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 1swo_1_B DATA FIRST_RESID 16 DATA SEQUENCE GITGTWYNQL GSTFIVTAGA DGALTGTYES XXXNAESRYV LTGRYDSAPA DATA SEQUENCE TDGSGTALGW TVAWKNNYRN AHSATTWSGQ YVGGAEARIN TQWLLTSGTT DATA SEQUENCE EANAFKSTLV GHDTFTKV 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 3.962 3.960 0.003 0.000 0.244 16 G C 0.000 174.852 174.900 -0.080 0.000 0.946 16 G CA 0.000 45.099 45.100 -0.002 0.000 0.502 17 I N 1.911 122.270 120.570 -0.352 0.000 2.333 17 I HA 0.039 4.210 4.170 0.003 0.000 0.246 17 I C 1.292 177.420 176.117 0.019 0.000 1.106 17 I CA 0.897 62.091 61.300 -0.177 0.000 1.411 17 I CB -0.277 37.389 38.000 -0.557 0.000 1.082 17 I HN -0.039 nan 8.210 nan 0.000 0.420 18 T N 1.900 116.374 114.554 -0.133 0.000 2.871 18 T HA 0.377 4.728 4.350 0.003 0.000 0.296 18 T C 0.318 174.932 174.700 -0.143 0.000 0.998 18 T CA 0.933 62.958 62.100 -0.124 0.000 1.162 18 T CB 0.366 69.159 68.868 -0.125 0.000 0.947 18 T HN 0.697 nan 8.240 nan 0.000 0.536 19 G N 2.781 111.475 108.800 -0.177 0.000 2.320 19 G HA2 0.211 4.173 3.960 0.003 0.000 0.274 19 G HA3 0.211 4.173 3.960 0.003 0.000 0.274 19 G C -0.911 173.746 174.900 -0.404 0.000 1.324 19 G CA -0.892 44.027 45.100 -0.301 0.000 0.957 19 G HN 0.665 nan 8.290 nan 0.000 0.481 20 T N 0.795 115.016 114.554 -0.555 0.000 2.771 20 T HA 0.605 4.956 4.350 0.003 0.000 0.281 20 T C -1.149 173.014 174.700 -0.896 0.000 0.982 20 T CA 0.190 61.917 62.100 -0.621 0.000 0.978 20 T CB 0.834 69.426 68.868 -0.459 0.000 0.930 20 T HN 0.449 nan 8.240 nan 0.000 0.447 21 W N 2.156 122.889 121.300 -0.945 0.000 2.761 21 W HA 0.643 5.305 4.660 0.004 0.000 0.340 21 W C -1.112 175.063 176.519 -0.574 0.000 1.072 21 W CA -0.900 56.012 57.345 -0.721 0.000 1.215 21 W CB 1.247 30.139 29.460 -0.947 0.000 1.420 21 W HN 0.567 nan 8.180 nan 0.000 0.519 22 Y N 2.423 122.928 120.300 0.342 0.000 2.425 22 Y HA 0.327 4.879 4.550 0.002 0.000 0.344 22 Y C 0.453 176.536 175.900 0.306 0.000 0.969 22 Y CA -1.283 56.989 58.100 0.288 0.000 1.052 22 Y CB 1.283 39.815 38.460 0.121 0.000 1.215 22 Y HN 0.417 nan 8.280 nan 0.000 0.451 23 N N 0.866 119.745 118.700 0.299 0.000 2.604 23 N HA 0.115 4.857 4.740 0.003 0.000 0.297 23 N C 0.566 176.125 175.510 0.082 0.000 1.266 23 N CA -0.731 52.306 53.050 -0.022 0.000 0.961 23 N CB 0.559 38.830 38.487 -0.360 0.000 1.166 23 N HN 0.686 nan 8.380 nan 0.000 0.601 24 Q N -0.323 119.499 119.800 0.037 0.000 2.245 24 Q HA 0.042 4.384 4.340 0.003 0.000 0.201 24 Q C 1.116 177.153 176.000 0.061 0.000 0.955 24 Q CA 1.056 56.893 55.803 0.055 0.000 0.870 24 Q CB -0.433 28.334 28.738 0.049 0.000 0.945 24 Q HN 0.641 nan 8.270 nan 0.000 0.461 25 L N 0.681 121.944 121.223 0.068 0.000 2.682 25 L HA 0.245 4.587 4.340 0.003 0.000 0.240 25 L C 1.229 178.156 176.870 0.094 0.000 1.178 25 L CA 0.350 55.234 54.840 0.074 0.000 0.970 25 L CB -0.537 41.566 42.059 0.074 0.000 1.179 25 L HN 0.448 nan 8.230 nan 0.000 0.435 26 G N -1.183 107.682 108.800 0.108 0.000 2.579 26 G HA2 -0.320 3.641 3.960 0.003 0.000 0.222 26 G HA3 -0.320 3.641 3.960 0.003 0.000 0.222 26 G C 0.583 175.588 174.900 0.175 0.000 1.201 26 G CA 0.175 45.349 45.100 0.123 0.000 0.710 26 G HN 0.338 nan 8.290 nan 0.000 0.516 27 S N 1.378 117.182 115.700 0.174 0.000 2.536 27 S HA 0.408 4.880 4.470 0.003 0.000 0.290 27 S C 0.377 175.052 174.600 0.125 0.000 1.302 27 S CA 1.346 59.642 58.200 0.160 0.000 1.037 27 S CB 0.494 63.852 63.200 0.262 0.000 0.804 27 S HN 0.894 nan 8.310 nan 0.000 0.506 28 T N 3.326 117.834 114.554 -0.075 0.000 2.912 28 T HA 0.607 4.959 4.350 0.003 0.000 0.299 28 T C -0.976 173.549 174.700 -0.291 0.000 1.052 28 T CA -0.523 61.489 62.100 -0.146 0.000 0.996 28 T CB 0.987 69.788 68.868 -0.112 0.000 1.070 28 T HN 0.494 nan 8.240 nan 0.000 0.465 29 F N 1.720 121.418 119.950 -0.420 0.000 2.561 29 F HA 0.808 5.337 4.527 0.004 0.000 0.313 29 F C -1.838 173.777 175.800 -0.308 0.000 1.126 29 F CA -1.377 56.369 58.000 -0.424 