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 2p8i_1_D DATA FIRST_RESID 0 DATA SEQUENCE GXTFRDTSAI ASWHAHVYFD ASSRDAAWTL REQIEAHWSG KLQLGRFHER DATA SEQUENCE PVGPHPXWSY QLAFTQEQFA DLVGWLTLNH GALDIFLHPN TGDALRDHRD DATA SEQUENCE AAVWIGHSHE LVLSALN 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 0 G HA2 0.000 nan 3.960 nan 0.000 0.244 0 G HA3 0.000 3.959 3.960 -0.002 0.000 0.244 0 G C 0.000 174.909 174.900 0.015 0.000 0.946 0 G CA 0.000 45.116 45.100 0.027 0.000 0.502 3 F N 2.710 122.657 119.950 -0.005 0.000 2.484 3 F HA 0.492 5.020 4.527 0.002 0.000 0.360 3 F C 1.400 177.193 175.800 -0.012 0.000 1.101 3 F CA -0.068 57.928 58.000 -0.007 0.000 1.251 3 F CB 0.645 39.643 39.000 -0.003 0.000 1.132 3 F HN 0.222 nan 8.300 nan 0.000 0.570 4 R N 1.829 122.394 120.500 0.109 0.000 2.778 4 R HA 0.345 4.684 4.340 -0.002 0.000 0.277 4 R C -0.955 175.383 176.300 0.063 0.000 0.977 4 R CA -1.085 55.047 56.100 0.053 0.000 0.950 4 R CB 1.488 31.782 30.300 -0.011 0.000 1.165 4 R HN 0.531 nan 8.270 nan 0.000 0.474 5 D N 0.206 120.626 120.400 0.034 0.000 2.348 5 D HA 0.037 4.676 4.640 -0.002 0.000 0.249 5 D C 1.077 177.375 176.300 -0.004 0.000 1.110 5 D CA 0.093 54.107 54.000 0.023 0.000 0.967 5 D CB 1.697 42.506 40.800 0.015 0.000 1.139 5 D HN 0.612 nan 8.370 nan 0.000 0.466 6 T N -2.643 111.909 114.554 -0.004 0.000 3.007 6 T HA -0.154 4.196 4.350 -0.002 0.000 0.270 6 T C 1.714 176.391 174.700 -0.038 0.000 1.107 6 T CA 1.095 63.181 62.100 -0.024 0.000 1.118 6 T CB -0.205 68.658 68.868 -0.010 0.000 0.889 6 T HN 0.328 nan 8.240 nan 0.000 0.506 7 S N 1.998 117.682 115.700 -0.026 0.000 2.465 7 S HA 0.036 4.505 4.470 -0.002 0.000 0.241 7 S C 2.313 176.880 174.600 -0.054 0.000 1.000 7 S CA 0.664 58.845 58.200 -0.032 0.000 0.964 7 S CB -0.819 62.370 63.200 -0.018 0.000 0.763 7 S HN 0.740 nan 8.310 nan 0.000 0.512 8 A N 1.262 124.043 122.820 -0.064 0.000 2.070 8 A HA 0.243 4.562 4.320 -0.002 0.000 0.220 8 A C 1.038 178.539 177.584 -0.139 0.000 1.159 8 A CA 0.524 52.508 52.037 -0.088 0.000 0.656 8 A CB -0.644 18.306 19.000 -0.083 0.000 0.800 8 A HN 0.635 nan 8.150 nan 0.000 0.453 9 I N -0.043 120.427 120.570 -0.168 0.000 2.322 9 I HA 0.229 4.398 4.170 -0.002 0.000 0.292 9 I C 1.371 177.360 176.117 -0.212 0.000 1.060 9 I CA -0.250 60.885 61.300 -0.275 0.000 1.309 9 I CB 1.511 39.295 38.000 -0.359 0.000 1.415 9 I HN 0.201 nan 8.210 nan 0.000 0.492 10 A N 4.874 127.560 122.820 -0.224 0.000 1.935 10 A HA 0.128 4.447 4.320 -0.002 0.000 0.214 10 A C 0.933 178.425 177.584 -0.154 0.000 1.178 10 A CA 1.200 53.145 52.037 -0.153 0.000 0.640 10 A CB -0.022 18.898 19.000 -0.133 0.000 0.825 10 A HN 0.746 nan 8.150 nan 0.000 0.447 11 S N -4.114 111.425 115.700 -0.269 0.000 2.656 11 S HA 0.541 5.010 4.470 -0.002 0.000 0.265 11 S C -1.720 172.586 174.600 -0.490 0.000 1.132 11 S CA -0.951 57.105 58.200 -0.240 0.000 0.819 11 S CB 0.205 63.305 63.200 -0.168 0.000 1.119 11 S HN 0.418 nan 8.310 nan 0.000 0.476 12 W N 0.065 121.002 121.300 -0.604 0.000 2.864 12 W HA 0.662 5.320 4.660 -0.002 0.000 0.343 12 W C -0.209 175.819 176.519 -0.818 0.000 1.109 12 W CA -0.409 56.449 57.345 -0.811 0.000 1.192 12 W CB 1.448 30.304 29.460 -1.007 0.000 1.426 12 W HN 0.737 nan 8.180 nan 0.000 0.529 13 H N 0.868 119.571 119.070 -0.612 0.000 2.495 13 H HA 0.745 5.300 4.556 -0.001 0.000 0.348 13 H C -0.550 174.536 175.328 -0.402 0.000 1.113 13 H CA -1.058 54.685 56.048 -0.509 0.000 1.195 13 H CB 1.850 31.352 29.762 -0.434 0.000 1.521 13 H HN 0.484 nan 8.280 nan 0.000 0.509 14 A N 2.993 125.746 122.820 -0.112 0.000 2.355 14 A HA 0.450 4.769 4.320 -0.002 0.000 0.324 14 A C -1.108 176.228 177.584 -0.413 0.000 1.117 14 A CA -0.690 51.244 52.037 -0.172 0.000 0.785 14 A CB 1.100 20.083 19.000 -0.028 0.000 1.254 14 A HN 0.798 nan 8.150 nan 0.000 0.453 15 H N 1.423 120.415 119.070 -0.131 0.000 2.823 15 H HA 0.309 4.864 4.556 -0.002 0.000 0.332 15 