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 2zkx_1_D DATA FIRST_RESID 2 DATA SEQUENCE TKAVCVLKGD GPVQGIINFE QXXXXXPVKV WGSIKGLTEG LHGFHVHEFG DATA SEQUENCE DNTAGcTSAG PHFNPLXXXX XXXXXXXXXX GDLRNVTADK DGVADVSIED DATA SEQUENCE SVISLSGDHC IIGRTLVVHE KADDXXXXXX XXXXXXXXAG SRLAcGVIGI DATA SEQUENCE A 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.750 174.700 0.083 0.000 1.109 2 T CA 0.000 62.133 62.100 0.055 0.000 1.349 2 T CB 0.000 68.890 68.868 0.037 0.000 0.612 3 K N 0.033 120.482 120.400 0.083 0.000 2.464 3 K HA 0.827 5.146 4.320 -0.000 0.000 0.253 3 K C -0.962 175.690 176.600 0.088 0.000 0.933 3 K CA -0.846 55.512 56.287 0.119 0.000 0.801 3 K CB 2.720 35.302 32.500 0.136 0.000 1.271 3 K HN 1.004 nan 8.250 nan 0.000 0.430 4 A N 1.441 124.333 122.820 0.120 0.000 2.386 4 A HA 0.849 5.169 4.320 -0.000 0.000 0.308 4 A C -1.408 176.267 177.584 0.153 0.000 1.128 4 A CA -0.713 51.373 52.037 0.081 0.000 0.789 4 A CB 1.945 20.916 19.000 -0.048 0.000 1.325 4 A HN 0.402 nan 8.150 nan 0.000 0.437 5 V N -0.575 119.403 119.914 0.106 0.000 3.087 5 V HA 0.675 4.795 4.120 -0.000 0.000 0.306 5 V C -1.434 174.710 176.094 0.085 0.000 1.187 5 V CA -0.232 62.117 62.300 0.082 0.000 0.999 5 V CB 1.708 33.526 31.823 -0.007 0.000 1.049 5 V HN 1.817 nan 8.190 nan 0.000 0.431 6 C N 5.366 124.714 119.300 0.081 0.000 2.686 6 C HA 0.805 5.264 4.460 -0.000 0.000 0.318 6 C C -1.071 173.929 174.990 0.017 0.000 1.160 6 C CA -0.278 58.779 59.018 0.066 0.000 1.396 6 C CB 1.001 28.833 27.740 0.154 0.000 1.924 6 C HN 0.872 nan 8.230 nan 0.000 0.471 7 V N 6.797 126.712 119.914 0.002 0.000 2.311 7 V HA 0.387 4.507 4.120 -0.000 0.000 0.275 7 V C -0.340 175.748 176.094 -0.009 0.000 1.022 7 V CA -0.270 62.024 62.300 -0.011 0.000 0.830 7 V CB 0.924 32.739 31.823 -0.014 0.000 1.012 7 V HN 0.707 nan 8.190 nan 0.000 0.452 8 L N 6.196 127.414 121.223 -0.009 0.000 2.281 8 L HA 0.476 4.816 4.340 -0.000 0.000 0.285 8 L C 0.222 177.078 176.870 -0.023 0.000 1.074 8 L CA 0.442 55.274 54.840 -0.012 0.000 0.817 8 L CB 0.526 42.585 42.059 0.001 0.000 1.168 8 L HN 0.520 nan 8.230 nan 0.000 0.434 9 K N 1.424 121.807 120.400 -0.028 0.000 2.371 9 K HA 0.840 5.160 4.320 -0.000 0.000 0.251 9 K C -0.199 176.379 176.600 -0.037 0.000 0.934 9 K CA -0.602 55.667 56.287 -0.030 0.000 0.798 9 K CB 2.340 34.825 32.500 -0.024 0.000 1.204 9 K HN 0.712 nan 8.250 nan 0.000 0.427 10 G N 0.236 109.014 108.800 -0.036 0.000 2.730 10 G HA2 0.163 4.123 3.960 -0.000 0.000 0.289 10 G HA3 0.163 4.123 3.960 -0.000 0.000 0.289 10 G C -0.277 174.604 174.900 -0.031 0.000 1.341 10 G CA -0.620 44.456 45.100 -0.040 0.000 0.932 10 G HN 0.582 nan 8.290 nan 0.000 0.481 11 D N -0.193 120.190 120.400 -0.029 0.000 2.218 11 D HA -0.029 4.611 4.640 -0.000 0.000 0.204 11 D C 1.652 177.941 176.300 -0.018 0.000 0.976 11 D CA 1.425 55.413 54.000 -0.021 0.000 0.853 11 D CB 0.101 40.891 40.800 -0.017 0.000 0.939 11 D HN 0.419 nan 8.370 nan 0.000 0.481 12 G N 0.967 109.754 108.800 -0.021 0.000 2.849 12 G HA2 0.254 4.214 3.960 -0.000 0.000 0.174 12 G HA3 0.254 4.214 3.960 -0.000 0.000 0.174 12 G C -1.524 173.362 174.900 -0.022 0.000 1.370 12 G CA -0.377 44.711 45.100 -0.019 0.000 1.040 12 G HN -0.034 nan 8.290 nan 0.000 0.582 13 P HA 0.087 nan 4.420 nan 0.000 0.235 13 P C 0.369 177.649 177.300 -0.034 0.000 1.177 13 P CA 0.117 63.203 63.100 -0.024 0.000 0.785 13 P CB 0.179 31.867 31.700 -0.020 0.000 0.885 14 V N 2.912 122.800 119.914 -0.044 0.000 2.493 14 V HA 0.013 4.133 4.120 -0.000 0.000 0.292 14 V C 0.540 176.605 176.094 -0.049 0.000 1.016 14 V CA 0.630 62.895 62.300 -0.059 0.000 1.097 14 V CB -0.626 31.148 31.823 -0.081 0.000 0.947 14 V HN 0.349 nan 8.190 nan 0.000 0.479 15 Q N 3.960 123.732 119.800 -0.045 0.000 2.418 15 Q HA 0.879 5.218 4.340 -0.000 0.000 0.282 15 Q C -0.480 175.498 176.000 -0.037 0.000 1.044 15 Q CA -0.815 54.967 55.803 -0.036 0.000 0.813 15 Q CB 2.675 31.395 28.738 -0.029 0.000 