0.000 0.918 29 F CB 1.004 39.678 39.000 -0.543 0.000 1.199 29 F HN 0.424 nan 8.300 nan 0.000 0.444 30 I N 6.149 126.630 120.570 -0.147 0.000 2.355 30 I HA 0.538 4.710 4.170 0.003 0.000 0.288 30 I C -0.751 175.307 176.117 -0.099 0.000 0.999 30 I CA -1.144 60.040 61.300 -0.193 0.000 1.163 30 I CB 1.643 39.556 38.000 -0.145 0.000 1.316 30 I HN 0.642 nan 8.210 nan 0.000 0.454 31 V N 2.077 121.910 119.914 -0.136 0.000 2.864 31 V HA 0.631 4.753 4.120 0.003 0.000 0.314 31 V C -0.118 175.905 176.094 -0.118 0.000 1.073 31 V CA -0.541 61.696 62.300 -0.105 0.000 0.956 31 V CB 1.792 33.544 31.823 -0.118 0.000 1.023 31 V HN 0.634 nan 8.190 nan 0.000 0.435 32 T N 2.777 117.268 114.554 -0.106 0.000 2.786 32 T HA 0.681 5.033 4.350 0.003 0.000 0.283 32 T C 0.056 174.693 174.700 -0.106 0.000 0.992 32 T CA -0.011 62.031 62.100 -0.097 0.000 0.954 32 T CB 1.335 70.165 68.868 -0.062 0.000 0.934 32 T HN 1.211 nan 8.240 nan 0.000 0.440 33 A N 3.294 126.019 122.820 -0.159 0.000 2.391 33 A HA 0.674 4.996 4.320 0.003 0.000 0.316 33 A C 0.937 178.537 177.584 0.026 0.000 1.381 33 A CA -0.603 51.307 52.037 -0.211 0.000 0.998 33 A CB -0.222 18.396 19.000 -0.636 0.000 1.147 33 A HN 0.904 nan 8.150 nan 0.000 0.545 34 G N 0.541 109.427 108.800 0.143 0.000 2.599 34 G HA2 0.454 4.416 3.960 0.003 0.000 0.264 34 G HA3 0.454 4.416 3.960 0.003 0.000 0.264 34 G C 1.173 176.180 174.900 0.177 0.000 1.200 34 G CA 0.068 45.240 45.100 0.120 0.000 0.896 34 G HN 1.194 nan 8.290 nan 0.000 0.536 35 A N -0.214 122.662 122.820 0.095 0.000 1.884 35 A HA -0.134 4.187 4.320 0.003 0.000 0.219 35 A C 1.553 179.149 177.584 0.021 0.000 1.197 35 A CA 1.956 54.032 52.037 0.064 0.000 0.637 35 A CB -0.325 18.694 19.000 0.032 0.000 0.827 35 A HN 0.626 nan 8.150 nan 0.000 0.450 36 D N -1.194 119.207 120.400 0.002 0.000 2.638 36 D HA 0.352 4.994 4.640 0.003 0.000 0.245 36 D C 1.079 177.327 176.300 -0.087 0.000 1.176 36 D CA 0.458 54.427 54.000 -0.051 0.000 0.996 36 D CB -0.525 40.256 40.800 -0.031 0.000 1.012 36 D HN 0.562 nan 8.370 nan 0.000 0.515 37 G N 2.397 111.059 108.800 -0.231 0.000 2.216 37 G HA2 -0.327 3.635 3.960 0.003 0.000 0.269 37 G HA3 -0.327 3.635 3.960 0.003 0.000 0.269 37 G C 0.619 175.513 174.900 -0.010 0.000 0.981 37 G CA 0.509 45.346 45.100 -0.439 0.000 0.658 37 G HN 0.763 nan 8.290 nan 0.000 0.539 38 A N -0.704 122.189 122.820 0.121 0.000 2.371 38 A HA 0.725 5.046 4.320 0.003 0.000 0.257 38 A C -0.218 177.500 177.584 0.222 0.000 1.089 38 A CA 0.094 52.219 52.037 0.147 0.000 0.794 38 A CB 0.861 19.907 19.000 0.077 0.000 1.029 38 A HN 0.943 nan 8.150 nan 0.000 0.488 39 L N 1.932 123.235 121.223 0.134 0.000 2.376 39 L HA 0.633 4.974 4.340 0.003 0.000 0.275 39 L C 0.193 177.057 176.870 -0.010 0.000 0.987 39 L CA 0.390 55.251 54.840 0.035 0.000 0.828 39 L CB 1.972 44.048 42.059 0.028 0.000 1.249 39 L HN 0.939 nan 8.230 nan 0.000 0.409 40 T N 0.400 114.929 114.554 -0.043 0.000 2.909 40 T HA 1.003 5.355 4.350 0.003 0.000 0.299 40 T C -0.242 174.420 174.700 -0.064 0.000 1.073 40 T CA -0.242 61.834 62.100 -0.041 0.000 0.999 40 T CB 2.242 71.100 68.868 -0.017 0.000 1.098 40 T HN 0.931 nan 8.240 nan 0.000 0.477 41 G N 0.791 109.556 108.800 -0.057 0.000 2.356 41 G HA2 0.601 4.563 3.960 0.003 0.000 0.281 41 G HA3 0.601 4.563 3.960 0.003 0.000 0.281 41 G C -0.847 174.040 174.900 -0.021 0.000 1.246 41 G CA -0.091 44.980 45.100 -0.049 0.000 0.889 41 G HN 1.535 nan 8.290 nan 0.000 0.486 42 T N -2.750 111.806 114.554 0.004 0.000 2.906 42 T HA 0.703 5.055 4.350 0.003 0.000 0.295 42 T C -1.696 173.076 174.700 0.121 0.000 1.075 42 T CA -0.648 61.487 62.100 0.060 0.000 1.005 42 T CB 2.413 71.310 68.868 0.049 0.000 1.136 42 T HN 1.018 nan 8.240 nan 0.000 0.498 43 Y N 0.890 121.234 120.300 0.073 0.000 2.376 43 Y HA 0.626 5.178 4.550 0.004 0.000 0.340 43 Y C -0.330 175.737 175.900 0.279 0.000 0.965 43 Y CA -0.572 57.624 58.100 0.160 0.000 1.078 43 Y CB 1.826 40.366 38.460 0.133 0.000 1.193 