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 1twc_1_K DATA FIRST_RESID 1 DATA SEQUENCE MNAPDRFELF LLGEGESKLK IDPDTKAPNA VVITFEKEDH TLGNLIRAEL DATA SEQUENCE LNDRKVLFAA YKVEHPFFAR FKLRIQTTEG YDPKDALKNA CNSIINKLGA DATA SEQUENCE LKTNFETEWN LQTL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.271 176.300 -0.048 0.000 1.140 1 M CA 0.000 55.276 55.300 -0.039 0.000 0.988 1 M CB 0.000 32.571 32.600 -0.049 0.000 1.302 2 N N 0.123 118.788 118.700 -0.058 0.000 2.398 2 N HA 0.274 5.014 4.740 0.000 0.000 0.188 2 N C -0.609 174.833 175.510 -0.112 0.000 1.122 2 N CA 0.324 53.330 53.050 -0.074 0.000 0.866 2 N CB 0.247 38.693 38.487 -0.068 0.000 0.970 2 N HN 0.610 nan 8.380 nan 0.000 0.462 3 A N 2.545 125.294 122.820 -0.117 0.000 2.491 3 A HA 0.257 4.577 4.320 0.000 0.000 0.261 3 A C -1.864 175.624 177.584 -0.159 0.000 1.101 3 A CA -0.820 51.127 52.037 -0.149 0.000 0.772 3 A CB -0.120 18.803 19.000 -0.128 0.000 1.043 3 A HN 0.111 nan 8.150 nan 0.000 0.501 4 P HA 0.317 nan 4.420 nan 0.000 0.280 4 P C -0.836 176.307 177.300 -0.262 0.000 1.244 4 P CA -0.448 62.538 63.100 -0.190 0.000 0.784 4 P CB 0.622 32.229 31.700 -0.155 0.000 0.913 5 D N 1.827 122.006 120.400 -0.368 0.000 2.515 5 D HA -0.046 4.594 4.640 0.000 0.000 0.232 5 D C 1.535 177.465 176.300 -0.617 0.000 1.157 5 D CA 0.092 53.756 54.000 -0.559 0.000 0.871 5 D CB 0.624 40.801 40.800 -1.037 0.000 1.200 5 D HN 0.173 nan 8.370 nan 0.000 0.466 6 R N 1.521 121.771 120.500 -0.417 0.000 2.148 6 R HA -0.074 4.266 4.340 0.000 0.000 0.223 6 R C 1.995 178.110 176.300 -0.309 0.000 1.088 6 R CA 0.542 56.501 56.100 -0.234 0.000 0.985 6 R CB -0.499 29.764 30.300 -0.060 0.000 0.880 6 R HN 0.677 nan 8.270 nan 0.000 0.451 7 F N 1.155 120.950 119.950 -0.257 0.000 2.154 7 F HA -0.126 4.401 4.527 -0.000 0.000 0.301 7 F C 1.356 176.739 175.800 -0.694 0.000 1.087 7 F CA 0.898 58.522 58.000 -0.626 0.000 1.274 7 F CB -1.064 37.768 39.000 -0.280 0.000 1.009 7 F HN -0.052 nan 8.300 nan 0.000 0.485 8 E N 0.682 120.574 120.200 -0.512 0.000 2.448 8 E HA -0.151 4.199 4.350 0.000 0.000 0.203 8 E C 1.845 178.333 176.600 -0.187 0.000 1.046 8 E CA 0.936 57.190 56.400 -0.243 0.000 0.871 8 E CB -0.429 29.138 29.700 -0.223 0.000 0.790 8 E HN 0.558 nan 8.360 nan 0.000 0.545 9 L N -0.563 120.492 121.223 -0.279 0.000 2.509 9 L HA -0.001 4.339 4.340 0.000 0.000 0.222 9 L C 1.332 178.213 176.870 0.018 0.000 1.123 9 L CA 0.313 55.110 54.840 -0.072 0.000 0.856 9 L CB 0.139 42.219 42.059 0.034 0.000 0.985 9 L HN 0.238 nan 8.230 nan 0.000 0.456 10 F N -3.570 116.455 119.950 0.125 0.000 2.856 10 F HA 0.512 5.039 4.527 0.000 0.000 0.338 10 F C -0.288 175.576 175.800 0.106 0.000 1.100 10 F CA -0.860 57.205 58.000 0.108 0.000 1.150 10 F CB 0.207 39.262 39.000 0.090 0.000 1.101 10 F HN -0.275 nan 8.300 nan 0.000 0.548 11 L N 2.363 123.621 121.223 0.059 0.000 2.409 11 L HA 0.559 4.899 4.340 0.000 0.000 0.272 11 L C -0.809 176.104 176.870 0.070 0.000 0.980 11 L CA -1.206 53.695 54.840 0.102 0.000 0.826 11 L CB 1.855 43.950 42.059 0.060 0.000 1.268 11 L HN 0.019 nan 8.230 nan 0.000 0.407 12 L N 2.711 123.971 121.223 0.062 0.000 2.397 12 L HA 0.573 4.913 4.340 0.000 0.000 0.271 12 L C 1.223 178.117 176.870 0.040 0.000 1.148 12 L CA 0.404 55.270 54.840 0.044 0.000 0.825 12 L CB 0.876 42.953 42.059 0.030 0.000 1.117 12 L HN 0.733 nan 8.230 nan 0.000 0.456 13 G N 1.212 110.033 108.800 0.036 0.000 2.683 13 G HA2 0.122 4.082 3.960 0.000 0.000 0.260 13 G HA3 0.122 4.082 3.960 0.000 0.000 0.260 13 G C -0.218 174.692 174.900 0.016 0.000 1.238 13 G CA -0.524 44.596 45.100 0.034 0.000 0.934 13 G HN 0.728 nan 8.290 nan 0.000 0.534 14 E N -0.721 119.486 120.200 0.013 0.000 2.414 14 E HA 0.331 4.681 4.350 0.000 0.000 0.263 14 E C 1.396 177.993 176.600 -0.004 0.000 1.000 14 E CA 0.466 56.868 56.400 0.003 0.000 0.914 14 E CB -0.048 29.654 29.700 0.003 0.000 0.948 14 E HN 1.154 nan 8.360 nan 0.000 0.444 15 G N 