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 1swu_1_D DATA FIRST_RESID 16 DATA SEQUENCE GITGTWYNQL GSTFIVTAGA DGALTGTFEX XXGNAESRYV LTGRYDSAPA DATA SEQUENCE TDGSGTALGW TVAWKNNYRN AHSATTWSGQ YVGGAEARIN TQWLLTSGTT DATA SEQUENCE EANAWKSTLV 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 3.963 3.960 0.005 0.000 0.244 16 G C 0.000 174.776 174.900 -0.206 0.000 0.946 16 G CA 0.000 45.014 45.100 -0.143 0.000 0.502 17 I N 2.227 122.522 120.570 -0.457 0.000 2.406 17 I HA 0.059 4.232 4.170 0.005 0.000 0.249 17 I C 1.072 177.141 176.117 -0.079 0.000 1.122 17 I CA 0.935 62.035 61.300 -0.333 0.000 1.431 17 I CB -0.183 37.436 38.000 -0.635 0.000 1.087 17 I HN 0.019 nan 8.210 nan 0.000 0.424 18 T N 1.878 116.316 114.554 -0.194 0.000 2.902 18 T HA 0.416 4.769 4.350 0.005 0.000 0.301 18 T C 0.259 174.874 174.700 -0.141 0.000 1.012 18 T CA 0.689 62.683 62.100 -0.176 0.000 1.151 18 T CB 0.565 69.327 68.868 -0.176 0.000 0.946 18 T HN 0.643 nan 8.240 nan 0.000 0.542 19 G N 2.239 110.924 108.800 -0.192 0.000 2.356 19 G HA2 0.323 4.286 3.960 0.005 0.000 0.288 19 G HA3 0.323 4.286 3.960 0.005 0.000 0.288 19 G C -1.046 173.620 174.900 -0.391 0.000 1.302 19 G CA -0.962 43.951 45.100 -0.312 0.000 0.887 19 G HN 0.611 nan 8.290 nan 0.000 0.521 20 T N 0.930 115.188 114.554 -0.494 0.000 2.758 20 T HA 0.593 4.945 4.350 0.005 0.000 0.285 20 T C -1.054 173.233 174.700 -0.687 0.000 0.981 20 T CA 0.192 61.997 62.100 -0.492 0.000 0.965 20 T CB 0.560 69.208 68.868 -0.367 0.000 0.927 20 T HN 0.424 nan 8.240 nan 0.000 0.448 21 W N 2.171 123.139 121.300 -0.553 0.000 2.706 21 W HA 0.653 5.319 4.660 0.011 0.000 0.346 21 W C -1.028 175.234 176.519 -0.428 0.000 1.071 21 W CA -0.971 56.200 57.345 -0.291 0.000 1.206 21 W CB 1.140 30.585 29.460 -0.025 0.000 1.413 21 W HN 0.552 nan 8.180 nan 0.000 0.542 22 Y N 2.170 122.779 120.300 0.514 0.000 2.425 22 Y HA 0.270 4.824 4.550 0.006 0.000 0.344 22 Y C 0.521 176.617 175.900 0.326 0.000 0.969 22 Y CA -1.345 56.961 58.100 0.344 0.000 1.052 22 Y CB 1.163 39.722 38.460 0.165 0.000 1.215 22 Y HN 0.421 nan 8.280 nan 0.000 0.451 23 N N 1.138 119.969 118.700 0.218 0.000 2.418 23 N HA 0.019 4.762 4.740 0.005 0.000 0.283 23 N C 0.866 176.378 175.510 0.003 0.000 1.267 23 N CA -0.541 52.373 53.050 -0.227 0.000 0.975 23 N CB 0.436 38.541 38.487 -0.636 0.000 1.167 23 N HN 0.659 nan 8.380 nan 0.000 0.581 24 Q N -0.478 119.301 119.800 -0.036 0.000 2.436 24 Q HA -0.000 4.342 4.340 0.005 0.000 0.209 24 Q C 0.896 176.919 176.000 0.038 0.000 0.965 24 Q CA 1.286 57.104 55.803 0.026 0.000 0.910 24 Q CB -0.501 28.254 28.738 0.028 0.000 0.980 24 Q HN 0.729 nan 8.270 nan 0.000 0.491 25 L N -0.323 120.927 121.223 0.046 0.000 2.667 25 L HA 0.365 4.708 4.340 0.005 0.000 0.232 25 L C 0.904 177.817 176.870 0.073 0.000 1.138 25 L CA 0.274 55.147 54.840 0.056 0.000 0.921 25 L CB 0.148 42.245 42.059 0.063 0.000 1.180 25 L HN 0.405 nan 8.230 nan 0.000 0.487 26 G N -0.438 108.419 108.800 0.095 0.000 2.176 26 G HA2 -0.271 3.692 3.960 0.005 0.000 0.253 26 G HA3 -0.271 3.692 3.960 0.005 0.000 0.253 26 G C 0.390 175.390 174.900 0.167 0.000 0.979 26 G CA 0.276 45.448 45.100 0.119 0.000 0.641 26 G HN 0.322 nan 8.290 nan 0.000 0.530 27 S N 0.466 116.257 115.700 0.152 0.000 2.566 27 S HA 0.485 4.958 4.470 0.005 0.000 0.280 27 S C 0.473 175.101 174.600 0.047 0.000 1.343 27 S CA 0.923 59.176 58.200 0.088 0.000 1.036 27 S CB 1.084 64.373 63.200 0.148 0.000 0.866 27 S HN 0.516 nan 8.310 nan 0.000 0.526 28 T N 2.985 117.448 114.554 -0.153 0.000 2.812 28 T HA 0.438 4.791 4.350 0.005 0.000 0.282 28 T C -1.129 173.342 174.700 -0.382 0.000 0.990 28 T CA -0.339 61.647 62.100 -0.190 0.000 0.960 28 T CB 0.486 69.318 68.868 -0.060 0.000 0.948 28 T HN 0.433 nan 8.240 nan 0.000 0.438 29 F N 5.341 124.998 119.950 -0.489 0.000 2.366 29 F HA 0.617 5.145 4.527 0.003 0.000 0.366 29 F C -1.168 174.443 175.800 -0.315 0.000 1.096 29 F CA -1.906 55.809 58.000 -0.475 0.000 