43 Y HN 1.066 nan 8.280 nan 0.000 0.452 44 E N 2.402 122.686 120.200 0.140 0.000 2.367 44 E HA 0.722 5.074 4.350 0.003 0.000 0.273 44 E C -1.616 175.090 176.600 0.177 0.000 0.903 44 E CA -0.624 55.900 56.400 0.208 0.000 0.764 44 E CB 1.878 31.630 29.700 0.086 0.000 1.252 44 E HN 0.483 nan 8.360 nan 0.000 0.446 50 A N 0.860 123.592 122.820 -0.148 0.000 1.958 50 A HA -0.222 4.100 4.320 0.003 0.000 0.221 50 A C 1.564 178.975 177.584 -0.289 0.000 1.178 50 A CA 2.124 54.039 52.037 -0.205 0.000 0.642 50 A CB -0.705 18.126 19.000 -0.282 0.000 0.816 50 A HN 0.779 nan 8.150 nan 0.000 0.453 51 E N -0.337 119.663 120.200 -0.334 0.000 2.418 51 E HA 0.014 4.365 4.350 0.003 0.000 0.197 51 E C 1.451 177.973 176.600 -0.130 0.000 1.026 51 E CA 0.925 57.167 56.400 -0.263 0.000 0.862 51 E CB 0.039 29.623 29.700 -0.193 0.000 0.799 51 E HN 0.468 nan 8.360 nan 0.000 0.518 52 S N -0.235 115.404 115.700 -0.103 0.000 2.568 52 S HA 0.231 4.702 4.470 0.003 0.000 0.232 52 S C 0.142 174.727 174.600 -0.024 0.000 0.975 52 S CA -0.276 57.934 58.200 0.017 0.000 0.949 52 S CB 0.321 63.589 63.200 0.113 0.000 0.829 52 S HN 0.060 nan 8.310 nan 0.000 0.479 53 R N 0.868 121.232 120.500 -0.227 0.000 2.407 53 R HA 0.558 4.900 4.340 0.003 0.000 0.303 53 R C -1.516 174.602 176.300 -0.304 0.000 0.981 53 R CA -0.290 55.754 56.100 -0.094 0.000 0.905 53 R CB 1.048 31.330 30.300 -0.030 0.000 1.099 53 R HN 0.207 nan 8.270 nan 0.000 0.459 54 Y N -0.110 120.299 120.300 0.183 0.000 2.553 54 Y HA 0.277 4.830 4.550 0.005 0.000 0.347 54 Y C 0.058 175.977 175.900 0.032 0.000 1.019 54 Y CA -1.118 57.037 58.100 0.093 0.000 1.032 54 Y CB 1.480 39.956 38.460 0.027 0.000 1.284 54 Y HN 0.165 nan 8.280 nan 0.000 0.466 55 V N 4.107 124.102 119.914 0.135 0.000 2.637 55 V HA 0.213 4.335 4.120 0.003 0.000 0.296 55 V C -0.208 175.894 176.094 0.014 0.000 1.046 55 V CA -0.229 62.104 62.300 0.056 0.000 1.066 55 V CB 0.475 32.316 31.823 0.030 0.000 0.968 55 V HN 0.569 nan 8.190 nan 0.000 0.483 56 L N 3.105 124.325 121.223 -0.004 0.000 2.354 56 L HA 1.006 5.347 4.340 0.003 0.000 0.269 56 L C -0.404 176.453 176.870 -0.022 0.000 1.005 56 L CA -0.114 54.709 54.840 -0.029 0.000 0.819 56 L CB 2.269 44.258 42.059 -0.117 0.000 1.311 56 L HN 0.538 nan 8.230 nan 0.000 0.423 57 T N 0.734 115.302 114.554 0.024 0.000 2.923 57 T HA 0.878 5.229 4.350 0.003 0.000 0.311 57 T C -0.521 174.242 174.700 0.105 0.000 1.183 57 T CA 0.131 62.253 62.100 0.036 0.000 1.020 57 T CB 1.429 70.313 68.868 0.027 0.000 1.165 57 T HN 1.325 nan 8.240 nan 0.000 0.482 58 G N 2.577 111.441 108.800 0.106 0.000 2.634 58 G HA2 0.737 4.698 3.960 0.003 0.000 0.309 58 G HA3 0.737 4.698 3.960 0.003 0.000 0.309 58 G C -2.021 172.967 174.900 0.146 0.000 1.299 58 G CA -0.767 44.433 45.100 0.167 0.000 0.798 58 G HN 0.700 nan 8.290 nan 0.000 0.490 59 R N -1.036 119.574 120.500 0.182 0.000 2.668 59 R HA 0.545 4.887 4.340 0.003 0.000 0.272 59 R C -1.754 174.701 176.300 0.259 0.000 1.019 59 R CA -0.641 55.564 56.100 0.176 0.000 0.894 59 R CB 1.770 32.121 30.300 0.085 0.000 1.228 59 R HN 0.898 nan 8.270 nan 0.000 0.460 60 Y N -2.022 118.304 120.300 0.044 0.000 2.588 60 Y HA 0.446 4.997 4.550 0.002 0.000 0.343 60 Y C -0.793 175.127 175.900 0.035 0.000 1.065 60 Y CA -1.654 56.474 58.100 0.046 0.000 1.038 60 Y CB 1.099 39.576 38.460 0.029 0.000 1.297 60 Y HN 0.442 nan 8.280 nan 0.000 0.467 61 D N 1.540 121.913 120.400 -0.045 0.000 2.342 61 D HA 0.107 4.749 4.640 0.003 0.000 0.260 61 D C 0.758 176.927 176.300 -0.218 0.000 1.278 61 D CA 0.543 54.472 54.000 -0.118 0.000 0.910 61 D CB 0.829 41.645 40.800 0.027 0.000 1.079 61 D HN 0.692 nan 8.370 nan 0.000 0.496 62 S N 2.359 117.816 115.700 -0.405 0.000 2.607 62 S HA 0.202 4.674 4.470 0.003 0.000 0.224 62 S C 0.772 175.332 174.600 -0.067 0.000 0.969 62 S CA -0.055 57.959 58.200 -0.310 0.000 0.927 62 S CB 0.192 63.179 63.200 -0.354 0.000 0.772 62 S HN 0.470 nan 8.310 nan 0.000 0.533 63 A N 2.140 124.940 