H C -1.060 174.190 175.328 -0.130 0.000 0.980 15 H CA -0.463 55.536 56.048 -0.081 0.000 1.286 15 H CB 1.609 31.384 29.762 0.023 0.000 1.541 15 H HN 0.385 nan 8.280 nan 0.000 0.521 16 V N 4.896 124.716 119.914 -0.157 0.000 2.470 16 V HA -0.022 4.097 4.120 -0.002 0.000 0.276 16 V C -0.135 176.115 176.094 0.259 0.000 1.040 16 V CA 0.010 62.227 62.300 -0.138 0.000 1.008 16 V CB -0.282 31.186 31.823 -0.591 0.000 0.990 16 V HN 0.500 nan 8.190 nan 0.000 0.477 17 Y N 6.155 126.546 120.300 0.152 0.000 2.387 17 Y HA 0.777 5.326 4.550 -0.001 0.000 0.330 17 Y C 0.086 176.169 175.900 0.306 0.000 1.133 17 Y CA -1.714 56.475 58.100 0.149 0.000 1.152 17 Y CB 1.558 40.022 38.460 0.007 0.000 1.215 17 Y HN 0.685 nan 8.280 nan 0.000 0.466 18 F N -0.529 119.496 119.950 0.125 0.000 0.000 18 F HA 0.706 5.232 4.527 -0.002 0.000 0.000 18 F C -1.619 174.075 175.800 -0.176 0.000 0.000 18 F CA -1.381 56.651 58.000 0.055 0.000 0.000 18 F CB 1.315 40.414 39.000 0.165 0.000 0.000 18 F HN 0.331 nan 8.300 nan 0.000 0.000 19 D N -0.413 119.846 120.400 -0.235 0.000 2.825 19 D HA 0.555 5.194 4.640 -0.002 0.000 0.327 19 D C 0.593 176.405 176.300 -0.814 0.000 1.277 19 D CA -0.171 53.207 54.000 -1.036 0.000 0.950 19 D CB 0.807 41.163 40.800 -0.740 0.000 1.438 19 D HN 0.825 nan 8.370 nan 0.000 0.526 20 A N 0.057 122.206 122.820 -1.118 0.000 1.948 20 A HA -0.144 4.175 4.320 -0.002 0.000 0.220 20 A C 2.026 179.566 177.584 -0.073 0.000 1.177 20 A CA 3.130 54.938 52.037 -0.382 0.000 0.636 20 A CB -1.332 17.566 19.000 -0.170 0.000 0.815 20 A HN 0.760 nan 8.150 nan 0.000 0.449 21 S N -0.129 115.506 115.700 -0.107 0.000 2.423 21 S HA -0.079 4.390 4.470 -0.002 0.000 0.231 21 S C 1.518 176.149 174.600 0.052 0.000 1.014 21 S CA 1.530 59.722 58.200 -0.013 0.000 0.965 21 S CB -0.509 62.673 63.200 -0.030 0.000 0.785 21 S HN 1.002 nan 8.310 nan 0.000 0.495 22 S N -0.199 115.557 115.700 0.093 0.000 2.663 22 S HA 0.380 4.849 4.470 -0.002 0.000 0.243 22 S C 1.291 176.043 174.600 0.253 0.000 1.009 22 S CA -0.518 57.781 58.200 0.166 0.000 0.988 22 S CB 0.012 63.321 63.200 0.182 0.000 0.896 22 S HN 0.483 nan 8.310 nan 0.000 0.502 23 R N 1.901 122.592 120.500 0.318 0.000 2.073 23 R HA -0.131 4.208 4.340 -0.002 0.000 0.234 23 R C 0.838 177.331 176.300 0.320 0.000 1.134 23 R CA 2.134 58.497 56.100 0.439 0.000 0.952 23 R CB -0.380 30.260 30.300 0.566 0.000 0.850 23 R HN 0.324 nan 8.270 nan 0.000 0.433 24 D N 0.294 120.833 120.400 0.230 0.000 2.117 24 D HA -0.105 4.535 4.640 -0.002 0.000 0.198 24 D C 1.762 178.179 176.300 0.196 0.000 0.982 24 D CA 1.476 55.589 54.000 0.189 0.000 0.828 24 D CB -0.307 40.566 40.800 0.121 0.000 0.967 24 D HN 0.379 nan 8.370 nan 0.000 0.464 25 A N 1.081 123.997 122.820 0.160 0.000 1.908 25 A HA -0.081 4.238 4.320 -0.002 0.000 0.218 25 A C 2.309 179.988 177.584 0.159 0.000 1.181 25 A CA 2.293 54.412 52.037 0.136 0.000 0.627 25 A CB -0.704 18.364 19.000 0.114 0.000 0.818 25 A HN 0.241 nan 8.150 nan 0.000 0.445 26 A N -1.491 121.427 122.820 0.163 0.000 1.930 26 A HA -0.156 4.163 4.320 -0.002 0.000 0.217 26 A C 2.103 179.859 177.584 0.287 0.000 1.175 26 A CA 1.281 53.424 52.037 0.176 0.000 0.627 26 A CB -0.817 18.001 19.000 -0.303 0.000 0.815 26 A HN 0.855 nan 8.150 nan 0.000 0.443 27 W N 1.190 122.505 121.300 0.026 0.000 2.379 27 W HA -0.153 4.507 4.660 -0.001 0.000 0.307 27 W C 1.819 178.255 176.519 -0.138 0.000 1.200 27 W CA 2.159 59.354 57.345 -0.250 0.000 1.297 27 W CB -0.661 28.585 29.460 -0.356 0.000 1.140 27 W HN 0.371 nan 8.180 nan 0.000 0.507 28 T N 2.201 116.817 114.554 0.104 0.000 2.665 28 T HA -0.285 4.064 4.350 -0.002 0.000 0.268 28 T C 1.735 176.425 174.700 -0.017 0.000 1.035 28 T CA 1.933 64.053 62.100 0.032 0.000 1.151 28 T CB -0.801 68.123 68.868 0.094 0.000 0.862 28 T HN 0.110 nan 8.240 nan 0.000 0.438 29 L N 1.116 122.371 121.223 0.054 0.000 2.083 29 L HA 0.049 4.388 4.340 -0.002 0.000 0.209 29 L C 