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 3gs7_1_B DATA FIRST_RESID 10 DATA SEQUENCE CPLMVKVLDA VRGSPAINVA VHVFRKAADD TWEPFASGKT SESGELHGLT DATA SEQUENCE TEEEFVEGIY KVEIDTKSYW KALGISPFHE HAEVVFTAND SGPRRYTIAA DATA SEQUENCE LLSPYSYSTT AVVT 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 10 C HA 0.000 nan 4.460 nan 0.000 0.325 10 C C 0.000 174.967 174.990 -0.039 0.000 1.270 10 C CA 0.000 58.989 59.018 -0.049 0.000 1.963 10 C CB 0.000 27.684 27.740 -0.093 0.000 2.134 11 P HA 0.156 nan 4.420 nan 0.000 0.245 11 P C -0.062 177.181 177.300 -0.094 0.000 1.203 11 P CA 0.374 63.491 63.100 0.028 0.000 0.792 11 P CB 0.542 32.353 31.700 0.185 0.000 0.997 12 L N 0.479 121.540 121.223 -0.270 0.000 2.406 12 L HA 0.496 4.837 4.340 0.001 0.000 0.270 12 L C -0.939 175.857 176.870 -0.124 0.000 0.982 12 L CA -0.787 53.879 54.840 -0.289 0.000 0.843 12 L CB 1.475 43.141 42.059 -0.656 0.000 1.225 12 L HN -0.238 nan 8.230 nan 0.000 0.412 13 M N 4.507 124.085 119.600 -0.036 0.000 2.602 13 M HA 0.747 5.228 4.480 0.001 0.000 0.312 13 M C -1.127 175.178 176.300 0.008 0.000 1.181 13 M CA -0.983 54.342 55.300 0.041 0.000 0.910 13 M CB 2.474 35.140 32.600 0.109 0.000 1.723 13 M HN 0.244 nan 8.290 nan 0.000 0.459 14 V N 1.525 121.440 119.914 0.001 0.000 2.709 14 V HA 0.613 4.733 4.120 0.001 0.000 0.308 14 V C -0.962 175.098 176.094 -0.056 0.000 1.062 14 V CA -0.739 61.537 62.300 -0.041 0.000 0.901 14 V CB 2.323 34.107 31.823 -0.065 0.000 1.003 14 V HN 0.813 nan 8.190 nan 0.000 0.425 15 K N 3.201 123.570 120.400 -0.052 0.000 2.443 15 K HA 0.813 5.134 4.320 0.001 0.000 0.252 15 K C -1.938 174.617 176.600 -0.075 0.000 0.933 15 K CA -0.449 55.801 56.287 -0.062 0.000 0.792 15 K CB 2.224 34.711 32.500 -0.023 0.000 1.185 15 K HN 0.441 nan 8.250 nan 0.000 0.425 16 V N 5.404 125.252 119.914 -0.110 0.000 2.531 16 V HA 0.506 4.626 4.120 0.001 0.000 0.301 16 V C -0.648 175.362 176.094 -0.141 0.000 1.034 16 V CA -0.840 61.375 62.300 -0.142 0.000 0.865 16 V CB 1.328 33.017 31.823 -0.223 0.000 0.995 16 V HN 0.713 nan 8.190 nan 0.000 0.424 17 L N 3.031 124.196 121.223 -0.097 0.000 2.341 17 L HA 0.667 5.007 4.340 0.001 0.000 0.267 17 L C -0.799 176.048 176.870 -0.038 0.000 1.009 17 L CA -0.568 54.239 54.840 -0.054 0.000 0.819 17 L CB 2.361 44.420 42.059 0.000 0.000 1.323 17 L HN 0.582 nan 8.230 nan 0.000 0.425 18 D N 0.991 121.398 120.400 0.011 0.000 2.349 18 D HA 0.377 5.017 4.640 0.001 0.000 0.232 18 D C 0.269 176.684 176.300 0.192 0.000 1.071 18 D CA -0.307 53.763 54.000 0.117 0.000 0.832 18 D CB 2.312 43.191 40.800 0.132 0.000 1.086 18 D HN 0.611 nan 8.370 nan 0.000 0.504 19 A N 3.323 126.301 122.820 0.263 0.000 2.169 19 A HA 0.051 4.371 4.320 0.001 0.000 0.212 19 A C 1.867 179.581 177.584 0.215 0.000 1.153 19 A CA 0.412 52.573 52.037 0.206 0.000 0.756 19 A CB 0.156 19.270 19.000 0.189 0.000 0.813 19 A HN 0.479 nan 8.150 nan 0.000 0.471 20 V N 0.019 120.128 119.914 0.325 0.000 2.446 20 V HA -0.114 4.007 4.120 0.001 0.000 0.244 20 V C 2.324 178.543 176.094 0.207 0.000 1.039 20 V CA 1.682 64.140 62.300 0.263 0.000 1.045 20 V CB -0.624 31.396 31.823 0.329 0.000 0.681 20 V HN 0.520 nan 8.190 nan 0.000 0.459 21 R N 0.375 121.009 120.500 0.224 0.000 2.280 21 R HA 0.272 4.612 4.340 0.001 0.000 0.195 21 R C 1.401 177.766 176.300 0.108 0.000 0.935 21 R CA 0.682 56.872 56.100 0.149 0.000 1.033 21 R CB 0.150 30.534 30.300 0.139 0.000 0.964 21 R HN 0.533 nan 8.270 nan 0.000 0.489 22 G N 2.434 111.301 108.800 0.112 0.000 2.324 22 G HA2 -0.278 3.683 3.960 0.001 0.000 0.292 22 G HA3 -0.278 3.683 3.960 0.001 0.000 0.292 22 G C -0.138 174.798 174.900 0.061 0.000 1.079 22 G CA 0.576 45.723 45.100 0.078 0.000 1.026 22 G HN 0.493 nan 8.290 nan 0.000 0.506 23 S N -1.333 114.405 115.700 0.063 0.000 2.588 23 S HA 0.875 5.345 4.470 0.001 0.000 0.269 23 S C -3.014 171.601 174.600 0.025 0.000 1.157 23 S CA -0.954 57.272 58.200 0.044 0.000 0.824 23 S