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 1oxl_1_B DATA FIRST_RESID 1 DATA SEQUENCE SLLEFGKMIL EETGXKLAIP SYSSYGcYcG WGGKGTPKDA TDRccFVHDc DATA SEQUENCE cYGNLPDcNP XXXXXXXXKS DRYKYKRVNG AIVcEKXGTS cENRIcEcDK DATA SEQUENCE AAAIcFRQNL NTYSKKYMLY PDXFLcKGEL Kc 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.739 174.600 0.232 0.000 1.055 1 S CA 0.000 58.290 58.200 0.150 0.000 1.107 1 S CB 0.000 63.243 63.200 0.071 0.000 0.593 2 L N 0.929 122.322 121.223 0.284 0.000 2.189 2 L HA 0.031 4.371 4.340 0.001 0.000 0.214 2 L C 2.074 179.069 176.870 0.209 0.000 1.097 2 L CA 2.047 57.078 54.840 0.320 0.000 0.764 2 L CB -1.102 41.149 42.059 0.319 0.000 0.900 2 L HN 0.811 nan 8.230 nan 0.000 0.436 3 L N -0.620 120.682 121.223 0.130 0.000 1.989 3 L HA -0.233 4.108 4.340 0.001 0.000 0.211 3 L C 2.317 179.244 176.870 0.095 0.000 1.071 3 L CA 1.950 56.839 54.840 0.081 0.000 0.749 3 L CB -0.532 41.545 42.059 0.031 0.000 0.890 3 L HN 0.293 nan 8.230 nan 0.000 0.431 4 E N -1.088 119.145 120.200 0.055 0.000 2.046 4 E HA -0.182 4.169 4.350 0.001 0.000 0.190 4 E C 1.929 178.691 176.600 0.270 0.000 0.982 4 E CA 1.323 57.786 56.400 0.105 0.000 0.800 4 E CB -0.482 29.014 29.700 -0.339 0.000 0.756 4 E HN 0.456 nan 8.360 nan 0.000 0.449 5 F N 1.270 121.288 119.950 0.114 0.000 2.102 5 F HA -0.053 4.474 4.527 0.001 0.000 0.298 5 F C 2.146 177.982 175.800 0.061 0.000 1.105 5 F CA 1.717 59.778 58.000 0.101 0.000 1.239 5 F CB -0.950 38.146 39.000 0.160 0.000 0.991 5 F HN 0.052 nan 8.300 nan 0.000 0.474 6 G N -0.062 108.781 108.800 0.073 0.000 2.440 6 G HA2 -0.327 3.634 3.960 0.001 0.000 0.218 6 G HA3 -0.327 3.634 3.960 0.001 0.000 0.218 6 G C 1.853 176.760 174.900 0.013 0.000 1.154 6 G CA 0.878 45.953 45.100 -0.041 0.000 0.767 6 G HN 0.398 nan 8.290 nan 0.000 0.552 7 K N -0.303 120.158 120.400 0.101 0.000 2.057 7 K HA 0.006 4.327 4.320 0.001 0.000 0.207 7 K C 2.622 179.309 176.600 0.144 0.000 1.049 7 K CA 1.075 57.447 56.287 0.141 0.000 0.931 7 K CB -0.225 32.405 32.500 0.217 0.000 0.714 7 K HN 0.307 nan 8.250 nan 0.000 0.440 8 M N 0.459 120.133 119.600 0.124 0.000 2.117 8 M HA -0.176 4.305 4.480 0.001 0.000 0.262 8 M C 2.174 178.463 176.300 -0.018 0.000 1.065 8 M CA 1.547 56.862 55.300 0.025 0.000 1.114 8 M CB -0.320 32.245 32.600 -0.059 0.000 1.361 8 M HN 0.155 nan 8.290 nan 0.000 0.408 9 I N 0.023 120.541 120.570 -0.087 0.000 2.163 9 I HA -0.303 3.868 4.170 0.001 0.000 0.243 9 I C 2.401 178.499 176.117 -0.033 0.000 1.085 9 I CA 0.957 62.184 61.300 -0.122 0.000 1.347 9 I CB -0.379 37.467 38.000 -0.257 0.000 1.044 9 I HN 0.256 nan 8.210 nan 0.000 0.408 10 L N 0.832 122.050 121.223 -0.008 0.000 2.056 10 L HA -0.194 4.147 4.340 0.001 0.000 0.207 10 L C 2.332 179.215 176.870 0.021 0.000 1.078 10 L CA 1.881 56.729 54.840 0.013 0.000 0.749 10 L CB -0.636 41.436 42.059 0.022 0.000 0.901 10 L HN 0.192 nan 8.230 nan 0.000 0.433 11 E N -0.809 119.414 120.200 0.038 0.000 2.110 11 E HA -0.189 4.162 4.350 0.001 0.000 0.193 11 E C 1.894 178.511 176.600 0.028 0.000 0.988 11 E CA 1.248 57.676 56.400 0.047 0.000 0.804 11 E CB 0.019 29.772 29.700 0.088 0.000 0.745 11 E HN 0.530 nan 8.360 nan 0.000 0.458 12 E N -0.526 119.682 120.200 0.014 0.000 2.190 12 E HA -0.049 4.302 4.350 0.001 0.000 0.191 12 E C 2.048 178.653 176.600 0.008 0.000 0.978 12 E CA 1.398 57.800 56.400 0.004 0.000 0.839 12 E CB 0.344 30.032 29.700 -0.019 0.000 0.787 12 E HN 0.341 nan 8.360 nan 0.000 0.473 13 T N -2.772 111.789 114.554 0.012 0.000 2.971 13 T HA 0.389 4.740 4.350 0.001 0.000 0.252 13 T C 1.046 175.740 174.700 -0.011 0.000 1.022 13 T CA 0.536 62.645 62.100 0.015 0.000 0.980 13 T CB 0.742 69.647 68.868 0.061 0.000 1.044 13 T HN 0.238 nan 8.240 nan 0.000 0.501 17 L N 2.289 123.504 121.223 -0.013 0.000 2.331 17 L HA 0.229 4.570 4.340 0.001 0.000 0.278 17 L C 1.563 178.451 176.870 0.030 0.000 1.106 17 L CA -0.025 54.821 54.840 0.010 0.000 0.824 17 L CB 1.238 43.302 42.059 0.008 0.000 1.142 17 L HN 1.002 nan 8.230 nan 0.000 0.443 18 A N 5.195 128.036 122.820 0.035 0.000 1.903 18 A HA -0.109 4.211 4.320 0.001 0.000 0.219 18 A C 1.001 178.620 177.584 0.058 0.000 1.191 18 A CA 1.312 53.372 52.037 0.038 0.000 0.638 18 A CB -0.418 18.550 19.000 -0.053 0.000 0.823 18 A HN 0.613 nan 8.150 nan 0.000 0.451 19 I N 0.561 121.176 120.570 0.075 0.000 2.312 19 I HA 0.228 4.398 4.170 0.001 0.000 0.290 19 I C -1.625 174.528 176.117 0.059 0.000 1.008 19 I CA -1.582 59.779 61.300 0.101 0.000 1.226 19 I CB 2.045 40.138 38.000 0.155 0.000 1.371 19 I HN 0.170 nan 8.210 nan 0.000 0.468 20 P HA 0.161 nan 4.420 nan 0.000 0.275 20 P C 0.912 178.207 177.300 -0.008 0.000 1.310 20 P CA 0.108 63.234 63.100 0.043 0.000 0.904 20 P CB 0.697 32.425 31.700 0.048 0.000 1.381 21 S N -0.369 115.279 115.700 -0.086 0.000 2.399 21 S HA -0.097 4.373 4.470 0.001 0.000 0.231 21 S C 0.730 175.028 174.600 -0.503 0.000 1.022 21 S CA 1.168 59.208 58.200 -0.267 0.000 0.983 21 S CB -0.663 62.249 63.200 -0.479 0.000 0.803 21 S HN 0.291 nan 8.310 nan 0.000 0.480 22 Y N 0.310 120.523 120.300 -0.144 0.000 2.660 22 Y HA 0.283 4.834 4.550 0.001 0.000 0.254 22 Y C 1.731 177.514 175.900 -0.194 0.000 1.176 22 Y CA -0.297 57.641 58.100 -0.270 0.000 1.195 22 Y CB 0.258 38.403 38.460 -0.526 0.000 1.190 22 Y HN 0.272 nan 8.280 nan 0.000 0.535 23 S N -1.916 113.767 115.700 -0.030 0.000 2.540 23 S HA 0.077 4.548 4.470 0.001 0.000 0.222 23 S C 1.035 175.628 174.600 -0.012 0.000 1.008 23 S CA 0.400 58.535 58.200 -0.108 0.000 0.939 23 S CB -0.069 63.160 63.200 0.048 0.000 0.865 23 S HN 0.169 nan 8.310 nan 0.000 0.499 24 S N -0.446 115.286 115.700 0.052 0.000 3.053 24 S HA 0.334 4.804 4.470 0.001 0.000 0.255 24 S C -0.565 174.092 174.600 0.094 0.000 0.976 24 S CA -0.610 57.640 58.200 0.083 0.000 1.159 24 S CB -0.618 62.640 63.200 0.097 0.000 