122.820 -0.034 0.000 3.300 63 A HA 0.585 4.907 4.320 0.003 0.000 0.300 63 A C -2.715 174.887 177.584 0.030 0.000 1.099 63 A CA -1.200 50.843 52.037 0.009 0.000 0.846 63 A CB 0.441 19.439 19.000 -0.004 0.000 1.255 63 A HN 0.359 nan 8.150 nan 0.000 0.519 64 P HA 0.443 nan 4.420 nan 0.000 0.274 64 P C 0.577 177.914 177.300 0.061 0.000 1.260 64 P CA -0.012 63.133 63.100 0.074 0.000 0.793 64 P CB 0.675 32.446 31.700 0.118 0.000 1.048 65 A N 0.537 123.391 122.820 0.057 0.000 2.409 65 A HA 0.340 4.662 4.320 0.003 0.000 0.246 65 A C 1.010 178.627 177.584 0.054 0.000 1.099 65 A CA 0.673 52.739 52.037 0.048 0.000 0.789 65 A CB -0.723 18.302 19.000 0.042 0.000 1.053 65 A HN 0.645 nan 8.150 nan 0.000 0.503 66 T N -2.494 112.087 114.554 0.045 0.000 3.091 66 T HA 0.150 4.501 4.350 0.003 0.000 0.277 66 T C 0.277 175.000 174.700 0.037 0.000 0.996 66 T CA 0.485 62.611 62.100 0.044 0.000 0.897 66 T CB -0.079 68.813 68.868 0.039 0.000 1.109 66 T HN 0.692 nan 8.240 nan 0.000 0.534 67 D N 1.803 122.224 120.400 0.034 0.000 2.363 67 D HA 0.201 4.843 4.640 0.003 0.000 0.220 67 D C 1.718 178.035 176.300 0.028 0.000 0.994 67 D CA 0.779 54.796 54.000 0.028 0.000 0.890 67 D CB -0.675 40.141 40.800 0.026 0.000 0.906 67 D HN 0.593 nan 8.370 nan 0.000 0.530 68 G N -0.872 107.948 108.800 0.033 0.000 2.168 68 G HA2 -0.219 3.742 3.960 0.003 0.000 0.197 68 G HA3 -0.219 3.742 3.960 0.003 0.000 0.197 68 G C 0.248 175.167 174.900 0.032 0.000 0.997 68 G CA 0.059 45.177 45.100 0.030 0.000 0.658 68 G HN 0.390 nan 8.290 nan 0.000 0.513 69 S N 0.238 115.962 115.700 0.040 0.000 2.603 69 S HA 0.599 5.070 4.470 0.003 0.000 0.268 69 S C 1.156 175.790 174.600 0.057 0.000 1.317 69 S CA 0.216 58.443 58.200 0.044 0.000 1.012 69 S CB 1.302 64.529 63.200 0.046 0.000 0.926 69 S HN 1.195 nan 8.310 nan 0.000 0.539 70 G N 0.566 109.401 108.800 0.057 0.000 2.588 70 G HA2 0.422 4.383 3.960 0.003 0.000 0.281 70 G HA3 0.422 4.383 3.960 0.003 0.000 0.281 70 G C -0.692 174.288 174.900 0.134 0.000 1.236 70 G CA -0.501 44.646 45.100 0.078 0.000 0.969 70 G HN 0.575 nan 8.290 nan 0.000 0.504 71 T N 0.876 115.559 114.554 0.215 0.000 2.738 71 T HA 0.533 4.884 4.350 0.003 0.000 0.298 71 T C 0.591 175.427 174.700 0.226 0.000 0.962 71 T CA -0.020 62.230 62.100 0.251 0.000 0.972 71 T CB 1.022 70.112 68.868 0.370 0.000 0.928 71 T HN 0.795 nan 8.240 nan 0.000 0.474 72 A N 4.214 127.137 122.820 0.172 0.000 2.477 72 A HA 0.631 4.952 4.320 0.003 0.000 0.246 72 A C -0.115 177.585 177.584 0.194 0.000 1.078 72 A CA -0.250 51.880 52.037 0.154 0.000 0.770 72 A CB -0.374 18.689 19.000 0.106 0.000 1.011 72 A HN 0.808 nan 8.150 nan 0.000 0.494 73 L N -0.279 121.064 121.223 0.199 0.000 2.630 73 L HA 1.052 5.393 4.340 0.003 0.000 0.258 73 L C -0.027 176.971 176.870 0.214 0.000 1.072 73 L CA -0.152 54.834 54.840 0.243 0.000 0.885 73 L CB 1.176 43.406 42.059 0.285 0.000 1.502 73 L HN 1.132 nan 8.230 nan 0.000 0.406 74 G N -1.605 107.350 108.800 0.259 0.000 2.632 74 G HA2 0.648 4.609 3.960 0.003 0.000 0.292 74 G HA3 0.648 4.609 3.960 0.003 0.000 0.292 74 G C -2.540 172.561 174.900 0.336 0.000 1.465 74 G CA -0.098 45.119 45.100 0.194 0.000 0.824 74 G HN 1.456 nan 8.290 nan 0.000 0.509 75 W N -0.616 120.708 121.300 0.040 0.000 3.066 75 W HA 0.782 5.445 4.660 0.006 0.000 0.330 75 W C -1.210 175.370 176.519 0.102 0.000 1.253 75 W CA -1.197 56.144 57.345 -0.007 0.000 1.187 75 W CB 0.945 30.302 29.460 -0.171 0.000 1.434 75 W HN 0.621 nan 8.180 nan 0.000 0.572 76 T N 1.841 116.543 114.554 0.248 0.000 2.876 76 T HA 0.622 4.974 4.350 0.003 0.000 0.289 76 T C -1.515 173.243 174.700 0.097 0.000 1.014 76 T CA -0.657 61.514 62.100 0.119 0.000 0.986 76 T CB 1.846 70.731 68.868 0.027 0.000 1.021 76 T HN 0.455 nan 8.240 nan 0.000 0.458 77 V N 2.314 122.194 119.914 -0.057 0.000 2.443 77 V HA 0.692 4.813 4.120 0.003 0.000 0.293 77 V C -0.001 175.669 176.094 -0.706 0.000 1.021 77 V CA -0.986 61.056 62.300 -0.429 0.000 0.848 77 