1.060 29 F CB 0.216 38.884 39.000 -0.552 0.000 1.282 29 F HN 0.440 nan 8.300 nan 0.000 0.450 30 I N 7.576 127.942 120.570 -0.341 0.000 2.328 30 I HA 0.464 4.637 4.170 0.005 0.000 0.287 30 I C -0.870 174.970 176.117 -0.462 0.000 1.012 30 I CA -0.943 60.133 61.300 -0.374 0.000 1.195 30 I CB 1.415 39.286 38.000 -0.216 0.000 1.350 30 I HN 0.383 nan 8.210 nan 0.000 0.464 31 V N 5.221 124.795 119.914 -0.567 0.000 2.925 31 V HA 0.561 4.684 4.120 0.005 0.000 0.311 31 V C -0.765 175.105 176.094 -0.375 0.000 1.104 31 V CA -0.124 61.820 62.300 -0.592 0.000 0.954 31 V CB 2.732 33.904 31.823 -1.085 0.000 1.022 31 V HN 0.734 nan 8.190 nan 0.000 0.427 32 T N 4.650 119.031 114.554 -0.289 0.000 2.841 32 T HA 0.746 5.099 4.350 0.005 0.000 0.285 32 T C -0.548 174.027 174.700 -0.209 0.000 0.991 32 T CA 0.169 62.141 62.100 -0.214 0.000 0.966 32 T CB 1.101 69.884 68.868 -0.141 0.000 0.962 32 T HN 1.226 nan 8.240 nan 0.000 0.438 33 A N 3.682 126.353 122.820 -0.249 0.000 2.280 33 A HA 0.727 5.050 4.320 0.005 0.000 0.320 33 A C 0.723 178.277 177.584 -0.050 0.000 1.366 33 A CA -0.476 51.371 52.037 -0.317 0.000 0.938 33 A CB 0.172 18.684 19.000 -0.813 0.000 1.157 33 A HN 0.950 nan 8.150 nan 0.000 0.536 34 G N 0.375 109.249 108.800 0.123 0.000 2.537 34 G HA2 0.479 4.442 3.960 0.005 0.000 0.273 34 G HA3 0.479 4.442 3.960 0.005 0.000 0.273 34 G C 1.044 176.044 174.900 0.167 0.000 1.189 34 G CA 0.071 45.236 45.100 0.108 0.000 0.881 34 G HN 1.205 nan 8.290 nan 0.000 0.535 35 A N -0.059 122.812 122.820 0.084 0.000 2.070 35 A HA -0.060 4.263 4.320 0.005 0.000 0.220 35 A C 1.907 179.507 177.584 0.025 0.000 1.159 35 A CA 2.007 54.082 52.037 0.064 0.000 0.656 35 A CB -0.216 18.803 19.000 0.031 0.000 0.800 35 A HN 0.702 nan 8.150 nan 0.000 0.453 36 D N -1.431 118.975 120.400 0.011 0.000 2.355 36 D HA 0.159 4.802 4.640 0.005 0.000 0.218 36 D C 1.214 177.446 176.300 -0.112 0.000 1.004 36 D CA 1.294 55.273 54.000 -0.034 0.000 0.880 36 D CB -0.250 40.542 40.800 -0.013 0.000 0.911 36 D HN 0.702 nan 8.370 nan 0.000 0.528 37 G N -0.053 108.624 108.800 -0.204 0.000 2.179 37 G HA2 -0.118 3.845 3.960 0.005 0.000 0.220 37 G HA3 -0.118 3.845 3.960 0.005 0.000 0.220 37 G C 0.454 175.331 174.900 -0.038 0.000 0.990 37 G CA 0.270 45.095 45.100 -0.457 0.000 0.646 37 G HN 0.764 nan 8.290 nan 0.000 0.517 38 A N 0.308 123.212 122.820 0.140 0.000 2.354 38 A HA 0.763 5.086 4.320 0.005 0.000 0.269 38 A C 0.264 177.984 177.584 0.227 0.000 1.109 38 A CA 0.016 52.146 52.037 0.156 0.000 0.800 38 A CB 0.468 19.518 19.000 0.083 0.000 1.045 38 A HN 0.833 nan 8.150 nan 0.000 0.489 39 L N 2.311 123.627 121.223 0.155 0.000 2.313 39 L HA 0.623 4.966 4.340 0.005 0.000 0.283 39 L C 0.251 177.127 176.870 0.010 0.000 1.013 39 L CA -0.415 54.452 54.840 0.044 0.000 0.816 39 L CB 2.050 44.143 42.059 0.056 0.000 1.236 39 L HN 0.917 nan 8.230 nan 0.000 0.419 40 T N -0.587 113.934 114.554 -0.054 0.000 2.903 40 T HA 0.946 5.299 4.350 0.005 0.000 0.299 40 T C -0.205 174.433 174.700 -0.103 0.000 1.093 40 T CA -0.291 61.781 62.100 -0.048 0.000 1.002 40 T CB 2.626 71.476 68.868 -0.030 0.000 1.127 40 T HN 0.938 nan 8.240 nan 0.000 0.488 41 G N 0.720 109.478 108.800 -0.071 0.000 2.368 41 G HA2 0.519 4.482 3.960 0.005 0.000 0.269 41 G HA3 0.519 4.482 3.960 0.005 0.000 0.269 41 G C -0.766 174.123 174.900 -0.018 0.000 1.291 41 G CA -0.054 44.990 45.100 -0.093 0.000 0.903 41 G HN 1.677 nan 8.290 nan 0.000 0.483 42 T N -2.389 112.161 114.554 -0.007 0.000 2.906 42 T HA 0.749 5.102 4.350 0.005 0.000 0.295 42 T C -1.595 173.210 174.700 0.174 0.000 1.061 42 T CA -0.624 61.528 62.100 0.087 0.000 1.000 42 T CB 2.405 71.305 68.868 0.054 0.000 1.103 42 T HN 1.243 nan 8.240 nan 0.000 0.486 43 F N 1.733 121.761 119.950 0.129 0.000 2.529 43 F HA 0.610 5.140 4.527 0.006 0.000 0.320 43 F C -0.142 175.848 175.800 0.317 0.000 1.118 43 F CA -0.595 57.524 58.000 0.198 0.000 0.915 43 F CB 1.653 40.750 39.000 0.162 0.000 1.161 43 