2.472 179.396 176.870 0.089 0.000 1.083 29 L CA 1.722 56.632 54.840 0.116 0.000 0.752 29 L CB -0.530 41.642 42.059 0.189 0.000 0.899 29 L HN 0.067 nan 8.230 nan 0.000 0.433 30 R N -0.747 119.704 120.500 -0.081 0.000 2.081 30 R HA -0.138 4.201 4.340 -0.002 0.000 0.235 30 R C 2.107 178.187 176.300 -0.366 0.000 1.131 30 R CA 1.389 57.276 56.100 -0.355 0.000 0.960 30 R CB -0.091 29.643 30.300 -0.944 0.000 0.856 30 R HN 0.402 nan 8.270 nan 0.000 0.436 31 E N 0.217 120.151 120.200 -0.444 0.000 2.106 31 E HA -0.235 4.114 4.350 -0.002 0.000 0.192 31 E C 1.869 178.412 176.600 -0.096 0.000 0.984 31 E CA 1.105 57.309 56.400 -0.326 0.000 0.806 31 E CB -0.051 29.459 29.700 -0.317 0.000 0.750 31 E HN 0.354 nan 8.360 nan 0.000 0.458 32 Q N 0.785 120.594 119.800 0.015 0.000 2.119 32 Q HA -0.045 4.294 4.340 -0.002 0.000 0.201 32 Q C 2.073 178.227 176.000 0.257 0.000 0.972 32 Q CA 0.939 56.844 55.803 0.170 0.000 0.847 32 Q CB -0.162 28.736 28.738 0.267 0.000 0.903 32 Q HN 0.264 nan 8.270 nan 0.000 0.433 33 I N 0.226 120.940 120.570 0.240 0.000 2.202 33 I HA -0.258 3.911 4.170 -0.002 0.000 0.242 33 I C 2.126 178.345 176.117 0.170 0.000 1.091 33 I CA 1.377 62.823 61.300 0.244 0.000 1.368 33 I CB -0.296 37.782 38.000 0.130 0.000 1.058 33 I HN 0.304 nan 8.210 nan 0.000 0.410 34 E N 0.924 121.140 120.200 0.026 0.000 2.070 34 E HA -0.283 4.066 4.350 -0.002 0.000 0.197 34 E C 2.321 178.918 176.600 -0.005 0.000 1.004 34 E CA 1.594 57.980 56.400 -0.024 0.000 0.805 34 E CB -0.242 29.390 29.700 -0.114 0.000 0.744 34 E HN 0.544 nan 8.360 nan 0.000 0.451 35 A N 0.710 123.532 122.820 0.003 0.000 1.898 35 A HA -0.197 4.123 4.320 -0.002 0.000 0.216 35 A C 2.034 179.581 177.584 -0.062 0.000 1.181 35 A CA 1.515 53.542 52.037 -0.017 0.000 0.620 35 A CB -0.475 18.532 19.000 0.012 0.000 0.819 35 A HN 0.328 nan 8.150 nan 0.000 0.442 36 H N -3.408 115.554 119.070 -0.181 0.000 2.547 36 H HA 0.015 4.570 4.556 -0.002 0.000 0.272 36 H C 0.356 175.208 175.328 -0.793 0.000 0.971 36 H CA 0.659 56.410 56.048 -0.496 0.000 1.245 36 H CB 0.199 29.593 29.762 -0.613 0.000 1.440 36 H HN 0.648 nan 8.280 nan 0.000 0.540 37 W N 1.838 123.010 121.300 -0.213 0.000 2.467 37 W HA 0.179 4.838 4.660 -0.002 0.000 0.369 37 W C 0.321 176.742 176.519 -0.163 0.000 0.938 37 W CA -0.287 56.920 57.345 -0.230 0.000 1.845 37 W CB 0.232 29.539 29.460 -0.255 0.000 1.167 37 W HN -0.012 nan 8.180 nan 0.000 0.558 38 S N 0.310 116.004 115.700 -0.011 0.000 2.546 38 S HA 0.413 4.882 4.470 -0.002 0.000 0.290 38 S C 1.318 175.907 174.600 -0.017 0.000 1.290 38 S CA 0.703 58.895 58.200 -0.013 0.000 1.069 38 S CB 0.868 64.040 63.200 -0.047 0.000 0.846 38 S HN 0.798 nan 8.310 nan 0.000 0.495 39 G N 2.854 111.660 108.800 0.011 0.000 2.241 39 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.244 39 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.244 39 G C 0.729 175.654 174.900 0.043 0.000 0.998 39 G CA 0.261 45.368 45.100 0.012 0.000 0.621 39 G HN 0.623 nan 8.290 nan 0.000 0.519 40 K N -0.286 120.163 120.400 0.083 0.000 2.355 40 K HA 0.465 4.784 4.320 -0.002 0.000 0.198 40 K C 0.643 177.323 176.600 0.133 0.000 1.039 40 K CA 1.101 57.467 56.287 0.132 0.000 1.075 40 K CB 0.809 33.455 32.500 0.243 0.000 0.870 40 K HN 0.860 nan 8.250 nan 0.000 0.540 41 L N -2.439 118.846 121.223 0.104 0.000 2.720 41 L HA 0.448 4.787 4.340 -0.002 0.000 0.261 41 L C -1.635 175.278 176.870 0.072 0.000 1.046 41 L CA -1.099 53.799 54.840 0.097 0.000 0.886 41 L CB 1.338 43.410 42.059 0.022 0.000 1.493 41 L HN -0.260 nan 8.230 nan 0.000 0.407 42 Q N 1.253 121.099 119.800 0.075 0.000 2.314 42 Q HA 0.713 5.052 4.340 -0.002 0.000 0.259 42 Q C -1.239 174.782 176.000 0.035 0.000 0.951 42 Q CA -0.424 55.408 55.803 0.049 0.000 0.909 42 Q CB 2.189 30.956 28.738 0.047 0.000 1.236 42 Q HN 0.592 nan 8.270 nan 0.000 0.444 43 L N 2.341 123.581 121.223 0.028 0.000 2.287 43 L HA 0.696 5.035 4.340 -0.002 