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 1i4z_1_H DATA FIRST_RESID 1 DATA SEQUENCE GFPIPDPYVW DPSFRTFYSI IDDEHKTLFN GIFHLAIDDN ADNLGELRRC DATA SEQUENCE TGKHFLNEQV LMQASQYQFY DEHKKEHETF IHALDNWKGD VKWAKSWYVN DATA SEQUENCE HIKTIDFKYK GKI 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 4.168 3.960 0.347 0.000 0.244 1 G C 0.000 174.776 174.900 -0.207 0.000 0.946 1 G CA 0.000 44.962 45.100 -0.231 0.000 0.502 2 F N 3.353 123.257 119.950 -0.077 0.000 2.514 2 F HA 0.213 4.955 4.527 0.358 0.000 0.399 2 F C -1.000 174.778 175.800 -0.037 0.000 1.011 2 F CA -0.571 57.375 58.000 -0.090 0.000 1.109 2 F CB -0.151 38.773 39.000 -0.127 0.000 0.980 2 F HN 0.008 nan 8.300 nan 0.000 0.538 3 P HA 0.018 nan 4.420 nan 0.000 0.267 3 P C -0.279 177.122 177.300 0.170 0.000 1.209 3 P CA -0.080 63.085 63.100 0.108 0.000 0.763 3 P CB 0.667 32.401 31.700 0.055 0.000 0.816 4 I N 6.183 126.866 120.570 0.187 0.000 2.347 4 I HA 0.142 4.520 4.170 0.347 0.000 0.294 4 I C -1.337 174.935 176.117 0.259 0.000 1.090 4 I CA -2.865 58.595 61.300 0.267 0.000 1.314 4 I CB -0.440 37.724 38.000 0.274 0.000 1.423 4 I HN 0.237 nan 8.210 nan 0.000 0.503 5 P HA 0.051 nan 4.420 nan 0.000 0.266 5 P C -0.457 176.992 177.300 0.248 0.000 1.193 5 P CA 0.143 63.358 63.100 0.191 0.000 0.770 5 P CB 1.382 33.155 31.700 0.122 0.000 0.836 6 D N 2.113 122.626 120.400 0.189 0.000 2.591 6 D HA 0.193 5.041 4.640 0.347 0.000 0.222 6 D C -2.113 174.281 176.300 0.155 0.000 1.360 6 D CA -1.171 52.947 54.000 0.196 0.000 0.967 6 D CB 1.128 42.023 40.800 0.158 0.000 1.456 6 D HN 0.251 nan 8.370 nan 0.000 0.588 7 P HA 0.000 nan 4.420 nan 0.000 0.266 7 P C -0.387 177.138 177.300 0.374 0.000 1.193 7 P CA -0.130 63.155 63.100 0.309 0.000 0.770 7 P CB 0.397 32.324 31.700 0.377 0.000 0.836 8 Y N 2.139 122.661 120.300 0.371 0.000 2.576 8 Y HA 0.245 5.001 4.550 0.344 0.000 0.348 8 Y C -0.197 176.007 175.900 0.506 0.000 1.212 8 Y CA 0.176 58.529 58.100 0.422 0.000 1.683 8 Y CB -0.145 38.527 38.460 0.353 0.000 1.484 8 Y HN 0.050 nan 8.280 nan 0.000 0.477 9 V N 4.954 124.948 119.914 0.134 0.000 3.040 9 V HA 0.199 4.527 4.120 0.347 0.000 0.312 9 V C -0.935 174.804 176.094 -0.592 0.000 1.115 9 V CA -1.531 60.739 62.300 -0.050 0.000 0.998 9 V CB 1.855 33.663 31.823 -0.024 0.000 1.042 9 V HN 0.674 nan 8.190 nan 0.000 0.433 10 W N 3.331 124.023 121.300 -1.015 0.000 2.287 10 W HA 0.537 5.418 4.660 0.369 0.000 0.313 10 W C -0.328 175.885 176.519 -0.509 0.000 1.267 10 W CA 0.129 56.638 57.345 -1.392 0.000 1.201 10 W CB 0.755 29.645 29.460 -0.951 0.000 1.196 10 W HN 0.823 nan 8.180 nan 0.000 0.536 11 D N 4.541 124.555 120.400 -0.644 0.000 2.419 11 D HA 0.419 5.267 4.640 0.347 0.000 0.234 11 D C -2.291 173.337 176.300 -1.120 0.000 1.014 11 D CA -2.120 51.574 54.000 -0.509 0.000 0.919 11 D CB 1.971 42.633 40.800 -0.230 0.000 1.366 11 D HN 0.076 nan 8.370 nan 0.000 0.490 12 P HA -0.215 nan 4.420 nan 0.000 0.221 12 P C 1.242 178.242 177.300 -0.501 0.000 1.141 12 P CA 1.457 64.208 63.100 -0.580 0.000 0.794 12 P CB 0.031 31.635 31.700 -0.161 0.000 0.764 13 S N -2.062 113.329 115.700 -0.516 0.000 2.474 13 S HA -0.109 4.569 4.470 0.347 0.000 0.235 13 S C 1.462 175.712 174.600 -0.583 0.000 0.997 13 S CA 0.786 58.695 58.200 -0.484 0.000 0.949 13 S CB -1.406 61.489 63.200 -0.507 0.000 0.766 13 S HN 0.079 nan 8.310 nan 0.000 0.517 14 F N 1.512 121.119 119.950 -0.572 0.000 2.789 14 F HA 0.375 5.111 4.527 0.348 0.000 0.300 14 F C 1.411 177.224 175.800 0.022 0.000 1.132 14 F CA -0.485 57.297 58.000 -0.365 0.000 1.404 14 F CB -0.078 38.487 39.000 -0.725 0.000 1.114 14 F HN -0.088 nan 8.300 nan 0.000 0.584 15 R N 0.919 121.377 120.500 -0.070 0.000 2.494 15 R HA -0.053 4.496 4.340 0.347 0.000 0.291 15 R C 1.389 177.325 176.300 -0.607 0.000 0.953 15 R CA 0.982 56.964 56.100 -0.197 0.000 1.098 15 R CB 0.196 30.182 30.300 -0.522 0.000 0.911 15 R HN 0.236 nan 8.270 nan 0.000 