1.110 24 S HN 0.425 nan 8.310 nan 0.000 0.633 25 Y N 3.180 123.439 120.300 -0.068 0.000 2.336 25 Y HA 0.532 5.082 4.550 0.001 0.000 0.335 25 Y C 1.065 176.878 175.900 -0.145 0.000 1.046 25 Y CA 1.021 59.049 58.100 -0.121 0.000 1.198 25 Y CB 0.373 38.703 38.460 -0.217 0.000 1.182 25 Y HN 0.639 nan 8.280 nan 0.000 0.502 26 G N 3.410 111.952 108.800 -0.430 0.000 2.575 26 G HA2 -0.330 3.631 3.960 0.001 0.000 0.267 26 G HA3 -0.330 3.631 3.960 0.001 0.000 0.267 26 G C 0.832 175.641 174.900 -0.152 0.000 1.264 26 G CA -0.056 44.707 45.100 -0.561 0.000 0.935 26 G HN 0.861 nan 8.290 nan 0.000 0.568 27 c N -1.614 116.905 118.600 -0.135 0.000 2.512 27 c HA 0.327 4.897 4.570 0.001 0.000 0.276 27 c C 2.107 175.987 174.090 -0.352 0.000 1.368 27 c CA 1.533 57.752 56.329 -0.183 0.000 1.755 27 c CB -1.062 41.285 42.510 -0.271 0.000 2.008 27 c HN 0.500 nan 8.230 nan 0.000 0.511 28 Y N -1.339 119.002 120.300 0.068 0.000 2.426 28 Y HA 0.249 4.799 4.550 0.001 0.000 0.249 28 Y C 1.287 177.226 175.900 0.064 0.000 1.103 28 Y CA -0.285 57.875 58.100 0.101 0.000 1.256 28 Y CB -0.113 38.454 38.460 0.179 0.000 1.208 28 Y HN 0.112 nan 8.280 nan 0.000 0.519 29 c N 2.221 120.923 118.600 0.171 0.000 2.252 29 c HA 0.716 5.287 4.570 0.001 0.000 0.342 29 c C 1.161 175.212 174.090 -0.067 0.000 1.110 29 c CA 0.295 56.677 56.329 0.089 0.000 1.581 29 c CB -1.378 41.204 42.510 0.119 0.000 2.087 29 c HN 0.797 nan 8.230 nan 0.000 0.500 30 G N 2.374 111.001 108.800 -0.287 0.000 2.292 30 G HA2 0.106 4.066 3.960 0.001 0.000 0.194 30 G HA3 0.106 4.066 3.960 0.001 0.000 0.194 30 G C -1.435 173.005 174.900 -0.767 0.000 1.329 30 G CA -0.561 44.166 45.100 -0.621 0.000 1.100 30 G HN 0.450 nan 8.290 nan 0.000 0.470 31 W N 0.494 121.874 121.300 0.134 0.000 2.894 31 W HA 0.612 5.273 4.660 0.002 0.000 0.345 31 W C 0.733 177.304 176.519 0.087 0.000 1.152 31 W CA 0.375 57.796 57.345 0.126 0.000 1.089 31 W CB 1.198 30.725 29.460 0.112 0.000 1.454 31 W HN 2.083 nan 8.180 nan 0.000 0.589 32 G N 0.084 109.060 108.800 0.294 0.000 2.750 32 G HA2 0.267 4.227 3.960 0.001 0.000 0.686 32 G HA3 0.267 4.227 3.960 0.001 0.000 0.686 32 G C -0.405 174.547 174.900 0.086 0.000 1.395 32 G CA -0.367 44.827 45.100 0.157 0.000 0.918 32 G HN 1.182 nan 8.290 nan 0.000 0.594 33 G N 1.070 109.910 108.800 0.066 0.000 2.919 33 G HA2 0.798 4.758 3.960 0.001 0.000 0.303 33 G HA3 0.798 4.758 3.960 0.001 0.000 0.303 33 G C -0.448 174.512 174.900 0.100 0.000 1.611 33 G CA 0.348 45.501 45.100 0.087 0.000 0.876 33 G HN 1.246 nan 8.290 nan 0.000 0.481 34 K N 0.708 121.004 120.400 -0.172 0.000 2.556 34 K HA 0.907 5.228 4.320 0.001 0.000 0.274 34 K C 0.159 176.697 176.600 -0.104 0.000 0.966 34 K CA -0.580 55.707 56.287 -0.000 0.000 0.865 34 K CB 2.361 34.874 32.500 0.021 0.000 1.444 34 K HN 1.734 nan 8.250 nan 0.000 0.433 35 G N 0.354 109.205 108.800 0.084 0.000 2.566 35 G HA2 -0.078 3.883 3.960 0.001 