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_D 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 3.963 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 45.035 45.100 -0.108 0.000 0.502 17 I N 2.360 122.626 120.570 -0.508 0.000 2.394 17 I HA 0.037 4.210 4.170 0.005 0.000 0.251 17 I C 1.098 177.149 176.117 -0.111 0.000 1.136 17 I CA 0.945 62.017 61.300 -0.381 0.000 1.425 17 I CB -0.251 37.361 38.000 -0.647 0.000 1.079 17 I HN 0.096 nan 8.210 nan 0.000 0.425 18 T N 1.497 115.933 114.554 -0.197 0.000 2.916 18 T HA 0.441 4.794 4.350 0.005 0.000 0.303 18 T C 0.364 174.972 174.700 -0.153 0.000 1.025 18 T CA 0.709 62.699 62.100 -0.183 0.000 1.142 18 T CB 0.831 69.594 68.868 -0.175 0.000 0.947 18 T HN 0.660 nan 8.240 nan 0.000 0.544 19 G N 2.478 111.154 108.800 -0.208 0.000 2.278 19 G HA2 0.190 4.153 3.960 0.005 0.000 0.265 19 G HA3 0.190 4.153 3.960 0.005 0.000 0.265 19 G C -0.930 173.746 174.900 -0.373 0.000 1.329 19 G CA -0.869 44.059 45.100 -0.287 0.000 1.017 19 G HN 0.713 nan 8.290 nan 0.000 0.472 20 T N 0.733 114.994 114.554 -0.489 0.000 2.779 20 T HA 0.634 4.987 4.350 0.005 0.000 0.280 20 T C -1.145 173.109 174.700 -0.744 0.000 0.987 20 T CA 0.114 61.905 62.100 -0.516 0.000 0.966 20 T CB 1.015 69.646 68.868 -0.395 0.000 0.933 20 T HN 0.485 nan 8.240 nan 0.000 0.442 21 W N 1.750 122.675 121.300 -0.626 0.000 2.882 21 W HA 0.680 5.346 4.660 0.011 0.000 0.345 21 W C -1.226 174.965 176.519 -0.547 0.000 1.125 21 W CA -0.903 56.197 57.345 -0.408 0.000 1.167 21 W CB 1.222 30.638 29.460 -0.073 0.000 1.431 21 W HN 0.536 nan 8.180 nan 0.000 0.543 22 Y N 1.844 122.458 120.300 0.524 0.000 2.477 22 Y HA 0.316 4.870 4.550 0.006 0.000 0.347 22 Y C 0.384 176.494 175.900 0.350 0.000 0.981 22 Y CA -1.438 56.884 58.100 0.369 0.000 1.033 22 Y CB 1.260 39.828 38.460 0.180 0.000 1.245 22 Y HN 0.399 nan 8.280 nan 0.000 0.455 23 N N 1.058 119.931 118.700 0.289 0.000 2.478 23 N HA 0.084 4.827 4.740 0.005 0.000 0.275 23 N C 0.857 176.392 175.510 0.041 0.000 1.221 23 N CA -0.669 52.324 53.050 -0.097 0.000 0.979 23 N CB 0.510 38.754 38.487 -0.404 0.000 1.202 23 N HN 0.763 nan 8.380 nan 0.000 0.564 24 Q N -0.451 119.339 119.800 -0.018 0.000 2.248 24 Q HA -0.146 4.197 4.340 0.005 0.000 0.208 24 Q C 0.912 176.933 176.000 0.035 0.000 0.984 24 Q CA 1.618 57.433 55.803 0.021 0.000 0.875 24 Q CB -0.479 28.263 28.738 0.007 0.000 0.910 24 Q HN 0.687 nan 8.270 nan 0.000 0.433 25 L N -0.754 120.495 121.223 0.042 0.000 2.640 25 L HA 0.341 4.684 4.340 0.005 0.000 0.230 25 L C 1.143 178.054 176.870 0.069 0.000 1.123 25 L CA 0.419 55.289 54.840 0.051 0.000 0.900 25 L CB 0.637 42.729 42.059 0.054 0.000 1.146 25 L HN 0.457 nan 8.230 nan 0.000 0.484 26 G N -0.817 108.040 108.800 0.095 0.000 2.163 26 G HA2 -0.228 3.735 3.960 0.005 0.000 0.213 26 G HA3 -0.228 3.735 3.960 0.005 0.000 0.213 26 G C 0.224 175.212 174.900 0.147 0.000 0.991 26 G CA 0.007 45.169 45.100 0.104 0.000 0.653 26 G HN 0.204 nan 8.290 nan 0.000 0.518 27 S N 0.647 116.449 115.700 0.170 0.000 2.586 27 S HA 0.678 5.151 4.470 0.005 0.000 0.274 27 S C 0.312 174.980 174.600 0.114 0.000 1.281 27 S CA 0.241 58.522 58.200 0.136 0.000 1.035 27 S CB 1.515 64.840 63.200 0.208 0.000 0.962 27 S HN 0.417 nan 8.310 nan 0.000 0.512 28 T N 3.274 117.803 114.554 -0.041 0.000 2.807 28 T HA 0.508 4.861 4.350 0.005 0.000 0.279 28 T C -1.080 173.466 174.700 -0.256 0.000 0.993 28 T CA -0.364 61.692 62.100 -0.073 0.000 0.970 28 T CB 0.568 69.441 68.868 0.009 0.000 0.950 28 T HN 0.456 nan 8.240 nan 0.000 0.441 29 F N 4.495 124.212 119.950 -0.389 0.000 2.500 29 F HA 0.630 5.159 4.527 0.004 0.000 0.349 29 F C -1.450 174.171 175.800 -0.299 0.000 1.127 29 F CA -1.664 56.078 58.000 -0.431 0.000 0.998 29 F CB 0.367 39.038 39.000 -0.549 0.000 1.237 29 F HN 0.437 nan 8.300 nan 0.000 0.439 30 I N 7.615 127.916 120.570 -0.448 0.000 2.297 30 I HA 0.428 4.601 4.170 0.005 0.000 0.291 30 I C -0.618 175.148 176.117 -0.585 0.000 1.033 30 I CA -0.913 60.103 61.300 -0.473 0.000 1.253 30 I CB 1.092 38.935 38.000 -0.260 0.000 1.396 30 I HN 0.433 nan 8.210 nan 0.000 0.476 31 V N 2.104 121.587 119.914 -0.719 0.000 2.715 31 V HA 0.650 4.773 4.120 0.005 0.000 0.310 31 V C -0.033 175.842 176.094 -0.364 0.000 1.054 31 V CA -0.530 61.397 62.300 -0.622 0.000 0.928 31 V CB 1.677 33.017 31.823 -0.805 0.000 1.007 31 V HN 0.628 nan 8.190 nan 0.000 0.437 32 T N 2.744 117.138 114.554 -0.268 0.000 2.786 32 T HA 0.719 5.072 4.350 0.005 0.000 0.283 32 T C 0.010 174.601 174.700 -0.180 0.000 0.992 32 T CA -0.097 61.886 62.100 -0.194 0.000 0.954 32 T CB 1.410 70.202 68.868 -0.127 0.000 0.934 32 T HN 1.212 nan 8.240 nan 0.000 0.440 33 A N 2.886 125.574 122.820 -0.221 0.000 2.252 33 A HA 0.743 5.066 4.320 0.005 0.000 0.309 33 A C 0.725 178.294 177.584 -0.025 0.000 1.285 33 A CA -0.602 51.282 52.037 -0.254 0.000 0.900 33 A CB 0.217 18.831 19.000 -0.644 0.000 1.157 33 A HN 0.931 nan 8.150 nan 0.000 0.536 34 G N 0.342 109.239 108.800 0.163 0.000 2.437 34 G HA2 0.508 4.471 3.960 0.005 0.000 0.319 34 G HA3 0.508 4.471 3.960 0.005 0.000 0.319 34 G C 1.014 176.031 174.900 0.196 0.000 1.158 34 G CA 0.072 45.256 45.100 0.140 0.000 0.899 34 G HN 1.231 nan 8.290 nan 0.000 0.502 35 A N 0.470 123.346 122.820 0.095 0.000 1.948 35 A HA -0.065 4.258 4.320 0.005 0.000 0.220 35 A C 1.361 178.953 177.584 0.013 0.000 1.177 35 A CA 1.996 54.071 52.037 0.063 0.000 0.636 35 A CB -0.125 18.893 19.000 0.030 0.000 0.815 35 A HN 0.491 nan 8.150 nan 0.000 0.449 36 D N -2.184 118.210 120.400 -0.009 0.000 2.863 36 D HA 0.435 5.077 4.640 0.005 0.000 0.323 36 D C 0.757 176.977 176.300 -0.134 0.000 1.286 36 D CA 0.738 54.694 54.000 -0.074 0.000 0.921 36 D CB -0.308 40.462 40.800 -0.050 0.000 1.024 36 D HN 0.500 nan 8.370 nan 0.000 0.505 37 G N 0.603 109.238 108.800 -0.274 0.000 2.159 37 G HA2 -0.178 3.785 3.960 0.005 0.000 0.256 37 G HA3 -0.178 3.785 3.960 0.005 0.000 0.256 37 G C 0.586 175.440 174.900 -0.077 0.000 0.977 37 G CA 0.055 44.838 45.100 -0.528 0.000 0.652 37 G HN 0.722 nan 8.290 nan 0.000 0.531 38 A N -0.306 122.571 122.820 0.095 0.000 2.340 38 A HA 0.765 5.088 4.320 0.005 0.000 0.268 38 A C -0.197 177.526 177.584 0.232 0.000 1.100 38 A CA -0.064 52.057 52.037 0.139 0.000 0.803 38 A CB 0.913 19.959 19.000 0.077 0.000 1.043 38 A HN 0.899 nan 8.150 nan 0.000 0.488 39 L N 2.167 123.488 121.223 0.164 0.000 2.333 39 L HA 0.650 4.993 4.340 0.005 0.000 0.280 39 L C 0.449 177.333 176.870 0.024 0.000 1.004 39 L CA 0.348 55.233 54.840 0.074 0.000 0.820 39 L CB 1.626 43.749 42.059 0.108 0.000 1.247 39 L HN 0.940 nan 8.230 nan 0.000 0.416 40 T N 0.304 114.834 114.554 -0.040 0.000 2.906 40 T HA 1.001 5.354 4.350 0.005 0.000 0.295 40 T C -0.194 174.449 174.700 -0.095 0.000 1.061 40 T CA -0.165 61.912 62.100 -0.039 0.000 1.000 40 T CB 2.331 71.185 68.868 -0.023 0.000 1.103 40 T HN 0.969 nan 8.240 nan 0.000 0.486 41 G N 0.821 109.583 108.800 -0.063 0.000 2.367 41 G HA2 0.525 4.488 3.960 0.005 0.000 0.272 41 G HA3 0.525 4.488 3.960 0.005 0.000 0.272 41 G C -0.817 174.072 174.900 -0.019 0.000 1.271 41 G CA -0.089 44.956 45.100 -0.091 0.000 0.893 41 G HN 1.669 nan 8.290 nan 0.000 0.485 42 T N -2.689 111.859 114.554 -0.009 0.000 2.909 42 T HA 0.676 5.029 4.350 0.005 0.000 0.299 42 T C -1.671 173.128 174.700 0.166 0.000 1.073 42 T CA -0.582 61.568 62.100 0.085 0.000 0.999 42 T CB 2.398 71.299 68.868 0.054 0.000 1.098 42 T HN 1.041 nan 8.240 nan 0.000 0.477 43 Y N 0.999 121.389 120.300 0.150 0.000 2.341 43 Y HA 0.572 5.125 4.550 0.006 0.000 0.338 43 Y C -0.003 176.085 175.900 0.313 0.000 0.965 43 Y CA -0.496 57.738 58.100 0.223 0.000 1.108 43 Y CB 1.312 39.900 38.460 0.213 0.000 1.180 43 Y HN 0.851 nan 8.280 nan 0.000 0.458 44 E N 2.498 122.754 120.200 0.093 0.000 2.423 44 E HA 0.802 5.155 4.350 0.005 0.000 0.269 44 E C -1.183 175.523 176.600 0.176 