3.405 112.200 108.800 -0.008 0.000 2.200 15 G HA2 -0.338 3.622 3.960 0.000 0.000 0.268 15 G HA3 -0.338 3.622 3.960 0.000 0.000 0.268 15 G C -0.098 174.791 174.900 -0.018 0.000 0.986 15 G CA 0.773 45.865 45.100 -0.013 0.000 0.677 15 G HN 0.635 nan 8.290 nan 0.000 0.532 16 E N 0.386 120.577 120.200 -0.015 0.000 2.277 16 E HA 0.522 4.872 4.350 0.000 0.000 0.274 16 E C -0.067 176.520 176.600 -0.022 0.000 1.022 16 E CA -0.272 56.116 56.400 -0.021 0.000 0.853 16 E CB 1.223 30.915 29.700 -0.013 0.000 1.086 16 E HN 0.217 nan 8.360 nan 0.000 0.397 17 S N 1.931 117.609 115.700 -0.035 0.000 2.654 17 S HA 0.148 4.618 4.470 0.000 0.000 0.283 17 S C 0.999 175.571 174.600 -0.047 0.000 1.180 17 S CA -0.869 57.307 58.200 -0.041 0.000 1.021 17 S CB 1.566 64.731 63.200 -0.059 0.000 1.018 17 S HN 0.397 nan 8.310 nan 0.000 0.532 18 K N 0.472 120.847 120.400 -0.041 0.000 2.032 18 K HA 0.050 4.370 4.320 0.000 0.000 0.209 18 K C 0.353 176.868 176.600 -0.141 0.000 1.048 18 K CA 1.385 57.643 56.287 -0.047 0.000 0.927 18 K CB -0.356 32.135 32.500 -0.016 0.000 0.712 18 K HN 0.526 nan 8.250 nan 0.000 0.441 19 L N 0.684 121.792 121.223 -0.192 0.000 2.342 19 L HA 0.373 4.713 4.340 0.000 0.000 0.271 19 L C -0.584 176.166 176.870 -0.199 0.000 1.008 19 L CA -0.851 53.809 54.840 -0.299 0.000 0.818 19 L CB 1.969 43.823 42.059 -0.343 0.000 1.296 19 L HN -0.197 nan 8.230 nan 0.000 0.427 20 K N 2.620 122.900 120.400 -0.201 0.000 2.397 20 K HA 0.694 5.014 4.320 0.000 0.000 0.253 20 K C -1.363 175.154 176.600 -0.138 0.000 0.932 20 K CA -0.202 56.005 56.287 -0.133 0.000 0.795 20 K CB 2.531 34.969 32.500 -0.103 0.000 1.159 20 K HN 0.385 nan 8.250 nan 0.000 0.424 21 I N 2.240 122.748 120.570 -0.103 0.000 2.436 21 I HA 0.397 4.567 4.170 0.000 0.000 0.289 21 I C -0.970 175.113 176.117 -0.056 0.000 1.010 21 I CA -0.688 60.561 61.300 -0.086 0.000 1.098 21 I CB 1.885 39.836 38.000 -0.081 0.000 1.266 21 I HN 0.459 nan 8.210 nan 0.000 0.434 22 D N 6.627 127.003 120.400 -0.041 0.000 2.756 22 D HA 0.420 5.060 4.640 0.000 0.000 0.226 22 D C -2.753 173.536 176.300 -0.018 0.000 1.186 22 D CA -1.377 52.606 54.000 -0.029 0.000 0.845 22 D CB 2.879 43.663 40.800 -0.027 0.000 1.610 22 D HN 0.103 nan 8.370 nan 0.000 0.465 23 P HA 0.271 nan 4.420 nan 0.000 0.292 23 P C -0.841 176.452 177.300 -0.011 0.000 1.287 23 P CA -0.457 62.636 63.100 -0.013 0.000 0.800 23 P CB 0.878 32.570 31.700 -0.014 0.000 0.945 24 D N 1.027 121.421 120.400 -0.010 0.000 2.256 24 D HA 0.181 4.821 4.640 0.000 0.000 0.250 24 D C 0.725 177.013 176.300 -0.020 0.000 1.093 24 D CA -0.008 53.983 54.000 -0.014 0.000 0.882 24 D CB 0.779 41.570 40.800 -0.016 0.000 1.185 24 D HN 0.181 nan 8.370 nan 0.000 0.437 25 T N 2.545 117.086 114.554 -0.021 0.000 2.978 25 T HA -0.057 4.293 4.350 0.000 0.000 0.262 25 T C 1.659 176.342 174.700 -0.027 0.000 1.063 25 T CA 0.293 62.380 62.100 -0.021 0.000 1.140 25 T CB 0.066 68.923 68.868 -0.018 0.000 0.886 25 T HN 0.303 nan 8.240 nan 0.000 0.470 26 K N 1.660 122.038 120.400 -0.037 0.000 2.113 26 K HA 0.093 4.413 4.320 0.000 0.000 0.208 26 K C 0.955 177.525 176.600 -0.051 0.000 1.047 26 K CA 0.752 57.010 56.287 -0.048 0.000 0.928 26 K CB -0.323 32.139 32.500 -0.065 0.000 0.716 26 K HN 0.475 nan 8.250 nan 0.000 0.446 27 A N 0.582 123.372 122.820 -0.050 0.000 2.602 27 A HA 0.566 4.886 4.320 0.000 0.000 0.290 27 A C -2.800 174.767 177.584 -0.028 0.000 1.114 27 A CA -1.227 50.783 52.037 -0.045 0.000 0.683 27 A CB 1.633 20.591 19.000 -0.069 0.000 1.281 27 A HN -0.122 nan 8.150 nan 0.000 0.416 28 P HA 0.352 nan 4.420 nan 0.000 0.286 28 P C -0.458 176.843 177.300 0.001 0.000 1.261 28 P CA -0.203 62.893 63.100 -0.006 0.000 0.821 28 P CB 0.746 32.446 31.700 -0.001 0.000 1.013 29 N N -0.810 117.891 118.700 0.002 0.000 2.780 29 N HA -0.134 4.606 4.740 0.000 0.000 0.247 29 N C -0.923 174.589 175.510 0.002 0.000 1.076 29 N CA 1.009 54.062 53.050 0.004 0.000 0.688 29 N