F HN 0.972 nan 8.300 nan 0.000 0.445 49 N N 0.652 119.351 118.700 -0.002 0.000 2.495 49 N HA 0.631 5.374 4.740 0.005 0.000 0.280 49 N C 1.443 176.916 175.510 -0.062 0.000 1.168 49 N CA 0.119 53.144 53.050 -0.042 0.000 0.978 49 N CB 1.406 39.852 38.487 -0.068 0.000 1.191 49 N HN 0.097 nan 8.380 nan 0.000 0.497 50 A N 0.824 123.579 122.820 -0.108 0.000 1.908 50 A HA -0.219 4.104 4.320 0.005 0.000 0.218 50 A C 1.638 179.099 177.584 -0.205 0.000 1.181 50 A CA 1.691 53.660 52.037 -0.115 0.000 0.627 50 A CB -0.980 17.946 19.000 -0.124 0.000 0.818 50 A HN 0.840 nan 8.150 nan 0.000 0.445 51 E N 0.257 120.207 120.200 -0.415 0.000 2.333 51 E HA -0.093 4.260 4.350 0.005 0.000 0.198 51 E C 1.803 178.333 176.600 -0.117 0.000 1.007 51 E CA 1.148 57.280 56.400 -0.446 0.000 0.845 51 E CB -0.151 29.265 29.700 -0.472 0.000 0.766 51 E HN 0.733 nan 8.360 nan 0.000 0.507 52 S N -0.242 115.440 115.700 -0.029 0.000 2.572 52 S HA 0.155 4.628 4.470 0.005 0.000 0.228 52 S C 0.546 175.280 174.600 0.224 0.000 0.963 52 S CA -0.626 57.674 58.200 0.167 0.000 0.939 52 S CB 0.197 63.502 63.200 0.176 0.000 0.804 52 S HN -0.014 nan 8.310 nan 0.000 0.480 53 R N 0.580 121.063 120.500 -0.028 0.000 2.346 53 R HA 0.566 4.909 4.340 0.005 0.000 0.311 53 R C -1.690 174.502 176.300 -0.180 0.000 0.983 53 R CA -0.467 55.657 56.100 0.041 0.000 0.880 53 R CB 0.616 30.935 30.300 0.032 0.000 1.100 53 R HN 0.376 nan 8.270 nan 0.000 0.453 54 Y N 1.478 121.911 120.300 0.222 0.000 2.545 54 Y HA 0.316 4.869 4.550 0.005 0.000 0.348 54 Y C -0.125 175.830 175.900 0.092 0.000 1.002 54 Y CA -0.957 57.233 58.100 0.149 0.000 1.039 54 Y CB 1.704 40.233 38.460 0.114 0.000 1.271 54 Y HN 0.164 nan 8.280 nan 0.000 0.467 55 V N 3.985 124.007 119.914 0.180 0.000 2.686 55 V HA 0.292 4.415 4.120 0.005 0.000 0.295 55 V C -0.237 175.912 176.094 0.092 0.000 1.055 55 V CA -0.249 62.114 62.300 0.104 0.000 1.050 55 V CB 0.590 32.451 31.823 0.064 0.000 0.984 55 V HN 0.584 nan 8.190 nan 0.000 0.482 56 L N 2.956 124.231 121.223 0.087 0.000 2.354 56 L HA 1.071 5.414 4.340 0.005 0.000 0.264 56 L C -0.282 176.638 176.870 0.084 0.000 1.008 56 L CA -0.293 54.609 54.840 0.103 0.000 0.819 56 L CB 2.430 44.569 42.059 0.134 0.000 1.339 56 L HN 0.700 nan 8.230 nan 0.000 0.420 57 T N -1.326 113.303 114.554 0.125 0.000 2.923 57 T HA 0.969 5.322 4.350 0.005 0.000 0.311 57 T C -0.270 174.542 174.700 0.186 0.000 1.183 57 T CA -0.087 62.081 62.100 0.113 0.000 1.020 57 T CB 1.529 70.442 68.868 0.075 0.000 1.165 57 T HN 1.406 nan 8.240 nan 0.000 0.482 58 G N 1.027 109.934 108.800 0.177 0.000 2.494 58 G HA2 0.678 4.641 3.960 0.005 0.000 0.308 58 G HA3 0.678 4.641 3.960 0.005 0.000 0.308 58 G C -1.956 173.056 174.900 0.187 0.000 1.263 58 G CA -1.007 44.228 45.100 0.226 0.000 0.840 58 G HN 0.735 nan 8.290 nan 0.000 0.479 59 R N -1.105 119.523 120.500 0.213 0.000 2.740 59 R HA 0.623 4.965 4.340 0.005 0.000 0.273 59 R C -1.633 174.830 176.300 0.271 0.000 0.998 59 R CA -0.653 55.558 56.100 0.186 0.000 0.900 59 R CB 1.645 32.001 30.300 0.094 0.000 1.223 59 R HN 0.888 nan 8.270 nan 0.000 0.466 60 Y N -2.171 118.160 120.300 0.053 0.000 2.588 60 Y HA 0.454 5.009 4.550 0.008 0.000 0.343 60 Y C -0.723 175.198 175.900 0.035 0.000 1.065 60 Y CA -1.689 56.441 58.100 0.049 0.000 1.038 60 Y CB 0.998 39.473 38.460 0.024 0.000 1.297 60 Y HN 0.426 nan 8.280 nan 0.000 0.467 61 D N 1.460 121.842 120.400 -0.030 0.000 2.342 61 D HA 0.112 4.755 4.640 0.005 0.000 0.260 61 D C 0.735 176.932 176.300 -0.171 0.000 1.278 61 D CA 0.540 54.479 54.000 -0.101 0.000 0.910 61 D CB 0.823 41.641 40.800 0.031 0.000 1.079 61 D HN 0.691 nan 8.370 nan 0.000 0.496 62 S N 2.320 117.789 115.700 -0.385 0.000 2.603 62 S HA 0.228 4.700 4.470 0.005 0.000 0.220 62 S C 0.751 175.325 174.600 -0.044 0.000 0.967 62 S CA -0.111 57.934 58.200 -0.259 0.000 0.920 62 S CB 0.253 63.241 63.200 -0.352 0.000 0.773 62 S HN 0.453 nan 8.310 nan 0.000 0.529 63 A N 2.500 125.305 