0.000 0.948 44 E CA -1.173 55.357 56.400 0.216 0.000 0.802 44 E CB 2.273 32.044 29.700 0.118 0.000 1.339 44 E HN 0.525 nan 8.360 nan 0.000 0.445 50 A N -0.082 122.703 122.820 -0.059 0.000 1.978 50 A HA -0.185 4.138 4.320 0.005 0.000 0.220 50 A C 1.378 178.938 177.584 -0.040 0.000 1.170 50 A CA 1.764 53.790 52.037 -0.019 0.000 0.636 50 A CB -0.790 18.226 19.000 0.027 0.000 0.810 50 A HN 0.705 nan 8.150 nan 0.000 0.448 51 E N 0.658 120.732 120.200 -0.210 0.000 2.409 51 E HA -0.105 4.248 4.350 0.005 0.000 0.198 51 E C 1.434 178.022 176.600 -0.019 0.000 1.024 51 E CA 1.201 57.503 56.400 -0.162 0.000 0.861 51 E CB -0.634 28.904 29.700 -0.270 0.000 0.788 51 E HN 0.692 nan 8.360 nan 0.000 0.521 52 S N 0.110 115.818 115.700 0.014 0.000 2.568 52 S HA 0.204 4.677 4.470 0.005 0.000 0.232 52 S C 0.534 175.247 174.600 0.190 0.000 0.975 52 S CA -0.708 57.594 58.200 0.169 0.000 0.949 52 S CB -0.001 63.313 63.200 0.189 0.000 0.829 52 S HN 0.021 nan 8.310 nan 0.000 0.479 53 R N 0.774 121.226 120.500 -0.081 0.000 2.295 53 R HA 0.592 4.935 4.340 0.005 0.000 0.324 53 R C -1.796 174.349 176.300 -0.259 0.000 0.968 53 R CA -0.432 55.659 56.100 -0.015 0.000 0.837 53 R CB 0.543 30.854 30.300 0.020 0.000 1.133 53 R HN 0.377 nan 8.270 nan 0.000 0.450 54 Y N 1.865 122.283 120.300 0.196 0.000 2.545 54 Y HA 0.352 4.905 4.550 0.005 0.000 0.348 54 Y C -0.243 175.705 175.900 0.080 0.000 1.002 54 Y CA -1.100 57.076 58.100 0.125 0.000 1.039 54 Y CB 1.693 40.207 38.460 0.091 0.000 1.271 54 Y HN 0.140 nan 8.280 nan 0.000 0.467 55 V N 4.251 124.273 119.914 0.181 0.000 2.614 55 V HA 0.295 4.418 4.120 0.005 0.000 0.291 55 V C -0.143 176.004 176.094 0.088 0.000 1.049 55 V CA -0.329 62.033 62.300 0.102 0.000 1.038 55 V CB 0.501 32.359 31.823 0.058 0.000 0.980 55 V HN 0.599 nan 8.190 nan 0.000 0.481 56 L N 2.897 124.174 121.223 0.090 0.000 2.323 56 L HA 1.042 5.385 4.340 0.005 0.000 0.265 56 L C -0.385 176.539 176.870 0.090 0.000 1.012 56 L CA -0.180 54.724 54.840 0.108 0.000 0.820 56 L CB 2.356 44.498 42.059 0.139 0.000 1.334 56 L HN 0.556 nan 8.230 nan 0.000 0.427 57 T N -0.030 114.606 114.554 0.137 0.000 2.889 57 T HA 0.880 5.233 4.350 0.005 0.000 0.315 57 T C -0.575 174.243 174.700 0.196 0.000 1.291 57 T CA 0.131 62.305 62.100 0.123 0.000 1.028 57 T CB 1.540 70.455 68.868 0.078 0.000 1.235 57 T HN 1.367 nan 8.240 nan 0.000 0.491 58 G N 2.306 111.214 108.800 0.180 0.000 2.494 58 G HA2 0.679 4.641 3.960 0.005 0.000 0.308 58 G HA3 0.679 4.641 3.960 0.005 0.000 0.308 58 G C -2.045 172.967 174.900 0.187 0.000 1.263 58 G CA -0.757 44.476 45.100 0.222 0.000 0.840 58 G HN 0.728 nan 8.290 nan 0.000 0.479 59 R N -1.035 119.592 120.500 0.212 0.000 2.740 59 R HA 0.590 4.933 4.340 0.005 0.000 0.273 59 R C -1.646 174.816 176.300 0.271 0.000 0.998 59 R CA -0.656 55.556 56.100 0.187 0.000 0.900 59 R CB 1.711 32.064 30.300 0.088 0.000 1.223 59 R HN 0.898 nan 8.270 nan 0.000 0.466 60 Y N -2.235 118.099 120.300 0.057 0.000 2.615 60 Y HA 0.434 4.988 4.550 0.007 0.000 0.341 60 Y C -0.623 175.301 175.900 0.041 0.000 1.089 60 Y CA -1.610 56.523 58.100 0.055 0.000 1.049 60 Y CB 0.986 39.466 38.460 0.034 0.000 1.296 60 Y HN 0.426 nan 8.280 nan 0.000 0.470 61 D N 1.472 121.906 120.400 0.056 0.000 2.346 61 D HA 0.079 4.722 4.640 0.005 0.000 0.267 61 D C 0.770 177.013 176.300 -0.096 0.000 1.320 61 D CA 0.641 54.620 54.000 -0.036 0.000 0.951 61 D CB 0.735 41.573 40.800 0.064 0.000 1.079 61 D HN 0.691 nan 8.370 nan 0.000 0.509 62 S N 2.323 117.816 115.700 -0.345 0.000 2.603 62 S HA 0.184 4.657 4.470 0.005 0.000 0.220 62 S C 0.855 175.433 174.600 -0.037 0.000 0.967 62 S CA -0.063 57.973 58.200 -0.274 0.000 0.920 62 S CB 0.325 63.289 63.200 -0.393 0.000 0.773 62 S HN 0.449 nan 8.310 nan 0.000 0.529 63 A N 2.393 125.204 122.820 -0.016 0.000 3.370 63 A HA 0.589 4.912 4.320 0.005 0.000 0.295 63 A C -2.533 175.075 177.584 0.041 0.000 1.030 63 A CA -1.303 50.745 52.037 