0.000 0.287 43 L C 0.069 176.965 176.870 0.043 0.000 1.022 43 L CA 0.053 54.913 54.840 0.034 0.000 0.814 43 L CB 1.062 43.122 42.059 0.001 0.000 1.217 43 L HN 0.642 nan 8.230 nan 0.000 0.420 44 G N 3.803 112.653 108.800 0.084 0.000 2.543 44 G HA2 0.448 4.407 3.960 -0.002 0.000 0.290 44 G HA3 0.448 4.407 3.960 -0.002 0.000 0.290 44 G C -0.370 174.585 174.900 0.091 0.000 1.310 44 G CA -0.827 44.335 45.100 0.104 0.000 1.025 44 G HN 0.611 nan 8.290 nan 0.000 0.502 45 R N -1.493 119.026 120.500 0.031 0.000 2.679 45 R HA 0.252 4.591 4.340 -0.002 0.000 0.269 45 R C -0.525 175.739 176.300 -0.060 0.000 1.076 45 R CA -0.340 55.721 56.100 -0.064 0.000 1.160 45 R CB 0.319 30.515 30.300 -0.173 0.000 1.054 45 R HN 0.324 nan 8.270 nan 0.000 0.507 46 F N 3.679 123.588 119.950 -0.068 0.000 2.405 46 F HA 0.135 4.661 4.527 -0.002 0.000 0.358 46 F C -0.131 175.739 175.800 0.118 0.000 1.151 46 F CA -0.174 57.927 58.000 0.167 0.000 1.161 46 F CB 0.073 39.256 39.000 0.305 0.000 1.245 46 F HN 0.360 nan 8.300 nan 0.000 0.545 47 H N 5.928 125.091 119.070 0.155 0.000 2.705 47 H HA 0.136 4.691 4.556 -0.002 0.000 0.291 47 H C 0.121 175.287 175.328 -0.269 0.000 1.085 47 H CA -0.135 55.899 56.048 -0.022 0.000 1.357 47 H CB 0.676 30.434 29.762 -0.008 0.000 1.419 47 H HN 0.671 nan 8.280 nan 0.000 0.462 48 E N 3.873 123.884 120.200 -0.315 0.000 2.336 48 E HA 0.093 4.442 4.350 -0.002 0.000 0.214 48 E C 0.337 175.943 176.600 -1.656 0.000 1.144 48 E CA -0.237 55.586 56.400 -0.963 0.000 1.294 48 E CB 0.340 29.666 29.700 -0.624 0.000 1.263 48 E HN 0.592 nan 8.360 nan 0.000 0.439 49 R N -1.344 118.546 120.500 -1.018 0.000 2.716 49 R HA 0.449 4.788 4.340 -0.002 0.000 0.271 49 R C -3.296 172.856 176.300 -0.246 0.000 1.028 49 R CA -2.232 53.458 56.100 -0.684 0.000 0.883 49 R CB 0.278 30.371 30.300 -0.346 0.000 1.250 49 R HN -0.251 nan 8.270 nan 0.000 0.465 50 P HA 0.048 nan 4.420 nan 0.000 0.267 50 P C -0.609 176.648 177.300 -0.071 0.000 1.209 50 P CA -0.360 62.717 63.100 -0.039 0.000 0.763 50 P CB 0.945 32.637 31.700 -0.012 0.000 0.816 51 V N 0.457 120.329 119.914 -0.071 0.000 2.914 51 V HA 0.911 5.030 4.120 -0.002 0.000 0.314 51 V C 0.644 176.714 176.094 -0.041 0.000 1.084 51 V CA 0.110 62.356 62.300 -0.089 0.000 0.963 51 V CB 1.150 32.833 31.823 -0.235 0.000 1.025 51 V HN 0.875 nan 8.190 nan 0.000 0.432 52 G N 3.871 112.627 108.800 -0.075 0.000 2.611 52 G HA2 -0.222 3.737 3.960 -0.002 0.000 0.301 52 G HA3 -0.222 3.737 3.960 -0.002 0.000 0.301 52 G C -1.047 173.721 174.900 -0.220 0.000 1.233 52 G CA 0.496 45.523 45.100 -0.122 0.000 0.993 52 G HN 1.037 nan 8.290 nan 0.000 0.553 53 P HA 0.157 nan 4.420 nan 0.000 0.255 53 P C -0.056 177.003 177.300 -0.401 0.000 1.248 53 P CA 0.472 63.322 63.100 -0.415 0.000 0.807 53 P CB -0.008 31.381 31.700 -0.518 0.000 1.150 54 H N 2.334 121.359 119.070 -0.075 0.000 2.604 54 H HA 0.286 4.841 4.556 -0.002 0.000 0.306 54 H C -1.942 173.257 175.328 -0.214 0.000 1.075 54 H CA -2.018 53.957 56.048 -0.122 0.000 1.357 54 H CB 0.703 30.382 29.762 -0.139 0.000 1.426 54 H HN 0.235 nan 8.280 nan 0.000 0.470 58 S N 0.469 115.996 115.700 -0.289 0.000 2.587 58 S HA 0.883 5.352 4.470 -0.002 0.000 0.269 58 S C -1.710 173.210 174.600 0.534 0.000 1.154 58 S CA -0.968 57.345 58.200 0.189 0.000 0.824 58 S CB 2.411 65.672 63.200 0.101 0.000 1.118 58 S HN 0.940 nan 8.310 nan 0.000 0.462 59 Y N -0.732 119.860 120.300 0.487 0.000 2.562 59 Y HA 0.767 5.316 4.550 -0.001 0.000 0.345 59 Y C -0.735 175.308 175.900 0.240 0.000 1.045 59 Y CA -1.035 57.293 58.100 0.380 0.000 1.028 59 Y CB 1.257 39.927 38.460 0.351 0.000 1.297 59 Y HN 0.930 nan 8.280 nan 0.000 0.463 60 Q N 2.732 122.706 119.800 0.289 0.000 2.245 60 Q HA 0.684 5.023 4.340 -0.002 0.000 0.256 60 Q C -1.830 174.152 176.000 -0.031 0.000 0.942 60 Q CA -0.901 54.846 55.803 -0.094 0.000 0.896 60 Q CB 1.465 30.121 28.738 -0.137 0.000 1.272 60 Q HN 0.903 nan 