V CB 1.468 32.799 31.823 -0.820 0.000 0.998 77 V HN 1.113 nan 8.190 nan 0.000 0.424 78 A N 4.460 126.993 122.820 -0.479 0.000 2.309 78 A HA 0.511 4.833 4.320 0.003 0.000 0.290 78 A C -0.433 176.878 177.584 -0.454 0.000 1.206 78 A CA -0.354 51.452 52.037 -0.386 0.000 0.850 78 A CB 0.082 18.997 19.000 -0.140 0.000 1.118 78 A HN 0.924 nan 8.150 nan 0.000 0.523 79 W N 2.889 124.082 121.300 -0.177 0.000 1.564 79 W HA 0.316 4.978 4.660 0.003 0.000 0.448 79 W C 0.797 177.312 176.519 -0.006 0.000 0.601 79 W CA -0.052 57.093 57.345 -0.335 0.000 2.326 79 W CB 0.089 29.282 29.460 -0.444 0.000 1.355 79 W HN 0.616 nan 8.180 nan 0.000 0.382 80 K N 2.697 123.262 120.400 0.274 0.000 2.397 80 K HA 0.303 4.624 4.320 0.003 0.000 0.253 80 K C -0.374 176.405 176.600 0.298 0.000 0.932 80 K CA -0.537 55.901 56.287 0.251 0.000 0.795 80 K CB 1.007 33.561 32.500 0.091 0.000 1.159 80 K HN 0.193 nan 8.250 nan 0.000 0.424 81 N N 1.585 120.411 118.700 0.209 0.000 3.283 81 N HA 0.224 4.966 4.740 0.003 0.000 0.338 81 N C -0.079 175.402 175.510 -0.047 0.000 1.517 81 N CA -0.761 52.325 53.050 0.060 0.000 0.733 81 N CB 0.047 38.500 38.487 -0.056 0.000 1.797 81 N HN 0.421 nan 8.380 nan 0.000 0.637 82 N N -1.184 117.385 118.700 -0.218 0.000 2.521 82 N HA 0.017 4.759 4.740 0.003 0.000 0.188 82 N C -0.151 174.947 175.510 -0.687 0.000 1.146 82 N CA 0.708 53.451 53.050 -0.512 0.000 0.893 82 N CB -0.096 37.971 38.487 -0.700 0.000 0.975 82 N HN 0.514 nan 8.380 nan 0.000 0.451 83 Y N -0.706 119.588 120.300 -0.009 0.000 2.426 83 Y HA 0.385 4.937 4.550 0.002 0.000 0.249 83 Y C 0.749 176.662 175.900 0.022 0.000 1.103 83 Y CA -0.271 57.829 58.100 -0.000 0.000 1.256 83 Y CB 0.906 39.356 38.460 -0.017 0.000 1.208 83 Y HN -0.240 nan 8.280 nan 0.000 0.519 84 R N 0.458 121.046 120.500 0.147 0.000 2.680 84 R HA 0.350 4.691 4.340 0.003 0.000 0.269 84 R C -1.864 174.498 176.300 0.104 0.000 1.026 84 R CA -0.831 55.355 56.100 0.143 0.000 0.889 84 R CB 1.981 32.420 30.300 0.233 0.000 1.241 84 R HN -0.085 nan 8.270 nan 0.000 0.463 85 N N 0.320 119.028 118.700 0.012 0.000 2.549 85 N HA 0.278 5.019 4.740 0.003 0.000 0.290 85 N C -0.839 174.500 175.510 -0.285 0.000 1.122 85 N CA -0.132 52.839 53.050 -0.133 0.000 0.885 85 N CB 2.107 40.439 38.487 -0.260 0.000 1.455 85 N HN 0.704 nan 8.380 nan 0.000 0.521 86 A N 2.126 124.867 122.820 -0.131 0.000 2.275 86 A HA 0.159 4.481 4.320 0.003 0.000 0.212 86 A C 0.044 177.601 177.584 -0.046 0.000 1.201 86 A CA 0.194 52.175 52.037 -0.095 0.000 0.843 86 A CB -0.476 18.502 19.000 -0.036 0.000 0.873 86 A HN 0.799 nan 8.150 nan 0.000 0.492 87 H N 0.266 119.383 119.070 0.079 0.000 2.756 87 H HA -0.147 4.410 4.556 0.002 0.000 0.315 87 H C 0.065 175.423 175.328 0.050 0.000 1.210 87 H CA 0.830 56.909 56.048 0.052 0.000 1.150 87 H CB -2.199 27.580 29.762 0.029 0.000 1.463 87 H HN 0.816 nan 8.280 nan 0.000 0.427 88 S N -1.812 113.981 115.700 0.154 0.000 2.615 88 S HA 0.920 5.392 4.470 0.003 0.000 0.269 88 S C -0.702 174.009 174.600 0.186 0.000 1.161 88 S CA -0.487 57.805 58.200 0.153 0.000 0.817 88 S CB 3.098 66.373 63.200 0.125 0.000 1.131 88 S HN 0.924 nan 8.310 nan 0.000 0.467 89 A N 0.658 123.550 122.820 0.120 0.000 2.455 89 A HA 0.822 5.143 4.320 0.003 0.000 0.300 89 A C -0.575 176.996 177.584 -0.021 0.000 1.040 89 A CA -0.664 51.362 52.037 -0.019 0.000 0.697 89 A CB 1.713 20.675 19.000 -0.063 0.000 1.265 89 A HN 0.789 nan 8.150 nan 0.000 0.407 90 T N 1.968 116.441 114.554 -0.136 0.000 2.855 90 T HA 0.722 5.073 4.350 0.003 0.000 0.281 90 T C 0.042 174.505 174.700 -0.395 0.000 1.007 90 T CA 0.010 61.909 62.100 -0.334 0.000 1.009 90 T CB 1.331 69.797 68.868 -0.669 0.000 0.983 90 T HN 1.032 nan 8.240 nan 0.000 0.455 91 T N 0.323 114.659 114.554 -0.363 0.000 2.829 91 T HA 0.633 4.984 4.350 0.003 0.000 0.280 91 T C -1.062 173.447 174.700 -0.319 0.000 0.999 91 T CA -0.878 61.081 62.100 -0.236 0.000 0.983 91 T CB 1.101 69.902 68.868 -0.111 0.000 0.968 91 T