0.019 0.000 0.883 63 A CB 0.340 19.340 19.000 -0.000 0.000 1.191 63 A HN 0.354 nan 8.150 nan 0.000 0.507 64 P HA 0.378 nan 4.420 nan 0.000 0.272 64 P C 0.409 177.748 177.300 0.065 0.000 1.254 64 P CA -0.040 63.109 63.100 0.082 0.000 0.795 64 P CB 0.620 32.394 31.700 0.123 0.000 1.022 65 A N 0.291 123.149 122.820 0.062 0.000 2.386 65 A HA 0.345 4.668 4.320 0.005 0.000 0.248 65 A C 1.151 178.768 177.584 0.055 0.000 1.082 65 A CA 0.353 52.420 52.037 0.051 0.000 0.789 65 A CB -0.562 18.465 19.000 0.046 0.000 1.025 65 A HN 0.644 nan 8.150 nan 0.000 0.490 66 T N -2.007 112.574 114.554 0.044 0.000 3.134 66 T HA 0.128 4.481 4.350 0.005 0.000 0.260 66 T C 0.299 175.022 174.700 0.038 0.000 1.027 66 T CA 0.541 62.667 62.100 0.044 0.000 0.913 66 T CB -0.193 68.698 68.868 0.038 0.000 1.046 66 T HN 0.684 nan 8.240 nan 0.000 0.553 67 D N 0.838 121.260 120.400 0.036 0.000 2.349 67 D HA 0.262 4.905 4.640 0.005 0.000 0.215 67 D C 1.674 177.993 176.300 0.030 0.000 1.016 67 D CA 0.628 54.646 54.000 0.030 0.000 0.870 67 D CB -0.480 40.336 40.800 0.027 0.000 0.917 67 D HN 0.558 nan 8.370 nan 0.000 0.524 68 G N -0.598 108.223 108.800 0.036 0.000 2.229 68 G HA2 -0.202 3.760 3.960 0.005 0.000 0.189 68 G HA3 -0.202 3.760 3.960 0.005 0.000 0.189 68 G C 0.288 175.209 174.900 0.035 0.000 1.000 68 G CA 0.034 45.154 45.100 0.033 0.000 0.663 68 G HN 0.397 nan 8.290 nan 0.000 0.493 69 S N 0.433 116.158 115.700 0.042 0.000 2.593 69 S HA 0.592 5.064 4.470 0.005 0.000 0.269 69 S C 1.107 175.744 174.600 0.060 0.000 1.334 69 S CA 0.101 58.328 58.200 0.046 0.000 1.015 69 S CB 1.507 64.735 63.200 0.048 0.000 0.912 69 S HN 1.254 nan 8.310 nan 0.000 0.541 70 G N 0.201 109.039 108.800 0.063 0.000 2.563 70 G HA2 0.468 4.431 3.960 0.005 0.000 0.283 70 G HA3 0.468 4.431 3.960 0.005 0.000 0.283 70 G C -0.751 174.232 174.900 0.139 0.000 1.309 70 G CA -0.617 44.535 45.100 0.087 0.000 1.022 70 G HN 0.596 nan 8.290 nan 0.000 0.501 71 T N 0.822 115.505 114.554 0.215 0.000 2.753 71 T HA 0.548 4.901 4.350 0.005 0.000 0.297 71 T C 0.563 175.393 174.700 0.217 0.000 0.981 71 T CA -0.028 62.215 62.100 0.239 0.000 0.956 71 T CB 1.050 70.113 68.868 0.325 0.000 0.936 71 T HN 0.803 nan 8.240 nan 0.000 0.463 72 A N 4.125 127.046 122.820 0.168 0.000 2.477 72 A HA 0.614 4.936 4.320 0.005 0.000 0.246 72 A C -0.121 177.577 177.584 0.190 0.000 1.078 72 A CA -0.158 51.970 52.037 0.151 0.000 0.770 72 A CB -0.403 18.660 19.000 0.106 0.000 1.011 72 A HN 0.812 nan 8.150 nan 0.000 0.494 73 L N -0.515 120.825 121.223 0.194 0.000 2.630 73 L HA 1.031 5.374 4.340 0.005 0.000 0.258 73 L C -0.086 176.913 176.870 0.215 0.000 1.072 73 L CA -0.138 54.847 54.840 0.242 0.000 0.885 73 L CB 1.221 43.454 42.059 0.289 0.000 1.502 73 L HN 1.141 nan 8.230 nan 0.000 0.406 74 G N -1.342 107.618 108.800 0.266 0.000 2.703 74 G HA2 0.640 4.603 3.960 0.005 0.000 0.294 74 G HA3 0.640 4.603 3.960 0.005 0.000 0.294 74 G C -2.425 172.697 174.900 0.370 0.000 1.451 74 G CA -0.216 45.003 45.100 0.199 0.000 0.869 74 G HN 1.334 nan 8.290 nan 0.000 0.516 75 W N -0.245 121.112 121.300 0.096 0.000 3.042 75 W HA 0.817 5.479 4.660 0.004 0.000 0.342 75 W C -0.979 175.622 176.519 0.136 0.000 1.240 75 W CA -1.267 56.122 57.345 0.072 0.000 1.166 75 W CB 1.125 30.583 29.460 -0.004 0.000 1.469 75 W HN 0.596 nan 8.180 nan 0.000 0.579 76 T N 1.657 116.384 114.554 0.288 0.000 2.876 76 T HA 0.633 4.985 4.350 0.005 0.000 0.289 76 T C -1.429 173.353 174.700 0.137 0.000 1.014 76 T CA -0.671 61.505 62.100 0.125 0.000 0.986 76 T CB 1.876 70.765 68.868 0.034 0.000 1.021 76 T HN 0.440 nan 8.240 nan 0.000 0.458 77 V N 1.989 121.869 119.914 -0.057 0.000 2.483 77 V HA 0.728 4.851 4.120 0.005 0.000 0.297 77 V C -0.067 175.620 176.094 -0.679 0.000 1.027 77 V CA -0.982 61.090 62.300 -0.381 0.000 0.855 77 V CB 1.564 32.967 31.823 -0.700 0.000 0.995 77 V HN 1.128 nan 8.190 nan 0.000 0.424 78 A N 4.036 126.564 122.820 -0.487 