8.270 nan 0.000 0.442 61 L N 2.551 123.690 121.223 -0.140 0.000 2.333 61 L HA 0.765 5.104 4.340 -0.002 0.000 0.280 61 L C -0.762 176.138 176.870 0.051 0.000 1.004 61 L CA -0.943 53.895 54.840 -0.004 0.000 0.820 61 L CB 1.817 43.869 42.059 -0.012 0.000 1.247 61 L HN 0.668 nan 8.230 nan 0.000 0.416 62 A N 4.089 126.955 122.820 0.076 0.000 2.318 62 A HA 0.942 5.261 4.320 -0.002 0.000 0.324 62 A C -0.912 176.818 177.584 0.244 0.000 1.170 62 A CA -0.331 51.764 52.037 0.098 0.000 0.810 62 A CB 0.827 19.827 19.000 -0.001 0.000 1.198 62 A HN 0.636 nan 8.150 nan 0.000 0.484 63 F N -0.534 119.471 119.950 0.091 0.000 2.741 63 F HA 0.751 5.277 4.527 -0.002 0.000 0.313 63 F C -0.037 175.852 175.800 0.148 0.000 1.153 63 F CA -0.455 57.587 58.000 0.070 0.000 0.931 63 F CB 0.827 39.814 39.000 -0.021 0.000 1.335 63 F HN 0.595 nan 8.300 nan 0.000 0.460 64 T N -1.920 112.796 114.554 0.269 0.000 2.881 64 T HA 0.292 4.641 4.350 -0.002 0.000 0.278 64 T C 0.694 175.594 174.700 0.333 0.000 0.982 64 T CA -0.011 62.214 62.100 0.208 0.000 0.989 64 T CB 1.613 70.578 68.868 0.162 0.000 1.058 64 T HN 0.910 nan 8.240 nan 0.000 0.529 65 Q N 0.246 120.216 119.800 0.284 0.000 2.181 65 Q HA -0.139 4.200 4.340 -0.002 0.000 0.205 65 Q C 1.693 177.842 176.000 0.247 0.000 0.980 65 Q CA 1.851 57.837 55.803 0.304 0.000 0.862 65 Q CB -0.496 28.357 28.738 0.192 0.000 0.905 65 Q HN 0.831 nan 8.270 nan 0.000 0.429 66 E N -0.618 119.699 120.200 0.196 0.000 2.418 66 E HA -0.075 4.274 4.350 -0.002 0.000 0.197 66 E C 1.283 177.987 176.600 0.173 0.000 1.026 66 E CA 0.620 57.114 56.400 0.157 0.000 0.862 66 E CB 0.153 29.921 29.700 0.113 0.000 0.799 66 E HN 0.353 nan 8.360 nan 0.000 0.518 67 Q N -1.223 118.715 119.800 0.229 0.000 2.282 67 Q HA 0.126 4.465 4.340 -0.002 0.000 0.206 67 Q C 1.323 177.384 176.000 0.101 0.000 0.878 67 Q CA -0.132 55.774 55.803 0.172 0.000 0.944 67 Q CB 0.093 28.926 28.738 0.159 0.000 1.100 67 Q HN 0.318 nan 8.270 nan 0.000 0.509 68 F N 1.968 121.959 119.950 0.067 0.000 2.046 68 F HA -0.276 4.250 4.527 -0.001 0.000 0.297 68 F C 2.130 177.835 175.800 -0.157 0.000 1.123 68 F CA 1.957 59.916 58.000 -0.068 0.000 1.199 68 F CB -0.143 38.744 39.000 -0.188 0.000 0.972 68 F HN 0.087 nan 8.300 nan 0.000 0.474 69 A N -0.145 122.763 122.820 0.146 0.000 1.902 69 A HA -0.194 4.125 4.320 -0.002 0.000 0.217 69 A C 1.984 179.542 177.584 -0.043 0.000 1.181 69 A CA 2.019 54.090 52.037 0.056 0.000 0.623 69 A CB -1.046 18.032 19.000 0.130 0.000 0.818 69 A HN 0.480 nan 8.150 nan 0.000 0.443 70 D N -0.563 119.850 120.400 0.022 0.000 2.097 70 D HA -0.105 4.534 4.640 -0.002 0.000 0.197 70 D C 1.888 178.256 176.300 0.114 0.000 0.984 70 D CA 1.357 55.437 54.000 0.134 0.000 0.826 70 D CB -0.389 40.553 40.800 0.238 0.000 0.973 70 D HN 0.355 nan 8.370 nan 0.000 0.460 71 L N 0.460 121.538 121.223 -0.242 0.000 2.044 71 L HA -0.078 4.261 4.340 -0.002 0.000 0.205 71 L C 2.149 178.696 176.870 -0.540 0.000 1.075 71 L CA 1.266 55.653 54.840 -0.754 0.000 0.747 71 L CB -0.406 40.847 42.059 -1.343 0.000 0.903 71 L HN -0.144 nan 8.230 nan 0.000 0.435 72 V N 0.205 119.726 119.914 -0.656 0.000 2.427 72 V HA -0.129 3.990 4.120 -0.002 0.000 0.248 72 V C 2.623 178.536 176.094 -0.302 0.000 1.051 72 V CA 1.545 63.475 62.300 -0.616 0.000 1.048 72 V CB -1.551 29.620 31.823 -1.088 0.000 0.666 72 V HN 0.622 nan 8.190 nan 0.000 0.456 73 G N -1.185 107.508 108.800 -0.179 0.000 2.446 73 G HA2 -0.338 3.621 3.960 -0.002 0.000 0.217 73 G HA3 -0.338 3.621 3.960 -0.002 0.000 0.217 73 G C 1.400 176.329 174.900 0.048 0.000 1.168 73 G CA 0.889 45.966 45.100 -0.038 0.000 0.771 73 G HN 0.640 nan 8.290 nan 0.000 0.551 74 W N 1.082 122.334 121.300 -0.080 0.000 2.381 74 W HA 0.049 4.708 4.660 -0.002 0.000 0.301 74 W C 2.351 178.830 176.519 -0.068 0.000 1.205 74 W CA 1.063 58.399 57.345 -0.016 0.000 1.285 74 W CB -0.174 29.387 29.460 0.168 0.000 1.133 74 W HN 0.120 nan 8.180 