0.000 0.599 35 G HA3 -0.078 3.883 3.960 0.001 0.000 0.599 35 G C -1.148 173.845 174.900 0.155 0.000 1.292 35 G CA -0.663 44.480 45.100 0.071 0.000 0.922 35 G HN 0.652 nan 8.290 nan 0.000 0.514 36 T N 3.337 117.935 114.554 0.074 0.000 2.771 36 T HA 0.587 4.938 4.350 0.001 0.000 0.291 36 T C -2.184 172.534 174.700 0.030 0.000 0.954 36 T CA -0.536 61.570 62.100 0.010 0.000 1.045 36 T CB 1.539 70.392 68.868 -0.025 0.000 0.917 36 T HN 0.501 nan 8.240 nan 0.000 0.484 37 P HA 0.085 nan 4.420 nan 0.000 0.264 37 P C 0.651 177.880 177.300 -0.119 0.000 1.183 37 P CA -0.240 62.862 63.100 0.004 0.000 0.763 37 P CB 0.599 32.237 31.700 -0.103 0.000 0.807 38 K N 1.648 121.896 120.400 -0.254 0.000 2.314 38 K HA 0.049 4.370 4.320 0.001 0.000 0.198 38 K C 0.604 176.965 176.600 -0.398 0.000 1.045 38 K CA 1.130 57.156 56.287 -0.436 0.000 0.988 38 K CB -0.245 31.674 32.500 -0.970 0.000 0.783 38 K HN 0.675 nan 8.250 nan 0.000 0.484 39 D N -2.973 117.252 120.400 -0.291 0.000 2.851 39 D HA 0.191 4.832 4.640 0.001 0.000 0.339 39 D C 0.527 176.804 176.300 -0.039 0.000 1.347 39 D CA -0.072 53.846 54.000 -0.137 0.000 0.888 39 D CB 0.127 40.858 40.800 -0.116 0.000 1.431 39 D HN -0.182 nan 8.370 nan 0.000 0.509 40 A N -0.213 122.617 122.820 0.016 0.000 1.902 40 A HA -0.073 4.248 4.320 0.001 0.000 0.217 40 A C 1.963 179.597 177.584 0.083 0.000 1.181 40 A CA 2.637 54.702 52.037 0.046 0.000 0.623 40 A CB -1.279 17.756 19.000 0.058 0.000 0.818 40 A HN 0.614 nan 8.150 nan 0.000 0.443 41 T N -0.347 114.261 114.554 0.089 0.000 2.746 41 T HA -0.133 4.218 4.350 0.001 0.000 0.267 41 T C 1.721 176.493 174.700 0.121 0.000 1.039 41 T CA 1.621 63.777 62.100 0.092 0.000 1.142 41 T CB -0.379 68.422 68.868 -0.112 0.000 0.866 41 T HN 0.539 nan 8.240 nan 0.000 0.444 42 D N 0.756 121.224 120.400 0.113 0.000 2.144 42 D HA -0.038 4.602 4.640 0.001 0.000 0.199 42 D C 2.353 178.749 176.300 0.160 0.000 0.984 42 D CA 0.888 54.975 54.000 0.146 0.000 0.834 42 D CB -0.040 40.769 40.800 0.015 0.000 0.955 42 D HN 0.259 nan 8.370 nan 0.000 0.465 43 R N -0.514 120.043 120.500 0.095 0.000 2.096 43 R HA -0.072 4.269 4.340 0.001 0.000 0.235 43 R C 2.568 178.954 176.300 0.144 0.000 1.127 43 R CA 1.107 57.262 56.100 0.092 0.000 0.968 43 R CB -0.531 29.791 30.300 0.036 0.000 0.861 43 R HN 0.300 nan 8.270 nan 0.000 0.440 44 c N -0.181 118.514 118.600 0.159 0.000 2.413 44 c HA -0.162 4.408 4.570 0.001 0.000 0.276 44 c C 2.925 177.108 174.090 0.155 0.000 1.248 44 c CA 0.305 56.717 56.329 0.137 0.000 1.742 44 c CB -0.872 41.777 42.510 0.231 0.000 2.017 44 c HN 0.615 nan 8.230 nan 0.000 0.481 45 c N -0.167 118.603 118.600 0.283 0.000 2.446 45 c HA -0.088 4.482 4.570 0.001 0.000 0.277 45 c C 2.433 176.620 174.090 0.161 0.000 1.275 45 c CA 0.831 57.327 56.329 0.279 0.000 1.727 45 c CB -1.619 41.091 42.510 0.334 0.000 2.010 45 c HN 0.675 nan 8.230 nan 0.000 0.486 46 F N 1.888 121.791 