122.820 -0.024 0.000 3.266 63 A HA 0.578 4.900 4.320 0.005 0.000 0.310 63 A C -2.587 175.017 177.584 0.033 0.000 1.066 63 A CA -1.260 50.785 52.037 0.014 0.000 0.839 63 A CB 0.431 19.429 19.000 -0.003 0.000 1.192 63 A HN 0.378 nan 8.150 nan 0.000 0.496 64 P HA 0.389 nan 4.420 nan 0.000 0.273 64 P C 0.502 177.839 177.300 0.061 0.000 1.250 64 P CA 0.034 63.180 63.100 0.076 0.000 0.793 64 P CB 0.726 32.497 31.700 0.119 0.000 1.011 65 A N 0.991 123.845 122.820 0.058 0.000 2.429 65 A HA 0.283 4.606 4.320 0.005 0.000 0.242 65 A C 1.040 178.655 177.584 0.052 0.000 1.088 65 A CA 0.527 52.592 52.037 0.047 0.000 0.784 65 A CB -0.717 18.309 19.000 0.043 0.000 1.038 65 A HN 0.645 nan 8.150 nan 0.000 0.501 66 T N -1.943 112.637 114.554 0.043 0.000 3.269 66 T HA 0.304 4.656 4.350 0.005 0.000 0.269 66 T C -0.180 174.541 174.700 0.036 0.000 0.993 66 T CA 0.332 62.457 62.100 0.042 0.000 0.909 66 T CB -0.224 68.665 68.868 0.036 0.000 1.115 66 T HN 0.684 nan 8.240 nan 0.000 0.543 67 D N -0.174 120.248 120.400 0.036 0.000 2.469 67 D HA 0.286 4.928 4.640 0.005 0.000 0.215 67 D C 1.530 177.849 176.300 0.031 0.000 1.154 67 D CA 0.069 54.087 54.000 0.031 0.000 0.832 67 D CB -0.256 40.560 40.800 0.027 0.000 1.008 67 D HN 0.481 nan 8.370 nan 0.000 0.506 68 G N -0.180 108.643 108.800 0.037 0.000 2.176 68 G HA2 -0.244 3.719 3.960 0.005 0.000 0.232 68 G HA3 -0.244 3.719 3.960 0.005 0.000 0.232 68 G C 0.321 175.243 174.900 0.037 0.000 0.986 68 G CA 0.111 45.232 45.100 0.035 0.000 0.643 68 G HN 0.385 nan 8.290 nan 0.000 0.522 69 S N 0.502 116.228 115.700 0.044 0.000 2.592 69 S HA 0.593 5.066 4.470 0.005 0.000 0.271 69 S C 1.188 175.826 174.600 0.064 0.000 1.326 69 S CA 0.125 58.354 58.200 0.048 0.000 1.024 69 S CB 1.339 64.568 63.200 0.049 0.000 0.921 69 S HN 1.209 nan 8.310 nan 0.000 0.527 70 G N 0.711 109.551 108.800 0.066 0.000 2.653 70 G HA2 0.399 4.361 3.960 0.005 0.000 0.265 70 G HA3 0.399 4.361 3.960 0.005 0.000 0.265 70 G C -0.683 174.302 174.900 0.141 0.000 1.237 70 G CA -0.426 44.730 45.100 0.093 0.000 0.946 70 G HN 0.580 nan 8.290 nan 0.000 0.522 71 T N 0.741 115.425 114.554 0.217 0.000 2.770 71 T HA 0.564 4.917 4.350 0.005 0.000 0.297 71 T C 0.537 175.368 174.700 0.219 0.000 0.997 71 T CA -0.016 62.227 62.100 0.239 0.000 0.949 71 T CB 1.124 70.192 68.868 0.334 0.000 0.941 71 T HN 0.819 nan 8.240 nan 0.000 0.457 72 A N 3.901 126.821 122.820 0.167 0.000 2.462 72 A HA 0.680 5.003 4.320 0.005 0.000 0.243 72 A C -0.181 177.516 177.584 0.188 0.000 1.076 72 A CA -0.227 51.901 52.037 0.151 0.000 0.773 72 A CB -0.280 18.783 19.000 0.104 0.000 1.010 72 A HN 0.840 nan 8.150 nan 0.000 0.493 73 L N -1.209 120.130 121.223 0.193 0.000 2.720 73 L HA 1.013 5.356 4.340 0.005 0.000 0.261 73 L C -0.222 176.780 176.870 0.219 0.000 1.046 73 L CA 0.030 55.016 54.840 0.243 0.000 0.886 73 L CB 1.167 43.404 42.059 0.297 0.000 1.493 73 L HN 1.314 nan 8.230 nan 0.000 0.407 74 G N -1.275 107.686 108.800 0.268 0.000 2.673 74 G HA2 0.670 4.633 3.960 0.005 0.000 0.292 74 G HA3 0.670 4.633 3.960 0.005 0.000 0.292 74 G C -2.437 172.677 174.900 0.356 0.000 1.450 74 G CA -0.053 45.165 45.100 0.198 0.000 0.837 74 G HN 1.536 nan 8.290 nan 0.000 0.505 75 W N -0.587 120.772 121.300 0.099 0.000 3.025 75 W HA 0.803 5.466 4.660 0.005 0.000 0.343 75 W C -1.064 175.541 176.519 0.143 0.000 1.246 75 W CA -1.240 56.150 57.345 0.075 0.000 1.178 75 W CB 1.021 30.484 29.460 0.005 0.000 1.463 75 W HN 0.606 nan 8.180 nan 0.000 0.578 76 T N 1.692 116.419 114.554 0.289 0.000 2.876 76 T HA 0.627 4.979 4.350 0.005 0.000 0.289 76 T C -1.432 173.355 174.700 0.146 0.000 1.014 76 T CA -0.649 61.533 62.100 0.137 0.000 0.986 76 T CB 1.863 70.754 68.868 0.039 0.000 1.021 76 T HN 0.441 nan 8.240 nan 0.000 0.458 77 V N 2.106 121.996 119.914 -0.041 0.000 2.487 77 V HA 0.728 4.851 4.120 0.005 0.000 0.298 77 V C 0.017 175.735 176.094 -0.625 0.000 1.028 77 V CA -1.011 61.067 62.300 -0.370 0.000 0.860 77 V CB 