0.407 16 T N -0.391 114.010 114.554 -0.255 0.000 3.014 16 T HA 0.072 4.631 4.350 0.347 0.000 0.250 16 T C 0.524 175.092 174.700 -0.221 0.000 1.060 16 T CA -0.168 61.840 62.100 -0.154 0.000 1.040 16 T CB 0.134 69.295 68.868 0.489 0.000 0.971 16 T HN 0.635 nan 8.240 nan 0.000 0.497 17 F N -0.794 119.189 119.950 0.055 0.000 2.795 17 F HA -0.135 4.606 4.527 0.357 0.000 0.297 17 F C -0.596 175.080 175.800 -0.206 0.000 0.699 17 F CA -0.416 57.522 58.000 -0.102 0.000 1.384 17 F CB -2.891 35.975 39.000 -0.223 0.000 1.672 17 F HN 0.313 nan 8.300 nan 0.000 0.345 18 Y N 0.062 120.483 120.300 0.201 0.000 2.842 18 Y HA 0.474 5.231 4.550 0.345 0.000 0.334 18 Y C 1.288 177.250 175.900 0.103 0.000 1.019 18 Y CA -0.313 57.879 58.100 0.153 0.000 1.258 18 Y CB 1.243 39.802 38.460 0.165 0.000 1.106 18 Y HN 0.064 nan 8.280 nan 0.000 0.545 19 S N 2.078 117.890 115.700 0.188 0.000 2.409 19 S HA -0.274 4.404 4.470 0.347 0.000 0.237 19 S C 2.053 176.688 174.600 0.059 0.000 1.060 19 S CA 2.274 60.535 58.200 0.102 0.000 1.052 19 S CB -0.165 63.080 63.200 0.074 0.000 0.871 19 S HN 0.693 nan 8.310 nan 0.000 0.465 20 I N 1.281 121.901 120.570 0.084 0.000 2.193 20 I HA 0.033 4.411 4.170 0.347 0.000 0.240 20 I C 2.002 178.129 176.117 0.017 0.000 1.084 20 I CA 1.209 62.532 61.300 0.040 0.000 1.365 20 I CB -0.549 37.478 38.000 0.045 0.000 1.064 20 I HN 0.397 nan 8.210 nan 0.000 0.410 21 I N 0.602 121.206 120.570 0.056 0.000 2.264 21 I HA -0.303 4.076 4.170 0.347 0.000 0.248 21 I C 2.000 177.979 176.117 -0.231 0.000 1.111 21 I CA 1.350 62.644 61.300 -0.011 0.000 1.382 21 I CB -0.658 37.422 38.000 0.134 0.000 1.060 21 I HN 0.260 nan 8.210 nan 0.000 0.418 22 D N 1.038 121.424 120.400 -0.025 0.000 2.084 22 D HA -0.183 4.665 4.640 0.347 0.000 0.194 22 D C 1.753 177.858 176.300 -0.324 0.000 0.990 22 D CA 1.414 55.399 54.000 -0.026 0.000 0.826 22 D CB -0.396 40.441 40.800 0.062 0.000 0.971 22 D HN 0.314 nan 8.370 nan 0.000 0.453 23 D N 0.791 121.032 120.400 -0.265 0.000 2.178 23 D HA -0.115 4.734 4.640 0.347 0.000 0.201 23 D C 1.907 178.075 176.300 -0.220 0.000 0.980 23 D CA 0.660 54.489 54.000 -0.285 0.000 0.842 23 D CB -0.227 40.471 40.800 -0.169 0.000 0.948 23 D HN 0.459 nan 8.370 nan 0.000 0.472 24 E N -0.133 119.965 120.200 -0.170 0.000 2.107 24 E HA -0.129 4.429 4.350 0.347 0.000 0.191 24 E C 1.936 178.453 176.600 -0.138 0.000 0.982 24 E CA 0.556 56.879 56.400 -0.129 0.000 0.809 24 E CB -0.257 29.426 29.700 -0.029 0.000 0.756 24 E HN 0.561 nan 8.360 nan 0.000 0.459 25 H N 1.158 120.135 119.070 -0.155 0.000 2.352 25 H HA -0.074 4.792 4.556 0.516 0.000 0.299 25 H C 2.144 177.549 175.328 0.128 0.000 1.097 25 H CA 1.137 57.228 56.048 0.072 0.000 1.311 25 H CB 0.160 30.078 29.762 0.260 0.000 1.377 25 H HN 0.020 nan 8.280 nan 0.000 0.504 26 K N 0.012 120.306 120.400 -0.176 0.000 2.032 26 K HA -0.155 4.373 4.320 0.347 0.000 0.209 26 K C 2.487 179.095 176.600 0.012 0.000 1.048 26 K CA 1.916 58.056 56.287 -0.245 0.000 0.927 26 K CB -0.330 31.845 32.500 -0.541 0.000 0.712 26 K HN 0.428 nan 8.250 nan 0.000 0.441 27 T N 0.214 114.754 114.554 -0.024 0.000 2.867 27 T HA -0.103 4.455 4.350 0.347 0.000 0.268 27 T C 1.964 176.696 174.700 0.053 0.000 1.057 27 T CA 0.754 62.858 62.100 0.007 0.000 1.136 27 T CB -0.292 68.561 68.868 -0.025 0.000 0.874 27 T HN 0.131 nan 8.240 nan 0.000 0.466 28 L N -1.063 120.199 121.223 0.066 0.000 2.056 28 L HA 0.123 4.672 4.340 0.347 0.000 0.207 28 L C 2.464 179.363 176.870 0.049 0.000 1.078 28 L CA 1.263 56.082 54.840 -0.034 0.000 0.749 28 L CB -0.380 41.580 42.059 -0.164 0.000 0.901 28 L HN 0.179 nan 8.230 nan 0.000 0.433 29 F N 0.330 120.362 119.950 0.136 0.000 2.095 29 F HA -0.312 4.411 4.527 0.327 0.000 0.298 29 F C 2.415 178.375 175.800 0.266 0.000 1.104 29 F CA 2.228 60.378 58.000 0.251 0.000 1.232 29 F CB -0.524 38.535 39.000 0.099 0.000 0.987 29 F HN 0.260 nan 8.300 nan 0.000 0.475 30 N