119.950 -0.078 0.000 2.095 46 F HA -0.164 4.364 4.527 0.001 0.000 0.298 46 F C 2.196 177.856 175.800 -0.233 0.000 1.104 46 F CA 1.839 59.602 58.000 -0.394 0.000 1.232 46 F CB -0.568 38.056 39.000 -0.626 0.000 0.987 46 F HN 0.040 nan 8.300 nan 0.000 0.475 47 V N 0.452 120.265 119.914 -0.169 0.000 2.407 47 V HA -0.330 3.791 4.120 0.001 0.000 0.248 47 V C 2.572 178.496 176.094 -0.283 0.000 1.055 47 V CA 2.269 64.418 62.300 -0.252 0.000 1.049 47 V CB -1.117 30.657 31.823 -0.082 0.000 0.662 47 V HN 0.546 nan 8.190 nan 0.000 0.455 48 H N 0.171 119.050 119.070 -0.318 0.000 2.321 48 H HA -0.190 4.367 4.556 0.001 0.000 0.300 48 H C 2.138 177.148 175.328 -0.531 0.000 1.087 48 H CA 2.044 57.827 56.048 -0.441 0.000 1.319 48 H CB 0.105 29.624 29.762 -0.405 0.000 1.379 48 H HN 0.403 nan 8.280 nan 0.000 0.501 49 D N 0.087 120.251 120.400 -0.393 0.000 2.097 49 D HA -0.138 4.503 4.640 0.001 0.000 0.195 49 D C 2.544 178.646 176.300 -0.329 0.000 0.989 49 D CA 1.195 54.997 54.000 -0.331 0.000 0.827 49 D CB -0.761 39.948 40.800 -0.151 0.000 0.966 49 D HN 0.374 nan 8.370 nan 0.000 0.456 50 c N 0.167 118.490 118.600 -0.462 0.000 2.413 50 c HA -0.136 4.434 4.570 0.001 0.000 0.277 50 c C 3.026 176.963 174.090 -0.255 0.000 1.265 50 c CA 0.058 56.155 56.329 -0.387 0.000 1.752 50 c CB -1.027 41.170 42.510 -0.521 0.000 1.998 50 c HN 0.492 nan 8.230 nan 0.000 0.489 51 c N -0.167 118.257 118.600 -0.293 0.000 2.432 51 c HA -0.119 4.451 4.570 0.001 0.000 0.277 51 c C 2.676 176.706 174.090 -0.100 0.000 1.249 51 c CA 0.983 57.181 56.329 -0.219 0.000 1.725 51 c CB -1.468 40.869 42.510 -0.288 0.000 2.028 51 c HN 0.644 nan 8.230 nan 0.000 0.477 52 Y N 1.301 121.405 120.300 -0.326 0.000 2.224 52 Y HA 0.010 4.561 4.550 0.001 0.000 0.289 52 Y C 2.720 178.522 175.900 -0.164 0.000 1.146 52 Y CA 1.312 59.258 58.100 -0.257 0.000 1.182 52 Y CB -1.561 36.736 38.460 -0.272 0.000 0.983 52 Y HN 0.453 nan 8.280 nan 0.000 0.524 53 G N -0.262 108.541 108.800 0.006 0.000 2.470 53 G HA2 -0.253 3.708 3.960 0.001 0.000 0.220 53 G HA3 -0.253 3.708 3.960 0.001 0.000 0.220 53 G C 1.495 176.373 174.900 -0.036 0.000 1.121 53 G CA 0.754 45.840 45.100 -0.024 0.000 0.766 53 G HN 0.294 nan 8.290 nan 0.000 0.553 54 N N 0.072 118.743 118.700 -0.048 0.000 2.461 54 N HA 0.091 4.832 4.740 0.001 0.000 0.188 54 N C 0.577 176.060 175.510 -0.045 0.000 1.134 54 N CA 0.286 53.307 53.050 -0.049 0.000 0.878 54 N CB 0.202 38.653 38.487 -0.061 0.000 0.972 54 N HN 0.282 nan 8.380 nan 0.000 0.456 55 L N 1.006 122.201 121.223 -0.046 0.000 2.839 55 L HA 0.321 4.662 4.340 0.001 0.000 0.259 55 L C -1.578 175.257 176.870 -0.058 0.000 1.369 55 L CA -1.054 53.750 54.840 -0.059 0.000 0.845 55 L CB 1.348 43.355 42.059 -0.086 0.000 1.181 55 L HN -0.215 nan 8.230 nan 0.000 0.529 56 P HA -0.117 nan 4.420 nan 0.000 0.222 56 P C 0.530 177.811 177.300 -0.033 0.000 1.147 56 P CA 1.111 64.192 63.100 -0.030 0.000 