1.542 32.919 31.823 -0.744 0.000 0.991 77 V HN 1.115 nan 8.190 nan 0.000 0.427 78 A N 3.961 126.537 122.820 -0.406 0.000 2.289 78 A HA 0.523 4.846 4.320 0.005 0.000 0.298 78 A C -0.391 176.982 177.584 -0.352 0.000 1.208 78 A CA -0.396 51.447 52.037 -0.323 0.000 0.845 78 A CB 0.156 19.102 19.000 -0.090 0.000 1.125 78 A HN 0.957 nan 8.150 nan 0.000 0.517 79 W N 2.568 123.813 121.300 -0.092 0.000 1.992 79 W HA 0.290 4.953 4.660 0.006 0.000 0.449 79 W C 0.805 177.374 176.519 0.083 0.000 0.617 79 W CA -0.014 57.187 57.345 -0.239 0.000 2.341 79 W CB 0.088 29.355 29.460 -0.321 0.000 1.156 79 W HN 0.595 nan 8.180 nan 0.000 0.538 80 K N 2.500 123.129 120.400 0.381 0.000 2.345 80 K HA 0.248 4.570 4.320 0.005 0.000 0.255 80 K C -0.258 176.555 176.600 0.356 0.000 0.934 80 K CA -0.517 55.967 56.287 0.329 0.000 0.801 80 K CB 0.876 33.474 32.500 0.162 0.000 1.137 80 K HN 0.128 nan 8.250 nan 0.000 0.424 81 N N 1.648 120.473 118.700 0.208 0.000 3.439 81 N HA 0.204 4.946 4.740 0.005 0.000 0.343 81 N C -0.114 175.354 175.510 -0.069 0.000 1.597 81 N CA -0.664 52.384 53.050 -0.003 0.000 0.733 81 N CB -0.076 38.255 38.487 -0.259 0.000 1.973 81 N HN 0.378 nan 8.380 nan 0.000 0.646 82 N N -1.270 117.291 118.700 -0.231 0.000 2.550 82 N HA 0.036 4.779 4.740 0.005 0.000 0.186 82 N C -0.007 175.179 175.510 -0.540 0.000 1.110 82 N CA 0.787 53.579 53.050 -0.430 0.000 0.912 82 N CB -0.233 37.868 38.487 -0.645 0.000 0.968 82 N HN 0.481 nan 8.380 nan 0.000 0.448 83 Y N -0.501 119.785 120.300 -0.023 0.000 2.589 83 Y HA 0.367 4.919 4.550 0.004 0.000 0.271 83 Y C 0.553 176.464 175.900 0.018 0.000 1.107 83 Y CA -0.180 57.916 58.100 -0.007 0.000 1.273 83 Y CB 0.748 39.195 38.460 -0.023 0.000 1.266 83 Y HN -0.228 nan 8.280 nan 0.000 0.504 84 R N 0.164 120.777 120.500 0.189 0.000 2.707 84 R HA 0.424 4.766 4.340 0.005 0.000 0.272 84 R C -1.689 174.703 176.300 0.152 0.000 1.011 84 R CA -0.900 55.300 56.100 0.167 0.000 0.893 84 R CB 1.731 32.170 30.300 0.231 0.000 1.233 84 R HN -0.158 nan 8.270 nan 0.000 0.464 85 N N 0.308 119.038 118.700 0.049 0.000 2.500 85 N HA 0.305 5.048 4.740 0.005 0.000 0.291 85 N C -0.924 174.465 175.510 -0.202 0.000 1.092 85 N CA -0.276 52.743 53.050 -0.052 0.000 0.890 85 N CB 2.153 40.543 38.487 -0.160 0.000 1.466 85 N HN 0.734 nan 8.380 nan 0.000 0.507 86 A N 2.197 124.972 122.820 -0.075 0.000 2.275 86 A HA 0.161 4.484 4.320 0.005 0.000 0.212 86 A C -0.022 177.549 177.584 -0.021 0.000 1.201 86 A CA 0.106 52.099 52.037 -0.073 0.000 0.843 86 A CB -0.504 18.474 19.000 -0.035 0.000 0.873 86 A HN 0.795 nan 8.150 nan 0.000 0.492 87 H N -0.040 119.082 119.070 0.088 0.000 2.677 87 H HA -0.127 4.431 4.556 0.004 0.000 0.321 87 H C -0.393 174.969 175.328 0.056 0.000 1.171 87 H CA 0.907 56.991 56.048 0.059 0.000 1.139 87 H CB -2.104 27.678 29.762 0.032 0.000 1.515 87 H HN 0.435 nan 8.280 nan 0.000 0.423 88 S N -1.262 114.548 115.700 0.183 0.000 2.588 88 S HA 0.878 5.351 4.470 0.005 0.000 0.269 88 S C -0.646 174.075 174.600 0.202 0.000 1.157 88 S CA -0.284 58.020 58.200 0.172 0.000 0.824 88 S CB 2.942 66.242 63.200 0.165 0.000 1.126 88 S HN 0.721 nan 8.310 nan 0.000 0.464 89 A N 0.989 123.888 122.820 0.133 0.000 2.520 89 A HA 0.816 5.139 4.320 0.005 0.000 0.298 89 A C -0.904 176.649 177.584 -0.052 0.000 1.051 89 A CA -0.627 51.382 52.037 -0.046 0.000 0.690 89 A CB 1.606 20.555 19.000 -0.086 0.000 1.281 89 A HN 0.541 nan 8.150 nan 0.000 0.402 90 T N 2.032 116.455 114.554 -0.218 0.000 2.823 90 T HA 0.696 5.049 4.350 0.005 0.000 0.279 90 T C 0.062 174.486 174.700 -0.460 0.000 0.998 90 T CA -0.022 61.830 62.100 -0.413 0.000 0.994 90 T CB 1.334 69.712 68.868 -0.817 0.000 0.960 90 T HN 1.029 nan 8.240 nan 0.000 0.448 91 T N 0.323 114.632 114.554 -0.408 0.000 2.823 91 T HA 0.596 4.948 4.350 0.005 0.000 0.279 91 T C -0.910 173.546 174.700 -0.406 0.000 0.998 91 T CA -0.884 61.039 62.100 -0.294 0.000 0.994 91 T CB 1.052 69.832 68.868 -0.146 0.000 0.960 91 T