nan 0.000 0.521 75 L N -0.160 121.134 121.223 0.119 0.000 2.083 75 L HA -0.235 4.104 4.340 -0.002 0.000 0.209 75 L C 2.423 179.234 176.870 -0.099 0.000 1.083 75 L CA 1.737 56.544 54.840 -0.055 0.000 0.752 75 L CB -1.317 40.676 42.059 -0.110 0.000 0.899 75 L HN -0.077 nan 8.230 nan 0.000 0.433 76 T N 0.326 114.816 114.554 -0.106 0.000 2.746 76 T HA -0.159 4.190 4.350 -0.002 0.000 0.267 76 T C 1.921 176.642 174.700 0.035 0.000 1.039 76 T CA 1.286 63.350 62.100 -0.061 0.000 1.142 76 T CB -0.221 68.598 68.868 -0.081 0.000 0.866 76 T HN 0.216 nan 8.240 nan 0.000 0.444 77 L N 0.737 121.915 121.223 -0.075 0.000 2.217 77 L HA 0.048 4.387 4.340 -0.002 0.000 0.211 77 L C 1.695 178.443 176.870 -0.204 0.000 1.107 77 L CA 0.840 55.608 54.840 -0.122 0.000 0.783 77 L CB -0.222 41.745 42.059 -0.153 0.000 0.919 77 L HN 0.221 nan 8.230 nan 0.000 0.442 78 N N -1.450 117.063 118.700 -0.312 0.000 2.170 78 N HA 0.015 4.754 4.740 -0.002 0.000 0.222 78 N C 1.144 176.477 175.510 -0.294 0.000 1.218 78 N CA 0.088 52.865 53.050 -0.455 0.000 0.889 78 N CB 0.241 38.136 38.487 -0.986 0.000 1.083 78 N HN 0.522 nan 8.380 nan 0.000 0.520 79 H N -0.847 118.087 119.070 -0.227 0.000 2.555 79 H HA 0.326 4.881 4.556 -0.001 0.000 0.269 79 H C 1.407 176.705 175.328 -0.051 0.000 0.988 79 H CA 0.649 56.627 56.048 -0.115 0.000 1.178 79 H CB 0.081 29.803 29.762 -0.067 0.000 1.373 79 H HN 0.087 nan 8.280 nan 0.000 0.588 80 G N 0.943 109.440 108.800 -0.504 0.000 2.622 80 G HA2 -0.441 3.518 3.960 -0.002 0.000 0.307 80 G HA3 -0.441 3.518 3.960 -0.002 0.000 0.307 80 G C 1.106 175.722 174.900 -0.474 0.000 1.226 80 G CA 1.011 45.879 45.100 -0.386 0.000 0.997 80 G HN 1.073 nan 8.290 nan 0.000 0.551 81 A N -0.399 122.332 122.820 -0.148 0.000 2.345 81 A HA 0.668 4.987 4.320 -0.002 0.000 0.225 81 A C 0.932 178.616 177.584 0.167 0.000 1.243 81 A CA 0.249 52.290 52.037 0.007 0.000 0.875 81 A CB -0.115 18.912 19.000 0.046 0.000 0.929 81 A HN 0.687 nan 8.150 nan 0.000 0.502 82 L N 1.739 123.087 121.223 0.208 0.000 2.315 82 L HA 0.210 4.549 4.340 -0.002 0.000 0.283 82 L C -0.699 176.432 176.870 0.434 0.000 1.089 82 L CA -0.720 54.311 54.840 0.318 0.000 0.833 82 L CB 0.592 42.810 42.059 0.265 0.000 1.170 82 L HN 0.153 nan 8.230 nan 0.000 0.442 83 D N 4.450 125.095 120.400 0.408 0.000 2.414 83 D HA 0.348 4.987 4.640 -0.002 0.000 0.242 83 D C -0.058 176.388 176.300 0.243 0.000 1.129 83 D CA 0.431 54.664 54.000 0.387 0.000 0.885 83 D CB 1.581 42.711 40.800 0.550 0.000 1.198 83 D HN 0.269 nan 8.370 nan 0.000 0.437 84 I N 2.069 122.722 120.570 0.138 0.000 2.447 84 I HA 0.178 4.347 4.170 -0.002 0.000 0.287 84 I C -0.580 175.522 176.117 -0.025 0.000 1.023 84 I CA -1.048 60.243 61.300 -0.014 0.000 1.083 84 I CB 1.506 39.449 38.000 -0.096 0.000 1.245 84 I HN 0.129 nan 8.210 nan 0.000 0.434 85 F N 8.230 127.899 119.950 -0.467 0.000 2.411 85 F HA 0.664 5.190 4.527 -0.002 0.000 0.350 85 F C -1.242 174.339 175.800 -0.365 0.000 1.114 85 F CA -0.742 56.783 58.000 -0.792 0.000 1.135 85 F CB 0.701 39.113 39.000 -0.980 0.000 1.120 85 F HN 0.189 nan 8.300 nan 0.000 0.495 86 L N 6.329 127.122 121.223 -0.716 0.000 2.381 86 L HA 0.550 4.889 4.340 -0.002 0.000 0.268 86 L C -1.117 175.448 176.870 -0.509 0.000 0.997 86 L CA -0.663 53.881 54.840 -0.494 0.000 0.818 86 L CB 2.264 44.256 42.059 -0.113 0.000 1.310 86 L HN 0.802 nan 8.230 nan 0.000 0.416 87 H N 0.206 119.040 119.070 -0.394 0.000 3.046 87 H HA 0.695 5.250 4.556 -0.002 0.000 0.363 87 H C -3.132 171.927 175.328 -0.447 0.000 1.203 87 H CA -2.077 53.755 56.048 -0.360 0.000 1.169 87 H CB 1.947 31.354 29.762 -0.592 0.000 1.851 87 H HN 0.266 nan 8.280 nan 0.000 0.546 88 P HA 0.148 nan 4.420 nan 0.000 0.276 88 P C -0.812 176.132 177.300 -0.594 0.000 1.252 88 P CA -0.563 61.776 63.100 -1.269 0.000 0.802 88 P CB 0.981 31.868 31.700 -1.354 0.000 1.035 89 N N 0.716 119.052 118.700 -0.608 0.000 2.476 89 N HA 0.196 