N -0.082 118.808 118.700 0.317 0.000 2.149 30 N HA -0.130 4.818 4.740 0.347 0.000 0.188 30 N C 2.100 177.773 175.510 0.272 0.000 1.019 30 N CA 1.456 54.619 53.050 0.189 0.000 0.857 30 N CB -0.579 37.958 38.487 0.083 0.000 0.997 30 N HN 0.230 nan 8.380 nan 0.000 0.426 31 G N 0.856 109.765 108.800 0.182 0.000 2.459 31 G HA2 -0.211 3.958 3.960 0.347 0.000 0.217 31 G HA3 -0.211 3.958 3.960 0.347 0.000 0.217 31 G C 1.479 176.451 174.900 0.119 0.000 1.183 31 G CA 1.102 46.272 45.100 0.118 0.000 0.776 31 G HN 0.381 nan 8.290 nan 0.000 0.552 32 I N -0.239 120.379 120.570 0.079 0.000 2.315 32 I HA -0.080 4.298 4.170 0.347 0.000 0.248 32 I C 2.424 178.579 176.117 0.064 0.000 1.117 32 I CA 0.758 62.059 61.300 0.001 0.000 1.404 32 I CB -0.415 37.515 38.000 -0.116 0.000 1.071 32 I HN 0.172 nan 8.210 nan 0.000 0.419 33 F N 2.223 122.211 119.950 0.064 0.000 2.024 33 F HA -0.367 4.368 4.527 0.347 0.000 0.296 33 F C 2.593 178.363 175.800 -0.051 0.000 1.137 33 F CA 2.336 60.356 58.000 0.034 0.000 1.200 33 F CB -0.650 38.355 39.000 0.009 0.000 0.954 33 F HN 0.054 nan 8.300 nan 0.000 0.497 34 H N -0.348 118.940 119.070 0.363 0.000 2.421 34 H HA -0.163 4.600 4.556 0.344 0.000 0.298 34 H C 2.316 177.662 175.328 0.031 0.000 1.087 34 H CA 1.304 57.458 56.048 0.176 0.000 1.330 34 H CB -0.261 29.618 29.762 0.196 0.000 1.388 34 H HN 0.311 nan 8.280 nan 0.000 0.526 35 L N 0.583 121.879 121.223 0.123 0.000 1.989 35 L HA -0.191 4.357 4.340 0.347 0.000 0.211 35 L C 2.299 179.200 176.870 0.051 0.000 1.071 35 L CA 1.905 56.770 54.840 0.041 0.000 0.749 35 L CB -0.956 41.078 42.059 -0.041 0.000 0.890 35 L HN 0.364 nan 8.230 nan 0.000 0.431 36 A N -0.273 122.543 122.820 -0.007 0.000 2.019 36 A HA -0.147 4.382 4.320 0.347 0.000 0.219 36 A C 2.070 179.624 177.584 -0.050 0.000 1.164 36 A CA 1.337 53.358 52.037 -0.026 0.000 0.644 36 A CB -0.538 18.399 19.000 -0.104 0.000 0.805 36 A HN 0.564 nan 8.150 nan 0.000 0.449 37 I N -1.100 119.421 120.570 -0.082 0.000 3.251 37 I HA 0.014 4.393 4.170 0.347 0.000 0.277 37 I C -0.019 176.107 176.117 0.016 0.000 1.268 37 I CA 0.505 61.768 61.300 -0.062 0.000 1.449 37 I CB 0.216 38.157 38.000 -0.099 0.000 1.083 37 I HN 0.190 nan 8.210 nan 0.000 0.464 38 D N 0.178 120.604 120.400 0.042 0.000 2.369 38 D HA -0.021 4.827 4.640 0.347 0.000 0.185 38 D C -0.294 176.043 176.300 0.062 0.000 1.253 38 D CA -0.250 53.780 54.000 0.051 0.000 1.107 38 D CB 0.137 40.967 40.800 0.050 0.000 1.588 38 D HN -0.105 nan 8.370 nan 0.000 0.561 39 D N 1.650 122.103 120.400 0.088 0.000 2.417 39 D HA -0.074 4.775 4.640 0.347 0.000 0.240 39 D C 0.883 177.243 176.300 0.099 0.000 1.062 39 D CA 0.431 54.520 54.000 0.147 0.000 0.959 39 D CB -0.155 40.773 40.800 0.213 0.000 0.877 39 D HN 0.608 nan 8.370 nan 0.000 0.528 40 N N -1.465 117.262 118.700 0.045 0.000 2.340 40 N HA -0.002 4.946 4.740 0.347 0.000 0.236 40 N C 1.302 176.801 175.510 -0.019 0.000 1.296 40 N CA 0.038 53.098 53.050 0.017 0.000 0.896 40 N CB 0.924 39.414 38.487 0.006 0.000 1.127 40 N HN -0.085 nan 8.380 nan 0.000 0.442 41 A N 0.907 123.713 122.820 -0.023 0.000 1.940 41 A HA -0.217 4.312 4.320 0.347 0.000 0.219 41 A C 1.571 179.114 177.584 -0.069 0.000 1.176 41 A CA 1.849 53.857 52.037 -0.049 0.000 0.631 41 A CB -0.635 18.344 19.000 -0.035 0.000 0.814 41 A HN 0.851 nan 8.150 nan 0.000 0.446 42 D N -0.134 120.232 120.400 -0.056 0.000 2.117 42 D HA -0.095 4.753 4.640 0.347 0.000 0.198 42 D C 1.788 178.040 176.300 -0.080 0.000 0.982 42 D CA 1.124 55.085 54.000 -0.064 0.000 0.828 42 D CB -0.241 40.527 40.800 -0.053 0.000 0.967 42 D HN 0.354 nan 8.370 nan 0.000 0.464 43 N N 0.256 118.912 118.700 -0.073 0.000 2.106 43 N HA -0.102 4.846 4.740 0.347 0.000 0.188 43 N C 1.767 177.199 175.510 -0.129 0.000 1.029 43 N CA 0.332 53.339 53.050 -0.072 0.000 0.848 43 N CB -0.443 38.031 38.487 -0.023 0.000 1.007 43 N HN 0.131 nan 8.380 nan 0.000 0.423 44 L N 1.137 