CB 3.060 66.291 63.200 0.051 0.000 1.126 23 S HN 0.293 nan 8.310 nan 0.000 0.464 24 P HA 0.327 nan 4.420 nan 0.000 0.269 24 P C -0.737 176.533 177.300 -0.049 0.000 1.215 24 P CA -0.097 62.982 63.100 -0.035 0.000 0.780 24 P CB 0.266 31.943 31.700 -0.038 0.000 0.898 25 A N 3.993 126.718 122.820 -0.159 0.000 2.316 25 A HA 0.436 4.756 4.320 0.001 0.000 0.311 25 A C 0.354 177.813 177.584 -0.209 0.000 1.339 25 A CA -0.601 51.239 52.037 -0.328 0.000 0.960 25 A CB -0.834 17.680 19.000 -0.810 0.000 1.152 25 A HN 0.433 nan 8.150 nan 0.000 0.547 26 I N 1.747 122.322 120.570 0.008 0.000 2.428 26 I HA 0.229 4.400 4.170 0.001 0.000 0.296 26 I C 0.678 176.819 176.117 0.040 0.000 0.985 26 I CA -0.409 60.893 61.300 0.004 0.000 1.260 26 I CB 0.971 38.983 38.000 0.021 0.000 1.389 26 I HN 0.846 nan 8.210 nan 0.000 0.484 27 N N 2.220 120.907 118.700 -0.021 0.000 2.747 27 N HA -0.141 4.599 4.740 0.001 0.000 0.249 27 N C -0.860 174.645 175.510 -0.007 0.000 1.107 27 N CA 0.248 53.289 53.050 -0.015 0.000 0.707 27 N CB -0.597 37.893 38.487 0.005 0.000 1.054 27 N HN 0.295 nan 8.380 nan 0.000 0.555 28 V N 0.419 120.292 119.914 -0.067 0.000 2.498 28 V HA 0.637 4.758 4.120 0.001 0.000 0.279 28 V C 0.931 176.974 176.094 -0.085 0.000 1.048 28 V CA -0.276 61.967 62.300 -0.094 0.000 0.967 28 V CB 1.423 33.090 31.823 -0.260 0.000 0.988 28 V HN 0.324 nan 8.190 nan 0.000 0.473 29 A N 5.084 127.881 122.820 -0.039 0.000 2.363 29 A HA 0.685 5.006 4.320 0.001 0.000 0.270 29 A C -0.484 177.078 177.584 -0.036 0.000 1.121 29 A CA -0.297 51.719 52.037 -0.035 0.000 0.800 29 A CB 0.658 19.690 19.000 0.054 0.000 1.052 29 A HN 0.704 nan 8.150 nan 0.000 0.493 30 V N 3.759 123.599 119.914 -0.123 0.000 2.577 30 V HA 0.345 4.466 4.120 0.001 0.000 0.303 30 V C -1.082 174.869 176.094 -0.238 0.000 1.042 30 V CA -0.474 61.762 62.300 -0.108 0.000 0.872 30 V CB 1.600 33.348 31.823 -0.125 0.000 0.998 30 V HN 0.994 nan 8.190 nan 0.000 0.423 31 H N 2.206 121.197 119.070 -0.132 0.000 2.505 31 H HA 0.687 5.244 4.556 0.002 0.000 0.338 31 H C -0.510 174.622 175.328 -0.326 0.000 1.057 31 H CA -0.442 55.445 56.048 -0.269 0.000 1.202 31 H CB 1.993 31.587 29.762 -0.281 0.000 1.466 31 H HN 0.452 nan 8.280 nan 0.000 0.499 32 V N 4.682 124.435 119.914 -0.268 0.000 2.472 32 V HA 0.385 4.506 4.120 0.001 0.000 0.290 32 V C -0.531 175.398 176.094 -0.276 0.000 1.037 32 V CA -0.572 61.679 62.300 -0.081 0.000 0.908 32 V CB 0.639 32.571 31.823 0.180 0.000 0.985 32 V HN 0.542 nan 8.190 nan 0.000 0.454 33 F N 2.625 122.683 119.950 0.179 0.000 2.577 33 F HA 0.693 5.221 4.527 0.001 0.000 0.318 33 F C 0.166 176.094 175.800 0.213 0.000 1.065 33 F CA -0.781 57.348 58.000 0.214 0.000 0.929 33 F CB 1.950 41.010 39.000 0.100 0.000 1.237 33 F HN 0.282 nan 8.300 nan 0.000 0.468 34 R N 1.758 122.463 120.500 0.343 0.000 2.637 34 R HA 0.399 4.740 4.340 0.001 0.000 0.291 34 R C -0.845 175.473 176.300 0.030 0.000 0.963 34 R CA -0.898 55.127 56.100 -0.124 0.000 0.901 34 R CB 1.656 31.674 30.300 -0.470 0.000 1.160 34 R HN 0.679 nan 8.270 nan 0.000 0.457 35 K N 1.885 122.123 120.400 -0.269 0.000 2.249 35 K HA 0.318 4.638 4.320 0.001 0.000 0.280 35 K C -0.678 175.706 176.600 -0.361 0.000 1.033 35 K CA -0.137 55.800 56.287 -0.583 0.000 0.946 35 K CB 1.322 33.292 32.500 -0.884 0.000 1.005 35 K HN 0.657 nan 8.250 nan 0.000 0.469 36 A N 2.421 125.057 122.820 -0.306 0.000 2.248 36 A HA 0.534 4.854 4.320 0.001 0.000 0.316 36 A C 0.967 178.437 177.584 -0.189 0.000 1.101 36 A CA 0.161 52.084 52.037 -0.188 0.000 0.875 36 A CB 0.753 19.685 19.000 -0.114 0.000 1.207 36 A HN 0.862 nan 8.150 nan 0.000 0.504 37 A N -0.889 121.854 122.820 -0.129 0.000 1.986 37 A HA 0.016 4.336 4.320 0.001 0.000 0.220 37 A C 1.681 179.197 177.584 -0.114 0.000 1.171 37 A CA 2.849 54.820 52.037 -0.109 0.000 0.640 37 A CB -1.581 nan 19.000 nan 0.000 0.811 37 A HN 1.091 nan 8.150 nan 0.000 0.451 38 D N -2.015 118.313 120.400 -0.120 0.000 