1.428 15 Q HN 0.749 nan 8.270 nan 0.000 0.402 16 G N 0.613 109.394 108.800 -0.031 0.000 2.550 16 G HA2 0.649 4.609 3.960 -0.000 0.000 0.293 16 G HA3 0.649 4.609 3.960 -0.000 0.000 0.293 16 G C -1.786 173.092 174.900 -0.038 0.000 1.402 16 G CA -0.826 44.253 45.100 -0.035 0.000 0.784 16 G HN 0.567 nan 8.290 nan 0.000 0.482 17 I N 0.685 121.219 120.570 -0.061 0.000 2.571 17 I HA 0.401 4.571 4.170 -0.000 0.000 0.289 17 I C -1.061 174.959 176.117 -0.161 0.000 1.115 17 I CA -0.752 60.495 61.300 -0.089 0.000 1.045 17 I CB 2.118 40.065 38.000 -0.087 0.000 1.238 17 I HN 0.165 nan 8.210 nan 0.000 0.424 18 I N 5.506 125.963 120.570 -0.188 0.000 2.509 18 I HA 0.432 4.602 4.170 -0.000 0.000 0.293 18 I C -0.411 175.390 176.117 -0.527 0.000 1.020 18 I CA -0.642 60.442 61.300 -0.361 0.000 1.088 18 I CB 1.906 39.763 38.000 -0.238 0.000 1.267 18 I HN 0.541 nan 8.210 nan 0.000 0.430 19 N N 5.113 123.234 118.700 -0.964 0.000 2.404 19 N HA 0.635 5.375 4.740 -0.000 0.000 0.297 19 N C -1.407 173.521 175.510 -0.970 0.000 1.163 19 N CA -0.321 52.085 53.050 -1.073 0.000 0.864 19 N CB 2.503 39.705 38.487 -2.143 0.000 1.247 19 N HN 0.250 nan 8.380 nan 0.000 0.510 20 F N 0.134 119.890 119.950 -0.323 0.000 2.561 20 F HA 0.339 4.866 4.527 -0.000 0.000 0.313 20 F C 0.176 176.050 175.800 0.125 0.000 1.126 20 F CA -0.655 57.332 58.000 -0.022 0.000 0.918 20 F CB 2.291 41.284 39.000 -0.012 0.000 1.199 20 F HN 0.315 nan 8.300 nan 0.000 0.444 21 E N 2.486 122.946 120.200 0.432 0.000 2.314 21 E HA 0.527 4.877 4.350 -0.000 0.000 0.272 21 E C -1.564 175.181 176.600 0.242 0.000 0.884 21 E CA -0.555 56.048 56.400 0.339 0.000 0.753 21 E CB 2.774 32.714 29.700 0.399 0.000 1.213 21 E HN 0.743 nan 8.360 nan 0.000 0.432 29 V N 1.135 121.132 119.914 0.139 0.000 2.530 29 V HA 0.232 4.352 4.120 -0.000 0.000 0.282 29 V C 0.736 176.953 176.094 0.205 0.000 1.048 29 V CA -0.248 62.165 62.300 0.190 0.000 0.997 29 V CB 1.615 33.581 31.823 0.238 0.000 0.987 29 V HN 0.301 nan 8.190 nan 0.000 0.477 30 K N 4.350 124.888 120.400 0.230 0.000 2.264 30 K HA 0.507 4.826 4.320 -0.000 0.000 0.277 30 K C -1.173 175.625 176.600 0.329 0.000 1.067 30 K CA -0.403 56.026 56.287 0.236 0.000 0.900 30 K CB 1.181 33.792 32.500 0.184 0.000 1.124 30 K HN 0.552 nan 8.250 nan 0.000 0.469 31 V N 5.766 125.806 119.914 0.210 0.000 2.427 31 V HA 0.548 4.668 4.120 -0.000 0.000 0.286 31 V C -0.636 175.536 176.094 0.131 0.000 1.034 31 V CA -0.581 61.713 62.300 -0.011 0.000 0.893 31 V CB 0.286 32.054 31.823 -0.091 0.000 0.982 31 V HN 0.934 nan 8.190 nan 0.000 0.452 32 W N 3.291 124.451 121.300 -0.234 0.000 3.066 32 W HA 0.878 5.538 4.660 -0.000 0.000 0.330 32 W C -0.258 176.169 176.519 -0.154 0.000 1.253 32 W CA -0.089 57.161 57.345 -0.158 0.000 1.187 32 W CB 1.032 30.433 29.460 -0.099 0.000 1.434 32 W HN 1.099 nan 8.180 nan 0.000 0.572 33 G N 0.549 109.281 108.800 -0.114 0.000 2.350 33 G HA2 0.461 4.421 3.960 -0.000 0.000 0.282 33 G HA3 0.461 4.421 3.960 -0.000 0.000 0.282 33 G C -1.501 173.353 174.900 -0.076 0.000 1.314 33 G CA -0.432 44.550 45.100 -0.197 0.000 0.915 33 G HN 0.995 nan 8.290 nan 0.000 0.499 34 S N -0.994 114.659 115.700 -0.080 0.000 2.599 34 S HA 0.865 5.335 4.470 -0.000 0.000 0.294 34 S C -0.612 173.946 174.600 -0.070 0.000 1.094 34 S CA -0.614 57.550 58.200 -0.060 0.000 0.931 34 S CB 1.765 64.947 63.200 -0.030 0.000 1.093 34 S HN 0.722 nan 8.310 nan 0.000 0.488 35 I N 2.148 122.675 120.570 -0.071 0.000 2.571 35 I HA 0.406 4.575 4.170 -0.000 0.000 0.289 35 I C -0.923 175.154 176.117 -0.066 0.000 1.115 35 I CA -0.741 60.518 61.300 -0.069 0.000 1.045 35 I CB 1.924 39.873 38.000 -0.085 0.000 1.238 35 I HN 0.483 nan 8.210 nan 0.000 0.424 36 K N 3.657 124.023 120.400 -0.057 0.000 2.328 36 K HA 0.796 5.116 4.320 -0.000 0.000 0.246 36 K C 0.379 176.945 176.600 -0.056 0.000 0.955 36 K CA -0.719 55.538 56.287 -0.050 0.000 0.817 36 K CB 2.397 34.877 32.500 -0.034 0.000 1.208 36 K HN 0.834 