122.255 121.223 -0.175 0.000 2.083 44 L HA 0.011 4.559 4.340 0.347 0.000 0.209 44 L C 2.032 178.756 176.870 -0.245 0.000 1.083 44 L CA 1.706 56.370 54.840 -0.295 0.000 0.752 44 L CB -1.146 40.720 42.059 -0.322 0.000 0.899 44 L HN 0.158 nan 8.230 nan 0.000 0.433 45 G N -1.215 107.484 108.800 -0.168 0.000 2.421 45 G HA2 -0.336 3.832 3.960 0.347 0.000 0.216 45 G HA3 -0.336 3.832 3.960 0.347 0.000 0.216 45 G C 1.470 176.289 174.900 -0.135 0.000 1.171 45 G CA 0.872 45.888 45.100 -0.141 0.000 0.775 45 G HN 0.474 nan 8.290 nan 0.000 0.543 46 E N 0.163 120.291 120.200 -0.119 0.000 2.051 46 E HA -0.125 4.434 4.350 0.347 0.000 0.192 46 E C 2.317 178.845 176.600 -0.121 0.000 0.991 46 E CA 1.089 57.428 56.400 -0.101 0.000 0.799 46 E CB -0.492 29.159 29.700 -0.082 0.000 0.748 46 E HN 0.279 nan 8.360 nan 0.000 0.449 47 L N 0.749 121.882 121.223 -0.150 0.000 1.994 47 L HA -0.087 4.461 4.340 0.347 0.000 0.208 47 L C 2.406 179.130 176.870 -0.244 0.000 1.071 47 L CA 2.084 56.811 54.840 -0.190 0.000 0.745 47 L CB -0.824 41.094 42.059 -0.235 0.000 0.892 47 L HN 0.079 nan 8.230 nan 0.000 0.431 48 R N 0.100 120.438 120.500 -0.271 0.000 2.117 48 R HA -0.201 4.348 4.340 0.347 0.000 0.243 48 R C 2.513 178.686 176.300 -0.211 0.000 1.143 48 R CA 2.031 57.965 56.100 -0.278 0.000 0.968 48 R CB -0.647 29.499 30.300 -0.258 0.000 0.863 48 R HN 0.572 nan 8.270 nan 0.000 0.444 49 R N -0.909 119.494 120.500 -0.162 0.000 2.055 49 R HA -0.098 4.450 4.340 0.347 0.000 0.228 49 R C 2.333 178.562 176.300 -0.119 0.000 1.143 49 R CA 1.699 57.727 56.100 -0.119 0.000 0.945 49 R CB -1.070 29.176 30.300 -0.091 0.000 0.841 49 R HN 0.369 nan 8.270 nan 0.000 0.429 50 C N 0.926 120.153 119.300 -0.121 0.000 2.401 50 C HA -0.113 4.556 4.460 0.347 0.000 0.276 50 C C 2.615 177.522 174.990 -0.138 0.000 1.233 50 C CA 1.795 60.752 59.018 -0.101 0.000 1.753 50 C CB -0.975 26.709 27.740 -0.094 0.000 2.029 50 C HN 0.649 nan 8.230 nan 0.000 0.478 51 T N -0.275 114.120 114.554 -0.266 0.000 2.614 51 T HA -0.029 4.529 4.350 0.347 0.000 0.263 51 T C 1.913 176.276 174.700 -0.562 0.000 1.055 51 T CA 1.794 63.582 62.100 -0.519 0.000 1.162 51 T CB -0.975 67.528 68.868 -0.607 0.000 0.863 51 T HN 0.671 nan 8.240 nan 0.000 0.414 52 G N 1.531 110.124 108.800 -0.346 0.000 2.469 52 G HA2 -0.241 3.927 3.960 0.347 0.000 0.220 52 G HA3 -0.241 3.927 3.960 0.347 0.000 0.220 52 G C 1.874 176.754 174.900 -0.035 0.000 1.136 52 G CA 1.849 46.866 45.100 -0.139 0.000 0.759 52 G HN 0.666 nan 8.290 nan 0.000 0.562 53 K N 0.479 120.852 120.400 -0.045 0.000 2.002 53 K HA -0.137 4.391 4.320 0.347 0.000 0.209 53 K C 2.212 178.836 176.600 0.041 0.000 1.048 53 K CA 1.928 58.217 56.287 0.003 0.000 0.930 53 K CB -1.184 31.316 32.500 -0.002 0.000 0.714 53 K HN 0.623 nan 8.250 nan 0.000 0.438 54 H N -0.519 118.552 119.070 0.002 0.000 2.321 54 H HA -0.025 4.498 4.556 -0.055 0.000 0.300 54 H C 1.847 177.315 175.328 0.233 0.000 1.087 54 H CA 1.959 58.063 56.048 0.095 0.000 1.319 54 H CB -0.299 29.529 29.762 0.110 0.000 1.379 54 H HN 0.327 nan 8.280 nan 0.000 0.501 55 F N -0.093 119.671 119.950 -0.310 0.000 2.202 55 F HA -0.109 4.601 4.527 0.306 0.000 0.301 55 F C 2.384 178.067 175.800 -0.196 0.000 1.082 55 F CA 1.016 58.718 58.000 -0.497 0.000 1.313 55 F CB -0.987 37.724 39.000 -0.481 0.000 1.024 55 F HN 0.321 nan 8.300 nan 0.000 0.495 56 L N 0.251 121.527 121.223 0.089 0.000 2.131 56 L HA -0.063 4.485 4.340 0.347 0.000 0.206 56 L C 1.817 178.706 176.870 0.033 0.000 1.087 56 L CA 1.668 56.557 54.840 0.081 0.000 0.767 56 L CB -0.894 41.206 42.059 0.069 0.000 0.917 56 L HN 0.042 nan 8.230 nan 0.000 0.441 57 N N -0.729 117.960 118.700 -0.017 0.000 2.166 57 N HA -0.217 4.731 4.740 0.347 0.000 0.186 57 N C 1.606 177.068 175.510 -0.080 0.000 1.019 57 N CA 1.190 54.217 53.050 -0.038 0.000 0.856 57 N CB -0.077 38.395 38.487 -0.024 0.000 0.993 57 N HN 0.498 nan 8.380 nan 0.000 0.426 58 E