CB -1.244 37.252 38.487 0.014 0.000 0.957 29 N HN 0.714 nan 8.380 nan 0.000 0.551 30 A N -0.343 122.477 122.820 0.001 0.000 2.414 30 A HA 0.823 5.143 4.320 0.000 0.000 0.306 30 A C -0.456 177.133 177.584 0.009 0.000 1.054 30 A CA -0.420 51.623 52.037 0.010 0.000 0.724 30 A CB 2.692 21.689 19.000 -0.004 0.000 1.267 30 A HN 0.089 nan 8.150 nan 0.000 0.418 31 V N 1.497 121.426 119.914 0.025 0.000 3.130 31 V HA 0.681 4.801 4.120 0.000 0.000 0.310 31 V C -1.171 174.949 176.094 0.044 0.000 1.158 31 V CA -0.431 61.880 62.300 0.019 0.000 1.029 31 V CB 2.532 34.356 31.823 0.002 0.000 1.057 31 V HN 0.832 nan 8.190 nan 0.000 0.436 32 V N 5.027 124.958 119.914 0.029 0.000 2.407 32 V HA 0.554 4.674 4.120 0.000 0.000 0.291 32 V C -0.692 175.409 176.094 0.011 0.000 1.018 32 V CA -0.405 61.923 62.300 0.047 0.000 0.842 32 V CB 1.463 33.309 31.823 0.038 0.000 0.996 32 V HN 0.629 nan 8.190 nan 0.000 0.426 33 I N 3.456 124.038 120.570 0.021 0.000 2.377 33 I HA 0.468 4.638 4.170 0.000 0.000 0.293 33 I C 0.433 176.490 176.117 -0.100 0.000 0.987 33 I CA 0.068 61.316 61.300 -0.087 0.000 1.185 33 I CB 2.008 39.927 38.000 -0.134 0.000 1.341 33 I HN 0.472 nan 8.210 nan 0.000 0.455 34 T N 6.322 120.770 114.554 -0.177 0.000 2.770 34 T HA 0.456 4.806 4.350 0.000 0.000 0.297 34 T C -0.450 174.081 174.700 -0.282 0.000 0.997 34 T CA -0.226 61.779 62.100 -0.158 0.000 0.949 34 T CB -0.028 68.781 68.868 -0.098 0.000 0.941 34 T HN 0.085 nan 8.240 nan 0.000 0.457 35 F N 3.407 123.062 119.950 -0.491 0.000 2.421 35 F HA 0.261 4.788 4.527 0.000 0.000 0.358 35 F C 1.261 176.887 175.800 -0.291 0.000 1.115 35 F CA -0.704 57.006 58.000 -0.483 0.000 1.160 35 F CB 0.682 39.087 39.000 -0.992 0.000 1.123 35 F HN 0.431 nan 8.300 nan 0.000 0.508 36 E N 3.694 123.884 120.200 -0.017 0.000 2.318 36 E HA 0.147 4.497 4.350 0.000 0.000 0.265 36 E C 0.017 176.669 176.600 0.087 0.000 1.069 36 E CA -0.758 55.661 56.400 0.032 0.000 0.893 36 E CB 0.667 30.370 29.700 0.004 0.000 1.076 36 E HN 0.358 nan 8.360 nan 0.000 0.414 37 K N 1.404 121.866 120.400 0.102 0.000 3.356 37 K HA -0.197 4.123 4.320 0.000 0.000 0.270 37 K C -0.283 176.421 176.600 0.174 0.000 0.901 37 K CA 1.089 57.456 56.287 0.135 0.000 0.688 37 K CB -1.263 31.311 32.500 0.124 0.000 1.460 37 K HN 0.494 nan 8.250 nan 0.000 0.458 38 E N 0.316 120.634 120.200 0.197 0.000 2.445 38 E HA 0.537 4.887 4.350 0.000 0.000 0.273 38 E C 0.106 176.868 176.600 0.270 0.000 0.961 38 E CA -0.542 56.004 56.400 0.244 0.000 0.807 38 E CB 1.841 31.735 29.700 0.324 0.000 1.362 38 E HN 0.270 nan 8.360 nan 0.000 0.453 39 D N -2.195 118.307 120.400 0.170 0.000 3.557 39 D HA 0.148 4.788 4.640 0.000 0.000 0.331 39 D C 0.851 176.992 176.300 -0.265 0.000 1.442 39 D CA -0.381 53.616 54.000 -0.005 0.000 0.971 39 D CB 0.021 40.845 40.800 0.040 0.000 1.423 39 D HN 0.304 nan 8.370 nan 0.000 0.604 40 H N -0.383 118.639 119.070 -0.079 0.000 2.387 40 H HA -0.069 4.487 4.556 0.000 0.000 0.299 40 H C 1.376 176.520 175.328 -0.307 0.000 1.099 40 H CA 2.106 58.039 56.048 -0.193 0.000 1.315 40 H CB -0.431 29.323 29.762 -0.012 0.000 1.380 40 H HN 0.431 nan 8.280 nan 0.000 0.513 41 T N 1.841 116.349 114.554 -0.077 0.000 2.531 41 T HA -0.198 4.152 4.350 0.000 0.000 0.261 41 T C 2.159 176.741 174.700 -0.198 0.000 1.141 41 T CA 1.636 63.677 62.100 -0.099 0.000 1.176 41 T CB -0.478 68.365 68.868 -0.043 0.000 0.863 41 T HN 0.066 nan 8.240 nan 0.000 0.424 42 L N 0.802 121.887 121.223 -0.231 0.000 2.109 42 L HA 0.191 4.531 4.340 0.000 0.000 0.207 42 L C 2.676 179.193 176.870 -0.589 0.000 1.086 42 L CA 1.791 56.457 54.840 -0.289 0.000 0.760 42 L CB -1.472 40.480 42.059 -0.178 0.000 0.910 42 L HN 0.403 nan 8.230 nan 0.000 0.437 43 G N -1.050 107.106 108.800 -1.074 0.000 2.394 43 G HA2 -0.319 3.641 3.960 0.000 0.000 0.214 43 G HA3 -0.319 3.641 3.960 0.000 0.000 0.214 43 G C 1.501 175.510 174.900 -1.486 0.000 1.176 43 G CA 0.716 44.671 45.100 -1.908 0.000 0.786 43 G HN 0.421 nan 8.290 nan 0.000 0.533 44 N N -0.139 117.850 118.700 -1.185 0.000 2.364 44 N HA -0.057 4.683 4.740 0.000 0.000 0.183 44 N C 1.935 177.232 175.510 -0.355 0.000 1.022 44 N CA 0.719 53.398 53.050 -0.619 0.000 0.883 44 N CB -0.130 38.232 38.487 -0.207 0.000 0.965 44 N HN 0.286 nan 8.380 nan 0.000 0.438 45 L N -0.014 121.005 121.223 -0.340 0.000 2.071 45 L HA 0.106 4.446 4.340 0.000 0.000 0.201 45 L C 1.846 178.616 176.870 -0.166 0.000 1.076 45 L CA 1.096 55.821 54.840 -0.192 0.000 0.755 45 L CB -0.702 41.263 42.059 -0.157 0.000 0.915 45 L HN 0.022 nan 8.230 nan 0.000 0.445 46 I N 0.010 120.464 120.570 -0.192 0.000 2.091 46 I HA -0.290 3.880 4.170 0.000 0.000 0.239 46 I C 2.686 178.748 176.117 -0.092 0.000 1.061 46 I CA 1.292 62.528 61.300 -0.106 0.000 1.317 46 I CB -1.568 36.388 38.000 -0.075 0.000 1.031 46 I HN 0.406 nan 8.210 nan 0.000 0.401 47 R N 1.153 121.565 120.500 -0.147 0.000 2.134 47 R HA -0.212 4.128 4.340 0.000 0.000 0.248 47 R C 2.158 178.417 176.300 -0.068 0.000 1.143 47 R CA 2.207 58.254 56.100 -0.089 0.000 0.957 47 R CB -0.639 29.601 30.300 -0.099 0.000 0.867 47 R HN 0.449 nan 8.270 nan 0.000 0.441 48 A N 0.630 123.401 122.820 -0.082 0.000 1.968 48 A HA -0.078 4.242 4.320 0.000 0.000 0.217 48 A C 2.026 179.590 177.584 -0.035 0.000 1.169 48 A CA 0.991 52.997 52.037 -0.052 0.000 0.638 48 A CB -0.246 18.721 19.000 -0.054 0.000 0.812 48 A HN 0.263 nan 8.150 nan 0.000 0.446 49 E N 0.350 120.530 120.200 -0.033 0.000 2.038 49 E HA -0.184 4.166 4.350 0.000 0.000 0.195 49 E C 1.926 178.525 176.600 -0.001 0.000 1.000 49 E CA 1.134 57.526 56.400 -0.013 0.000 0.803 49 E CB -0.604 29.091 29.700 -0.008 0.000 0.750 49 E HN 0.632 nan 8.360 nan 0.000 0.448 50 L N 0.334 121.557 121.223 -0.001 0.000 2.283 50 L HA -0.226 4.114 4.340 0.000 0.000 0.217 50 L C 2.150 179.023 176.870 0.004 0.000 1.104 50 L CA 0.539 55.384 54.840 0.009 0.000 0.772 50 L CB -0.296 41.764 42.059 0.001 0.000 0.899 50 L HN 0.084 nan 8.230 nan 0.000 0.439 51 L N -0.930 120.287 121.223 -0.010 0.000 2.592 51 L HA 0.059 4.399 4.340 0.000 0.000 0.227 51 L C 1.773 178.646 176.870 0.006 0.000 1.127 51 L CA 0.926 55.761 54.840 -0.009 0.000 0.884 51 L CB -0.540 41.503 42.059 -0.026 0.000 1.065 51 L HN 0.197 nan 8.230 nan 0.000 0.457 52 N N -0.893 117.814 118.700 0.012 0.000 2.405 52 N HA -0.057 4.683 4.740 0.000 0.000 0.175 52 N C 0.230 175.758 175.510 0.030 0.000 1.051 52 N CA 0.220 53.279 53.050 0.015 0.000 0.899 52 N CB 0.156 38.650 38.487 0.011 0.000 1.000 52 N HN 0.235 nan 8.380 nan 0.000 0.451 53 D N 1.126 121.554 120.400 0.046 0.000 2.346 53 D HA 0.043 4.683 4.640 0.000 0.000 0.260 53 D C 0.935 177.284 176.300 0.082 0.000 1.252 53 D CA 0.101 54.148 54.000 0.078 0.000 0.895 53 D CB 0.555 41.429 40.800 0.124 0.000 1.097 53 D HN 0.011 nan 8.370 nan 0.000 0.489 54 R N 2.598 123.138 120.500 0.067 0.000 2.235 54 R HA -0.034 4.306 4.340 0.000 0.000 0.213 54 R C 1.396 177.749 176.300 0.087 0.000 1.059 54 R CA 0.765 56.900 56.100 0.059 0.000 0.997 54 R CB 0.333 30.655 30.300 0.036 0.000 0.884 54 R HN 0.348 nan 8.270 nan 0.000 0.462 55 K N -0.038 120.445 120.400 0.138 0.000 2.486 55 K HA 0.041 4.361 4.320 0.000 0.000 0.194 55 K C 0.044 176.786 176.600 0.237 0.000 1.033 55 K CA 0.265 56.693 56.287 0.236 0.000 1.004 55 K CB 0.510 33.236 32.500 0.376 0.000 0.798 55 K HN -0.089 nan 8.250 nan 0.000 0.495 56 V N 2.616 122.627 119.914 0.161 0.000 2.397 56 V HA 0.011 4.131 4.120 0.000 0.000 0.262 56 V C 1.233 177.376 176.094 0.082 0.000 1.047 56 V CA 0.209 62.562 62.300 0.088 0.000 1.003 56 V CB 0.533 32.389 31.823 0.055 0.000 1.037 56 V HN 0.284 nan 8.190 nan 0.000 0.480 57 L N 4.437 125.717 121.223 0.097 0.000 2.127 57 L HA 0.255 4.595 4.340 0.000 0.000 0.203 57 L C 0.430 177.402 176.870 0.171 0.000 1.080 57 L CA 1.268 56.179 54.840 0.117 0.000 0.768 57 L CB 0.131 42.260 42.059 0.118 0.000 0.924 57 L HN 0.544 