nan 8.250 nan 0.000 0.432 37 G N 0.740 109.510 108.800 -0.051 0.000 2.163 37 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.213 37 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.213 37 G C -0.191 174.668 174.900 -0.068 0.000 0.991 37 G CA -0.286 44.786 45.100 -0.048 0.000 0.653 37 G HN 0.384 nan 8.290 nan 0.000 0.518 38 L N 1.563 122.728 121.223 -0.097 0.000 2.421 38 L HA 0.585 4.924 4.340 -0.000 0.000 0.263 38 L C 1.401 178.285 176.870 0.023 0.000 1.122 38 L CA -0.149 54.596 54.840 -0.158 0.000 0.804 38 L CB 1.029 42.878 42.059 -0.350 0.000 1.150 38 L HN 0.343 nan 8.230 nan 0.000 0.457 39 T N -1.835 112.818 114.554 0.165 0.000 2.832 39 T HA 0.135 4.485 4.350 -0.000 0.000 0.296 39 T C 0.006 174.855 174.700 0.248 0.000 0.968 39 T CA -0.813 61.398 62.100 0.184 0.000 1.107 39 T CB 1.041 70.010 68.868 0.168 0.000 0.916 39 T HN 0.651 nan 8.240 nan 0.000 0.517 40 E N 1.971 122.240 120.200 0.115 0.000 2.765 40 E HA 0.282 4.632 4.350 -0.000 0.000 0.256 40 E C 0.712 177.337 176.600 0.041 0.000 0.935 40 E CA 0.831 57.276 56.400 0.074 0.000 0.954 40 E CB -0.689 29.032 29.700 0.035 0.000 0.908 40 E HN 1.145 nan 8.360 nan 0.000 0.500 41 G N 2.533 111.344 108.800 0.018 0.000 2.278 41 G HA2 0.012 3.972 3.960 -0.000 0.000 0.265 41 G HA3 0.012 3.972 3.960 -0.000 0.000 0.265 41 G C -1.662 173.156 174.900 -0.136 0.000 1.329 41 G CA -0.573 44.479 45.100 -0.079 0.000 1.017 41 G HN 0.511 nan 8.290 nan 0.000 0.472 42 L N 1.663 122.749 121.223 -0.228 0.000 2.289 42 L HA 0.696 5.035 4.340 -0.000 0.000 0.285 42 L C -0.189 176.461 176.870 -0.367 0.000 1.049 42 L CA -0.500 54.229 54.840 -0.186 0.000 0.804 42 L CB 1.165 43.167 42.059 -0.095 0.000 1.195 42 L HN 0.605 nan 8.230 nan 0.000 0.428 43 H N 2.401 121.484 119.070 0.023 0.000 2.667 43 H HA 0.367 4.923 4.556 -0.000 0.000 0.353 43 H C 0.048 175.425 175.328 0.082 0.000 1.072 43 H CA -0.748 55.334 56.048 0.058 0.000 1.214 43 H CB 1.819 31.609 29.762 0.047 0.000 1.600 43 H HN 0.735 nan 8.280 nan 0.000 0.527 44 G N 1.915 110.847 108.800 0.219 0.000 2.265 44 G HA2 0.140 4.099 3.960 -0.000 0.000 0.240 44 G HA3 0.140 4.099 3.960 -0.000 0.000 0.240 44 G C -0.839 174.101 174.900 0.067 0.000 1.270 44 G CA 0.213 45.364 45.100 0.086 0.000 0.901 44 G HN 0.425 nan 8.290 nan 0.000 0.507 45 F N 4.015 123.680 119.950 -0.475 0.000 2.828 45 F HA 0.487 5.013 4.527 -0.000 0.000 0.355 45 F C -0.664 174.889 175.800 -0.412 0.000 1.200 45 F CA -0.857 56.941 58.000 -0.336 0.000 1.062 45 F CB 0.979 39.917 39.000 -0.103 0.000 1.351 45 F HN 0.758 nan 8.300 nan 0.000 0.504 46 H N 2.048 120.978 119.070 -0.232 0.000 2.990 46 H HA 0.647 5.203 4.556 -0.001 0.000 0.336 46 H C -1.496 173.711 175.328 -0.201 0.000 1.306 46 H CA -1.438 54.437 56.048 -0.289 0.000 1.118 46 H CB 0.842 30.386 29.762 -0.362 0.000 1.856 46 H HN 0.152 nan 8.280 nan 0.000 0.538 47 V N 2.194 122.101 119.914 -0.011 0.000 2.530 47 V HA 0.145 4.265 4.120 -0.000 0.000 0.282 47 V C 0.329 176.439 176.094 0.027 0.000 1.048 47 V CA -0.164 62.141 62.300 0.009 0.000 0.997 47 V CB 0.241 32.068 31.823 0.007 0.000 0.987 47 V HN 0.684 nan 8.190 nan 0.000 0.477 48 H N 2.379 121.428 119.070 -0.035 0.000 2.570 48 H HA 0.328 4.884 4.556 -0.000 0.000 0.342 48 H C 0.742 175.980 175.328 -0.151 0.000 1.245 48 H CA -0.631 55.405 56.048 -0.021 0.000 1.318 48 H CB 2.044 31.809 29.762 0.005 0.000 1.694 48 H HN 0.687 nan 8.280 nan 0.000 0.592 49 E N 0.652 120.734 120.200 -0.197 0.000 2.047 49 E HA -0.078 4.272 4.350 -0.000 0.000 0.191 49 E C -0.357 175.871 176.600 -0.621 0.000 0.987 49 E CA 1.159 57.244 56.400 -0.525 0.000 0.799 49 E CB 0.235 29.369 29.700 -0.942 0.000 0.752 49 E HN 0.196 nan 8.360 nan 0.000 0.449 50 F N -1.117 118.853 119.950 0.033 0.000 2.470 50 F HA 0.430 4.957 4.527 -0.000 0.000 0.329 50 F C 1.102 176.884 175.800 -0.031 0.000 1.072 50 F CA -1.083 56.910 58.000 -0.012 0.000 0.989 50 F CB 1.229 40.234 39.000 0.008 0.000 1.193 50 F HN -0.228 