HN 0.558 nan 8.240 nan 0.000 0.446 92 W N 1.636 122.631 121.300 -0.509 0.000 2.532 92 W HA 0.576 5.241 4.660 0.008 0.000 0.321 92 W C -0.108 176.122 176.519 -0.482 0.000 1.037 92 W CA -0.943 56.065 57.345 -0.561 0.000 1.220 92 W CB 2.282 31.037 29.460 -1.175 0.000 1.361 92 W HN 0.669 nan 8.180 nan 0.000 0.468 93 S N 1.915 117.600 115.700 -0.024 0.000 2.552 93 S HA 0.844 5.316 4.470 0.003 0.000 0.314 93 S C -0.074 174.561 174.600 0.057 0.000 1.099 93 S CA -0.078 58.124 58.200 0.004 0.000 1.070 93 S CB 1.053 64.257 63.200 0.005 0.000 0.998 93 S HN 0.748 nan 8.310 nan 0.000 0.474 94 G N 2.923 111.775 108.800 0.087 0.000 2.500 94 G HA2 0.556 4.517 3.960 0.003 0.000 0.299 94 G HA3 0.556 4.517 3.960 0.003 0.000 0.299 94 G C -2.186 172.802 174.900 0.145 0.000 1.242 94 G CA -0.759 44.416 45.100 0.125 0.000 0.859 94 G HN 0.765 nan 8.290 nan 0.000 0.481 95 Q N -1.146 118.747 119.800 0.156 0.000 2.379 95 Q HA 0.571 4.913 4.340 0.003 0.000 0.278 95 Q C -1.817 174.287 176.000 0.173 0.000 1.068 95 Q CA -1.059 54.842 55.803 0.164 0.000 0.816 95 Q CB 2.749 31.561 28.738 0.123 0.000 1.387 95 Q HN 0.677 nan 8.270 nan 0.000 0.413 96 Y N 1.604 121.941 120.300 0.062 0.000 2.359 96 Y HA 0.441 4.992 4.550 0.002 0.000 0.334 96 Y C -1.230 174.717 175.900 0.079 0.000 1.058 96 Y CA -0.371 57.747 58.100 0.030 0.000 1.244 96 Y CB 1.057 39.523 38.460 0.010 0.000 1.187 96 Y HN 0.478 nan 8.280 nan 0.000 0.510 97 V N 8.058 127.659 119.914 -0.522 0.000 2.304 97 V HA 0.443 4.564 4.120 0.003 0.000 0.278 97 V C 0.705 176.413 176.094 -0.643 0.000 1.018 97 V CA -0.370 61.666 62.300 -0.440 0.000 0.814 97 V CB 0.601 32.340 31.823 -0.141 0.000 1.021 97 V HN 1.081 nan 8.190 nan 0.000 0.440 98 G N 2.649 111.001 108.800 -0.747 0.000 2.588 98 G HA2 0.686 4.648 3.960 0.003 0.000 0.278 98 G HA3 0.686 4.648 3.960 0.003 0.000 0.278 98 G C 0.404 175.249 174.900 -0.092 0.000 1.307 98 G CA 0.447 45.315 45.100 -0.386 0.000 1.016 98 G HN 1.491 nan 8.290 nan 0.000 0.503 99 G N -2.011 106.800 108.800 0.019 0.000 2.384 99 G HA2 0.380 4.341 3.960 0.003 0.000 0.204 99 G HA3 0.380 4.341 3.960 0.003 0.000 0.204 99 G C 0.901 175.821 174.900 0.033 0.000 1.237 99 G CA 0.668 45.782 45.100 0.023 0.000 1.060 99 G HN 1.646 nan 8.290 nan 0.000 0.514 100 A N -0.484 122.351 122.820 0.025 0.000 1.898 100 A HA 0.426 4.747 4.320 0.003 0.000 0.214 100 A C 1.524 179.125 177.584 0.029 0.000 1.183 100 A CA 2.306 54.356 52.037 0.023 0.000 0.622 100 A CB -0.277 18.733 19.000 0.016 0.000 0.824 100 A HN 1.593 nan 8.150 nan 0.000 0.444 101 E N 0.876 121.097 120.200 0.035 0.000 2.201 101 E HA 0.518 4.870 4.350 0.003 0.000 0.272 101 E C -0.061 176.587 176.600 0.079 0.000 1.228 101 E CA -0.019 56.414 56.400 0.055 0.000 1.305 101 E CB -0.502 29.228 29.700 0.051 0.000 1.381 101 E HN 0.426 nan 8.360 nan 0.000 0.475 102 A N 3.393 126.272 122.820 0.098 0.000 2.546 102 A HA 0.446 4.767 4.320 0.003 0.000 0.243 102 A C -0.200 177.581 177.584 0.328 0.000 1.063 102 A CA -0.147 51.989 52.037 0.166 0.000 0.757 102 A CB 0.075 19.232 19.000 0.262 0.000 0.991 102 A HN 0.615 nan 8.150 nan 0.000 0.503 103 R N 1.144 121.803 120.500 0.265 0.000 2.739 103 R HA 0.726 5.068 4.340 0.003 0.000 0.271 103 R C -1.509 174.884 176.300 0.155 0.000 1.010 103 R CA -0.929 55.376 56.100 0.342 0.000 0.897 103 R CB 0.229 30.680 30.300 0.253 0.000 1.236 103 R HN 0.392 nan 8.270 nan 0.000 0.466 104 I N 2.028 122.685 120.570 0.146 0.000 2.354 104 I HA 0.361 4.533 4.170 0.003 0.000 0.286 104 I C -0.603 175.689 176.117 0.293 0.000 1.007 104 I CA -0.861 60.505 61.300 0.111 0.000 1.167 104 I CB 1.488 39.434 38.000 -0.091 0.000 1.320 104 I HN 0.414 nan 8.210 nan 0.000 0.458 105 N N 5.320 124.155 118.700 0.225 0.000 2.422 105 N HA 0.394 5.136 4.740 0.003 0.000 0.266 105 N C -0.290 175.371 175.510 0.252 0.000 1.007 105 N CA -0.178 53.012 53.050 0.233 0.000 0.941 105 N CB 1.980 40.555 38.487 0.146 0.000 1.115 105 N HN 0.620 nan 8.380 nan 0.000 0.492 