0.790 56 P CB 0.337 32.026 31.700 -0.020 0.000 0.780 57 D N -1.264 119.114 120.400 -0.036 0.000 2.339 57 D HA 0.043 4.684 4.640 0.001 0.000 0.217 57 D C 0.553 176.828 176.300 -0.042 0.000 1.050 57 D CA 0.244 54.225 54.000 -0.033 0.000 0.856 57 D CB 0.118 40.902 40.800 -0.027 0.000 0.922 57 D HN 0.189 nan 8.370 nan 0.000 0.518 58 c N 0.154 118.717 118.600 -0.061 0.000 2.354 58 c HA 0.466 5.037 4.570 0.001 0.000 0.381 58 c C 0.399 174.434 174.090 -0.092 0.000 1.240 58 c CA -0.821 55.461 56.329 -0.079 0.000 2.089 58 c CB 0.586 43.029 42.510 -0.110 0.000 2.234 58 c HN 0.153 nan 8.230 nan 0.000 0.544 59 N N 0.486 119.127 118.700 -0.099 0.000 2.750 59 N HA 0.311 5.052 4.740 0.001 0.000 0.253 59 N C -2.942 172.492 175.510 -0.127 0.000 1.408 59 N CA -0.673 52.319 53.050 -0.096 0.000 0.780 59 N CB 0.854 39.315 38.487 -0.044 0.000 1.191 59 N HN 0.404 nan 8.380 nan 0.000 0.511 70 S N -0.317 115.405 115.700 0.037 0.000 2.604 70 S HA 0.226 4.696 4.470 0.001 0.000 0.235 70 S C -0.166 174.450 174.600 0.025 0.000 1.043 70 S CA -0.336 57.882 58.200 0.030 0.000 0.997 70 S CB 0.485 63.696 63.200 0.017 0.000 0.956 70 S HN 0.123 nan 8.310 nan 0.000 0.535 71 D N 3.454 123.869 120.400 0.025 0.000 2.342 71 D HA 0.282 4.922 4.640 0.001 0.000 0.260 71 D C 0.125 176.476 176.300 0.084 0.000 1.278 71 D CA 0.257 54.285 54.000 0.045 0.000 0.910 71 D CB 0.524 41.343 40.800 0.031 0.000 1.079 71 D HN 0.346 nan 8.370 nan 0.000 0.496 72 R N 2.100 122.627 120.500 0.044 0.000 2.528 72 R HA 0.514 4.855 4.340 0.001 0.000 0.271 72 R C -0.360 175.979 176.300 0.065 0.000 1.056 72 R CA -0.637 55.446 56.100 -0.030 0.000 1.117 72 R CB 0.873 31.150 30.300 -0.039 0.000 1.085 72 R HN 0.465 nan 8.270 nan 0.000 0.530 73 Y N -2.352 117.989 120.300 0.068 0.000 2.670 73 Y HA 0.512 5.062 4.550 0.001 0.000 0.334 73 Y C -1.389 174.569 175.900 0.097 0.000 1.185 73 Y CA -1.585 56.556 58.100 0.068 0.000 1.053 73 Y CB 0.964 39.462 38.460 0.063 0.000 1.298 73 Y HN 0.089 nan 8.280 nan 0.000 0.459 74 K N 1.860 122.458 120.400 0.330 0.000 2.206 74 K HA 0.405 4.726 4.320 0.001 0.000 0.264 74 K C -1.532 175.294 176.600 0.376 0.000 0.967 74 K CA -0.569 55.853 56.287 0.225 0.000 0.844 74 K CB 1.644 34.209 32.500 0.107 0.000 1.099 74 K HN 0.905 nan 8.250 nan 0.000 0.441 75 Y N -0.201 120.211 120.300 0.187 0.000 2.553 75 Y HA 0.636 5.186 4.550 0.001 0.000 0.347 75 Y C -0.720 175.232 175.900 0.088 0.000 1.019 75 Y CA -1.137 57.057 58.100 0.155 0.000 1.032 75 Y CB 1.642 40.235 38.460 0.220 0.000 1.284 75 Y HN 0.551 nan 8.280 nan 0.000 0.466 76 K N 1.794 122.248 120.400 0.091 0.000 2.439 76 K HA 0.684 5.004 4.320 0.001 0.000 0.260 76 K C -1.375 175.290 176.600 0.109 0.000 1.032 76 K CA -1.329 54.939 56.287 -0.031 0.000 0.882 76 K CB 2.198 34.695 32.500 -0.005 0.000 1.420 76 K HN 0.735 nan 8.250 nan 0.000 0.455 77 R N 0.996 121.528 120.500 0.053 0.000 2.387 77 R HA 0.468 4.809 4.340 