0.279 134 K C -2.118 174.342 176.600 -0.233 0.000 1.027 134 K CA -1.097 54.857 56.287 -0.555 0.000 0.932 134 K CB 0.894 32.740 32.500 -1.091 0.000 1.032 134 K HN 0.521 nan 8.250 nan 0.000 0.466 135 P HA 0.000 nan 4.420 nan 0.000 0.216 135 P CA 0.000 63.058 63.100 -0.069 0.000 0.800 135 P CB 0.000 31.688 31.700 -0.020 0.000 0.726