106 T N -1.069 113.680 114.554 0.326 0.000 2.906 106 T HA 0.470 4.821 4.350 0.003 0.000 0.295 106 T C -0.523 174.346 174.700 0.281 0.000 1.075 106 T CA -0.923 61.364 62.100 0.312 0.000 1.005 106 T CB 2.141 71.274 68.868 0.442 0.000 1.136 106 T HN 0.259 nan 8.240 nan 0.000 0.498 107 Q N 1.053 120.958 119.800 0.174 0.000 2.306 107 Q HA 0.541 4.882 4.340 0.003 0.000 0.265 107 Q C -0.980 175.048 176.000 0.047 0.000 1.022 107 Q CA -0.972 54.864 55.803 0.055 0.000 0.853 107 Q CB 2.381 31.101 28.738 -0.029 0.000 1.327 107 Q HN 0.849 nan 8.270 nan 0.000 0.449 108 W N 1.484 122.705 121.300 -0.132 0.000 2.975 108 W HA 0.728 5.390 4.660 0.003 0.000 0.342 108 W C -2.060 174.293 176.519 -0.276 0.000 1.168 108 W CA -1.050 56.087 57.345 -0.346 0.000 1.141 108 W CB 0.659 29.678 29.460 -0.735 0.000 1.445 108 W HN 0.428 nan 8.180 nan 0.000 0.560 109 L N 3.325 124.578 121.223 0.051 0.000 2.381 109 L HA 0.450 4.792 4.340 0.003 0.000 0.274 109 L C -0.908 176.014 176.870 0.087 0.000 0.988 109 L CA -1.022 53.843 54.840 0.042 0.000 0.824 109 L CB 1.843 43.874 42.059 -0.046 0.000 1.263 109 L HN 0.270 nan 8.230 nan 0.000 0.410 110 L N 2.849 124.180 121.223 0.180 0.000 2.298 110 L HA 0.638 4.980 4.340 0.003 0.000 0.284 110 L C -0.446 176.442 176.870 0.030 0.000 1.013 110 L CA 0.293 55.172 54.840 0.065 0.000 0.824 110 L CB 1.606 43.707 42.059 0.071 0.000 1.221 110 L HN 0.501 nan 8.230 nan 0.000 0.418 111 T N 3.215 117.773 114.554 0.006 0.000 2.823 111 T HA 0.583 4.934 4.350 0.003 0.000 0.279 111 T C -0.269 174.437 174.700 0.010 0.000 0.998 111 T CA -0.434 61.665 62.100 -0.002 0.000 0.994 111 T CB 1.265 70.127 68.868 -0.010 0.000 0.960 111 T HN 0.645 nan 8.240 nan 0.000 0.448 112 S N 1.434 117.133 115.700 -0.002 0.000 2.475 112 S HA 0.587 5.058 4.470 0.003 0.000 0.298 112 S C 0.730 175.331 174.600 0.002 0.000 1.119 112 S CA -0.885 57.320 58.200 0.009 0.000 1.085 112 S CB 1.356 64.548 63.200 -0.013 0.000 1.028 112 S HN 0.921 nan 8.310 nan 0.000 0.489 113 G N 2.537 111.353 108.800 0.027 0.000 2.298 113 G HA2 0.401 4.363 3.960 0.003 0.000 0.263 113 G HA3 0.401 4.363 3.960 0.003 0.000 0.263 113 G C 0.208 175.094 174.900 -0.022 0.000 1.229 113 G CA -0.130 44.972 45.100 0.004 0.000 0.976 113 G HN 0.673 nan 8.290 nan 0.000 0.459 114 T N -0.293 114.239 114.554 -0.037 0.000 2.916 114 T HA 0.727 5.079 4.350 0.003 0.000 0.292 114 T C 0.583 175.260 174.700 -0.038 0.000 1.064 114 T CA -0.197 61.874 62.100 -0.049 0.000 1.011 114 T CB 1.654 70.477 68.868 -0.077 0.000 1.152 114 T HN 0.674 nan 8.240 nan 0.000 0.510 115 T N 0.143 114.677 114.554 -0.033 0.000 2.766 115 T HA 0.285 4.637 4.350 0.003 0.000 0.295 115 T C 1.047 175.747 174.700 -0.001 0.000 1.024 115 T CA -0.338 61.753 62.100 -0.015 0.000 1.018 115 T CB 0.341 69.206 68.868 -0.005 0.000 1.002 115 T HN 0.694 nan 8.240 nan 0.000 0.532 116 E N 0.969 121.176 120.200 0.012 0.000 2.085 116 E HA -0.038 4.314 4.350 0.003 0.000 0.194 116 E C 2.386 179.025 176.600 0.066 0.000 0.994 116 E CA 1.487 57.906 56.400 0.030 0.000 0.801 116 E CB -0.830 28.887 29.700 0.027 0.000 0.743 116 E HN 0.790 nan 8.360 nan 0.000 0.453 117 A N 0.878 123.740 122.820 0.070 0.000 2.070 117 A HA -0.147 4.175 4.320 0.003 0.000 0.220 117 A C 1.497 179.214 177.584 0.221 0.000 1.159 117 A CA 1.352 53.463 52.037 0.125 0.000 0.656 117 A CB -0.140 18.914 19.000 0.091 0.000 0.800 117 A HN 0.122 nan 8.150 nan 0.000 0.453 118 N N -1.061 117.687 118.700 0.081 0.000 2.187 118 N HA 0.259 5.001 4.740 0.003 0.000 0.212 118 N C 1.388 176.724 175.510 -0.291 0.000 1.152 118 N CA 0.722 53.708 53.050 -0.106 0.000 0.872 118 N CB 0.373 38.785 38.487 -0.126 0.000 1.025 118 N HN 0.389 nan 8.380 nan 0.000 0.514 119 A N 1.153 123.932 122.820 -0.068 0.000 1.948 119 A HA -0.192 4.130 4.320 0.003 0.000 0.220 119 A C 1.775 179.295 177.584 -0.108 0.000 1.177 119 A CA 1.187 53.184 52.037 -0.067 0.000 0.636 119 A CB -1.062 17.950 19.000 0.019 0.000 0.815 119 A HN 0.413 nan 