0.001 0.000 0.314 77 R C -1.250 175.079 176.300 0.049 0.000 0.958 77 R CA -0.889 55.262 56.100 0.084 0.000 0.846 77 R CB 1.926 32.269 30.300 0.072 0.000 1.147 77 R HN 0.406 nan 8.270 nan 0.000 0.447 78 V N 3.523 123.467 119.914 0.051 0.000 2.531 78 V HA 0.141 4.262 4.120 0.001 0.000 0.301 78 V C 0.393 176.504 176.094 0.028 0.000 1.034 78 V CA -0.859 61.461 62.300 0.033 0.000 0.865 78 V CB 1.554 33.395 31.823 0.030 0.000 0.995 78 V HN 0.895 nan 8.190 nan 0.000 0.424 79 N N 3.565 122.278 118.700 0.021 0.000 2.735 79 N HA -0.214 4.526 4.740 0.001 0.000 0.248 79 N C 1.107 176.629 175.510 0.020 0.000 1.083 79 N CA 1.948 55.008 53.050 0.017 0.000 0.703 79 N CB -1.022 37.473 38.487 0.014 0.000 1.005 79 N HN 1.734 nan 8.380 nan 0.000 0.550 80 G N -2.889 105.926 108.800 0.026 0.000 2.234 80 G HA2 -0.070 3.891 3.960 0.001 0.000 0.260 80 G HA3 -0.070 3.891 3.960 0.001 0.000 0.260 80 G C 0.268 175.190 174.900 0.037 0.000 0.987 80 G CA 0.945 46.063 45.100 0.029 0.000 0.625 80 G HN 1.445 nan 8.290 nan 0.000 0.532 81 A N -0.162 122.681 122.820 0.039 0.000 2.325 81 A HA 0.811 5.131 4.320 0.001 0.000 0.333 81 A C 0.352 177.977 177.584 0.068 0.000 1.155 81 A CA -0.646 51.414 52.037 0.038 0.000 0.814 81 A CB 0.803 19.816 19.000 0.022 0.000 1.206 81 A HN 0.713 nan 8.150 nan 0.000 0.482 82 I N 1.528 122.138 120.570 0.067 0.000 2.598 82 I HA 0.137 4.308 4.170 0.001 0.000 0.284 82 I C -0.562 175.609 176.117 0.089 0.000 1.140 82 I CA 0.364 61.730 61.300 0.110 0.000 1.420 82 I CB 0.759 38.754 38.000 -0.008 0.000 1.387 82 I HN 0.235 nan 8.210 nan 0.000 0.553 83 V N 6.708 126.715 119.914 0.155 0.000 2.407 83 V HA 0.181 4.302 4.120 0.001 0.000 0.291 83 V C -0.272 175.907 176.094 0.143 0.000 1.018 83 V CA -0.680 61.683 62.300 0.104 0.000 0.842 83 V CB 1.480 33.353 31.823 0.083 0.000 0.996 83 V HN 0.801 nan 8.190 nan 0.000 0.426 84 c N 5.072 123.715 118.600 0.072 0.000 2.416 84 c HA 0.266 4.837 4.570 0.001 0.000 0.355 84 c C 1.019 175.144 174.090 0.057 0.000 1.211 84 c CA -0.673 55.692 56.329 0.060 0.000 1.699 84 c CB -1.350 41.125 42.510 -0.057 0.000 2.310 84 c HN 0.820 nan 8.230 nan 0.000 0.539 85 E N 1.956 122.216 120.200 0.101 0.000 2.404 85 E HA 0.105 4.456 4.350 0.001 0.000 0.261 85 E C 0.331 176.958 176.600 0.045 0.000 1.074 85 E CA -0.161 56.281 56.400 0.070 0.000 0.917 85 E CB 0.672 30.421 29.700 0.082 0.000 0.965 85 E HN 0.457 nan 8.360 nan 0.000 0.433 89 T N -0.725 113.837 114.554 0.013 0.000 2.802 89 T HA 0.404 4.755 4.350 0.001 0.000 0.305 89 T C 1.560 176.252 174.700 -0.015 0.000 1.053 89 T CA 1.022 63.122 62.100 0.000 0.000 1.058 89 T CB 1.137 70.007 68.868 0.004 0.000 0.988 89 T HN 0.549 nan 8.240 nan 0.000 0.539 90 S N 0.246 115.933 115.700 -0.021 0.000 2.359 90 S HA -0.144 4.327 4.470 0.001 0.000 0.224 90 S C 2.306 176.877 174.600 -0.047 0.000 1.035 90 S CA 1.310 59.489 58.200 -0.034 0.000 1.018 90 S CB -0.878 62.303 