nan 8.230 nan 0.000 0.444 58 F N -0.171 119.794 119.950 0.025 0.000 2.596 58 F HA 0.659 5.186 4.527 0.000 0.000 0.311 58 F C -0.940 174.881 175.800 0.034 0.000 1.116 58 F CA -0.807 57.211 58.000 0.028 0.000 0.957 58 F CB 1.504 40.519 39.000 0.025 0.000 1.250 58 F HN -0.227 nan 8.300 nan 0.000 0.444 59 A N 3.817 126.265 122.820 -0.620 0.000 2.547 59 A HA 0.995 5.315 4.320 0.000 0.000 0.297 59 A C -1.813 175.428 177.584 -0.571 0.000 1.056 59 A CA -0.062 51.703 52.037 -0.453 0.000 0.688 59 A CB 1.419 20.334 19.000 -0.141 0.000 1.282 59 A HN 1.920 nan 8.150 nan 0.000 0.400 60 A N 0.576 123.257 122.820 -0.232 0.000 2.594 60 A HA 0.745 5.065 4.320 0.000 0.000 0.296 60 A C -1.341 176.360 177.584 0.195 0.000 1.056 60 A CA -0.141 51.869 52.037 -0.044 0.000 0.693 60 A CB 0.550 19.487 19.000 -0.105 0.000 1.278 60 A HN 2.297 nan 8.150 nan 0.000 0.408 61 Y N 0.648 120.967 120.300 0.032 0.000 2.576 61 Y HA 0.873 5.423 4.550 0.000 0.000 0.346 61 Y C -0.717 175.234 175.900 0.085 0.000 1.018 61 Y CA -0.793 57.364 58.100 0.094 0.000 1.050 61 Y CB 1.892 40.355 38.460 0.005 0.000 1.280 61 Y HN 0.891 nan 8.280 nan 0.000 0.474 62 K N 2.435 122.802 120.400 -0.055 0.000 2.557 62 K HA 0.564 4.884 4.320 0.000 0.000 0.261 62 K C -2.324 174.315 176.600 0.065 0.000 0.932 62 K CA -0.994 55.191 56.287 -0.170 0.000 0.829 62 K CB 2.331 34.786 32.500 -0.075 0.000 1.358 62 K HN 0.843 nan 8.250 nan 0.000 0.430 63 V N 3.042 122.960 119.914 0.006 0.000 2.318 63 V HA 0.162 4.282 4.120 0.000 0.000 0.271 63 V C 0.840 176.982 176.094 0.080 0.000 1.030 63 V CA 0.029 62.383 62.300 0.090 0.000 0.844 63 V CB 0.734 32.565 31.823 0.013 0.000 1.015 63 V HN 0.952 nan 8.190 nan 0.000 0.460 64 E N 3.962 124.233 120.200 0.118 0.000 2.153 64 E HA -0.087 4.263 4.350 0.000 0.000 0.194 64 E C 0.121 176.801 176.600 0.134 0.000 0.988 64 E CA 1.187 57.653 56.400 0.109 0.000 0.811 64 E CB 0.159 29.941 29.700 0.137 0.000 0.746 64 E HN 0.893 nan 8.360 nan 0.000 0.466 65 H N -1.569 117.567 119.070 0.111 0.000 2.954 65 H HA 0.108 4.664 4.556 0.000 0.000 0.361 65 H C -2.164 173.139 175.328 -0.042 0.000 1.122 65 H CA -1.860 54.184 56.048 -0.006 0.000 1.217 65 H CB 2.116 31.901 29.762 0.038 0.000 1.776 65 H HN -0.234 nan 8.280 nan 0.000 0.533 66 P HA -0.078 nan 4.420 nan 0.000 0.234 66 P C 0.724 178.145 177.300 0.201 0.000 1.167 66 P CA 1.043 64.200 63.100 0.095 0.000 0.763 66 P CB 0.066 31.752 31.700 -0.023 0.000 0.835 67 F N -1.497 118.457 119.950 0.006 0.000 2.710 67 F HA 0.126 4.653 4.527 0.000 0.000 0.298 67 F C 0.811 176.273 175.800 -0.564 0.000 1.137 67 F CA -0.198 57.547 58.000 -0.425 0.000 1.444 67 F CB 0.088 38.474 39.000 -1.024 0.000 1.111 67 F HN -0.219 nan 8.300 nan 0.000 0.580 68 F N -0.239 119.853 119.950 0.237 0.000 2.508 68 F HA 0.554 5.081 4.527 -0.000 0.000 0.325 68 F C 0.175 176.048 175.800 0.121 0.000 1.090 68 F CA -1.346 56.733 58.000 0.132 0.000 0.945 68 F CB 1.184 40.241 39.000 0.095 0.000 1.156 68 F HN -0.355 nan 8.300 nan 0.000 0.463 69 A N 4.110 127.097 122.820 0.279 0.000 2.798 69 A HA 0.650 4.970 4.320 0.000 0.000 0.316 69 A C -0.141 177.562 177.584 0.198 0.000 1.506 69 A CA -0.411 51.748 52.037 0.203 0.000 1.162 69 A CB -0.383 18.715 19.000 0.163 0.000 1.138 69 A HN 0.878 nan 8.150 nan 0.000 0.532 70 R N 0.994 121.624 120.500 0.217 0.000 2.594 70 R HA 0.726 5.066 4.340 0.000 0.000 0.265 70 R C -1.242 175.192 176.300 0.225 0.000 1.070 70 R CA -0.668 55.531 56.100 0.165 0.000 0.909 70 R CB 0.951 31.316 30.300 0.108 0.000 1.243 70 R HN 0.715 nan 8.270 nan 0.000 0.455 71 F N -0.337 119.697 119.950 0.141 0.000 2.664 71 F HA 0.730 5.257 4.527 0.000 0.000 0.329 71 F C -1.387 174.536 175.800 0.205 0.000 1.090 71 F CA -1.204 56.882 58.000 0.142 0.000 0.978 71 F CB 2.081 41.150 39.000 0.115 0.000 1.378 71 F HN 0.419 nan 8.300 nan 0.000 0.495 72 K N 2.139 122.770 120.400 0.384 0.000 2.507 72 K HA 0.565 4.885 4.320 0.000 0.000 0.251 72 K C -1.974 174.875 176.600 0.414 0.000 0.943 72 K CA -0.672 55.763 56.287 0.246 0.000 0.794 72 K CB 2.599 35.201 32.500 0.170 0.000 1.188 72 K HN 0.767 nan 8.250 nan 0.000 0.428 73 L N 3.049 124.501 121.223 0.381 0.000 2.362 73 L HA 0.534 4.874 4.340 0.000 0.000 0.275 73 L C -0.984 176.044 176.870 0.263 0.000 0.998 73 L CA -0.840 54.236 54.840 0.394 0.000 0.820 73 L CB 1.789 44.136 42.059 0.480 0.000 1.270 73 L HN 0.580 nan 8.230 nan 0.000 0.415 74 R N 5.366 126.022 120.500 0.261 0.000 2.393 74 R HA 0.653 4.993 4.340 0.000 0.000 0.315 74 R C -1.466 175.001 176.300 0.279 0.000 0.952 74 R CA -0.450 55.808 56.100 0.264 0.000 0.842 74 R CB 1.086 31.596 30.300 0.351 0.000 1.163 74 R HN 0.573 nan 8.270 nan 0.000 0.450 75 I N 2.868 123.556 120.570 0.197 0.000 2.433 75 I HA 0.369 4.539 4.170 0.000 0.000 0.292 75 I C -0.411 175.796 176.117 0.150 0.000 1.001 75 I CA -0.904 60.486 61.300 0.151 0.000 1.119 75 I CB 2.022 40.058 38.000 0.060 0.000 1.289 75 I HN 0.517 nan 8.210 nan 0.000 0.438 76 Q N 4.125 124.041 119.800 0.194 0.000 2.342 76 Q HA 0.698 5.038 4.340 0.000 0.000 0.267 76 Q C -1.058 174.983 176.000 0.069 0.000 1.038 76 Q CA -0.572 55.301 55.803 0.117 0.000 0.832 76 Q CB 2.477 31.301 28.738 0.144 0.000 1.323 76 Q HN 0.851 nan 8.270 nan 0.000 0.448 77 T N -1.285 113.284 114.554 0.025 0.000 2.896 77 T HA 0.454 4.804 4.350 0.000 0.000 0.297 77 T C -0.274 174.464 174.700 0.064 0.000 1.108 77 T CA -0.872 61.239 62.100 0.019 0.000 1.004 77 T CB 1.250 70.032 68.868 -0.143 0.000 1.159 77 T HN 0.600 nan 8.240 nan 0.000 0.499 78 T N 0.945 115.571 114.554 0.119 0.000 2.908 78 T HA 0.105 4.455 4.350 0.000 0.000 0.325 78 T C 0.292 175.066 174.700 0.123 0.000 1.092 78 T CA -0.519 61.653 62.100 0.120 0.000 1.125 78 T CB 0.196 69.141 68.868 0.128 0.000 1.016 78 T HN 0.776 nan 8.240 nan 0.000 0.550 79 E N 0.816 121.065 120.200 0.083 0.000 2.351 79 E HA 0.283 4.633 4.350 0.000 0.000 0.266 79 E C 1.242 177.890 176.600 0.079 0.000 1.031 79 E CA 0.828 57.267 56.400 0.065 0.000 0.911 79 E CB -0.128 29.598 29.700 0.044 0.000 0.986 79 E HN 1.038 nan 8.360 nan 0.000 0.446 80 G N 4.272 113.124 108.800 0.085 0.000 2.179 80 G HA2 -0.298 3.663 3.960 0.000 0.000 0.220 80 G HA3 -0.298 3.663 3.960 0.000 0.000 0.220 80 G C -0.308 174.686 174.900 0.157 0.000 0.990 80 G CA 0.185 45.340 45.100 0.091 0.000 0.646 80 G HN 0.629 nan 8.290 nan 0.000 0.517 81 Y N 1.747 122.057 120.300 0.018 0.000 2.345 81 Y HA 0.517 5.067 4.550 0.000 0.000 0.331 81 Y C -0.451 175.462 175.900 0.022 0.000 0.959 81 Y CA -1.234 56.878 58.100 0.020 0.000 1.204 81 Y CB 1.222 39.696 38.460 0.022 0.000 1.135 81 Y HN 0.109 nan 8.280 nan 0.000 0.477 82 D N 8.969 129.409 120.400 0.068 0.000 2.390 82 D HA 0.050 4.690 4.640 0.000 0.000 0.249 82 D C -1.554 174.606 176.300 -0.233 0.000 1.144 82 D CA -2.093 51.877 54.000 -0.049 0.000 0.880 82 D CB 1.761 42.565 40.800 0.007 0.000 1.182 82 D HN 0.354 nan 8.370 nan 0.000 0.451 83 P HA -0.219 nan 4.420 nan 0.000 0.215 83 P C 0.888 178.115 177.300 -0.123 0.000 1.157 83 P CA 1.512 64.499 63.100 -0.189 0.000 0.874 83 P CB 0.231 31.879 31.700 -0.087 0.000 0.790 84 K N -0.425 119.935 120.400 -0.067 0.000 2.211 84 K HA -0.152 4.168 4.320 0.000 0.000 0.204 84 K C 1.775 178.362 176.600 -0.020 0.000 1.047 84 K CA 1.233 57.500 56.287 -0.035 0.000 0.935 84 K CB -0.541 31.945 32.500 -0.023 0.000 0.728 84 K HN 0.215 nan 8.250 nan 0.000 0.452 85 D N 0.722 121.107 120.400 -0.027 0.000 2.224 85 D HA -0.065 4.575 4.640 0.000 0.000 0.205 85 D C 1.695 178.018 176.300 0.039 0.000 0.965 85 D CA 0.814 54.846 54.000 0.053 0.000 0.852 85 D CB 0.154 41.065 40.800 0.185 0.000 0.947 85 D HN 0.215 nan 8.370 nan 0.000 0.494 86 A N 0.356 123.103 122.820 -0.123 0.000 2.119 86 A HA -0.025 4.295 4.320 0.000 0.000 0.216 86 A C 2.002 179.594 177.584 0.013 0.000 1.152 86 A CA 0.366 52.354 52.037 -0.082 0.000 0.708 86 A CB -0.108 18.732 19.000 -0.266 0.000 0.805 