HN 0.552 nan 8.240 nan 0.000 0.448 92 W N 1.855 122.772 121.300 -0.638 0.000 2.475 92 W HA 0.561 5.221 4.660 -0.001 0.000 0.317 92 W C 0.078 176.271 176.519 -0.543 0.000 1.046 92 W CA -0.888 56.041 57.345 -0.694 0.000 1.215 92 W CB 2.155 30.719 29.460 -1.493 0.000 1.335 92 W HN 0.692 nan 8.180 nan 0.000 0.471 93 S N 2.011 117.675 115.700 -0.061 0.000 2.519 93 S HA 0.876 5.348 4.470 0.005 0.000 0.309 93 S C -0.080 174.550 174.600 0.050 0.000 1.100 93 S CA -0.035 58.159 58.200 -0.010 0.000 1.059 93 S CB 1.322 64.518 63.200 -0.008 0.000 1.008 93 S HN 0.750 nan 8.310 nan 0.000 0.478 94 G N 2.778 111.632 108.800 0.091 0.000 2.435 94 G HA2 0.529 4.492 3.960 0.005 0.000 0.296 94 G HA3 0.529 4.492 3.960 0.005 0.000 0.296 94 G C -2.113 172.876 174.900 0.148 0.000 1.240 94 G CA -0.677 44.500 45.100 0.127 0.000 0.872 94 G HN 0.862 nan 8.290 nan 0.000 0.480 95 Q N -1.280 118.617 119.800 0.161 0.000 2.379 95 Q HA 0.617 4.960 4.340 0.005 0.000 0.278 95 Q C -1.884 174.231 176.000 0.191 0.000 1.068 95 Q CA -1.068 54.837 55.803 0.171 0.000 0.816 95 Q CB 2.677 31.493 28.738 0.130 0.000 1.387 95 Q HN 0.739 nan 8.270 nan 0.000 0.413 96 Y N 1.671 122.018 120.300 0.077 0.000 2.316 96 Y HA 0.512 5.063 4.550 0.002 0.000 0.331 96 Y C -1.333 174.624 175.900 0.095 0.000 1.083 96 Y CA -0.509 57.626 58.100 0.058 0.000 1.206 96 Y CB 1.262 39.739 38.460 0.028 0.000 1.195 96 Y HN 0.490 nan 8.280 nan 0.000 0.497 97 V N 7.700 127.320 119.914 -0.489 0.000 2.350 97 V HA 0.501 4.624 4.120 0.005 0.000 0.285 97 V C 0.626 176.332 176.094 -0.647 0.000 1.014 97 V CA -0.342 61.728 62.300 -0.384 0.000 0.831 97 V CB 0.698 32.447 31.823 -0.123 0.000 1.000 97 V HN 1.063 nan 8.190 nan 0.000 0.433 98 G N 2.640 111.098 108.800 -0.571 0.000 2.535 98 G HA2 0.785 4.747 3.960 0.005 0.000 0.282 98 G HA3 0.785 4.747 3.960 0.005 0.000 0.282 98 G C 0.215 175.063 174.900 -0.087 0.000 1.350 98 G CA 0.112 45.014 45.100 -0.330 0.000 1.039 98 G HN 1.484 nan 8.290 nan 0.000 0.509 99 G N -2.765 106.041 108.800 0.010 0.000 2.343 99 G HA2 0.440 4.403 3.960 0.005 0.000 0.465 99 G HA3 0.440 4.403 3.960 0.005 0.000 0.465 99 G C 0.847 175.767 174.900 0.033 0.000 1.282 99 G CA 0.425 45.538 45.100 0.021 0.000 0.996 99 G HN 1.621 nan 8.290 nan 0.000 0.521 100 A N -0.925 121.912 122.820 0.027 0.000 2.024 100 A HA 0.221 4.543 4.320 0.005 0.000 0.220 100 A C 1.111 178.712 177.584 0.028 0.000 1.164 100 A CA 2.481 54.532 52.037 0.025 0.000 0.643 100 A CB -0.099 18.913 19.000 0.020 0.000 0.806 100 A HN 0.661 nan 8.150 nan 0.000 0.451 101 E N 0.051 120.272 120.200 0.035 0.000 2.437 101 E HA 0.520 4.873 4.350 0.005 0.000 0.238 101 E C -0.724 175.920 176.600 0.075 0.000 0.969 101 E CA -0.267 56.164 56.400 0.051 0.000 0.759 101 E CB 1.088 30.821 29.700 0.055 0.000 1.283 101 E HN 0.390 nan 8.360 nan 0.000 0.416 102 A N 3.911 126.790 122.820 0.099 0.000 2.425 102 A HA 0.411 4.734 4.320 0.005 0.000 0.242 102 A C 0.226 178.004 177.584 0.325 0.000 1.077 102 A CA 0.094 52.229 52.037 0.162 0.000 0.781 102 A CB 0.489 19.672 19.000 0.304 0.000 1.020 102 A HN 0.649 nan 8.150 nan 0.000 0.494 103 R N 0.629 121.296 120.500 0.279 0.000 2.698 103 R HA 0.626 4.969 4.340 0.005 0.000 0.275 103 R C -1.770 174.646 176.300 0.194 0.000 1.001 103 R CA -0.560 55.742 56.100 0.337 0.000 0.896 103 R CB 1.448 31.859 30.300 0.185 0.000 1.218 103 R HN 0.692 nan 8.270 nan 0.000 0.462 104 I N 3.426 124.106 120.570 0.183 0.000 2.382 104 I HA 0.328 4.501 4.170 0.005 0.000 0.286 104 I C -0.714 175.585 176.117 0.302 0.000 1.002 104 I CA -0.936 60.442 61.300 0.129 0.000 1.135 104 I CB 1.746 39.680 38.000 -0.110 0.000 1.288 104 I HN 0.407 nan 8.210 nan 0.000 0.448 105 N N 4.865 123.708 118.700 0.238 0.000 2.419 105 N HA 0.463 5.206 4.740 0.005 0.000 0.277 105 N C -0.391 175.271 175.510 0.254 0.000 1.006 105 N CA -0.262 52.931 53.050 0.239 0.000 0.923 105 N CB 2.080 40.661 38.487 0.156 0.000 1.140 105 N HN 0.649 nan 8.380 nan 0.000 0.488 106 