2.196 38 D HA 0.198 4.839 4.640 0.001 0.000 0.228 38 D C 1.396 177.597 176.300 -0.165 0.000 1.028 38 D CA 1.242 55.172 54.000 -0.117 0.000 0.924 38 D CB -0.193 nan 40.800 nan 0.000 1.025 38 D HN 0.267 nan 8.370 nan 0.000 0.438 39 D N -2.485 117.785 120.400 -0.216 0.000 2.289 39 D HA 0.063 4.703 4.640 0.001 0.000 0.586 39 D C 0.174 176.202 176.300 -0.454 0.000 0.915 39 D CA 0.831 54.632 54.000 -0.332 0.000 1.135 39 D CB -0.059 40.586 40.800 -0.258 0.000 1.488 39 D HN 0.553 nan 8.370 nan 0.000 0.398 40 T N -1.054 113.331 114.554 -0.282 0.000 2.939 40 T HA 0.002 4.352 4.350 0.001 0.000 0.312 40 T C 0.317 174.852 174.700 -0.274 0.000 1.064 40 T CA 0.087 62.059 62.100 -0.213 0.000 1.136 40 T CB 0.384 69.202 68.868 -0.084 0.000 1.035 40 T HN 0.063 nan 8.240 nan 0.000 0.538 41 W N 2.342 123.595 121.300 -0.078 0.000 2.338 41 W HA 0.419 5.079 4.660 -0.001 0.000 0.307 41 W C 0.741 177.282 176.519 0.036 0.000 1.167 41 W CA -0.787 56.515 57.345 -0.071 0.000 1.208 41 W CB 0.771 30.082 29.460 -0.248 0.000 1.228 41 W HN 0.863 nan 8.180 nan 0.000 0.499 42 E N 4.710 125.171 120.200 0.436 0.000 2.238 42 E HA 0.497 4.848 4.350 0.001 0.000 0.267 42 E C -2.606 174.319 176.600 0.541 0.000 0.887 42 E CA -2.623 54.021 56.400 0.407 0.000 0.769 42 E CB 2.128 31.958 29.700 0.217 0.000 1.187 42 E HN -0.011 nan 8.360 nan 0.000 0.416 43 P HA -0.002 nan 4.420 nan 0.000 0.268 43 P C -0.894 176.526 177.300 0.199 0.000 1.205 43 P CA -0.006 63.195 63.100 0.168 0.000 0.771 43 P CB 0.500 32.267 31.700 0.111 0.000 0.858 44 F N 1.773 121.689 119.950 -0.055 0.000 2.671 44 F HA 0.562 5.089 4.527 0.000 0.000 0.303 44 F C -0.352 175.440 175.800 -0.013 0.000 0.935 44 F CA 0.410 58.431 58.000 0.036 0.000 1.136 44 F CB 0.621 39.721 39.000 0.167 0.000 0.929 44 F HN 0.486 nan 8.300 nan 0.000 0.659 45 A N 0.080 122.826 122.820 -0.123 0.000 2.599 45 A HA 0.687 5.007 4.320 0.001 0.000 0.294 45 A C -1.013 176.438 177.584 -0.221 0.000 1.055 45 A CA 0.123 52.027 52.037 -0.221 0.000 0.683 45 A CB 0.675 19.568 19.000 -0.178 0.000 1.278 45 A HN 0.708 nan 8.150 nan 0.000 0.412 46 S N -0.528 115.020 115.700 -0.253 0.000 2.615 46 S HA 0.965 5.436 4.470 0.001 0.000 0.268 46 S C -0.262 174.166 174.600 -0.286 0.000 1.146 46 S CA 0.163 58.147 58.200 -0.361 0.000 0.818 46 S CB 0.903 63.734 63.200 -0.615 0.000 1.111 46 S HN 2.791 nan 8.310 nan 0.000 0.465 47 G N 0.183 108.797 108.800 -0.310 0.000 2.320 47 G HA2 0.527 4.488 3.960 0.001 0.000 0.296 47 G HA3 0.527 4.488 3.960 0.001 0.000 0.296 47 G C -2.392 172.397 174.900 -0.185 0.000 1.306 47 G CA -0.882 44.094 45.100 -0.208 0.000 0.836 47 G HN 0.725 nan 8.290 nan 0.000 0.517 48 K N 0.153 120.468 120.400 -0.141 0.000 2.375 48 K HA 0.652 4.973 4.320 0.001 0.000 0.249 48 K C 0.136 176.661 176.600 -0.126 0.000 0.942 48 K CA -0.631 55.585 56.287 -0.117 0.000 0.806 48 K CB 2.016 34.466 32.500 -0.085 0.000 1.227 48 K HN 0.805 nan 8.250 nan 0.000 0.430 49 T N -0.625 113.852 114.554 -0.129 0.000 2.926 49 T HA 0.089 4.440 4.350 0.001 0.000 0.307 49 T C 0.780 175.407 174.700 -0.123 0.000 1.059 49 T CA -0.731 61.281 62.100 -0.147 0.000 1.122 49 T CB 0.900 69.670 68.868 -0.163 0.000 0.972 49 T HN 0.577 nan 8.240 nan 0.000 0.545 50 S N 1.857 117.472 115.700 -0.142 0.000 2.633 50 S HA 0.155 4.626 4.470 0.001 0.000 0.257 50 S C 1.194 175.746 174.600 -0.080 0.000 1.265 50 S CA -0.762 57.372 58.200 -0.109 0.000 0.980 50 S CB 0.287 63.409 63.200 -0.129 0.000 1.017 50 S HN 0.724 nan 8.310 nan 0.000 0.577 51 E N 0.798 120.963 120.200 -0.057 0.000 2.265 51 E HA -0.093 4.258 4.350 0.001 0.000 0.196 51 E C 2.079 178.654 176.600 -0.040 0.000 0.996 51 E CA 1.423 57.800 56.400 -0.038 0.000 0.832 51 E CB -0.622 29.063 29.700 -0.026 0.000 0.756 51 E HN 0.778 nan 8.360 nan 0.000 0.491 52 S N -0.961 114.706 115.700 -0.055 0.000 2.593 52 S HA 0.220 4.690 4.470 0.001 0.000 0.217 52 S C 1.489 176.047 174.600 -0.071 0.000 0.966 52 S CA 0.554 