86 A HN 0.185 nan 8.150 nan 0.000 0.460 87 L N -0.488 120.741 121.223 0.009 0.000 2.249 87 L HA 0.088 4.428 4.340 0.000 0.000 0.207 87 L C 2.044 178.948 176.870 0.057 0.000 1.090 87 L CA 1.640 56.508 54.840 0.047 0.000 0.802 87 L CB -0.328 41.766 42.059 0.059 0.000 0.947 87 L HN 0.264 nan 8.230 nan 0.000 0.453 88 K N -0.272 120.158 120.400 0.050 0.000 2.002 88 K HA -0.112 4.208 4.320 0.000 0.000 0.209 88 K C 1.767 178.404 176.600 0.062 0.000 1.048 88 K CA 1.508 57.827 56.287 0.053 0.000 0.930 88 K CB -0.549 31.981 32.500 0.049 0.000 0.714 88 K HN 0.324 nan 8.250 nan 0.000 0.438 89 N N 1.172 119.921 118.700 0.083 0.000 2.192 89 N HA -0.170 4.570 4.740 0.000 0.000 0.188 89 N C 1.719 177.269 175.510 0.067 0.000 1.013 89 N CA 1.565 54.668 53.050 0.087 0.000 0.863 89 N CB -0.275 38.290 38.487 0.131 0.000 0.990 89 N HN 0.279 nan 8.380 nan 0.000 0.430 90 A N 0.269 123.126 122.820 0.063 0.000 1.911 90 A HA 0.007 4.327 4.320 0.000 0.000 0.212 90 A C 2.633 180.239 177.584 0.037 0.000 1.189 90 A CA 0.571 52.636 52.037 0.046 0.000 0.639 90 A CB -0.833 18.192 19.000 0.042 0.000 0.839 90 A HN 0.367 nan 8.150 nan 0.000 0.449 91 C N 0.144 119.472 119.300 0.047 0.000 2.393 91 C HA -0.156 4.304 4.460 0.000 0.000 0.276 91 C C 2.687 177.696 174.990 0.031 0.000 1.215 91 C CA 1.247 60.291 59.018 0.043 0.000 1.743 91 C CB -1.464 26.310 27.740 0.057 0.000 2.044 91 C HN 0.640 nan 8.230 nan 0.000 0.464 92 N N 1.500 120.220 118.700 0.034 0.000 2.036 92 N HA -0.162 4.578 4.740 0.000 0.000 0.199 92 N C 1.779 177.303 175.510 0.023 0.000 1.036 92 N CA 2.217 55.284 53.050 0.028 0.000 0.870 92 N CB -0.929 37.577 38.487 0.031 0.000 1.055 92 N HN 0.560 nan 8.380 nan 0.000 0.436 93 S N 1.013 116.727 115.700 0.024 0.000 2.392 93 S HA -0.138 4.332 4.470 0.000 0.000 0.232 93 S C 1.979 176.585 174.600 0.010 0.000 1.041 93 S CA 0.849 59.059 58.200 0.017 0.000 1.026 93 S CB -0.177 63.032 63.200 0.016 0.000 0.845 93 S HN 0.223 nan 8.310 nan 0.000 0.465 94 I N 1.691 122.265 120.570 0.008 0.000 2.141 94 I HA -0.032 4.138 4.170 0.000 0.000 0.236 94 I C 2.310 178.427 176.117 -0.000 0.000 1.071 94 I CA 1.023 62.322 61.300 -0.001 0.000 1.345 94 I CB -1.215 36.781 38.000 -0.007 0.000 1.066 94 I HN 0.249 nan 8.210 nan 0.000 0.406 95 I N 1.288 121.861 120.570 0.005 0.000 2.399 95 I HA -0.354 3.816 4.170 0.000 0.000 0.254 95 I C 2.097 178.217 176.117 0.006 0.000 1.146 95 I CA 1.132 62.435 61.300 0.005 0.000 1.412 95 I CB -0.403 37.603 38.000 0.011 0.000 1.076 95 I HN 0.336 nan 8.210 nan 0.000 0.432 96 N N 1.092 119.797 118.700 0.009 0.000 2.109 96 N HA -0.115 4.625 4.740 0.000 0.000 0.188 96 N C 1.641 177.156 175.510 0.008 0.000 1.034 96 N CA 1.258 54.314 53.050 0.010 0.000 0.846 96 N CB -0.170 38.324 38.487 0.012 0.000 1.010 96 N HN 0.381 nan 8.380 nan 0.000 0.425 97 K N 0.337 120.740 120.400 0.005 0.000 2.432 97 K HA 0.142 4.462 4.320 0.000 0.000 0.196 97 K C 1.750 178.351 176.600 0.001 0.000 1.038 97 K CA 0.360 56.650 56.287 0.004 0.000 0.986 97 K CB 0.244 32.745 32.500 0.001 0.000 0.782 97 K HN 0.117 nan 8.250 nan 0.000 0.485 98 L N 0.039 121.261 121.223 -0.002 0.000 2.130 98 L HA 0.065 4.405 4.340 0.000 0.000 0.200 98 L C 2.422 179.293 176.870 0.001 0.000 1.075 98 L CA 0.821 55.656 54.840 -0.008 0.000 0.768 98 L CB -1.044 41.005 42.059 -0.017 0.000 0.933 98 L HN 0.306 nan 8.230 nan 0.000 0.451 99 G N 0.916 109.720 108.800 0.005 0.000 2.884 99 G HA2 -0.477 3.483 3.960 0.000 0.000 0.262 99 G HA3 -0.477 3.483 3.960 0.000 0.000 0.262 99 G C 1.587 176.500 174.900 0.021 0.000 1.107 99 G CA 1.908 47.016 45.100 0.013 0.000 0.739 99 G HN 0.510 nan 8.290 nan 0.000 0.663 100 A N 0.206 123.038 122.820 0.020 0.000 1.841 100 A HA 0.043 4.363 4.320 0.000 0.000 0.216 100 A C 2.449 180.056 177.584 0.039 0.000 1.199 100 A CA 2.130 54.183 52.037 0.028 0.000 0.621 100 A CB -0.725 18.289 19.000 0.022 0.000 0.835 100 A HN 0.688 nan 8.150 nan 0.000 0.445 101 L