0.000 2.301 78 A HA 0.596 4.919 4.320 0.005 0.000 0.298 78 A C -0.605 176.656 177.584 -0.539 0.000 1.185 78 A CA -0.414 51.366 52.037 -0.429 0.000 0.830 78 A CB 0.262 19.178 19.000 -0.140 0.000 1.112 78 A HN 0.923 nan 8.150 nan 0.000 0.508 79 W N 2.689 123.920 121.300 -0.116 0.000 1.694 79 W HA 0.349 5.012 4.660 0.005 0.000 0.425 79 W C 0.698 177.255 176.519 0.062 0.000 0.615 79 W CA -0.092 57.103 57.345 -0.249 0.000 2.237 79 W CB 0.174 29.430 29.460 -0.340 0.000 1.478 79 W HN 0.539 nan 8.180 nan 0.000 0.427 80 K N 2.833 123.419 120.400 0.309 0.000 2.397 80 K HA 0.253 4.576 4.320 0.005 0.000 0.253 80 K C -0.430 176.361 176.600 0.319 0.000 0.932 80 K CA -0.459 56.002 56.287 0.289 0.000 0.795 80 K CB 1.067 33.644 32.500 0.129 0.000 1.159 80 K HN 0.239 nan 8.250 nan 0.000 0.424 81 N N 1.515 120.325 118.700 0.185 0.000 3.343 81 N HA 0.214 4.956 4.740 0.005 0.000 0.330 81 N C 0.008 175.452 175.510 -0.109 0.000 1.560 81 N CA -0.640 52.390 53.050 -0.034 0.000 0.752 81 N CB -0.014 38.312 38.487 -0.268 0.000 1.863 81 N HN 0.337 nan 8.380 nan 0.000 0.636 82 N N -1.184 117.334 118.700 -0.304 0.000 2.512 82 N HA -0.003 4.740 4.740 0.005 0.000 0.183 82 N C 0.215 175.443 175.510 -0.470 0.000 1.073 82 N CA 0.967 53.750 53.050 -0.444 0.000 0.911 82 N CB -0.245 37.852 38.487 -0.650 0.000 0.964 82 N HN 0.500 nan 8.380 nan 0.000 0.447 83 Y N -0.298 119.988 120.300 -0.023 0.000 2.558 83 Y HA 0.358 4.910 4.550 0.004 0.000 0.273 83 Y C 0.681 176.593 175.900 0.019 0.000 1.100 83 Y CA -0.113 57.983 58.100 -0.007 0.000 1.276 83 Y CB 0.565 39.011 38.460 -0.022 0.000 1.196 83 Y HN -0.226 nan 8.280 nan 0.000 0.527 84 R N 0.261 120.871 120.500 0.183 0.000 2.725 84 R HA 0.423 4.766 4.340 0.005 0.000 0.277 84 R C -1.564 174.837 176.300 0.167 0.000 0.987 84 R CA -0.819 55.387 56.100 0.175 0.000 0.901 84 R CB 1.561 32.009 30.300 0.246 0.000 1.207 84 R HN -0.159 nan 8.270 nan 0.000 0.463 85 N N 0.594 119.327 118.700 0.054 0.000 2.558 85 N HA 0.298 5.041 4.740 0.005 0.000 0.285 85 N C -0.958 174.424 175.510 -0.214 0.000 1.112 85 N CA -0.259 52.747 53.050 -0.074 0.000 0.857 85 N CB 2.043 40.390 38.487 -0.233 0.000 1.376 85 N HN 0.721 nan 8.380 nan 0.000 0.526 86 A N 2.120 124.913 122.820 -0.044 0.000 2.308 86 A HA 0.177 4.500 4.320 0.005 0.000 0.217 86 A C -0.013 177.601 177.584 0.050 0.000 1.216 86 A CA 0.072 52.092 52.037 -0.028 0.000 0.864 86 A CB -0.450 18.545 19.000 -0.009 0.000 0.902 86 A HN 0.773 nan 8.150 nan 0.000 0.499 87 H N 0.351 119.486 119.070 0.109 0.000 2.748 87 H HA -0.146 4.413 4.556 0.004 0.000 0.322 87 H C 0.095 175.468 175.328 0.076 0.000 1.208 87 H CA 0.775 56.869 56.048 0.076 0.000 1.151 87 H CB -2.056 27.733 29.762 0.046 0.000 1.505 87 H HN 0.889 nan 8.280 nan 0.000 0.429 88 S N -1.965 113.868 115.700 0.222 0.000 2.615 88 S HA 0.892 5.364 4.470 0.005 0.000 0.268 88 S C -0.891 173.852 174.600 0.237 0.000 1.146 88 S CA -0.510 57.810 58.200 0.201 0.000 0.818 88 S CB 2.705 66.014 63.200 0.181 0.000 1.111 88 S HN 0.993 nan 8.310 nan 0.000 0.465 89 A N 0.550 123.458 122.820 0.148 0.000 2.486 89 A HA 0.859 5.182 4.320 0.005 0.000 0.300 89 A C -0.588 177.002 177.584 0.010 0.000 1.048 89 A CA -0.694 51.333 52.037 -0.017 0.000 0.696 89 A CB 1.801 20.757 19.000 -0.074 0.000 1.278 89 A HN 0.851 nan 8.150 nan 0.000 0.405 90 T N 1.862 116.351 114.554 -0.108 0.000 2.856 90 T HA 0.727 5.080 4.350 0.005 0.000 0.283 90 T C -0.092 174.359 174.700 -0.416 0.000 1.008 90 T CA -0.026 61.889 62.100 -0.308 0.000 0.997 90 T CB 1.360 69.882 68.868 -0.577 0.000 0.992 90 T HN 1.030 nan 8.240 nan 0.000 0.454 91 T N 0.239 114.543 114.554 -0.417 0.000 2.841 91 T HA 0.621 4.973 4.350 0.005 0.000 0.283 91 T C -1.082 173.348 174.700 -0.449 0.000 1.000 91 T CA -0.876 61.034 62.100 -0.317 0.000 0.977 91 T CB 1.145 69.919 68.868 -0.155 0.000 0.979 91 T HN 0.522 nan 8.240 nan 0.000 0.446 92 W N 1.789 122.742 121.300 -0.578 0.000 2.475 92 