4.935 4.740 -0.002 0.000 0.257 89 N C 0.713 176.043 175.510 -0.299 0.000 0.970 89 N CA -0.135 52.702 53.050 -0.356 0.000 0.938 89 N CB 1.049 39.308 38.487 -0.379 0.000 1.144 89 N HN 0.450 nan 8.380 nan 0.000 0.500 90 T N -2.327 112.100 114.554 -0.210 0.000 3.040 90 T HA 0.308 4.657 4.350 -0.002 0.000 0.266 90 T C 1.063 175.698 174.700 -0.109 0.000 1.005 90 T CA 0.363 62.362 62.100 -0.169 0.000 0.906 90 T CB 0.351 69.123 68.868 -0.159 0.000 1.082 90 T HN 0.556 nan 8.240 nan 0.000 0.531 91 G N 1.037 109.782 108.800 -0.091 0.000 2.184 91 G HA2 -0.129 3.830 3.960 -0.002 0.000 0.206 91 G HA3 -0.129 3.830 3.960 -0.002 0.000 0.206 91 G C -0.351 174.524 174.900 -0.042 0.000 0.995 91 G CA 0.004 45.069 45.100 -0.058 0.000 0.651 91 G HN 0.671 nan 8.290 nan 0.000 0.511 92 D N 0.204 120.578 120.400 -0.043 0.000 2.346 92 D HA 0.696 5.335 4.640 -0.002 0.000 0.255 92 D C 1.271 177.564 176.300 -0.011 0.000 1.276 92 D CA 0.475 54.458 54.000 -0.029 0.000 0.941 92 D CB 0.748 41.527 40.800 -0.035 0.000 1.199 92 D HN 0.364 nan 8.370 nan 0.000 0.537 93 A N 3.305 126.129 122.820 0.006 0.000 1.877 93 A HA -0.161 4.159 4.320 -0.002 0.000 0.216 93 A C 1.883 179.515 177.584 0.080 0.000 1.186 93 A CA 1.082 53.154 52.037 0.058 0.000 0.620 93 A CB -0.357 18.651 19.000 0.013 0.000 0.822 93 A HN 0.537 nan 8.150 nan 0.000 0.443 94 L N -0.192 121.027 121.223 -0.006 0.000 2.027 94 L HA -0.095 4.244 4.340 -0.002 0.000 0.206 94 L C 2.459 179.343 176.870 0.023 0.000 1.074 94 L CA 2.410 57.239 54.840 -0.019 0.000 0.745 94 L CB -0.675 41.360 42.059 -0.040 0.000 0.898 94 L HN 0.468 nan 8.230 nan 0.000 0.433 95 R N -0.592 119.911 120.500 0.006 0.000 2.091 95 R HA -0.185 4.154 4.340 -0.002 0.000 0.238 95 R C 1.896 178.198 176.300 0.004 0.000 1.136 95 R CA 1.927 58.026 56.100 -0.001 0.000 0.959 95 R CB -0.359 29.928 30.300 -0.022 0.000 0.856 95 R HN 0.444 nan 8.270 nan 0.000 0.437 96 D N -0.540 119.856 120.400 -0.008 0.000 2.117 96 D HA -0.150 4.489 4.640 -0.002 0.000 0.197 96 D C 1.828 178.085 176.300 -0.071 0.000 0.987 96 D CA 1.480 55.441 54.000 -0.064 0.000 0.829 96 D CB -0.342 40.395 40.800 -0.105 0.000 0.961 96 D HN 0.454 nan 8.370 nan 0.000 0.460 97 H N -0.223 118.780 119.070 -0.113 0.000 2.403 97 H HA 0.114 4.669 4.556 -0.001 0.000 0.298 97 H C 2.106 177.469 175.328 0.058 0.000 1.059 97 H CA 0.993 57.033 56.048 -0.013 0.000 1.363 97 H CB 0.181 29.900 29.762 -0.072 0.000 1.410 97 H HN -0.035 nan 8.280 nan 0.000 0.528 98 R N 0.319 120.906 120.500 0.145 0.000 2.073 98 R HA -0.093 4.246 4.340 -0.002 0.000 0.229 98 R C 0.481 176.839 176.300 0.096 0.000 1.120 98 R CA 1.791 57.950 56.100 0.099 0.000 0.967 98 R CB 0.336 30.667 30.300 0.051 0.000 0.862 98 R HN 0.282 nan 8.270 nan 0.000 0.436 99 D N -1.457 118.985 120.400 0.069 0.000 2.454 99 D HA 0.142 4.781 4.640 -0.002 0.000 0.214 99 D C 0.020 176.353 176.300 0.054 0.000 1.088 99 D CA 0.513 54.543 54.000 0.050 0.000 0.855 99 D CB 1.317 42.123 40.800 0.010 0.000 1.025 99 D HN 0.250 nan 8.370 nan 0.000 0.502 100 A N 0.389 123.241 122.820 0.054 0.000 2.676 100 A HA 0.644 4.963 4.320 -0.002 0.000 0.297 100 A C 0.538 178.176 177.584 0.090 0.000 1.132 100 A CA -0.316 51.744 52.037 0.038 0.000 0.972 100 A CB 0.024 18.994 19.000 -0.050 0.000 1.197 100 A HN 0.063 nan 8.150 nan 0.000 0.524 101 A N 0.162 123.086 122.820 0.174 0.000 2.440 101 A HA 0.580 4.899 4.320 -0.002 0.000 0.251 101 A C -0.051 177.603 177.584 0.116 0.000 1.089 101 A CA 0.139 52.304 52.037 0.214 0.000 0.779 101 A CB 0.246 19.485 19.000 0.398 0.000 1.022 101 A HN 0.626 nan 8.150 nan 0.000 0.492 102 V N 1.323 121.187 119.914 -0.082 0.000 2.823 102 V HA 0.610 4.729 4.120 -0.002 0.000 0.312 102 V C -1.046 174.873 176.094 -0.293 0.000 1.072 102 V CA -0.469 61.816 62.300 -0.025 0.000 0.937 102 V CB 1.758 33.648 31.823 0.113 0.000 1.013 102 V HN 0.980 nan 8.190 nan 0.000 0.430 103 W N 2.958 124.339 121.300 0.135 0.000 2.900 