nan 8.300 nan 0.000 0.481 51 G N 0.306 109.190 108.800 0.139 0.000 3.678 51 G HA2 0.052 4.012 3.960 -0.000 0.000 0.287 51 G HA3 0.052 4.012 3.960 -0.000 0.000 0.287 51 G C -0.642 174.290 174.900 0.054 0.000 1.280 51 G CA -0.130 44.997 45.100 0.045 0.000 1.118 51 G HN 0.496 nan 8.290 nan 0.000 0.563 52 D N 0.290 120.749 120.400 0.099 0.000 2.249 52 D HA 0.171 4.811 4.640 -0.000 0.000 0.246 52 D C 0.203 176.525 176.300 0.037 0.000 1.114 52 D CA -0.311 53.723 54.000 0.057 0.000 0.854 52 D CB 0.620 41.457 40.800 0.061 0.000 1.132 52 D HN 0.205 nan 8.370 nan 0.000 0.461 53 N N 1.848 120.555 118.700 0.011 0.000 2.433 53 N HA 0.009 4.749 4.740 -0.000 0.000 0.270 53 N C 0.660 176.167 175.510 -0.005 0.000 1.354 53 N CA -0.020 53.030 53.050 -0.000 0.000 0.889 53 N CB 0.832 39.314 38.487 -0.010 0.000 1.285 53 N HN 0.387 nan 8.380 nan 0.000 0.503 54 T N -2.933 111.619 114.554 -0.003 0.000 3.088 54 T HA 0.148 4.498 4.350 -0.000 0.000 0.259 54 T C 1.092 175.788 174.700 -0.006 0.000 1.122 54 T CA 0.099 62.195 62.100 -0.007 0.000 1.095 54 T CB 0.272 69.133 68.868 -0.011 0.000 0.930 54 T HN 0.100 nan 8.240 nan 0.000 0.508 55 A N 0.330 123.148 122.820 -0.002 0.000 2.959 55 A HA 0.764 5.084 4.320 -0.000 0.000 0.280 55 A C 1.194 178.774 177.584 -0.005 0.000 0.953 55 A CA -0.105 51.931 52.037 -0.001 0.000 1.047 55 A CB -0.621 18.383 19.000 0.005 0.000 1.147 55 A HN 0.958 nan 8.150 nan 0.000 0.489 56 G N -0.325 108.468 108.800 -0.012 0.000 2.596 56 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.295 56 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.295 56 G C 1.026 175.908 174.900 -0.031 0.000 1.240 56 G CA 0.446 45.533 45.100 -0.022 0.000 0.985 56 G HN 0.998 nan 8.290 nan 0.000 0.555 57 c N 1.023 119.592 118.600 -0.051 0.000 2.626 57 c HA 0.355 4.924 4.570 -0.000 0.000 0.266 57 c C 2.794 176.842 174.090 -0.070 0.000 1.317 57 c CA 1.123 57.400 56.329 -0.086 0.000 1.716 57 c CB -1.545 40.882 42.510 -0.138 0.000 1.819 57 c HN 0.760 nan 8.230 nan 0.000 0.578 58 T N 1.569 116.110 114.554 -0.022 0.000 2.732 58 T HA -0.113 4.237 4.350 -0.000 0.000 0.261 58 T C 1.941 176.671 174.700 0.050 0.000 1.040 58 T CA 1.931 64.038 62.100 0.012 0.000 1.145 58 T CB -0.343 68.537 68.868 0.019 0.000 0.866 58 T HN 0.695 nan 8.240 nan 0.000 0.427 59 S N 1.850 117.582 115.700 0.052 0.000 2.584 59 S HA 0.171 4.641 4.470 -0.000 0.000 0.240 59 S C 2.049 176.759 174.600 0.183 0.000 0.975 59 S CA 0.473 58.731 58.200 0.098 0.000 0.949 59 S CB -0.512 62.719 63.200 0.052 0.000 0.761 59 S HN 0.493 nan 8.310 nan 0.000 0.536 60 A N 1.429 124.321 122.820 0.119 0.000 2.119 60 A HA 0.491 4.811 4.320 -0.000 0.000 0.217 60 A C 1.584 179.291 177.584 0.204 0.000 1.153 60 A CA 0.680 52.787 52.037 0.117 0.000 0.692 60 A CB -1.162 17.797 19.000 -0.069 0.000 0.799 60 A HN 1.403 nan 8.150 nan 0.000 0.458 61 G N -0.934 108.025 108.800 0.265 0.000 2.693 61 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.226 61 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.226 61 G C -2.507 172.562 174.900 0.282 0.000 1.354 61 G CA -0.246 45.010 45.100 0.260 0.000 0.873 61 G HN 0.487 nan 8.290 nan 0.000 0.562 62 P HA 0.221 nan 4.420 nan 0.000 0.289 62 P C -0.057 177.173 177.300 -0.117 0.000 1.299 62 P CA -0.314 62.810 63.100 0.040 0.000 0.766 62 P CB 0.325 31.996 31.700 -0.049 0.000 1.226 63 H N -1.180 117.640 119.070 -0.416 0.000 2.815 63 H HA 0.030 4.586 4.556 -0.001 0.000 0.350 63 H C -0.007 175.155 175.328 -0.276 0.000 1.080 63 H CA -0.596 55.116 56.048 -0.559 0.000 1.433 63 H CB 0.024 29.497 29.762 -0.481 0.000 1.432 63 H HN 0.280 nan 8.280 nan 0.000 0.592 64 F N 3.800 123.592 119.950 -0.263 0.000 2.506 64 F HA 0.009 4.536 4.527 -0.000 0.000 0.369 64 F C -0.061 175.631 175.800 -0.180 0.000 1.114 64 F CA -0.742 57.127 58.000 -0.219 0.000 1.121 64 F CB -0.471 38.409 39.000 -0.199 0.000 1.104 64 F HN 0.436 nan 8.300 nan 0.000 0.564 65 N N 8.277 126.728 118.700 -0.415 