W HA 0.577 5.236 4.660 -0.001 0.000 0.317 92 W C -0.007 176.216 176.519 -0.493 0.000 1.046 92 W CA -0.824 56.135 57.345 -0.644 0.000 1.215 92 W CB 2.204 30.800 29.460 -1.439 0.000 1.335 92 W HN 0.697 nan 8.180 nan 0.000 0.471 93 S N 2.039 117.711 115.700 -0.047 0.000 2.519 93 S HA 0.865 5.338 4.470 0.005 0.000 0.309 93 S C -0.057 174.577 174.600 0.057 0.000 1.100 93 S CA -0.033 58.167 58.200 -0.000 0.000 1.059 93 S CB 1.174 64.371 63.200 -0.005 0.000 1.008 93 S HN 0.744 nan 8.310 nan 0.000 0.478 94 G N 2.805 111.659 108.800 0.089 0.000 2.500 94 G HA2 0.543 4.506 3.960 0.005 0.000 0.299 94 G HA3 0.543 4.506 3.960 0.005 0.000 0.299 94 G C -2.188 172.798 174.900 0.142 0.000 1.242 94 G CA -0.714 44.461 45.100 0.124 0.000 0.859 94 G HN 0.836 nan 8.290 nan 0.000 0.481 95 Q N -1.179 118.713 119.800 0.154 0.000 2.340 95 Q HA 0.571 4.914 4.340 0.005 0.000 0.276 95 Q C -1.871 174.237 176.000 0.179 0.000 1.048 95 Q CA -1.044 54.856 55.803 0.162 0.000 0.832 95 Q CB 2.576 31.387 28.738 0.122 0.000 1.373 95 Q HN 0.787 nan 8.270 nan 0.000 0.409 96 Y N 1.806 122.145 120.300 0.065 0.000 2.304 96 Y HA 0.539 5.090 4.550 0.002 0.000 0.328 96 Y C -1.300 174.649 175.900 0.082 0.000 1.123 96 Y CA -0.475 57.649 58.100 0.040 0.000 1.218 96 Y CB 1.295 39.760 38.460 0.009 0.000 1.207 96 Y HN 0.491 nan 8.280 nan 0.000 0.495 97 V N 6.654 126.252 119.914 -0.526 0.000 2.407 97 V HA 0.521 4.643 4.120 0.005 0.000 0.291 97 V C 0.497 176.145 176.094 -0.743 0.000 1.018 97 V CA -0.575 61.444 62.300 -0.468 0.000 0.842 97 V CB 1.009 32.736 31.823 -0.159 0.000 0.996 97 V HN 1.072 nan 8.190 nan 0.000 0.426 98 G N 2.276 110.701 108.800 -0.626 0.000 2.476 98 G HA2 0.722 4.685 3.960 0.005 0.000 0.269 98 G HA3 0.722 4.685 3.960 0.005 0.000 0.269 98 G C 0.254 175.099 174.900 -0.092 0.000 1.195 98 G CA 0.409 45.342 45.100 -0.278 0.000 0.843 98 G HN 1.380 nan 8.290 nan 0.000 0.545 99 G N -0.689 108.101 108.800 -0.018 0.000 2.373 99 G HA2 0.528 4.491 3.960 0.005 0.000 0.250 99 G HA3 0.528 4.491 3.960 0.005 0.000 0.250 99 G C 0.920 175.831 174.900 0.020 0.000 1.304 99 G CA 0.552 45.654 45.100 0.004 0.000 0.948 99 G HN 1.463 nan 8.290 nan 0.000 0.474 100 A N 0.142 122.974 122.820 0.019 0.000 1.862 100 A HA 0.119 4.442 4.320 0.005 0.000 0.214 100 A C 1.309 178.913 177.584 0.033 0.000 1.228 100 A CA 2.539 54.591 52.037 0.024 0.000 0.665 100 A CB -0.896 18.118 19.000 0.023 0.000 0.845 100 A HN 1.264 nan 8.150 nan 0.000 0.459 101 E N 0.183 120.409 120.200 0.042 0.000 2.001 101 E HA 0.496 4.849 4.350 0.005 0.000 0.279 101 E C -0.240 176.411 176.600 0.086 0.000 1.045 101 E CA -0.169 56.270 56.400 0.065 0.000 0.833 101 E CB 0.407 30.153 29.700 0.077 0.000 1.077 101 E HN 0.595 nan 8.360 nan 0.000 0.397 102 A N 5.262 128.140 122.820 0.098 0.000 2.566 102 A HA 0.195 4.518 4.320 0.005 0.000 0.245 102 A C 0.004 177.787 177.584 0.332 0.000 1.056 102 A CA 0.041 52.165 52.037 0.145 0.000 0.757 102 A CB 0.067 19.210 19.000 0.239 0.000 0.979 102 A HN 0.686 nan 8.150 nan 0.000 0.508 103 R N 2.103 122.739 120.500 0.227 0.000 2.774 103 R HA 0.656 4.998 4.340 0.005 0.000 0.272 103 R C -1.928 174.461 176.300 0.148 0.000 1.000 103 R CA -1.032 55.277 56.100 0.348 0.000 0.906 103 R CB 0.312 30.763 30.300 0.252 0.000 1.227 103 R HN 0.434 nan 8.270 nan 0.000 0.468 104 I N 2.462 123.105 120.570 0.122 0.000 2.354 104 I HA 0.315 4.488 4.170 0.005 0.000 0.286 104 I C -0.389 175.890 176.117 0.269 0.000 1.007 104 I CA -0.739 60.617 61.300 0.094 0.000 1.167 104 I CB 1.530 39.450 38.000 -0.134 0.000 1.320 104 I HN 0.343 nan 8.210 nan 0.000 0.458 105 N N 5.476 124.304 118.700 0.213 0.000 2.422 105 N HA 0.410 5.152 4.740 0.005 0.000 0.266 105 N C -0.286 175.369 175.510 0.242 0.000 1.007 105 N CA -0.184 52.999 53.050 0.221 0.000 0.941 105 N CB 1.985 40.559 38.487 0.144 0.000 1.115 105 N HN 0.635 nan 8.380 nan 0.000 0.492 106 T N -0.960 113.780 114.554 0.310 0.000 2.901 106 T HA 