N 1.190 121.309 120.200 -0.136 0.000 2.152 58 E HA -0.137 4.422 4.350 0.347 0.000 0.192 58 E C 1.787 178.319 176.600 -0.114 0.000 0.983 58 E CA 0.706 57.008 56.400 -0.163 0.000 0.818 58 E CB 0.230 29.858 29.700 -0.120 0.000 0.758 58 E HN 0.372 nan 8.360 nan 0.000 0.467 59 Q N -0.239 119.577 119.800 0.027 0.000 2.119 59 Q HA -0.110 4.438 4.340 0.347 0.000 0.201 59 Q C 2.237 178.317 176.000 0.133 0.000 0.972 59 Q CA 1.106 57.040 55.803 0.219 0.000 0.847 59 Q CB 0.187 29.115 28.738 0.317 0.000 0.903 59 Q HN 0.150 nan 8.270 nan 0.000 0.433 60 V N 0.957 120.891 119.914 0.033 0.000 2.233 60 V HA -0.316 4.013 4.120 0.347 0.000 0.247 60 V C 2.645 178.696 176.094 -0.072 0.000 1.050 60 V CA 2.104 64.391 62.300 -0.022 0.000 1.010 60 V CB -1.161 30.649 31.823 -0.022 0.000 0.637 60 V HN 0.538 nan 8.190 nan 0.000 0.444 61 L N -1.787 119.369 121.223 -0.112 0.000 2.131 61 L HA -0.159 4.390 4.340 0.347 0.000 0.210 61 L C 2.319 179.074 176.870 -0.193 0.000 1.092 61 L CA 2.816 57.552 54.840 -0.172 0.000 0.759 61 L CB -1.142 40.764 42.059 -0.256 0.000 0.903 61 L HN 0.363 nan 8.230 nan 0.000 0.435 62 M N -1.654 117.844 119.600 -0.170 0.000 2.098 62 M HA -0.221 4.467 4.480 0.347 0.000 0.262 62 M C 2.490 178.774 176.300 -0.026 0.000 1.072 62 M CA 1.893 57.148 55.300 -0.076 0.000 1.133 62 M CB -0.308 32.354 32.600 0.102 0.000 1.344 62 M HN 0.573 nan 8.290 nan 0.000 0.414 63 Q N -0.041 119.672 119.800 -0.144 0.000 2.234 63 Q HA -0.127 4.421 4.340 0.347 0.000 0.206 63 Q C 2.000 177.917 176.000 -0.138 0.000 0.980 63 Q CA 1.387 57.035 55.803 -0.258 0.000 0.869 63 Q CB -0.245 28.292 28.738 -0.334 0.000 0.912 63 Q HN 0.556 nan 8.270 nan 0.000 0.436 64 A N -0.114 122.648 122.820 -0.096 0.000 2.119 64 A HA -0.031 4.498 4.320 0.347 0.000 0.217 64 A C 1.611 179.170 177.584 -0.042 0.000 1.153 64 A CA 0.993 52.990 52.037 -0.066 0.000 0.692 64 A CB 0.277 19.240 19.000 -0.062 0.000 0.799 64 A HN 0.132 nan 8.150 nan 0.000 0.458 65 S N -0.537 115.147 115.700 -0.027 0.000 2.952 65 S HA 0.217 4.895 4.470 0.347 0.000 0.251 65 S C -0.355 174.258 174.600 0.021 0.000 1.021 65 S CA -0.413 57.791 58.200 0.007 0.000 1.067 65 S CB 0.089 63.307 63.200 0.030 0.000 1.002 65 S HN 0.594 nan 8.310 nan 0.000 0.574 66 Q N 0.824 120.614 119.800 -0.017 0.000 2.431 66 Q HA -0.251 4.297 4.340 0.347 0.000 0.344 66 Q C -0.497 175.509 176.000 0.011 0.000 1.384 66 Q CA 0.395 56.174 55.803 -0.039 0.000 0.984 66 Q CB -1.671 27.034 28.738 -0.054 0.000 1.204 66 Q HN 0.776 nan 8.270 nan 0.000 0.392 67 Y N 0.906 121.176 120.300 -0.050 0.000 2.804 67 Y HA -0.181 4.588 4.550 0.365 0.000 0.338 67 Y C 1.633 177.516 175.900 -0.028 0.000 1.252 67 Y CA 1.033 59.142 58.100 0.014 0.000 1.576 67 Y CB 0.452 38.973 38.460 0.103 0.000 1.223 67 Y HN 0.413 nan 8.280 nan 0.000 0.536 68 Q N 4.210 123.568 119.800 -0.736 0.000 2.156 68 Q HA -0.240 4.309 4.340 0.347 0.000 0.211 68 Q C 0.204 175.487 176.000 -1.195 0.000 0.995 68 Q CA 1.944 57.144 55.803 -1.006 0.000 0.877 68 Q CB -0.159 27.810 28.738 -1.281 0.000 0.920 68 Q HN 0.814 nan 8.270 nan 0.000 0.416 69 F N -0.873 118.470 119.950 -1.012 0.000 2.916 69 F HA 0.157 4.889 4.527 0.342 0.000 0.294 69 F C 0.851 176.656 175.800 0.008 0.000 1.189 69 F CA -0.638 57.119 58.000 -0.405 0.000 1.369 69 F CB -0.288 38.592 39.000 -0.200 0.000 0.961 69 F HN 0.109 nan 8.300 nan 0.000 0.508 70 Y N 1.295 121.603 120.300 0.012 0.000 2.128 70 Y HA -0.279 4.473 4.550 0.337 0.000 0.284 70 Y C 2.014 178.015 175.900 0.169 0.000 1.154 70 Y CA 1.886 60.125 58.100 0.232 0.000 1.149 70 Y CB -0.019 38.515 38.460 0.123 0.000 0.976 70 Y HN 0.073 nan 8.280 nan 0.000 0.505 71 D N 0.186 120.632 120.400 0.076 0.000 2.092 71 D HA -0.261 4.587 4.640 0.347 0.000 0.193 71 D C 2.034 178.328 176.300 -0.010 0.000 0.994 71 D CA 1.974 55.969 54.000 -0.007 0.000 0.828 71 D CB -0.554 40.297 40.800 0.085 0.000 0.963 71 D HN 0.762 nan 8.370 nan 0.000 0.450 72 E