0.000 2.682 65 N HA 0.395 5.134 4.740 -0.000 0.000 0.252 65 N C -1.942 173.298 175.510 -0.449 0.000 1.081 65 N CA -1.721 51.055 53.050 -0.458 0.000 0.844 65 N CB 1.077 39.427 38.487 -0.228 0.000 1.167 65 N HN 0.302 nan 8.380 nan 0.000 0.523 66 P HA 0.015 nan 4.420 nan 0.000 0.227 66 P C 0.025 177.231 177.300 -0.155 0.000 1.161 66 P CA 0.552 63.449 63.100 -0.338 0.000 0.788 66 P CB 0.797 32.267 31.700 -0.384 0.000 0.822 83 D N 0.726 121.091 120.400 -0.057 0.000 2.471 83 D HA 0.526 5.165 4.640 -0.000 0.000 0.245 83 D C 1.037 177.387 176.300 0.084 0.000 1.116 83 D CA -0.392 53.606 54.000 -0.004 0.000 0.853 83 D CB 1.813 42.599 40.800 -0.023 0.000 1.123 83 D HN 0.017 nan 8.370 nan 0.000 0.540 84 L N 2.056 123.371 121.223 0.153 0.000 2.640 84 L HA 0.328 4.668 4.340 -0.000 0.000 0.230 84 L C 1.763 178.774 176.870 0.234 0.000 1.123 84 L CA -0.012 54.959 54.840 0.218 0.000 0.900 84 L CB -0.587 41.668 42.059 0.327 0.000 1.146 84 L HN 0.592 nan 8.230 nan 0.000 0.484 85 R N 0.538 121.163 120.500 0.208 0.000 4.066 85 R HA -0.263 4.077 4.340 -0.000 0.000 0.288 85 R C -0.226 176.176 176.300 0.169 0.000 0.241 85 R CA 1.671 57.875 56.100 0.173 0.000 0.984 85 R CB -1.783 28.585 30.300 0.114 0.000 1.043 85 R HN 0.452 nan 8.270 nan 0.000 0.539 86 N N -0.700 118.070 118.700 0.116 0.000 2.453 86 N HA 0.708 5.448 4.740 -0.000 0.000 0.290 86 N C -0.599 174.918 175.510 0.011 0.000 1.250 86 N CA 0.072 53.173 53.050 0.086 0.000 0.815 86 N CB 2.442 40.959 38.487 0.051 0.000 1.381 86 N HN 1.359 nan 8.380 nan 0.000 0.510 87 V N -2.431 117.460 119.914 -0.038 0.000 2.864 87 V HA 0.768 4.888 4.120 -0.000 0.000 0.314 87 V C -0.561 175.510 176.094 -0.037 0.000 1.073 87 V CA -0.697 61.516 62.300 -0.146 0.000 0.956 87 V CB 1.611 33.211 31.823 -0.372 0.000 1.023 87 V HN 0.654 nan 8.190 nan 0.000 0.435 88 T N 2.432 116.958 114.554 -0.046 0.000 2.771 88 T HA 0.805 5.155 4.350 -0.000 0.000 0.281 88 T C 0.003 174.711 174.700 0.013 0.000 0.982 88 T CA 0.016 62.112 62.100 -0.006 0.000 0.978 88 T CB 1.319 70.176 68.868 -0.018 0.000 0.930 88 T HN 1.401 nan 8.240 nan 0.000 0.447 89 A N 3.465 126.328 122.820 0.071 0.000 2.288 89 A HA 0.627 4.947 4.320 -0.000 0.000 0.320 89 A C -0.015 177.594 177.584 0.042 0.000 1.217 89 A CA -0.868 51.209 52.037 0.067 0.000 0.840 89 A CB 0.471 19.558 19.000 0.146 0.000 1.179 89 A HN 0.793 nan 8.150 nan 0.000 0.504 90 D N 1.074 121.485 120.400 0.018 0.000 2.447 90 D HA 0.099 4.738 4.640 -0.000 0.000 0.265 90 D C 0.850 177.159 176.300 0.016 0.000 1.250 90 D CA -0.380 53.627 54.000 0.011 0.000 1.046 90 D CB 0.726 41.527 40.800 0.002 0.000 1.095 90 D HN 0.640 nan 8.370 nan 0.000 0.555 91 K N 0.063 120.469 120.400 0.010 0.000 2.360 91 K HA -0.155 4.165 4.320 -0.000 0.000 0.201 91 K C 0.554 177.160 176.600 0.010 0.000 1.046 91 K CA 1.044 57.337 56.287 0.011 0.000 0.940 91 K CB 0.066 32.571 32.500 0.007 0.000 0.748 91 K HN 0.335 nan 8.250 nan 0.000 0.465 92 D N -1.395 119.009 120.400 0.006 0.000 2.328 92 D HA 0.054 4.694 4.640 -0.000 0.000 0.221 92 D C 0.935 177.236 176.300 0.002 0.000 1.072 92 D CA 0.584 54.586 54.000 0.003 0.000 0.850 92 D CB 0.118 40.917 40.800 -0.000 0.000 0.922 92 D HN 0.233 nan 8.370 nan 0.000 0.516 93 G N -0.639 108.166 108.800 0.009 0.000 2.148 93 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.254 93 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.254 93 G C 0.077 174.970 174.900 -0.012 0.000 0.981 93 G CA 0.408 45.511 45.100 0.006 0.000 0.670 93 G HN 0.408 nan 8.290 nan 0.000 0.528 94 V N 0.251 120.158 119.914 -0.011 0.000 2.630 94 V HA 0.838 4.958 4.120 -0.000 0.000 0.305 94 V C 0.470 176.549 176.094 -0.026 0.000 1.046 94 V CA -0.148 62.138 62.300 -0.024 0.000 0.934 94 V CB 1.899 33.710 31.823 -0.019 0.000 1.003 94 V HN 1.227 nan 8.190 nan 0.000 0.451 95 A N 2.484 125.276 122.820 -0.047 0.000 2.340 95 A HA 0.555 4.875 4.320 -0.000 0.000 0.297 95 A C -0.678 176.860 177.584 -0.075 0.000 1.195 95 