0.497 4.850 4.350 0.005 0.000 0.293 106 T C -0.608 174.247 174.700 0.258 0.000 1.084 106 T CA -0.893 61.390 62.100 0.305 0.000 1.008 106 T CB 2.176 71.327 68.868 0.471 0.000 1.170 106 T HN 0.293 nan 8.240 nan 0.000 0.509 107 Q N 0.829 120.724 119.800 0.157 0.000 2.365 107 Q HA 0.523 4.866 4.340 0.005 0.000 0.269 107 Q C -1.172 174.819 176.000 -0.015 0.000 1.061 107 Q CA -0.952 54.863 55.803 0.021 0.000 0.816 107 Q CB 2.610 31.317 28.738 -0.053 0.000 1.325 107 Q HN 0.856 nan 8.270 nan 0.000 0.446 108 W N 2.172 123.361 121.300 -0.185 0.000 2.962 108 W HA 0.741 5.402 4.660 0.001 0.000 0.341 108 W C -2.045 174.282 176.519 -0.321 0.000 1.155 108 W CA -1.077 56.006 57.345 -0.437 0.000 1.165 108 W CB 0.820 29.753 29.460 -0.879 0.000 1.435 108 W HN 0.427 nan 8.180 nan 0.000 0.546 109 L N 3.802 125.047 121.223 0.038 0.000 2.381 109 L HA 0.421 4.763 4.340 0.005 0.000 0.274 109 L C -0.990 175.924 176.870 0.074 0.000 0.988 109 L CA -1.051 53.816 54.840 0.044 0.000 0.824 109 L CB 1.899 43.927 42.059 -0.051 0.000 1.263 109 L HN 0.252 nan 8.230 nan 0.000 0.410 110 L N 3.181 124.504 121.223 0.168 0.000 2.316 110 L HA 0.552 4.895 4.340 0.005 0.000 0.280 110 L C -0.354 176.539 176.870 0.038 0.000 1.006 110 L CA 0.172 55.047 54.840 0.057 0.000 0.836 110 L CB 1.531 43.599 42.059 0.015 0.000 1.221 110 L HN 0.467 nan 8.230 nan 0.000 0.418 111 T N 3.314 117.879 114.554 0.018 0.000 2.794 111 T HA 0.521 4.874 4.350 0.005 0.000 0.280 111 T C -0.045 174.669 174.700 0.024 0.000 0.987 111 T CA -0.299 61.806 62.100 0.009 0.000 0.993 111 T CB 1.039 69.906 68.868 -0.002 0.000 0.939 111 T HN 0.637 nan 8.240 nan 0.000 0.449 112 S N 1.638 117.342 115.700 0.007 0.000 2.525 112 S HA 0.601 5.074 4.470 0.005 0.000 0.290 112 S C 0.770 175.375 174.600 0.008 0.000 1.152 112 S CA -0.836 57.375 58.200 0.018 0.000 1.072 112 S CB 1.242 64.440 63.200 -0.004 0.000 1.027 112 S HN 0.901 nan 8.310 nan 0.000 0.500 113 G N 2.247 111.064 108.800 0.029 0.000 2.343 113 G HA2 0.433 4.396 3.960 0.005 0.000 0.254 113 G HA3 0.433 4.396 3.960 0.005 0.000 0.254 113 G C 0.092 174.978 174.900 -0.024 0.000 1.277 113 G CA -0.146 44.952 45.100 -0.003 0.000 0.909 113 G HN 0.697 nan 8.290 nan 0.000 0.502 114 T N -0.909 113.623 114.554 -0.036 0.000 2.883 114 T HA 0.715 5.068 4.350 0.005 0.000 0.296 114 T C 0.410 175.088 174.700 -0.037 0.000 1.117 114 T CA -0.219 61.853 62.100 -0.046 0.000 1.006 114 T CB 1.549 70.376 68.868 -0.069 0.000 1.191 114 T HN 0.799 nan 8.240 nan 0.000 0.508 115 T N -0.112 114.423 114.554 -0.031 0.000 2.813 115 T HA 0.342 4.694 4.350 0.005 0.000 0.297 115 T C 0.802 175.500 174.700 -0.004 0.000 1.036 115 T CA -0.428 61.662 62.100 -0.016 0.000 1.044 115 T CB 0.441 69.305 68.868 -0.007 0.000 0.993 115 T HN 0.578 nan 8.240 nan 0.000 0.535 116 E N 0.377 120.583 120.200 0.009 0.000 2.418 116 E HA 0.128 4.481 4.350 0.005 0.000 0.197 116 E C 2.173 178.806 176.600 0.056 0.000 1.026 116 E CA 0.851 57.266 56.400 0.025 0.000 0.862 116 E CB -0.867 28.846 29.700 0.022 0.000 0.799 116 E HN 0.788 nan 8.360 nan 0.000 0.518 117 A N 0.877 123.732 122.820 0.057 0.000 2.015 117 A HA -0.100 4.223 4.320 0.005 0.000 0.219 117 A C 1.574 179.261 177.584 0.171 0.000 1.163 117 A CA 1.040 53.140 52.037 0.106 0.000 0.646 117 A CB -0.066 18.982 19.000 0.079 0.000 0.806 117 A HN 0.070 nan 8.150 nan 0.000 0.448 118 N N -0.488 118.239 118.700 0.044 0.000 2.235 118 N HA 0.277 5.020 4.740 0.005 0.000 0.209 118 N C 1.308 176.670 175.510 -0.246 0.000 1.122 118 N CA 0.707 53.675 53.050 -0.137 0.000 0.845 118 N CB 0.261 38.658 38.487 -0.151 0.000 1.004 118 N HN 0.402 nan 8.380 nan 0.000 0.499 119 A N 0.699 123.494 122.820 -0.042 0.000 1.978 119 A HA -0.170 4.152 4.320 0.005 0.000 0.220 119 A C 1.770 179.319 177.584 -0.057 0.000 1.170 119 A CA 1.021 53.036 52.037 -0.036 0.000 0.636 119 A CB -0.953 18.067 19.000 0.033 0.000 0.810 119 A HN 0.431 nan 8.150 nan 0.000 0.448 120 F