58.724 58.200 -0.049 0.000 0.914 52 S CB 0.245 63.423 63.200 -0.038 0.000 0.776 52 S HN 0.263 nan 8.310 nan 0.000 0.523 53 G N 0.421 109.162 108.800 -0.097 0.000 2.147 53 G HA2 -0.220 3.741 3.960 0.001 0.000 0.244 53 G HA3 -0.220 3.741 3.960 0.001 0.000 0.244 53 G C -0.320 174.488 174.900 -0.153 0.000 1.005 53 G CA 0.219 45.245 45.100 -0.123 0.000 0.713 53 G HN 0.618 nan 8.290 nan 0.000 0.515 54 E N -1.157 118.921 120.200 -0.203 0.000 2.244 54 E HA 0.717 5.068 4.350 0.001 0.000 0.266 54 E C -0.887 175.460 176.600 -0.422 0.000 0.914 54 E CA -1.103 55.102 56.400 -0.324 0.000 0.794 54 E CB 2.175 31.605 29.700 -0.451 0.000 1.210 54 E HN 0.206 nan 8.360 nan 0.000 0.414 55 L N 2.689 123.656 121.223 -0.426 0.000 2.415 55 L HA 0.357 4.698 4.340 0.001 0.000 0.268 55 L C -1.626 175.107 176.870 -0.228 0.000 0.984 55 L CA -0.111 54.544 54.840 -0.308 0.000 0.853 55 L CB 0.695 42.645 42.059 -0.182 0.000 1.215 55 L HN 0.606 nan 8.230 nan 0.000 0.419 56 H N 2.715 121.739 119.070 -0.076 0.000 2.651 56 H HA 0.697 5.253 4.556 0.001 0.000 0.353 56 H C 0.782 176.062 175.328 -0.079 0.000 1.178 56 H CA -0.707 55.297 56.048 -0.074 0.000 1.224 56 H CB 1.889 31.615 29.762 -0.059 0.000 1.702 56 H HN 0.775 nan 8.280 nan 0.000 0.550 57 G N 0.763 109.596 108.800 0.056 0.000 2.147 57 G HA2 -0.284 3.677 3.960 0.001 0.000 0.244 57 G HA3 -0.284 3.677 3.960 0.001 0.000 0.244 57 G C 0.841 175.704 174.900 -0.061 0.000 1.005 57 G CA 0.485 45.577 45.100 -0.015 0.000 0.713 57 G HN 0.536 nan 8.290 nan 0.000 0.515 58 L N -0.196 120.983 121.223 -0.073 0.000 2.046 58 L HA 0.055 4.395 4.340 0.001 0.000 0.208 58 L C 1.828 178.607 176.870 -0.152 0.000 1.077 58 L CA 2.119 56.890 54.840 -0.116 0.000 0.747 58 L CB -0.433 41.564 42.059 -0.103 0.000 0.896 58 L HN 0.585 nan 8.230 nan 0.000 0.432 59 T N -3.747 110.733 114.554 -0.123 0.000 2.696 59 T HA 0.500 4.850 4.350 0.001 0.000 0.291 59 T C -0.364 174.312 174.700 -0.041 0.000 1.095 59 T CA -0.508 61.531 62.100 -0.102 0.000 1.026 59 T CB 1.848 70.715 68.868 -0.002 0.000 1.390 59 T HN 0.084 nan 8.240 nan 0.000 0.513 60 T N -1.757 112.809 114.554 0.021 0.000 2.930 60 T HA 0.530 4.880 4.350 0.001 0.000 0.290 60 T C 0.684 175.469 174.700 0.141 0.000 1.052 60 T CA -0.766 61.365 62.100 0.053 0.000 1.017 60 T CB 1.933 70.823 68.868 0.037 0.000 1.137 60 T HN 0.401 nan 8.240 nan 0.000 0.511 61 E N 0.871 121.151 120.200 0.135 0.000 2.118 61 E HA -0.138 4.212 4.350 0.001 0.000 0.195 61 E C 2.593 179.303 176.600 0.183 0.000 0.992 61 E CA 2.012 58.524 56.400 0.186 0.000 0.804 61 E CB -0.719 29.061 29.700 0.134 0.000 0.741 61 E HN 0.954 nan 8.360 nan 0.000 0.458 62 E N 1.152 121.431 120.200 0.131 0.000 2.085 62 E HA -0.238 4.113 4.350 0.001 0.000 0.194 62 E C 1.789 178.483 176.600 0.156 0.000 0.994 62 E CA 1.723 58.193 56.400 0.116 0.000 0.801 62 E CB -0.620 nan 29.700 nan 0.000 0.743 62 E HN 0.471 nan 8.360 nan 0.000 0.453 63 E N -1.994 118.329 120.200 0.205 0.000 2.250 63 E HA 0.019 4.370 4.350 0.001 0.000 0.192 63 E C -0.009 176.898 176.600 0.511 0.000 0.986 63 E CA -0.170 56.403 56.400 0.288 0.000 0.849 63 E CB 0.032 29.841 29.700 0.182 0.000 0.797 63 E HN 0.436 nan 8.360 nan 0.000 0.482 64 F N 3.469 123.589 119.950 0.285 0.000 2.541 64 F HA 0.176 4.703 4.527 0.000 0.000 0.351 64 F C -0.045 175.848 175.800 0.156 0.000 1.209 64 F CA -1.093 57.062 58.000 0.257 0.000 1.277 64 F CB -0.042 39.055 39.000 0.161 0.000 1.632 64 F HN -0.212 nan 8.300 nan 0.000 0.619 65 V N 1.286 121.206 119.914 0.010 0.000 3.170 65 V HA 0.431 4.551 4.120 0.001 0.000 0.309 65 V C 0.393 176.374 176.094 -0.188 0.000 1.071 65 V CA -1.087 61.171 62.300 -0.070 0.000 1.063 65 V CB 0.756 32.589 31.823 0.017 0.000 1.123 65 V HN 0.512 nan 8.190 nan 0.000 0.464 66 E N 0.912 121.036 120.200 -0.126 0.000 2.604 66 E HA 0.409 4.759 4.350 0.001 0.000 0.267 66 E C 0.359 176.892 176.600 -0.112 0.000 0.970 66 E CA 1.345 57.682 56.400 -0.106 0.000 0.956 66 