A CA -0.499 51.501 52.037 -0.062 0.000 0.769 95 A CB 0.671 19.616 19.000 -0.090 0.000 1.163 95 A HN 0.749 nan 8.150 nan 0.000 0.472 96 D N 2.375 122.742 120.400 -0.054 0.000 2.277 96 D HA 0.440 5.080 4.640 -0.000 0.000 0.249 96 D C -0.588 175.674 176.300 -0.064 0.000 1.134 96 D CA 0.362 54.340 54.000 -0.037 0.000 0.863 96 D CB 1.468 42.260 40.800 -0.014 0.000 1.143 96 D HN 0.191 nan 8.370 nan 0.000 0.458 97 V N 2.399 122.274 119.914 -0.066 0.000 2.628 97 V HA 0.583 4.702 4.120 -0.000 0.000 0.306 97 V C -0.352 175.750 176.094 0.013 0.000 1.045 97 V CA -0.704 61.535 62.300 -0.102 0.000 0.905 97 V CB 1.990 33.670 31.823 -0.239 0.000 0.997 97 V HN 0.726 nan 8.190 nan 0.000 0.436 98 S N 4.219 119.925 115.700 0.010 0.000 2.357 98 S HA 0.614 5.084 4.470 -0.000 0.000 0.209 98 S C -1.011 173.615 174.600 0.044 0.000 0.981 98 S CA -0.527 57.715 58.200 0.071 0.000 1.106 98 S CB 0.246 63.471 63.200 0.041 0.000 1.266 98 S HN 0.449 nan 8.310 nan 0.000 0.410 99 I N 1.507 122.118 120.570 0.069 0.000 3.023 99 I HA 0.581 4.751 4.170 -0.000 0.000 0.312 99 I C -0.333 175.842 176.117 0.096 0.000 1.056 99 I CA -0.798 60.547 61.300 0.074 0.000 1.033 99 I CB 1.837 39.896 38.000 0.098 0.000 1.233 99 I HN 0.479 nan 8.210 nan 0.000 0.462 100 E N 2.520 122.775 120.200 0.091 0.000 2.923 100 E HA 0.242 4.592 4.350 -0.000 0.000 0.266 100 E C -1.709 174.949 176.600 0.097 0.000 1.157 100 E CA -0.365 56.090 56.400 0.092 0.000 0.795 100 E CB 1.465 31.202 29.700 0.062 0.000 1.454 100 E HN 0.451 nan 8.360 nan 0.000 0.386 101 D N -0.040 120.436 120.400 0.125 0.000 2.232 101 D HA 0.227 4.867 4.640 -0.000 0.000 0.242 101 D C 0.794 177.160 176.300 0.112 0.000 1.093 101 D CA -0.031 54.040 54.000 0.118 0.000 0.845 101 D CB 1.267 42.153 40.800 0.143 0.000 1.124 101 D HN -0.040 nan 8.370 nan 0.000 0.467 102 S N 1.308 117.061 115.700 0.089 0.000 2.388 102 S HA -0.058 4.411 4.470 -0.000 0.000 0.223 102 S C 2.021 176.676 174.600 0.093 0.000 1.034 102 S CA -0.015 58.235 58.200 0.084 0.000 0.963 102 S CB 0.065 63.304 63.200 0.065 0.000 0.827 102 S HN 0.395 nan 8.310 nan 0.000 0.481 103 V N 3.966 123.930 119.914 0.082 0.000 2.215 103 V HA -0.172 3.947 4.120 -0.000 0.000 0.249 103 V C 1.531 177.688 176.094 0.104 0.000 1.054 103 V CA 1.615 63.963 62.300 0.079 0.000 1.012 103 V CB -1.051 30.787 31.823 0.024 0.000 0.639 103 V HN 0.665 nan 8.190 nan 0.000 0.448 104 I N -0.344 120.283 120.570 0.095 0.000 3.141 104 I HA 0.214 4.384 4.170 -0.000 0.000 0.295 104 I C 0.148 176.349 176.117 0.139 0.000 1.252 104 I CA 0.888 62.259 61.300 0.118 0.000 1.406 104 I CB 0.334 38.417 38.000 0.138 0.000 1.333 104 I HN 0.331 nan 8.210 nan 0.000 0.594 105 S N 3.960 119.740 115.700 0.133 0.000 2.607 105 S HA 0.560 5.030 4.470 -0.000 0.000 0.273 105 S C -0.082 174.547 174.600 0.049 0.000 1.148 105 S CA -0.955 57.314 58.200 0.115 0.000 0.833 105 S CB 1.671 64.966 63.200 0.159 0.000 1.130 105 S HN 0.738 nan 8.310 nan 0.000 0.470 106 L N 1.759 123.004 121.223 0.037 0.000 2.693 106 L HA 0.428 4.768 4.340 -0.000 0.000 0.235 106 L C 0.156 177.029 176.870 0.004 0.000 1.127 106 L CA 0.027 54.862 54.840 -0.008 0.000 0.914 106 L CB 0.551 42.615 42.059 0.008 0.000 1.193 106 L HN 0.461 nan 8.230 nan 0.000 0.502 107 S N -1.487 114.231 115.700 0.030 0.000 2.705 107 S HA 0.759 5.229 4.470 -0.000 0.000 0.280 107 S C 0.125 174.748 174.600 0.037 0.000 1.174 107 S CA -0.114 58.102 58.200 0.026 0.000 0.823 107 S CB 1.779 64.993 63.200 0.023 0.000 1.162 107 S HN 0.343 nan 8.310 nan 0.000 0.487 108 G N 1.578 110.392 108.800 0.023 0.000 2.591 108 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.278 108 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.278 108 G C -0.057 174.864 174.900 0.034 0.000 1.293 108 G CA 0.560 45.669 45.100 0.015 0.000 0.930 108 G HN 0.764 nan 8.290 nan 0.000 0.562 109 D N -0.004 120.392 120.400 -0.006 0.000 2.357 109 D HA -0.073 4.567 4.640 -0.000 0.000 0.216 109 D C 1.314 