103 W HA 0.707 5.366 4.660 -0.002 0.000 0.336 103 W C -0.727 175.780 176.519 -0.020 0.000 1.064 103 W CA -0.400 57.001 57.345 0.093 0.000 1.237 103 W CB 1.554 31.090 29.460 0.126 0.000 1.391 103 W HN 0.319 nan 8.180 nan 0.000 0.468 104 I N 4.364 124.995 120.570 0.102 0.000 2.297 104 I HA 0.598 4.767 4.170 -0.002 0.000 0.291 104 I C 0.968 177.006 176.117 -0.131 0.000 1.033 104 I CA 0.544 61.757 61.300 -0.146 0.000 1.253 104 I CB 0.430 38.199 38.000 -0.384 0.000 1.396 104 I HN 0.801 nan 8.210 nan 0.000 0.476 105 G N 5.575 114.318 108.800 -0.095 0.000 3.035 105 G HA2 -0.177 3.782 3.960 -0.002 0.000 0.242 105 G HA3 -0.177 3.782 3.960 -0.002 0.000 0.242 105 G C -0.481 174.251 174.900 -0.281 0.000 1.524 105 G CA -0.490 44.548 45.100 -0.104 0.000 1.038 105 G HN 0.631 nan 8.290 nan 0.000 0.561 106 H N 0.930 120.077 119.070 0.128 0.000 2.524 106 H HA 0.694 5.249 4.556 -0.001 0.000 0.353 106 H C 0.598 175.794 175.328 -0.219 0.000 1.136 106 H CA -0.010 56.012 56.048 -0.042 0.000 1.193 106 H CB 1.759 31.458 29.762 -0.106 0.000 1.558 106 H HN 0.749 nan 8.280 nan 0.000 0.515 107 S N 2.111 117.520 115.700 -0.486 0.000 2.603 107 S HA 0.274 4.743 4.470 -0.002 0.000 0.268 107 S C -0.356 173.607 174.600 -1.061 0.000 1.317 107 S CA -0.678 56.643 58.200 -1.465 0.000 1.012 107 S CB 0.689 63.084 63.200 -1.343 0.000 0.926 107 S HN 0.676 nan 8.310 nan 0.000 0.539 108 H N 0.211 118.461 119.070 -1.366 0.000 2.690 108 H HA 0.317 4.872 4.556 -0.002 0.000 0.368 108 H C -0.609 174.566 175.328 -0.254 0.000 1.150 108 H CA -0.748 55.014 56.048 -0.477 0.000 1.174 108 H CB 1.440 31.156 29.762 -0.075 0.000 1.684 108 H HN 0.677 nan 8.280 nan 0.000 0.538 109 E N 3.003 123.191 120.200 -0.021 0.000 2.220 109 E HA 0.095 4.444 4.350 -0.002 0.000 0.272 109 E C 0.136 176.776 176.600 0.066 0.000 1.099 109 E CA -0.152 56.257 56.400 0.016 0.000 0.907 109 E CB 0.736 30.427 29.700 -0.015 0.000 1.022 109 E HN 0.323 nan 8.360 nan 0.000 0.428 110 L N 1.753 123.020 121.223 0.075 0.000 2.436 110 L HA 0.088 4.427 4.340 -0.002 0.000 0.265 110 L C 0.666 177.521 176.870 -0.025 0.000 1.168 110 L CA -0.646 54.208 54.840 0.024 0.000 0.815 110 L CB 0.596 42.639 42.059 -0.026 0.000 1.109 110 L HN 0.215 nan 8.230 nan 0.000 0.462 111 V N 4.260 124.132 119.914 -0.070 0.000 2.055 111 V HA -0.003 4.116 4.120 -0.002 0.000 0.248 111 V C 1.394 177.419 176.094 -0.114 0.000 1.476 111 V CA 0.127 62.376 62.300 -0.084 0.000 1.417 111 V CB -0.639 31.128 31.823 -0.093 0.000 1.465 111 V HN 0.647 nan 8.190 nan 0.000 0.502 112 L N 1.941 123.113 121.223 -0.085 0.000 2.191 112 L HA -0.139 4.200 4.340 -0.002 0.000 0.212 112 L C 2.622 179.433 176.870 -0.098 0.000 1.103 112 L CA 1.576 56.358 54.840 -0.097 0.000 0.769 112 L CB -0.411 41.620 42.059 -0.047 0.000 0.908 112 L HN 0.773 nan 8.230 nan 0.000 0.438 113 S N 0.031 115.685 115.700 -0.076 0.000 2.469 113 S HA -0.115 4.354 4.470 -0.002 0.000 0.238 113 S C 1.999 176.551 174.600 -0.079 0.000 0.998 113 S CA 0.750 58.910 58.200 -0.066 0.000 0.957 113 S CB -0.322 62.848 63.200 -0.050 0.000 0.764 113 S HN 0.366 nan 8.310 nan 0.000 0.514 114 A N 0.837 123.595 122.820 -0.103 0.000 2.167 114 A HA 0.416 4.735 4.320 -0.002 0.000 0.214 114 A C 0.923 178.432 177.584 -0.126 0.000 1.151 114 A CA 0.163 52.134 52.037 -0.110 0.000 0.735 114 A CB -0.382 18.539 19.000 -0.131 0.000 0.802 114 A HN 0.556 nan 8.150 nan 0.000 0.467 115 L N -0.935 120.199 121.223 -0.149 0.000 2.375 115 L HA 0.315 4.654 4.340 -0.002 0.000 0.268 115 L C 0.647 177.456 176.870 -0.102 0.000 1.058 115 L CA -0.642 54.102 54.840 -0.161 0.000 0.803 115 L CB 0.466 42.385 42.059 -0.235 0.000 1.212 115 L HN 0.478 nan 8.230 nan 0.000 0.451 116 N N 0.000 118.650 118.700 -0.083 0.000 1.763 116 N HA 0.000 4.739 4.740 -0.002 0.000 0.220 116 N CA 0.000 53.017 53.050 -0.055 0.000 0.885 116 N CB 0.000 38.456 38.487 -0.051 0.000 1.341 116 N HN 0.000 nan 8.380 nan 0.000 0.667