N 0.186 120.432 120.200 0.076 0.000 2.110 72 E HA -0.247 4.312 4.350 0.347 0.000 0.193 72 E C 2.000 178.648 176.600 0.081 0.000 0.988 72 E CA 1.267 57.719 56.400 0.086 0.000 0.804 72 E CB -0.516 29.251 29.700 0.112 0.000 0.745 72 E HN 0.489 nan 8.360 nan 0.000 0.458 73 H N 0.352 119.400 119.070 -0.037 0.000 2.462 73 H HA 0.017 4.780 4.556 0.345 0.000 0.292 73 H C 2.167 177.270 175.328 -0.374 0.000 1.049 73 H CA 1.228 57.185 56.048 -0.151 0.000 1.334 73 H CB 0.282 30.015 29.762 -0.049 0.000 1.404 73 H HN 0.120 nan 8.280 nan 0.000 0.544 74 K N 0.451 120.707 120.400 -0.239 0.000 2.116 74 K HA -0.090 4.439 4.320 0.347 0.000 0.203 74 K C 1.791 178.369 176.600 -0.038 0.000 1.052 74 K CA 0.674 56.789 56.287 -0.286 0.000 0.952 74 K CB 0.280 32.467 32.500 -0.521 0.000 0.729 74 K HN 0.075 nan 8.250 nan 0.000 0.446 75 K N 1.124 121.529 120.400 0.009 0.000 2.057 75 K HA -0.119 4.410 4.320 0.347 0.000 0.207 75 K C 1.957 178.662 176.600 0.176 0.000 1.049 75 K CA 1.140 57.480 56.287 0.088 0.000 0.931 75 K CB -0.166 32.384 32.500 0.084 0.000 0.714 75 K HN 0.237 nan 8.250 nan 0.000 0.440 76 E N 0.548 120.869 120.200 0.201 0.000 2.038 76 E HA -0.175 4.383 4.350 0.347 0.000 0.195 76 E C 2.159 179.057 176.600 0.497 0.000 1.000 76 E CA 1.244 57.878 56.400 0.390 0.000 0.803 76 E CB -0.488 29.420 29.700 0.346 0.000 0.750 76 E HN 0.567 nan 8.360 nan 0.000 0.448 77 H N 0.319 119.482 119.070 0.155 0.000 2.387 77 H HA -0.086 4.677 4.556 0.345 0.000 0.299 77 H C 2.128 177.571 175.328 0.193 0.000 1.099 77 H CA 0.996 56.951 56.048 -0.155 0.000 1.315 77 H CB 0.215 29.751 29.762 -0.377 0.000 1.380 77 H HN 0.261 nan 8.280 nan 0.000 0.513 78 E N -0.294 120.088 120.200 0.303 0.000 2.077 78 E HA -0.165 4.393 4.350 0.347 0.000 0.193 78 E C 2.611 179.359 176.600 0.247 0.000 0.989 78 E CA 1.242 57.787 56.400 0.241 0.000 0.800 78 E CB -0.122 29.675 29.700 0.163 0.000 0.746 78 E HN 0.612 nan 8.360 nan 0.000 0.452 79 T N 0.993 115.714 114.554 0.278 0.000 2.595 79 T HA -0.217 4.341 4.350 0.347 0.000 0.264 79 T C 1.677 176.509 174.700 0.219 0.000 1.058 79 T CA 1.507 63.778 62.100 0.285 0.000 1.166 79 T CB -0.641 nan 68.868 nan 0.000 0.863 79 T HN 0.051 nan 8.240 nan 0.000 0.415 80 F N 1.211 121.035 119.950 -0.210 0.000 2.202 80 F HA -0.038 4.694 4.527 0.342 0.000 0.301 80 F C 2.033 177.780 175.800 -0.090 0.000 1.082 80 F CA 0.515 58.209 58.000 -0.510 0.000 1.313 80 F CB -0.155 38.080 39.000 -1.275 0.000 1.024 80 F HN 0.144 nan 8.300 nan 0.000 0.495 81 I N -0.159 120.461 120.570 0.082 0.000 2.252 81 I HA -0.271 4.108 4.170 0.347 0.000 0.245 81 I C 2.417 178.512 176.117 -0.038 0.000 1.102 81 I CA 1.708 62.992 61.300 -0.026 0.000 1.385 81 I CB -1.573 36.510 38.000 0.138 0.000 1.064 81 I HN 0.238 nan 8.210 nan 0.000 0.414 82 H N 1.496 120.555 119.070 -0.018 0.000 2.353 82 H HA -0.104 4.660 4.556 0.345 0.000 0.300 82 H C 2.160 177.465 175.328 -0.039 0.000 1.090 82 H CA 2.059 58.100 56.048 -0.012 0.000 1.327 82 H CB 0.072 29.852 29.762 0.030 0.000 1.383 82 H HN 0.250 nan 8.280 nan 0.000 0.508 83 A N 0.907 123.702 122.820 -0.043 0.000 1.865 83 A HA -0.150 4.378 4.320 0.347 0.000 0.217 83 A C 2.586 180.124 177.584 -0.077 0.000 1.191 83 A CA 1.734 53.730 52.037 -0.067 0.000 0.623 83 A CB -1.060 18.035 19.000 0.158 0.000 0.826 83 A HN 0.501 nan 8.150 nan 0.000 0.444 84 L N -0.623 120.418 121.223 -0.303 0.000 2.127 84 L HA -0.188 4.360 4.340 0.347 0.000 0.211 84 L C 1.606 178.324 176.870 -0.254 0.000 1.089 84 L CA 1.378 55.964 54.840 -0.423 0.000 0.757 84 L CB -0.576 41.094 42.059 -0.647 0.000 0.899 84 L HN 0.329 nan 8.230 nan 0.000 0.434 85 D N -0.295 119.979 120.400 -0.210 0.000 2.323 85 D HA -0.022 4.826 4.640 0.347 0.000 0.209 85 D C 0.600 176.806 176.300 -0.156 0.000 0.973 85 D CA 0.745 54.647 54.000 -0.164 0.000 0.874 85 D CB 0.112 40.835 40.800 -0.127 0.000 0.930 85 D HN 0.372 nan 8.370 nan 0.000 0.521 86 N N 0.271 118.857 