177.727 176.300 0.188 0.000 0.973 109 D CA 1.670 55.675 54.000 0.009 0.000 0.912 109 D CB -0.187 40.533 40.800 -0.132 0.000 0.900 109 D HN 0.684 nan 8.370 nan 0.000 0.501 110 H N -0.953 118.174 119.070 0.094 0.000 2.587 110 H HA 0.237 4.793 4.556 -0.001 0.000 0.245 110 H C -0.314 175.107 175.328 0.155 0.000 1.238 110 H CA -0.840 55.307 56.048 0.165 0.000 0.963 110 H CB 0.357 30.184 29.762 0.109 0.000 1.904 110 H HN -0.018 nan 8.280 nan 0.000 0.584 111 C N 2.097 121.510 119.300 0.188 0.000 2.648 111 C HA 0.074 4.534 4.460 -0.000 0.000 0.419 111 C C 2.088 177.005 174.990 -0.122 0.000 1.352 111 C CA -0.162 58.873 59.018 0.029 0.000 1.816 111 C CB -1.198 26.538 27.740 -0.007 0.000 2.598 111 C HN 0.762 nan 8.230 nan 0.000 0.598 112 I N 4.605 125.061 120.570 -0.190 0.000 3.783 112 I HA 0.267 4.437 4.170 -0.000 0.000 0.310 112 I C 0.509 176.412 176.117 -0.356 0.000 1.274 112 I CA 0.011 61.093 61.300 -0.364 0.000 1.294 112 I CB -0.371 37.425 38.000 -0.340 0.000 1.051 112 I HN 0.350 nan 8.210 nan 0.000 0.435 113 I N 3.988 124.402 120.570 -0.260 0.000 2.741 113 I HA 0.066 4.236 4.170 -0.000 0.000 0.288 113 I C 1.472 177.482 176.117 -0.178 0.000 1.192 113 I CA 1.487 62.664 61.300 -0.206 0.000 1.426 113 I CB -0.375 37.546 38.000 -0.132 0.000 1.367 113 I HN 0.642 nan 8.210 nan 0.000 0.563 114 G N 6.113 114.822 108.800 -0.153 0.000 2.157 114 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.239 114 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.239 114 G C 0.436 175.264 174.900 -0.120 0.000 0.982 114 G CA -0.268 44.767 45.100 -0.109 0.000 0.650 114 G HN 0.595 nan 8.290 nan 0.000 0.527 115 R N -0.707 119.682 120.500 -0.185 0.000 2.943 115 R HA 0.744 5.084 4.340 -0.000 0.000 0.246 115 R C -0.606 175.614 176.300 -0.133 0.000 1.201 115 R CA -0.478 55.506 56.100 -0.192 0.000 1.056 115 R CB 0.978 31.052 30.300 -0.376 0.000 1.243 115 R HN 0.109 nan 8.270 nan 0.000 0.498 116 T N 1.542 116.043 114.554 -0.088 0.000 2.823 116 T HA 0.340 4.690 4.350 -0.000 0.000 0.279 116 T C -0.972 173.708 174.700 -0.034 0.000 0.998 116 T CA -0.611 61.460 62.100 -0.049 0.000 0.994 116 T CB 1.228 70.080 68.868 -0.026 0.000 0.960 116 T HN 0.149 nan 8.240 nan 0.000 0.448 117 L N 4.567 125.760 121.223 -0.049 0.000 2.307 117 L HA 0.738 5.078 4.340 -0.000 0.000 0.282 117 L C -1.010 175.800 176.870 -0.100 0.000 1.051 117 L CA -0.251 54.539 54.840 -0.083 0.000 0.804 117 L CB 0.971 43.012 42.059 -0.029 0.000 1.197 117 L HN 0.446 nan 8.230 nan 0.000 0.431 118 V N 5.287 125.124 119.914 -0.128 0.000 2.789 118 V HA 0.536 4.655 4.120 -0.000 0.000 0.311 118 V C -0.826 175.196 176.094 -0.119 0.000 1.073 118 V CA -0.804 61.409 62.300 -0.145 0.000 0.921 118 V CB 2.058 33.749 31.823 -0.221 0.000 1.009 118 V HN 0.567 nan 8.190 nan 0.000 0.426 119 V N 4.531 124.391 119.914 -0.089 0.000 2.448 119 V HA 0.574 4.694 4.120 -0.000 0.000 0.295 119 V C -0.353 175.690 176.094 -0.084 0.000 1.025 119 V CA -0.191 62.144 62.300 0.059 0.000 0.859 119 V CB 1.251 33.145 31.823 0.119 0.000 0.988 119 V HN 0.926 nan 8.190 nan 0.000 0.431 120 H N 3.717 122.841 119.070 0.090 0.000 2.517 120 H HA 0.320 4.876 4.556 -0.000 0.000 0.346 120 H C 0.326 175.777 175.328 0.205 0.000 1.222 120 H CA -0.302 55.823 56.048 0.127 0.000 1.314 120 H CB 2.000 31.855 29.762 0.156 0.000 1.609 120 H HN 0.755 nan 8.280 nan 0.000 0.571 121 E N 0.744 121.130 120.200 0.309 0.000 2.230 121 E HA -0.018 4.332 4.350 -0.000 0.000 0.192 121 E C -0.282 176.483 176.600 0.275 0.000 0.987 121 E CA 0.990 57.577 56.400 0.312 0.000 0.841 121 E CB 0.334 30.142 29.700 0.179 0.000 0.783 121 E HN 0.231 nan 8.360 nan 0.000 0.481 122 K N -0.633 119.890 120.400 0.204 0.000 2.306 122 K HA 0.716 5.036 4.320 -0.000 0.000 0.236 122 K C -0.460 176.178 176.600 0.063 0.000 1.013 122 K CA -0.449 55.883 56.287 0.076 0.000 0.857 122 K CB 1.494 34.033 32.500 0.066 0.000 1.214 122 K HN 0.072 nan 8.250 nan 0.000 0.449 123 A N 0.282 123.102 