E CB 0.171 29.836 29.700 -0.058 0.000 0.939 66 E HN 1.269 nan 8.360 nan 0.000 0.465 67 G N 1.345 110.074 108.800 -0.119 0.000 2.320 67 G HA2 0.238 4.198 3.960 0.001 0.000 0.297 67 G HA3 0.238 4.198 3.960 0.001 0.000 0.297 67 G C -1.328 173.391 174.900 -0.301 0.000 1.344 67 G CA -1.111 43.824 45.100 -0.276 0.000 0.851 67 G HN 0.384 nan 8.290 nan 0.000 0.567 68 I N 0.513 120.848 120.570 -0.392 0.000 2.353 68 I HA 0.508 4.678 4.170 0.001 0.000 0.293 68 I C -0.779 175.094 176.117 -0.407 0.000 0.992 68 I CA -0.621 60.510 61.300 -0.282 0.000 1.268 68 I CB 1.233 39.150 38.000 -0.138 0.000 1.387 68 I HN 0.413 nan 8.210 nan 0.000 0.478 69 Y N 4.409 124.513 120.300 -0.326 0.000 2.499 69 Y HA 0.493 5.044 4.550 0.001 0.000 0.347 69 Y C -0.179 175.582 175.900 -0.231 0.000 0.987 69 Y CA -0.944 56.974 58.100 -0.304 0.000 1.044 69 Y CB 1.981 40.043 38.460 -0.663 0.000 1.245 69 Y HN 0.386 nan 8.280 nan 0.000 0.461 70 K N 1.812 122.195 120.400 -0.029 0.000 2.413 70 K HA 0.721 5.041 4.320 0.001 0.000 0.257 70 K C -2.084 174.562 176.600 0.077 0.000 0.946 70 K CA -0.564 55.607 56.287 -0.193 0.000 0.823 70 K CB 1.278 33.203 32.500 -0.958 0.000 1.109 70 K HN 0.520 nan 8.250 nan 0.000 0.427 71 V N 4.720 124.715 119.914 0.135 0.000 2.347 71 V HA 0.254 4.375 4.120 0.001 0.000 0.280 71 V C -0.569 175.544 176.094 0.030 0.000 1.021 71 V CA -0.562 61.809 62.300 0.118 0.000 0.847 71 V CB 0.997 32.912 31.823 0.154 0.000 0.990 71 V HN 0.886 nan 8.190 nan 0.000 0.444 72 E N 6.273 126.484 120.200 0.019 0.000 2.176 72 E HA 0.631 4.982 4.350 0.001 0.000 0.267 72 E C -1.291 175.276 176.600 -0.055 0.000 0.893 72 E CA -0.699 55.644 56.400 -0.094 0.000 0.761 72 E CB 1.765 31.330 29.700 -0.226 0.000 1.133 72 E HN 0.622 nan 8.360 nan 0.000 0.409 73 I N 3.512 124.036 120.570 -0.077 0.000 2.330 73 I HA 0.126 4.297 4.170 0.001 0.000 0.289 73 I C -0.242 175.870 176.117 -0.009 0.000 1.001 73 I CA -0.886 60.374 61.300 -0.066 0.000 1.193 73 I CB 1.419 39.337 38.000 -0.136 0.000 1.345 73 I HN 0.650 nan 8.210 nan 0.000 0.461 74 D N 5.127 125.542 120.400 0.025 0.000 2.600 74 D HA -0.015 4.625 4.640 0.001 0.000 0.226 74 D C 1.476 177.813 176.300 0.061 0.000 1.119 74 D CA 0.005 54.051 54.000 0.076 0.000 1.051 74 D CB 0.490 41.345 40.800 0.092 0.000 1.106 74 D HN 0.669 nan 8.370 nan 0.000 0.491 75 T N -0.499 114.098 114.554 0.071 0.000 2.942 75 T HA -0.119 4.231 4.350 0.001 0.000 0.265 75 T C 1.815 176.665 174.700 0.250 0.000 1.062 75 T CA 0.625 62.782 62.100 0.094 0.000 1.139 75 T CB 0.027 68.995 68.868 0.167 0.000 0.883 75 T HN 0.242 nan 8.240 nan 0.000 0.468 76 K N 1.242 121.779 120.400 0.229 0.000 2.020 76 K HA -0.141 4.179 4.320 0.001 0.000 0.212 76 K C 2.565 179.280 176.600 0.191 0.000 1.050 76 K CA 1.837 58.258 56.287 0.224 0.000 0.929 76 K CB -0.423 32.145 32.500 0.113 0.000 0.714 76 K HN 0.364 nan 8.250 nan 0.000 0.443 77 S N 0.017 115.795 115.700 0.130 0.000 2.382 77 S HA -0.183 4.288 4.470 0.001 0.000 0.228 77 S C 1.600 176.246 174.600 0.077 0.000 1.027 77 S CA 1.319 59.573 58.200 0.091 0.000 0.991 77 S CB -0.523 62.720 63.200 0.073 0.000 0.823 77 S HN 0.421 nan 8.310 nan 0.000 0.469 78 Y N 0.920 121.172 120.300 -0.080 0.000 2.114 78 Y HA -0.243 4.308 4.550 0.000 0.000 0.282 78 Y C 1.862 177.644 175.900 -0.198 0.000 1.165 78 Y CA 1.466 59.438 58.100 -0.213 0.000 1.148 78 Y CB -0.568 37.648 38.460 -0.406 0.000 0.972 78 Y HN 0.289 nan 8.280 nan 0.000 0.504 79 W N 0.107 121.414 121.300 0.011 0.000 2.418 79 W HA -0.056 4.604 4.660 0.000 0.000 0.292 79 W C 2.670 179.130 176.519 -0.099 0.000 1.213 79 W CA 1.703 58.995 57.345 -0.089 0.000 1.283 79 W CB -0.548 28.937 29.460 0.041 0.000 1.119 79 W HN -0.012 nan 8.180 nan 0.000 0.542 80 K N 0.719 121.217 120.400 0.163 0.000 2.032 80 K HA -0.072 4.248 4.320 0.001 0.000 0.209 80 K C 1.891 178.502 176.600 0.018 0.000 1.048 80 K CA 1.921 58.259 56.287 0.085 0.000 0.927 80 K CB -1.585 30.956 32.500 0.069 