T N -1.099 113.642 114.554 0.312 0.000 2.906 106 T HA 0.534 4.887 4.350 0.005 0.000 0.295 106 T C -0.571 174.276 174.700 0.244 0.000 1.075 106 T CA -0.870 61.410 62.100 0.299 0.000 1.005 106 T CB 1.951 71.096 68.868 0.461 0.000 1.136 106 T HN 0.295 nan 8.240 nan 0.000 0.498 107 Q N 1.010 120.893 119.800 0.139 0.000 2.345 107 Q HA 0.614 4.957 4.340 0.005 0.000 0.268 107 Q C -1.028 174.970 176.000 -0.003 0.000 1.054 107 Q CA -1.003 54.803 55.803 0.005 0.000 0.835 107 Q CB 2.357 31.055 28.738 -0.067 0.000 1.339 107 Q HN 0.840 nan 8.270 nan 0.000 0.447 108 W N 1.686 122.881 121.300 -0.176 0.000 3.031 108 W HA 0.735 5.396 4.660 0.001 0.000 0.337 108 W C -2.158 174.169 176.519 -0.320 0.000 1.187 108 W CA -1.074 56.027 57.345 -0.406 0.000 1.166 108 W CB 0.737 29.693 29.460 -0.840 0.000 1.437 108 W HN 0.438 nan 8.180 nan 0.000 0.551 109 L N 3.263 124.517 121.223 0.052 0.000 2.376 109 L HA 0.499 4.842 4.340 0.005 0.000 0.275 109 L C -0.727 176.180 176.870 0.062 0.000 0.987 109 L CA -0.921 53.946 54.840 0.045 0.000 0.828 109 L CB 2.209 44.238 42.059 -0.049 0.000 1.249 109 L HN 0.440 nan 8.230 nan 0.000 0.409 110 L N 3.151 124.467 121.223 0.154 0.000 2.294 110 L HA 0.527 4.870 4.340 0.005 0.000 0.283 110 L C -0.570 176.313 176.870 0.022 0.000 1.015 110 L CA 0.054 54.918 54.840 0.039 0.000 0.831 110 L CB 1.415 43.479 42.059 0.010 0.000 1.217 110 L HN 0.558 nan 8.230 nan 0.000 0.420 111 T N 2.563 117.118 114.554 0.001 0.000 2.771 111 T HA 0.391 4.744 4.350 0.005 0.000 0.281 111 T C -0.160 174.545 174.700 0.009 0.000 0.982 111 T CA -0.370 61.727 62.100 -0.006 0.000 0.978 111 T CB 1.415 70.274 68.868 -0.014 0.000 0.930 111 T HN 0.555 nan 8.240 nan 0.000 0.447 112 S N 1.735 117.431 115.700 -0.007 0.000 2.525 112 S HA 0.612 5.085 4.470 0.005 0.000 0.290 112 S C 0.859 175.457 174.600 -0.004 0.000 1.152 112 S CA -0.900 57.304 58.200 0.007 0.000 1.072 112 S CB 1.311 64.501 63.200 -0.016 0.000 1.027 112 S HN 0.910 nan 8.310 nan 0.000 0.500 113 G N 1.982 110.794 108.800 0.020 0.000 2.380 113 G HA2 0.420 4.383 3.960 0.005 0.000 0.242 113 G HA3 0.420 4.383 3.960 0.005 0.000 0.242 113 G C 0.070 174.950 174.900 -0.033 0.000 1.298 113 G CA -0.120 44.974 45.100 -0.011 0.000 0.878 113 G HN 0.721 nan 8.290 nan 0.000 0.542 114 T N -0.986 113.539 114.554 -0.048 0.000 2.903 114 T HA 0.686 5.039 4.350 0.005 0.000 0.299 114 T C 0.435 175.109 174.700 -0.043 0.000 1.093 114 T CA -0.151 61.913 62.100 -0.059 0.000 1.002 114 T CB 1.509 70.322 68.868 -0.092 0.000 1.127 114 T HN 0.855 nan 8.240 nan 0.000 0.488 115 T N 0.092 114.625 114.554 -0.036 0.000 2.748 115 T HA 0.257 4.610 4.350 0.005 0.000 0.304 115 T C 1.178 175.875 174.700 -0.005 0.000 1.041 115 T CA -0.175 61.915 62.100 -0.017 0.000 1.033 115 T CB 0.221 69.086 68.868 -0.005 0.000 0.995 115 T HN 0.751 nan 8.240 nan 0.000 0.536 116 E N 0.834 121.039 120.200 0.009 0.000 2.085 116 E HA -0.103 4.250 4.350 0.005 0.000 0.194 116 E C 2.469 179.102 176.600 0.056 0.000 0.994 116 E CA 1.239 57.654 56.400 0.026 0.000 0.801 116 E CB -0.561 29.154 29.700 0.025 0.000 0.743 116 E HN 0.775 nan 8.360 nan 0.000 0.453 117 A N 1.354 124.211 122.820 0.062 0.000 2.019 117 A HA -0.151 4.172 4.320 0.005 0.000 0.219 117 A C 1.635 179.332 177.584 0.188 0.000 1.164 117 A CA 1.302 53.407 52.037 0.112 0.000 0.644 117 A CB -0.168 18.887 19.000 0.092 0.000 0.805 117 A HN 0.102 nan 8.150 nan 0.000 0.449 118 N N -0.602 118.140 118.700 0.071 0.000 2.230 118 N HA 0.241 4.984 4.740 0.005 0.000 0.202 118 N C 1.356 176.728 175.510 -0.230 0.000 1.119 118 N CA 0.750 53.748 53.050 -0.087 0.000 0.851 118 N CB 0.136 38.546 38.487 -0.128 0.000 0.990 118 N HN 0.419 nan 8.380 nan 0.000 0.497 119 A N 1.048 123.843 122.820 -0.042 0.000 2.070 119 A HA -0.115 4.208 4.320 0.005 0.000 0.220 119 A C 1.868 179.427 177.584 -0.042 0.000 1.159 119 A CA 0.703 52.713 52.037 -0.044 0.000 0.656 119 A CB -0.867 18.145 19.000 0.020 0.000 0.800 119 A HN 0.615 nan 