N 0.827 120.773 119.950 -0.007 0.000 2.333 120 F HA -0.024 4.505 4.527 0.004 0.000 0.300 120 F C 1.347 177.142 175.800 -0.008 0.000 1.083 120 F CA 1.277 59.272 58.000 -0.009 0.000 1.395 120 F CB -0.273 38.722 39.000 -0.009 0.000 1.056 120 F HN 0.245 nan 8.300 nan 0.000 0.529 121 K N 0.652 120.589 120.400 -0.772 0.000 2.576 121 K HA 0.302 4.624 4.320 0.005 0.000 0.209 121 K C 0.940 177.378 176.600 -0.270 0.000 1.049 121 K CA 0.577 56.558 56.287 -0.511 0.000 1.140 121 K CB 0.011 32.086 32.500 -0.709 0.000 0.871 121 K HN 0.301 nan 8.250 nan 0.000 0.479 122 S N -0.200 115.392 115.700 -0.182 0.000 2.501 122 S HA 0.012 4.485 4.470 0.005 0.000 0.220 122 S C 0.625 175.190 174.600 -0.059 0.000 0.997 122 S CA -0.066 58.069 58.200 -0.109 0.000 0.919 122 S CB 0.022 63.175 63.200 -0.078 0.000 0.778 122 S HN 0.135 nan 8.310 nan 0.000 0.523 123 T N 2.703 117.228 114.554 -0.048 0.000 2.815 123 T HA 0.594 4.947 4.350 0.005 0.000 0.289 123 T C -0.569 174.123 174.700 -0.014 0.000 1.000 123 T CA -0.554 61.534 62.100 -0.021 0.000 0.958 123 T CB 1.360 70.214 68.868 -0.023 0.000 0.944 123 T HN 0.161 nan 8.240 nan 0.000 0.442 124 L N 2.799 124.040 121.223 0.030 0.000 2.379 124 L HA 0.781 5.124 4.340 0.005 0.000 0.269 124 L C -0.047 176.788 176.870 -0.057 0.000 1.084 124 L CA -0.892 53.970 54.840 0.036 0.000 0.802 124 L CB 1.341 43.513 42.059 0.189 0.000 1.175 124 L HN 0.316 nan 8.230 nan 0.000 0.448 125 V N 1.020 120.762 119.914 -0.288 0.000 2.735 125 V HA 0.972 5.095 4.120 0.005 0.000 0.310 125 V C -0.176 175.295 176.094 -1.039 0.000 1.061 125 V CA 0.174 62.121 62.300 -0.588 0.000 0.913 125 V CB 1.720 33.340 31.823 -0.340 0.000 1.005 125 V HN 0.858 nan 8.190 nan 0.000 0.428 126 G N 4.007 111.780 108.800 -1.712 0.000 2.634 126 G HA2 0.712 4.675 3.960 0.005 0.000 0.309 126 G HA3 0.712 4.675 3.960 0.005 0.000 0.309 126 G C -1.517 172.714 174.900 -1.116 0.000 1.299 126 G CA -0.087 44.093 45.100 -1.533 0.000 0.798 126 G HN 1.563 nan 8.290 nan 0.000 0.490 127 H N -1.831 116.919 119.070 -0.533 0.000 3.012 127 H HA 0.821 5.379 4.556 0.004 0.000 0.367 127 H C -2.001 173.478 175.328 0.252 0.000 1.211 127 H CA -0.905 55.088 56.048 -0.092 0.000 1.139 127 H CB 2.792 32.505 29.762 -0.082 0.000 1.838 127 H HN 0.390 nan 8.280 nan 0.000 0.550 128 D N 0.821 121.419 120.400 0.331 0.000 2.756 128 D HA 0.390 5.033 4.640 0.005 0.000 0.226 128 D C -0.931 175.444 176.300 0.125 0.000 1.186 128 D CA -0.437 53.672 54.000 0.183 0.000 0.845 128 D CB 2.873 43.828 40.800 0.258 0.000 1.610 128 D HN 0.672 nan 8.370 nan 0.000 0.465 129 T N 1.536 116.064 114.554 -0.044 0.000 2.812 129 T HA 0.534 4.887 4.350 0.005 0.000 0.282 129 T C -0.540 174.121 174.700 -0.064 0.000 0.990 129 T CA -0.454 61.682 62.100 0.060 0.000 0.960 129 T CB 0.502 69.447 68.868 0.127 0.000 0.948 129 T HN 0.069 nan 8.240 nan 0.000 0.438 130 F N 2.151 122.256 119.950 0.259 0.000 2.450 130 F HA 0.683 5.213 4.527 0.004 0.000 0.332 130 F C 1.042 177.161 175.800 0.533 0.000 1.093 130 F CA -0.692 57.524 58.000 0.361 0.000 1.003 130 F CB 1.998 41.170 39.000 0.287 0.000 1.151 130 F HN 0.559 nan 8.300 nan 0.000 0.474 131 T N -1.728 113.296 114.554 0.783 0.000 2.896 131 T HA 0.381 4.733 4.350 0.005 0.000 0.297 131 T C 0.169 175.110 174.700 0.402 0.000 1.108 131 T CA -1.077 61.397 62.100 0.624 0.000 1.004 131 T CB 2.064 71.140 68.868 0.345 0.000 1.159 131 T HN 0.589 nan 8.240 nan 0.000 0.499 132 K N 0.508 120.889 120.400 -0.032 0.000 2.486 132 K HA 0.202 4.525 4.320 0.005 0.000 0.194 132 K C 0.646 177.323 176.600 0.128 0.000 1.033 132 K CA 0.232 56.364 56.287 -0.257 0.000 1.004 132 K CB -0.064 32.108 32.500 -0.546 0.000 0.798 132 K HN 0.422 nan 8.250 nan 0.000 0.495 133 V N 0.000 120.016 119.914 0.170 0.000 2.409 133 V HA 0.000 4.123 4.120 0.005 0.000 0.244 133 V CA 0.000 62.366 62.300 0.110 0.000 1.235 133 V CB 0.000 31.853 31.823 0.049 0.000 1.184 133 V HN 0.000 nan 8.190 nan 0.000 0.556