0.000 0.712 80 K HN 0.220 nan 8.250 nan 0.000 0.441 81 A N 0.620 123.418 122.820 -0.037 0.000 1.978 81 A HA 0.029 4.349 4.320 0.001 0.000 0.220 81 A C 2.240 179.769 177.584 -0.092 0.000 1.170 81 A CA 1.543 53.536 52.037 -0.073 0.000 0.636 81 A CB -0.294 18.644 19.000 -0.103 0.000 0.810 81 A HN 0.454 nan 8.150 nan 0.000 0.448 82 L N -1.160 119.987 121.223 -0.126 0.000 2.591 82 L HA 0.194 4.534 4.340 0.001 0.000 0.228 82 L C 1.568 178.443 176.870 0.009 0.000 1.133 82 L CA 0.392 55.181 54.840 -0.085 0.000 0.880 82 L CB -0.299 41.679 42.059 -0.136 0.000 1.033 82 L HN 0.571 nan 8.230 nan 0.000 0.450 83 G N 0.907 109.722 108.800 0.025 0.000 2.179 83 G HA2 -0.314 3.647 3.960 0.001 0.000 0.257 83 G HA3 -0.314 3.647 3.960 0.001 0.000 0.257 83 G C 0.023 174.960 174.900 0.063 0.000 1.010 83 G CA 0.451 45.575 45.100 0.039 0.000 0.736 83 G HN 0.315 nan 8.290 nan 0.000 0.513 84 I N -0.741 119.896 120.570 0.112 0.000 2.460 84 I HA 0.866 5.036 4.170 0.001 0.000 0.298 84 I C 0.777 176.932 176.117 0.063 0.000 0.989 84 I CA -0.333 61.027 61.300 0.099 0.000 1.173 84 I CB 1.721 nan 38.000 nan 0.000 1.338 84 I HN 0.660 nan 8.210 nan 0.000 0.456 85 S N 6.284 121.978 115.700 -0.009 0.000 2.422 85 S HA 0.627 5.097 4.470 0.001 0.000 0.283 85 S C -2.210 172.296 174.600 -0.156 0.000 1.163 85 S CA -0.944 57.235 58.200 -0.035 0.000 1.054 85 S CB -0.053 63.146 63.200 -0.003 0.000 0.967 85 S HN 0.806 nan 8.310 nan 0.000 0.499 86 P HA 0.341 nan 4.420 nan 0.000 0.285 86 P C 0.117 177.225 177.300 -0.320 0.000 1.280 86 P CA -0.732 62.222 63.100 -0.244 0.000 0.862 86 P CB 0.786 32.519 31.700 0.055 0.000 1.153 87 F N 0.573 120.145 119.950 -0.631 0.000 2.274 87 F HA 0.160 4.688 4.527 0.002 0.000 0.288 87 F C 0.758 176.298 175.800 -0.434 0.000 1.069 87 F CA 0.735 58.291 58.000 -0.738 0.000 1.343 87 F CB -0.528 37.793 39.000 -1.132 0.000 1.089 87 F HN 0.285 nan 8.300 nan 0.000 0.517 88 H N 0.703 119.647 119.070 -0.211 0.000 2.511 88 H HA 0.163 4.719 4.556 0.000 0.000 0.346 88 H C 1.207 176.412 175.328 -0.204 0.000 1.128 88 H CA -0.163 55.750 56.048 -0.226 0.000 1.342 88 H CB 0.808 30.593 29.762 0.038 0.000 1.470 88 H HN 0.056 nan 8.280 nan 0.000 0.546 89 E N 1.747 121.841 120.200 -0.177 0.000 2.051 89 E HA -0.106 4.244 4.350 0.001 0.000 0.192 89 E C 0.455 176.975 176.600 -0.133 0.000 0.991 89 E CA 1.419 57.688 56.400 -0.219 0.000 0.799 89 E CB 0.059 29.521 29.700 -0.397 0.000 0.748 89 E HN 0.766 nan 8.360 nan 0.000 0.449 90 H N -3.057 116.025 119.070 0.021 0.000 2.918 90 H HA 0.688 5.244 4.556 0.000 0.000 0.303 90 H C -1.159 174.068 175.328 -0.168 0.000 1.380 90 H CA -0.846 55.177 56.048 -0.041 0.000 1.134 90 H CB 1.015 30.749 29.762 -0.047 0.000 1.842 90 H HN 0.001 nan 8.280 nan 0.000 0.533 91 A N 0.764 123.504 122.820 -0.134 0.000 2.312 91 A HA 0.479 4.799 4.320 0.001 0.000 0.326 91 A C -0.455 177.015 177.584 -0.189 0.000 1.172 91 A CA -0.679 50.983 52.037 -0.626 0.000 0.821 91 A CB 0.884 19.180 19.000 -1.172 0.000 1.166 91 A HN 0.606 nan 8.150 nan 0.000 0.493 92 E N 1.356 121.531 120.200 -0.042 0.000 2.246 92 E HA 0.469 4.819 4.350 0.001 0.000 0.266 92 E C -1.580 175.081 176.600 0.101 0.000 0.880 92 E CA -0.660 55.764 56.400 0.038 0.000 0.762 92 E CB 2.261 32.011 29.700 0.084 0.000 1.180 92 E HN 0.313 nan 8.360 nan 0.000 0.416 93 V N 2.991 122.961 119.914 0.094 0.000 2.378 93 V HA 0.292 4.412 4.120 0.001 0.000 0.288 93 V C -0.255 175.991 176.094 0.254 0.000 1.016 93 V CA -0.788 61.618 62.300 0.177 0.000 0.840 93 V CB 1.624 33.537 31.823 0.151 0.000 0.994 93 V HN 0.416 nan 8.190 nan 0.000 0.431 94 V N 6.796 126.867 119.914 0.261 0.000 2.448 94 V HA 0.718 4.838 4.120 0.001 0.000 0.295 94 V C -0.527 175.796 176.094 0.381 0.000 1.025 94 V CA -0.483 61.968 62.300 0.252 0.000 0.859 94 V CB 1.255 33.180 31.823 0.171 0.000 0.988 94 V HN 0.818 nan 8.190 nan 0.000 0.431 95 F N 1.261 121.300 119.950 0.149 0.000 2.668 95 F HA 0.743 5.271 4.527 0.001 