8.150 nan 0.000 0.449 120 F N 0.973 120.918 119.950 -0.008 0.000 2.307 120 F HA -0.070 4.452 4.527 -0.009 0.000 0.301 120 F C 1.209 177.002 175.800 -0.011 0.000 1.076 120 F CA 1.265 59.258 58.000 -0.010 0.000 1.383 120 F CB -0.459 38.535 39.000 -0.010 0.000 1.055 120 F HN 0.306 nan 8.300 nan 0.000 0.526 121 K N 0.252 120.166 120.400 -0.811 0.000 2.861 121 K HA 0.343 4.664 4.320 0.003 0.000 0.210 121 K C 0.678 177.104 176.600 -0.291 0.000 1.112 121 K CA 0.380 56.380 56.287 -0.479 0.000 1.076 121 K CB -0.012 32.126 32.500 -0.605 0.000 0.853 121 K HN 0.163 nan 8.250 nan 0.000 0.463 122 S N -0.996 114.580 115.700 -0.206 0.000 2.524 122 S HA 0.040 4.511 4.470 0.003 0.000 0.216 122 S C 0.342 174.899 174.600 -0.071 0.000 0.987 122 S CA -0.166 57.959 58.200 -0.125 0.000 0.909 122 S CB -0.079 63.065 63.200 -0.093 0.000 0.781 122 S HN 0.202 nan 8.310 nan 0.000 0.521 123 T N 2.525 117.041 114.554 -0.062 0.000 2.847 123 T HA 0.565 4.917 4.350 0.003 0.000 0.291 123 T C -0.735 173.945 174.700 -0.034 0.000 0.998 123 T CA -0.543 61.536 62.100 -0.035 0.000 0.967 123 T CB 1.451 70.299 68.868 -0.034 0.000 0.954 123 T HN 0.180 nan 8.240 nan 0.000 0.441 124 L N 2.977 124.201 121.223 0.002 0.000 2.325 124 L HA 0.775 5.117 4.340 0.003 0.000 0.279 124 L C -0.096 176.709 176.870 -0.109 0.000 1.054 124 L CA -0.916 53.925 54.840 0.001 0.000 0.804 124 L CB 1.553 43.692 42.059 0.133 0.000 1.200 124 L HN 0.337 nan 8.230 nan 0.000 0.436 125 V N 2.005 121.717 119.914 -0.337 0.000 2.769 125 V HA 0.990 5.111 4.120 0.003 0.000 0.312 125 V C -0.089 175.332 176.094 -1.121 0.000 1.061 125 V CA 0.173 62.088 62.300 -0.640 0.000 0.931 125 V CB 1.796 33.402 31.823 -0.362 0.000 1.010 125 V HN 0.872 nan 8.190 nan 0.000 0.433 126 G N 3.795 111.512 108.800 -1.805 0.000 2.570 126 G HA2 0.649 4.610 3.960 0.003 0.000 0.310 126 G HA3 0.649 4.610 3.960 0.003 0.000 0.310 126 G C -1.590 172.627 174.900 -1.138 0.000 1.266 126 G CA -0.104 44.100 45.100 -1.494 0.000 0.825 126 G HN 1.481 nan 8.290 nan 0.000 0.483 127 H N -1.540 117.287 119.070 -0.407 0.000 2.961 127 H HA 0.840 5.397 4.556 0.001 0.000 0.371 127 H C -1.953 173.585 175.328 0.349 0.000 1.190 127 H CA -0.913 55.130 56.048 -0.008 0.000 1.138 127 H CB 2.878 32.627 29.762 -0.021 0.000 1.816 127 H HN 0.431 nan 8.280 nan 0.000 0.551 128 D N 0.628 121.335 120.400 0.512 0.000 2.859 128 D HA 0.363 5.005 4.640 0.003 0.000 0.223 128 D C -1.011 175.458 176.300 0.282 0.000 1.218 128 D CA -0.395 53.818 54.000 0.354 0.000 0.850 128 D CB 2.847 43.897 40.800 0.417 0.000 1.656 128 D HN 0.678 nan 8.370 nan 0.000 0.484 129 T N 2.251 116.867 114.554 0.104 0.000 2.807 129 T HA 0.537 4.889 4.350 0.003 0.000 0.279 129 T C -0.574 174.143 174.700 0.029 0.000 0.993 129 T CA -0.367 61.830 62.100 0.162 0.000 0.970 129 T CB 0.371 69.341 68.868 0.170 0.000 0.950 129 T HN 0.081 nan 8.240 nan 0.000 0.441 130 F N 2.282 122.420 119.950 0.312 0.000 2.469 130 F HA 0.597 5.125 4.527 0.002 0.000 0.332 130 F C 1.129 177.220 175.800 0.485 0.000 1.103 130 F CA -0.729 57.501 58.000 0.382 0.000 0.979 130 F CB 1.892 41.124 39.000 0.386 0.000 1.137 130 F HN 0.534 nan 8.300 nan 0.000 0.463 131 T N -1.459 113.487 114.554 0.654 0.000 2.910 131 T HA 0.428 4.780 4.350 0.003 0.000 0.287 131 T C 0.476 175.405 174.700 0.381 0.000 1.050 131 T CA -0.994 61.426 62.100 0.534 0.000 1.011 131 T CB 2.069 71.114 68.868 0.295 0.000 1.195 131 T HN 0.541 nan 8.240 nan 0.000 0.540 132 K N -0.077 120.351 120.400 0.048 0.000 2.361 132 K HA 0.243 4.565 4.320 0.003 0.000 0.196 132 K C 0.544 177.177 176.600 0.055 0.000 1.039 132 K CA 0.224 56.385 56.287 -0.210 0.000 1.001 132 K CB 0.114 32.361 32.500 -0.421 0.000 0.795 132 K HN 0.444 nan 8.250 nan 0.000 0.495 133 V N 0.000 119.958 119.914 0.074 0.000 2.409 133 V HA 0.000 4.122 4.120 0.003 0.000 0.244 133 V CA 0.000 62.285 62.300 -0.025 0.000 1.235 133 V CB 0.000 31.804 31.823 -0.031 0.000 1.184 133 V HN 0.000 nan 8.190 nan 0.000 0.556