8.150 nan 0.000 0.453 120 W N 1.175 122.471 121.300 -0.007 0.000 2.421 120 W HA -0.099 4.563 4.660 0.003 0.000 0.270 120 W C 0.856 177.370 176.519 -0.009 0.000 1.233 120 W CA 1.205 58.545 57.345 -0.009 0.000 1.226 120 W CB -0.502 28.953 29.460 -0.009 0.000 1.121 120 W HN 0.512 nan 8.180 nan 0.000 0.579 121 K N 1.390 121.260 120.400 -0.883 0.000 2.593 121 K HA 0.238 4.561 4.320 0.005 0.000 0.208 121 K C 1.332 177.679 176.600 -0.422 0.000 1.051 121 K CA 0.606 56.394 56.287 -0.832 0.000 1.111 121 K CB -0.072 31.573 32.500 -1.425 0.000 0.849 121 K HN -0.033 nan 8.250 nan 0.000 0.479 122 S N -0.186 115.357 115.700 -0.261 0.000 2.461 122 S HA -0.016 4.456 4.470 0.005 0.000 0.228 122 S C 0.486 175.029 174.600 -0.094 0.000 1.005 122 S CA 0.165 58.274 58.200 -0.152 0.000 0.942 122 S CB -0.174 62.967 63.200 -0.099 0.000 0.776 122 S HN 0.225 nan 8.310 nan 0.000 0.514 123 T N 2.410 116.917 114.554 -0.077 0.000 2.847 123 T HA 0.577 4.929 4.350 0.005 0.000 0.291 123 T C -0.640 174.044 174.700 -0.027 0.000 0.998 123 T CA -0.609 61.469 62.100 -0.037 0.000 0.967 123 T CB 1.502 70.352 68.868 -0.030 0.000 0.954 123 T HN 0.176 nan 8.240 nan 0.000 0.441 124 L N 2.756 123.989 121.223 0.016 0.000 2.379 124 L HA 0.783 5.126 4.340 0.005 0.000 0.269 124 L C -0.053 176.795 176.870 -0.037 0.000 1.084 124 L CA -0.923 53.938 54.840 0.036 0.000 0.802 124 L CB 1.410 43.570 42.059 0.168 0.000 1.175 124 L HN 0.339 nan 8.230 nan 0.000 0.448 125 V N 1.293 121.044 119.914 -0.272 0.000 2.823 125 V HA 0.977 5.100 4.120 0.005 0.000 0.312 125 V C -0.169 175.267 176.094 -1.097 0.000 1.072 125 V CA 0.149 62.088 62.300 -0.602 0.000 0.937 125 V CB 1.810 33.430 31.823 -0.338 0.000 1.013 125 V HN 0.867 nan 8.190 nan 0.000 0.430 126 G N 3.791 111.469 108.800 -1.870 0.000 2.634 126 G HA2 0.677 4.640 3.960 0.005 0.000 0.309 126 G HA3 0.677 4.640 3.960 0.005 0.000 0.309 126 G C -1.616 172.572 174.900 -1.186 0.000 1.299 126 G CA -0.212 43.957 45.100 -1.553 0.000 0.798 126 G HN 1.499 nan 8.290 nan 0.000 0.490 127 H N -1.479 117.270 119.070 -0.535 0.000 2.865 127 H HA 0.782 5.340 4.556 0.004 0.000 0.362 127 H C -2.031 173.434 175.328 0.227 0.000 1.114 127 H CA -0.865 55.109 56.048 -0.122 0.000 1.208 127 H CB 2.765 32.477 29.762 -0.084 0.000 1.727 127 H HN 0.382 nan 8.280 nan 0.000 0.534 128 D N 1.182 121.826 120.400 0.407 0.000 2.780 128 D HA 0.341 4.984 4.640 0.005 0.000 0.242 128 D C -0.960 175.444 176.300 0.173 0.000 1.135 128 D CA -0.371 53.786 54.000 0.262 0.000 0.859 128 D CB 2.742 43.794 40.800 0.419 0.000 1.530 128 D HN 0.622 nan 8.370 nan 0.000 0.493 129 T N 2.379 116.949 114.554 0.025 0.000 2.797 129 T HA 0.616 4.968 4.350 0.005 0.000 0.279 129 T C -1.031 173.656 174.700 -0.022 0.000 0.991 129 T CA -0.387 61.775 62.100 0.104 0.000 0.979 129 T CB 0.091 69.052 68.868 0.156 0.000 0.943 129 T HN 0.133 nan 8.240 nan 0.000 0.444 130 F N 2.729 122.853 119.950 0.290 0.000 2.480 130 F HA 0.638 5.167 4.527 0.004 0.000 0.329 130 F C 1.041 177.157 175.800 0.528 0.000 1.091 130 F CA -0.557 57.676 58.000 0.388 0.000 0.972 130 F CB 2.358 41.562 39.000 0.340 0.000 1.150 130 F HN 0.602 nan 8.300 nan 0.000 0.467 131 T N -1.825 113.175 114.554 0.744 0.000 2.864 131 T HA 0.404 4.757 4.350 0.005 0.000 0.289 131 T C 0.156 175.105 174.700 0.414 0.000 1.082 131 T CA -1.040 61.425 62.100 0.609 0.000 1.009 131 T CB 2.029 71.095 68.868 0.329 0.000 1.234 131 T HN 0.565 nan 8.240 nan 0.000 0.526 132 K N 0.173 120.577 120.400 0.007 0.000 2.444 132 K HA 0.312 4.635 4.320 0.005 0.000 0.193 132 K C 0.275 176.941 176.600 0.109 0.000 1.024 132 K CA 0.047 56.216 56.287 -0.197 0.000 1.077 132 K CB 0.071 32.255 32.500 -0.527 0.000 0.833 132 K HN 0.398 nan 8.250 nan 0.000 0.517 133 V N 0.000 120.009 119.914 0.158 0.000 2.409 133 V HA 0.000 4.123 4.120 0.005 0.000 0.244 133 V CA 0.000 62.341 62.300 0.069 0.000 1.235 133 V CB 0.000 31.838 31.823 0.024 0.000 1.184 133 V HN 0.000 nan 8.190 nan 0.000 0.556