0.000 0.309 95 F C -0.423 175.458 175.800 0.135 0.000 1.117 95 F CA -0.926 57.149 58.000 0.125 0.000 0.951 95 F CB 1.328 40.385 39.000 0.094 0.000 1.323 95 F HN 0.227 nan 8.300 nan 0.000 0.451 96 T N 2.175 116.828 114.554 0.165 0.000 2.856 96 T HA 0.717 5.067 4.350 0.001 0.000 0.292 96 T C -0.201 174.580 174.700 0.135 0.000 0.980 96 T CA -0.001 62.130 62.100 0.052 0.000 1.091 96 T CB 1.005 69.912 68.868 0.065 0.000 0.936 96 T HN 0.923 nan 8.240 nan 0.000 0.503 97 A N 2.543 125.358 122.820 -0.009 0.000 2.355 97 A HA 0.763 5.083 4.320 0.001 0.000 0.324 97 A C 0.916 178.517 177.584 0.028 0.000 1.117 97 A CA 0.028 52.047 52.037 -0.030 0.000 0.785 97 A CB -0.040 18.669 19.000 -0.485 0.000 1.254 97 A HN 1.586 nan 8.150 nan 0.000 0.453 98 N N -0.572 118.264 118.700 0.227 0.000 2.878 98 N HA -0.206 4.534 4.740 0.001 0.000 0.247 98 N C 1.304 176.863 175.510 0.082 0.000 1.021 98 N CA 2.736 55.864 53.050 0.129 0.000 0.873 98 N CB -2.376 nan 38.487 nan 0.000 1.128 98 N HN 2.084 nan 8.380 nan 0.000 0.571 99 D N -1.779 118.683 120.400 0.104 0.000 2.242 99 D HA 0.182 4.823 4.640 0.001 0.000 0.190 99 D C 1.663 177.995 176.300 0.054 0.000 1.012 99 D CA 3.013 57.056 54.000 0.072 0.000 0.875 99 D CB -0.972 nan 40.800 nan 0.000 0.922 99 D HN 2.280 nan 8.370 nan 0.000 0.448 100 S N -0.480 115.258 115.700 0.064 0.000 2.497 100 S HA 0.612 5.082 4.470 0.001 0.000 0.176 100 S C 1.076 175.702 174.600 0.044 0.000 1.445 100 S CA 0.547 58.774 58.200 0.044 0.000 1.092 100 S CB -0.350 nan 63.200 nan 0.000 1.216 100 S HN 1.799 nan 8.310 nan 0.000 0.486 101 G N 0.840 109.664 108.800 0.040 0.000 2.877 101 G HA2 0.150 4.110 3.960 0.001 0.000 0.279 101 G HA3 0.150 4.110 3.960 0.001 0.000 0.279 101 G C -1.313 173.625 174.900 0.063 0.000 1.431 101 G CA -0.286 44.837 45.100 0.039 0.000 0.883 101 G HN 0.970 nan 8.290 nan 0.000 0.547 102 P HA 0.603 nan 4.420 nan 0.000 0.272 102 P C 0.174 177.532 177.300 0.097 0.000 1.223 102 P CA 0.669 63.840 63.100 0.118 0.000 0.784 102 P CB 0.395 nan 31.700 nan 0.000 0.923 103 R N 1.135 121.707 120.500 0.121 0.000 2.885 103 R HA 0.575 4.915 4.340 0.001 0.000 0.260 103 R C -0.543 175.729 176.300 -0.046 0.000 1.107 103 R CA -0.995 55.053 56.100 -0.087 0.000 0.978 103 R CB 1.065 31.147 30.300 -0.364 0.000 1.227 103 R HN 0.417 nan 8.270 nan 0.000 0.473 104 R N 1.092 121.514 120.500 -0.131 0.000 2.308 104 R HA 0.314 4.654 4.340 0.001 0.000 0.305 104 R C -0.767 175.402 176.300 -0.220 0.000 1.053 104 R CA -0.150 55.908 56.100 -0.070 0.000 0.957 104 R CB -0.060 30.203 30.300 -0.062 0.000 1.022 104 R HN 0.468 nan 8.270 nan 0.000 0.461 105 Y N 0.085 120.396 120.300 0.019 0.000 2.341 105 Y HA 0.304 4.854 4.550 0.001 0.000 0.338 105 Y C 0.442 176.295 175.900 -0.079 0.000 0.965 105 Y CA -0.452 57.631 58.100 -0.027 0.000 1.108 105 Y CB 2.119 40.577 38.460 -0.003 0.000 1.180 105 Y HN 0.341 nan 8.280 nan 0.000 0.458 106 T N 5.277 119.856 114.554 0.041 0.000 2.770 106 T HA 0.483 4.833 4.350 0.001 0.000 0.283 106 T C -0.477 174.206 174.700 -0.029 0.000 0.988 106 T CA -0.527 61.575 62.100 0.003 0.000 0.957 106 T CB 0.393 69.258 68.868 -0.005 0.000 0.930 106 T HN 0.256 nan 8.240 nan 0.000 0.443 107 I N 3.368 123.906 120.570 -0.054 0.000 2.312 107 I HA 0.543 4.713 4.170 0.001 0.000 0.290 107 I C 0.412 176.504 176.117 -0.041 0.000 1.008 107 I CA -0.954 60.297 61.300 -0.082 0.000 1.226 107 I CB 0.612 38.542 38.000 -0.117 0.000 1.371 107 I HN 0.647 nan 8.210 nan 0.000 0.468 108 A N 5.696 128.502 122.820 -0.024 0.000 2.330 108 A HA 0.905 5.225 4.320 0.001 0.000 0.327 108 A C -0.298 177.293 177.584 0.012 0.000 1.155 108 A CA -0.487 51.545 52.037 -0.010 0.000 0.803 108 A CB 1.313 20.312 19.000 -0.001 0.000 1.208 108 A HN 0.804 nan 8.150 nan 0.000 0.477 109 A N 1.578 124.402 122.820 0.006 0.000 2.386 109 A HA 0.714 5.034 4.320 0.001 0.000 0.311 109 A C -1.215 176.396 177.584 0.045 0.000 1.068 109 A CA -0.458 51.607 52.037 0.046 