118.700 -0.190 0.000 2.723 86 N HA -0.003 4.945 4.740 0.347 0.000 0.290 86 N C -0.648 174.841 175.510 -0.036 0.000 1.882 86 N CA -0.300 52.653 53.050 -0.163 0.000 0.851 86 N CB 0.869 39.158 38.487 -0.330 0.000 1.234 86 N HN 0.183 nan 8.380 nan 0.000 0.491 87 W N 1.470 122.643 121.300 -0.211 0.000 2.223 87 W HA -0.001 4.872 4.660 0.354 0.000 0.334 87 W C 0.692 177.120 176.519 -0.151 0.000 1.334 87 W CA 0.364 57.602 57.345 -0.178 0.000 1.246 87 W CB 0.670 30.044 29.460 -0.144 0.000 1.184 87 W HN 0.279 nan 8.180 nan 0.000 0.563 88 K N 3.335 123.337 120.400 -0.664 0.000 2.413 88 K HA 0.324 4.852 4.320 0.347 0.000 0.204 88 K C 0.890 177.031 176.600 -0.764 0.000 1.041 88 K CA 0.513 56.457 56.287 -0.573 0.000 1.082 88 K CB 0.218 32.437 32.500 -0.468 0.000 0.871 88 K HN 1.095 nan 8.250 nan 0.000 0.535 89 G N 0.694 108.650 108.800 -1.407 0.000 2.179 89 G HA2 -0.235 3.933 3.960 0.347 0.000 0.260 89 G HA3 -0.235 3.933 3.960 0.347 0.000 0.260 89 G C 0.062 174.530 174.900 -0.720 0.000 0.977 89 G CA 0.150 44.698 45.100 -0.920 0.000 0.641 89 G HN 0.536 nan 8.290 nan 0.000 0.533 90 D N 1.048 120.865 120.400 -0.971 0.000 2.498 90 D HA 0.554 5.403 4.640 0.347 0.000 0.229 90 D C 1.853 178.139 176.300 -0.023 0.000 1.188 90 D CA 0.889 54.647 54.000 -0.403 0.000 1.028 90 D CB 0.329 40.929 40.800 -0.332 0.000 1.087 90 D HN 0.688 nan 8.370 nan 0.000 0.510 91 V N 4.163 124.163 119.914 0.143 0.000 2.358 91 V HA -0.250 4.078 4.120 0.347 0.000 0.246 91 V C 2.291 178.507 176.094 0.202 0.000 1.047 91 V CA 1.593 64.072 62.300 0.299 0.000 1.035 91 V CB -0.439 31.489 31.823 0.175 0.000 0.658 91 V HN 0.304 nan 8.190 nan 0.000 0.452 92 K N -1.113 119.376 120.400 0.148 0.000 2.032 92 K HA -0.251 4.277 4.320 0.347 0.000 0.209 92 K C 1.921 178.658 176.600 0.229 0.000 1.048 92 K CA 2.130 58.501 56.287 0.139 0.000 0.927 92 K CB -0.412 32.162 32.500 0.123 0.000 0.712 92 K HN 0.851 nan 8.250 nan 0.000 0.441 93 W N 1.386 122.751 121.300 0.109 0.000 2.363 93 W HA -0.228 4.644 4.660 0.353 0.000 0.296 93 W C 2.082 178.786 176.519 0.309 0.000 1.212 93 W CA 1.979 59.435 57.345 0.184 0.000 1.260 93 W CB -0.216 29.331 29.460 0.144 0.000 1.131 93 W HN 0.088 nan 8.180 nan 0.000 0.530 94 A N 0.694 123.785 122.820 0.451 0.000 1.873 94 A HA -0.190 4.338 4.320 0.347 0.000 0.215 94 A C 1.978 179.597 177.584 0.058 0.000 1.186 94 A CA 1.964 54.177 52.037 0.293 0.000 0.616 94 A CB -0.784 18.602 19.000 0.643 0.000 0.823 94 A HN 0.358 nan 8.150 nan 0.000 0.442 95 K N 0.278 120.672 120.400 -0.010 0.000 2.020 95 K HA -0.182 4.346 4.320 0.347 0.000 0.212 95 K C 2.476 179.152 176.600 0.126 0.000 1.050 95 K CA 1.982 58.181 56.287 -0.147 0.000 0.929 95 K CB -0.299 32.028 32.500 -0.289 0.000 0.714 95 K HN 0.672 nan 8.250 nan 0.000 0.443 96 S N -0.197 115.548 115.700 0.076 0.000 2.406 96 S HA -0.173 4.505 4.470 0.347 0.000 0.228 96 S C 1.801 176.353 174.600 -0.079 0.000 1.020 96 S CA 0.538 58.767 58.200 0.049 0.000 0.965 96 S CB -0.545 62.696 63.200 0.068 0.000 0.798 96 S HN 0.528 nan 8.310 nan 0.000 0.488 97 W N 0.969 122.034 121.300 -0.393 0.000 2.378 97 W HA -0.072 4.787 4.660 0.331 0.000 0.313 97 W C 2.217 178.525 176.519 -0.351 0.000 1.197 97 W CA 1.335 58.371 57.345 -0.513 0.000 1.304 97 W CB -0.585 28.250 29.460 -1.041 0.000 1.148 97 W HN 0.297 nan 8.180 nan 0.000 0.494 98 Y N 0.605 120.815 120.300 -0.149 0.000 2.128 98 Y HA -0.274 4.466 4.550 0.317 0.000 0.284 98 Y C 2.353 178.086 175.900 -0.279 0.000 1.154 98 Y CA 2.230 60.196 58.100 -0.224 0.000 1.149 98 Y CB -1.106 37.166 38.460 -0.314 0.000 0.976 98 Y HN -0.156 nan 8.280 nan 0.000 0.505 99 V N 0.822 120.550 119.914 -0.309 0.000 2.255 99 V HA -0.356 3.973 4.120 0.347 0.000 0.247 99 V C 2.045 177.860 176.094 -0.465 0.000 1.051 99 V CA 2.293 64.434 62.300 -0.265 0.000 1.018 99 V CB -0.790 31.075 31.823 0.069 0.000 0.641 99 V HN 0.406 nan 8.190 nan 0.000 0.445 100 N N -0.681 117.760 118.700 -0.432 0.000 2.348 100 N HA -0.185 4.764 4.740 0.347 0.000 0.185 100 N C 1.664 176.756 175.510 -0.697 0.000 1.019 100 N CA 1.471 54.194 53.050 -0.546 0.000 0.880 100 N CB -0.511 37.789 38.487 -0.311 0.000 0.965 100 N HN 0.728 nan 8.380 nan 0.000 0.437 101 H N 0.549 119.123 119.070 -0.827 0.000 2.299 101 H HA 0.133 4.889 4.556 0.333 0.000 0.302 101 H C 1.941 176.870 175.328 -0.665 0.000 1.078 101 H CA 1.476 57.025 56.048 -0.832 0.000 1.323 101 H CB -0.155 29.080 29.762 -0.878 0.000 1.381 101 H HN 0.086 nan 8.280 nan 0.000 0.498 102 I N 0.436 120.587 120.570 -0.699 0.000 2.099 102 I HA -0.279 4.100 4.170 0.347 0.000 0.239 102 I C 2.299 177.771 176.117 -1.075 0.000 1.066 102 I CA 1.650 62.543 61.300 -0.678 0.000 1.324 102 I CB -0.385 37.260 38.000 -0.591 0.000 1.037 102 I HN 0.263 nan 8.210 nan 0.000 0.401 103 K N 0.114 119.701 120.400 -1.354 0.000 2.147 103 K HA -0.153 4.375 4.320 0.347 0.000 0.205 103 K C 1.952 177.869 176.600 -1.139 0.000 1.049 103 K CA 2.036 57.202 56.287 -1.869 0.000 0.936 103 K CB -0.176 31.173 32.500 -1.919 0.000 0.722 103 K HN 0.559 nan 8.250 nan 0.000 0.446 104 T N -2.544 111.536 114.554 -0.790 0.000 2.969 104 T HA 0.173 4.732 4.350 0.347 0.000 0.250 104 T C 1.624 176.075 174.700 -0.416 0.000 1.021 104 T CA -0.244 61.606 62.100 -0.417 0.000 1.003 104 T CB 0.289 69.002 68.868 -0.259 0.000 1.040 104 T HN -0.120 nan 8.240 nan 0.000 0.492 105 I N 1.593 121.786 120.570 -0.628 0.000 3.194 105 I HA 0.219 4.597 4.170 0.347 0.000 0.271 105 I C 1.702 177.387 176.117 -0.719 0.000 1.150 105 I CA 0.634 61.504 61.300 -0.718 0.000 1.440 105 I CB -0.692 36.668 38.000 -1.067 0.000 1.276 105 I HN 0.104 nan 8.210 nan 0.000 0.457 106 D N 1.265 121.233 120.400 -0.720 0.000 2.117 106 D HA -0.123 4.725 4.640 0.347 0.000 0.198 106 D C 2.246 178.042 176.300 -0.839 0.000 0.982 106 D CA 1.256 54.872 54.000 -0.640 0.000 0.828 106 D CB -0.388 40.307 40.800 -0.175 0.000 0.967 106 D HN 0.240 nan 8.370 nan 0.000 0.464 107 F N 1.100 120.692 119.950 -0.597 0.000 2.287 107 F HA -0.166 4.560 4.527 0.331 0.000 0.301 107 F C 2.158 177.808 175.800 -0.251 0.000 1.069 107 F CA 0.537 58.315 58.000 -0.369 0.000 1.372 107 F CB 0.022 38.868 39.000 -0.256 0.000 1.056 107 F HN -0.061 nan 8.300 nan 0.000 0.523 108 K N -0.164 120.193 120.400 -0.072 0.000 2.283 108 K HA -0.188 4.341 4.320 0.347 0.000 0.202 108 K C 1.333 178.073 176.600 0.234 0.000 1.048 108 K CA 1.281 57.600 56.287 0.054 0.000 0.948 108 K CB -0.257 32.261 32.500 0.030 0.000 0.742 108 K HN 0.492 nan 8.250 nan 0.000 0.458 109 Y N 0.122 120.501 120.300 0.131 0.000 2.482 109 Y HA 0.284 5.033 4.550 0.333 0.000 0.270 109 Y C -0.197 175.801 175.900 0.164 0.000 1.152 109 Y CA -0.941 57.138 58.100 -0.035 0.000 1.292 109 Y CB -0.564 37.583 38.460 -0.521 0.000 1.070 109 Y HN -0.313 nan 8.280 nan 0.000 0.528 110 K N 1.754 122.421 120.400 0.444 0.000 2.466 110 K HA 0.207 4.735 4.320 0.347 0.000 0.278 110 K C 1.180 178.021 176.600 0.401 0.000 1.048 110 K CA 1.101 57.700 56.287 0.521 0.000 1.088 110 K CB -0.159 32.456 32.500 0.191 0.000 0.884 110 K HN 0.687 nan 8.250 nan 0.000 0.478 111 G N 2.963 112.039 108.800 0.460 0.000 2.179 111 G HA2 -0.320 3.848 3.960 0.347 0.000 0.260 111 G HA3 -0.320 3.848 3.960 0.347 0.000 0.260 111 G C 0.615 175.698 174.900 0.305 0.000 0.977 111 G CA 0.486 45.760 45.100 0.290 0.000 0.641 111 G HN 0.656 nan 8.290 nan 0.000 0.533 112 K N -0.400 120.219 120.400 0.364 0.000 2.402 112 K HA 0.444 4.973 4.320 0.347 0.000 0.204 112 K C 1.144 177.865 176.600 0.201 0.000 1.056 112 K CA 0.504 56.972 56.287 0.301 0.000 1.069 112 K CB 0.574 33.332 32.500 0.431 0.000 0.888 112 K HN 0.708 nan 8.250 nan 0.000 0.546 113 I N 0.000 120.620 120.570 0.083 0.000 2.984 113 I HA 0.000 4.378 4.170 0.347 0.000 0.288 113 I CA 0.000 61.241 61.300 -0.098 0.000 1.566 113 I CB 0.000 37.763 38.000 -0.396 0.000 1.214 113 I HN 0.000 nan 8.210 nan 0.000 0.494