122.820 -0.000 0.000 2.275 123 A HA 0.167 4.487 4.320 -0.000 0.000 0.276 123 A C -0.569 177.045 177.584 0.051 0.000 1.232 123 A CA 0.614 52.658 52.037 0.012 0.000 0.814 123 A CB -0.120 18.873 19.000 -0.012 0.000 1.145 123 A HN 0.678 nan 8.150 nan 0.000 0.508 124 D N -0.961 119.477 120.400 0.063 0.000 2.363 124 D HA 0.374 5.013 4.640 -0.000 0.000 0.258 124 D C -0.477 175.863 176.300 0.068 0.000 1.259 124 D CA -0.368 53.689 54.000 0.094 0.000 0.921 124 D CB 0.084 40.995 40.800 0.185 0.000 1.201 124 D HN 0.569 nan 8.370 nan 0.000 0.524 141 G N -0.597 108.264 108.800 0.102 0.000 2.663 141 G HA2 0.365 4.325 3.960 -0.000 0.000 0.686 141 G HA3 0.365 4.325 3.960 -0.000 0.000 0.686 141 G C -0.085 175.009 174.900 0.323 0.000 1.288 141 G CA 0.416 45.628 45.100 0.188 0.000 0.836 141 G HN 1.754 nan 8.290 nan 0.000 0.584 142 S N -0.737 115.113 115.700 0.250 0.000 2.603 142 S HA 0.582 5.052 4.470 -0.000 0.000 0.268 142 S C 0.938 175.623 174.600 0.141 0.000 1.317 142 S CA -0.215 58.102 58.200 0.194 0.000 1.012 142 S CB 0.368 63.631 63.200 0.106 0.000 0.926 142 S HN 0.657 nan 8.310 nan 0.000 0.539 143 R N 3.399 123.895 120.500 -0.007 0.000 2.267 143 R HA 0.292 4.632 4.340 -0.000 0.000 0.319 143 R C 0.517 176.736 176.300 -0.134 0.000 1.067 143 R CA -0.177 55.780 56.100 -0.239 0.000 0.936 143 R CB 0.418 30.581 30.300 -0.229 0.000 1.006 143 R HN 0.646 nan 8.270 nan 0.000 0.452 144 L N 1.442 122.577 121.223 -0.147 0.000 2.286 144 L HA 0.337 4.677 4.340 -0.000 0.000 0.203 144 L C 0.714 177.530 176.870 -0.091 0.000 1.068 144 L CA 0.293 55.082 54.840 -0.086 0.000 0.811 144 L CB 0.242 42.258 42.059 -0.072 0.000 0.989 144 L HN 0.640 nan 8.230 nan 0.000 0.467 145 A N -0.801 121.952 122.820 -0.112 0.000 2.612 145 A HA 0.675 4.994 4.320 -0.000 0.000 0.293 145 A C -1.316 176.209 177.584 -0.099 0.000 1.075 145 A CA -0.452 51.534 52.037 -0.086 0.000 0.680 145 A CB 1.377 20.341 19.000 -0.061 0.000 1.279 145 A HN 0.266 nan 8.150 nan 0.000 0.411 146 c N -1.302 117.252 118.600 -0.077 0.000 3.275 146 c HA 1.020 5.590 4.570 -0.000 0.000 0.340 146 c C -0.036 174.026 174.090 -0.048 0.000 1.366 146 c CA -0.060 56.223 56.329 -0.077 0.000 1.227 146 c CB 1.151 43.591 42.510 -0.117 0.000 1.512 146 c HN 2.583 nan 8.230 nan 0.000 0.461 147 G N -0.099 108.678 108.800 -0.038 0.000 2.632 147 G HA2 0.633 4.593 3.960 -0.000 0.000 0.292 147 G HA3 0.633 4.593 3.960 -0.000 0.000 0.292 147 G C -1.607 173.278 174.900 -0.025 0.000 1.465 147 G CA -0.445 44.640 45.100 -0.024 0.000 0.824 147 G HN 1.416 nan 8.290 nan 0.000 0.509 148 V N 1.368 121.267 119.914 -0.025 0.000 2.583 148 V HA 0.282 4.402 4.120 -0.000 0.000 0.287 148 V C 0.646 176.714 176.094 -0.043 0.000 1.051 148 V CA -0.312 61.966 62.300 -0.037 0.000 1.010 148 V CB 1.238 33.043 31.823 -0.030 0.000 0.988 148 V HN 0.536 nan 8.190 nan 0.000 0.478 149 I N 4.566 125.086 120.570 -0.083 0.000 2.363 149 I HA 0.386 4.555 4.170 -0.000 0.000 0.292 149 I C 0.985 177.038 176.117 -0.107 0.000 1.075 149 I CA 0.522 61.751 61.300 -0.118 0.000 1.333 149 I CB 0.526 38.363 38.000 -0.272 0.000 1.415 149 I HN 0.757 nan 8.210 nan 0.000 0.502 150 G N 6.639 115.401 108.800 -0.062 0.000 2.489 150 G HA2 0.663 4.623 3.960 -0.000 0.000 0.327 150 G HA3 0.663 4.623 3.960 -0.000 0.000 0.327 150 G C -0.379 174.498 174.900 -0.039 0.000 1.189 150 G CA -0.821 44.249 45.100 -0.049 0.000 0.962 150 G HN 0.462 nan 8.290 nan 0.000 0.486 151 I N 0.941 121.492 120.570 -0.032 0.000 2.648 151 I HA 0.367 4.537 4.170 -0.000 0.000 0.284 151 I C 0.870 176.988 176.117 0.002 0.000 1.153 151 I CA 0.218 61.509 61.300 -0.016 0.000 1.426 151 I CB 1.094 39.086 38.000 -0.013 0.000 1.381 151 I HN 0.563 nan 8.210 nan 0.000 0.571 152 A N 0.000 122.831 122.820 0.018 0.000 2.254 152 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 152 A CA 0.000 52.054 52.037 0.029 0.000 0.836 152 A CB 0.000 19.021 19.000 0.035 0.000 0.831 152 A HN 0.000 nan 8.150 nan 0.000 0.486