0.000 0.743 109 A CB 1.227 20.227 19.000 -0.000 0.000 1.258 109 A HN 1.659 nan 8.150 nan 0.000 0.429 110 L N 2.956 124.244 121.223 0.109 0.000 2.343 110 L HA 0.695 5.035 4.340 0.001 0.000 0.278 110 L C -1.408 175.580 176.870 0.197 0.000 0.996 110 L CA -0.197 54.712 54.840 0.115 0.000 0.831 110 L CB 1.003 43.124 42.059 0.103 0.000 1.232 110 L HN 0.605 nan 8.230 nan 0.000 0.413 111 L N 4.372 125.721 121.223 0.209 0.000 2.317 111 L HA 0.717 5.057 4.340 0.001 0.000 0.281 111 L C -0.075 177.141 176.870 0.577 0.000 1.024 111 L CA -0.386 54.685 54.840 0.385 0.000 0.810 111 L CB 1.737 43.984 42.059 0.314 0.000 1.240 111 L HN 0.628 nan 8.230 nan 0.000 0.427 112 S N 1.828 117.848 115.700 0.533 0.000 2.599 112 S HA 0.439 4.909 4.470 0.001 0.000 0.287 112 S C -2.054 172.558 174.600 0.020 0.000 1.105 112 S CA -1.015 57.359 58.200 0.290 0.000 0.899 112 S CB 2.391 65.695 63.200 0.173 0.000 1.100 112 S HN 0.354 nan 8.310 nan 0.000 0.482 113 P HA -0.096 nan 4.420 nan 0.000 0.216 113 P C 0.046 177.206 177.300 -0.233 0.000 1.153 113 P CA 1.520 64.212 63.100 -0.680 0.000 0.858 113 P CB 0.043 31.402 31.700 -0.568 0.000 0.789 114 Y N -2.188 118.059 120.300 -0.089 0.000 2.660 114 Y HA 0.457 5.008 4.550 0.001 0.000 0.254 114 Y C 0.699 176.646 175.900 0.079 0.000 1.176 114 Y CA -0.109 57.930 58.100 -0.102 0.000 1.195 114 Y CB 0.598 38.893 38.460 -0.275 0.000 1.190 114 Y HN -0.170 nan 8.280 nan 0.000 0.535 115 S N 0.076 116.022 115.700 0.410 0.000 2.547 115 S HA 0.663 5.134 4.470 0.001 0.000 0.270 115 S C -1.866 172.990 174.600 0.427 0.000 1.150 115 S CA -0.513 57.910 58.200 0.371 0.000 0.850 115 S CB 0.978 64.284 63.200 0.177 0.000 1.118 115 S HN 0.204 nan 8.310 nan 0.000 0.461 116 Y N 0.124 120.513 120.300 0.149 0.000 2.581 116 Y HA 0.799 5.349 4.550 0.000 0.000 0.337 116 Y C -0.889 175.043 175.900 0.054 0.000 1.108 116 Y CA -0.712 57.443 58.100 0.092 0.000 1.033 116 Y CB 0.982 39.462 38.460 0.033 0.000 1.318 116 Y HN 0.713 nan 8.280 nan 0.000 0.459 117 S N 1.250 117.054 115.700 0.174 0.000 2.542 117 S HA 0.824 5.294 4.470 0.001 0.000 0.293 117 S C -1.060 173.644 174.600 0.173 0.000 1.089 117 S CA -0.524 57.703 58.200 0.046 0.000 0.961 117 S CB 2.002 65.221 63.200 0.032 0.000 1.062 117 S HN 1.111 nan 8.310 nan 0.000 0.483 118 T N 0.660 115.286 114.554 0.119 0.000 2.909 118 T HA 0.727 5.077 4.350 0.001 0.000 0.299 118 T C -1.025 173.709 174.700 0.057 0.000 1.073 118 T CA -0.243 61.932 62.100 0.126 0.000 0.999 118 T CB 1.939 70.924 68.868 0.195 0.000 1.098 118 T HN 0.929 nan 8.240 nan 0.000 0.477 119 T N 1.531 116.104 114.554 0.032 0.000 2.883 119 T HA 0.785 5.135 4.350 0.001 0.000 0.296 119 T C -1.505 173.187 174.700 -0.013 0.000 1.117 119 T CA -0.338 61.768 62.100 0.011 0.000 1.006 119 T CB 1.354 70.228 68.868 0.011 0.000 1.191 119 T HN 0.959 nan 8.240 nan 0.000 0.508 120 A N 2.268 125.077 122.820 -0.020 0.000 2.331 120 A HA 0.751 5.071 4.320 0.001 0.000 0.320 120 A C -0.942 176.630 177.584 -0.020 0.000 1.138 120 A CA -0.535 51.480 52.037 -0.037 0.000 0.790 120 A CB 1.271 20.244 19.000 -0.045 0.000 1.206 120 A HN 0.705 nan 8.150 nan 0.000 0.470 121 V N 3.400 123.299 119.914 -0.025 0.000 2.357 121 V HA 0.407 4.527 4.120 0.001 0.000 0.284 121 V C -0.456 175.596 176.094 -0.069 0.000 1.018 121 V CA -0.391 61.887 62.300 -0.036 0.000 0.841 121 V CB 1.292 33.096 31.823 -0.031 0.000 0.991 121 V HN 0.625 nan 8.190 nan 0.000 0.437 122 V N 5.245 125.098 119.914 -0.101 0.000 2.378 122 V HA 0.768 4.888 4.120 0.001 0.000 0.288 122 V C 0.248 176.237 176.094 -0.176 0.000 1.016 122 V CA -0.137 62.030 62.300 -0.223 0.000 0.840 122 V CB 1.754 33.437 31.823 -0.233 0.000 0.994 122 V HN 1.048 nan 8.190 nan 0.000 0.431 123 T N 0.000 114.439 114.554 -0.192 0.000 3.816 123 T HA 0.000 4.350 4.350 0.001 0.000 0.228 123 T CA 0.000 62.028 62.100 -0.120 0.000 1.349 123 T CB 0.000 68.820 68.868 -0.080 0.000 0.612 123 T HN 0.000 nan 8.240 nan 0.000 0.658