N 0.374 121.617 121.223 0.034 0.000 2.129 101 L HA -0.211 4.129 4.340 0.000 0.000 0.212 101 L C 2.220 179.138 176.870 0.080 0.000 1.087 101 L CA 2.838 57.706 54.840 0.048 0.000 0.757 101 L CB -0.858 41.210 42.059 0.014 0.000 0.896 101 L HN 0.661 nan 8.230 nan 0.000 0.434 102 K N -1.258 119.178 120.400 0.059 0.000 2.217 102 K HA -0.124 4.196 4.320 0.000 0.000 0.202 102 K C 1.716 178.401 176.600 0.141 0.000 1.051 102 K CA 1.507 57.845 56.287 0.086 0.000 0.952 102 K CB 0.115 32.637 32.500 0.036 0.000 0.736 102 K HN 0.309 nan 8.250 nan 0.000 0.453 103 T N 1.444 116.057 114.554 0.098 0.000 2.643 103 T HA -0.066 4.284 4.350 0.000 0.000 0.256 103 T C 1.383 176.143 174.700 0.100 0.000 1.061 103 T CA 1.570 63.720 62.100 0.085 0.000 1.163 103 T CB -0.409 68.492 68.868 0.054 0.000 0.865 103 T HN 0.338 nan 8.240 nan 0.000 0.407 104 N N 0.780 119.538 118.700 0.097 0.000 2.322 104 N HA -0.075 4.665 4.740 0.000 0.000 0.189 104 N C 1.246 176.835 175.510 0.132 0.000 1.012 104 N CA 0.797 53.905 53.050 0.096 0.000 0.880 104 N CB -0.360 38.182 38.487 0.090 0.000 0.967 104 N HN 0.358 nan 8.380 nan 0.000 0.439 105 F N 1.141 121.114 119.950 0.038 0.000 2.164 105 F HA 0.129 4.656 4.527 0.000 0.000 0.287 105 F C 2.111 177.969 175.800 0.097 0.000 1.086 105 F CA 0.753 58.784 58.000 0.052 0.000 1.249 105 F CB -0.360 38.642 39.000 0.003 0.000 1.059 105 F HN -0.076 nan 8.300 nan 0.000 0.490 106 E N -0.432 119.858 120.200 0.151 0.000 2.233 106 E HA -0.241 4.109 4.350 0.000 0.000 0.199 106 E C 1.964 178.588 176.600 0.041 0.000 1.004 106 E CA 1.900 58.354 56.400 0.090 0.000 0.819 106 E CB -0.136 29.641 29.700 0.128 0.000 0.738 106 E HN 0.410 nan 8.360 nan 0.000 0.478 107 T N 0.155 114.719 114.554 0.017 0.000 2.698 107 T HA -0.090 4.260 4.350 0.000 0.000 0.260 107 T C 1.490 176.172 174.700 -0.030 0.000 1.044 107 T CA 0.721 62.823 62.100 0.004 0.000 1.149 107 T CB -0.084 68.794 68.868 0.016 0.000 0.864 107 T HN 0.139 nan 8.240 nan 0.000 0.419 108 E N 0.081 120.245 120.200 -0.060 0.000 2.331 108 E HA -0.131 4.219 4.350 0.000 0.000 0.199 108 E C 1.716 178.264 176.600 -0.088 0.000 1.008 108 E CA 0.547 56.905 56.400 -0.070 0.000 0.843 108 E CB -0.054 29.622 29.700 -0.040 0.000 0.761 108 E HN 0.666 nan 8.360 nan 0.000 0.507 109 W N 1.196 122.291 121.300 -0.342 0.000 2.812 109 W HA 0.007 4.667 4.660 0.000 0.000 0.263 109 W C 1.123 177.536 176.519 -0.177 0.000 1.284 109 W CA 0.299 57.440 57.345 -0.340 0.000 1.430 109 W CB 0.248 29.380 29.460 -0.547 0.000 1.088 109 W HN 0.024 nan 8.180 nan 0.000 0.623 110 N N 1.302 119.869 118.700 -0.222 0.000 2.305 110 N HA -0.065 4.675 4.740 0.000 0.000 0.179 110 N C 1.696 177.074 175.510 -0.220 0.000 1.019 110 N CA 0.879 53.780 53.050 -0.248 0.000 0.869 110 N CB -0.874 37.546 38.487 -0.113 0.000 1.000 110 N HN 0.186 nan 8.380 nan 0.000 0.431 111 L N 0.869 122.002 121.223 -0.151 0.000 2.963 111 L HA -0.078 4.262 4.340 0.000 0.000 0.255 111 L C 0.181 176.952 176.870 -0.164 0.000 1.177 111 L CA 0.708 55.471 54.840 -0.128 0.000 0.865 111 L CB -0.910 41.099 42.059 -0.083 0.000 1.073 111 L HN 0.093 nan 8.230 nan 0.000 0.460 112 Q N 0.359 120.000 119.800 -0.265 0.000 2.353 112 Q HA 0.418 4.758 4.340 0.000 0.000 0.268 112 Q C -0.351 175.457 176.000 -0.321 0.000 1.045 112 Q CA -0.391 55.220 55.803 -0.320 0.000 0.811 112 Q CB 2.164 30.604 28.738 -0.496 0.000 1.305 112 Q HN 0.171 nan 8.270 nan 0.000 0.447 113 T N 0.711 115.128 114.554 -0.229 0.000 2.885 113 T HA 0.799 5.149 4.350 0.000 0.000 0.285 113 T C -0.210 174.392 174.700 -0.163 0.000 1.019 113 T CA -0.853 61.133 62.100 -0.190 0.000 1.010 113 T CB 0.894 69.690 68.868 -0.121 0.000 1.022 113 T HN 0.776 nan 8.240 nan 0.000 0.466 114 L N 0.000 121.140 121.223 -0.139 0.000 2.949 114 L HA 0.000 4.340 4.340 0.000 0.000 0.249 114 L CA 0.000 54.788 54.840 -0.086 0.000 0.813 114 L CB 0.000 42.035 42.059 -0.040 0.000 0.961 114 L HN 0.000 nan 8.230 nan 0.000 0.502