63.200 -0.031 0.000 0.876 90 S HN 0.847 nan 8.310 nan 0.000 0.448 91 c N 1.514 120.089 118.600 -0.042 0.000 2.413 91 c HA -0.097 4.474 4.570 0.001 0.000 0.276 91 c C 2.657 176.709 174.090 -0.064 0.000 1.236 91 c CA 0.746 57.042 56.329 -0.055 0.000 1.735 91 c CB -1.315 41.170 42.510 -0.042 0.000 2.031 91 c HN 0.638 nan 8.230 nan 0.000 0.474 92 E N 0.464 120.647 120.200 -0.028 0.000 2.051 92 E HA -0.176 4.175 4.350 0.001 0.000 0.192 92 E C 2.034 178.545 176.600 -0.149 0.000 0.991 92 E CA 1.053 57.447 56.400 -0.011 0.000 0.799 92 E CB -0.237 29.508 29.700 0.074 0.000 0.748 92 E HN 0.607 nan 8.360 nan 0.000 0.449 93 N N 0.532 119.167 118.700 -0.108 0.000 2.084 93 N HA -0.127 4.614 4.740 0.001 0.000 0.190 93 N C 1.836 177.237 175.510 -0.181 0.000 1.030 93 N CA 0.906 53.872 53.050 -0.139 0.000 0.849 93 N CB -0.037 38.403 38.487 -0.079 0.000 1.012 93 N HN 0.140 nan 8.380 nan 0.000 0.423 94 R N 0.729 121.142 120.500 -0.145 0.000 2.075 94 R HA 0.014 4.355 4.340 0.001 0.000 0.232 94 R C 2.341 178.541 176.300 -0.167 0.000 1.126 94 R CA 0.726 56.744 56.100 -0.136 0.000 0.963 94 R CB -0.370 29.869 30.300 -0.101 0.000 0.858 94 R HN 0.259 nan 8.270 nan 0.000 0.435 95 I N 0.226 120.676 120.570 -0.200 0.000 2.226 95 I HA -0.354 3.817 4.170 0.001 0.000 0.245 95 I C 2.841 178.755 176.117 -0.338 0.000 1.100 95 I CA 0.980 62.162 61.300 -0.197 0.000 1.374 95 I CB -0.369 37.525 38.000 -0.177 0.000 1.057 95 I HN 0.295 nan 8.210 nan 0.000 0.413 96 c N 1.210 119.391 118.600 -0.699 0.000 2.413 96 c HA -0.163 4.408 4.570 0.001 0.000 0.276 96 c C 2.816 176.668 174.090 -0.397 0.000 1.248 96 c CA 1.172 56.951 56.329 -0.916 0.000 1.742 96 c CB -0.952 40.969 42.510 -0.982 0.000 2.017 96 c HN 0.445 nan 8.230 nan 0.000 0.481 97 E N -0.191 119.842 120.200 -0.279 0.000 2.110 97 E HA -0.163 4.188 4.350 0.001 0.000 0.193 97 E C 2.281 178.777 176.600 -0.174 0.000 0.988 97 E CA 1.506 57.794 56.400 -0.187 0.000 0.804 97 E CB -0.651 28.962 29.700 -0.144 0.000 0.745 97 E HN 0.767 nan 8.360 nan 0.000 0.458 98 c N 1.361 119.859 118.600 -0.169 0.000 2.432 98 c HA -0.124 4.446 4.570 0.001 0.000 0.277 98 c C 2.284 176.268 174.090 -0.176 0.000 1.249 98 c CA 0.662 56.889 56.329 -0.169 0.000 1.725 98 c CB -0.750 41.661 42.510 -0.164 0.000 2.028 98 c HN 0.396 nan 8.230 nan 0.000 0.477 99 D N 0.543 120.813 120.400 -0.216 0.000 2.117 99 D HA -0.126 4.515 4.640 0.001 0.000 0.198 99 D C 2.141 178.313 176.300 -0.214 0.000 0.982 99 D CA 1.078 54.844 54.000 -0.390 0.000 0.828 99 D CB -0.502 40.178 40.800 -0.199 0.000 0.967 99 D HN 0.536 nan 8.370 nan 0.000 0.464 100 K N 0.770 121.059 120.400 -0.186 0.000 2.032 100 K HA -0.132 4.189 4.320 0.001 0.000 0.209 100 K C 2.017 178.513 176.600 -0.174 0.000 1.048 100 K CA 1.455 57.639 56.287 -0.172 0.000 0.927 100 K CB -0.090 32.310 32.500 -0.166 0.000 0.712 100 K HN 0.029 nan 8.250 nan 0.000 0.441 101 A N 0.972 123.686 122.820 -0.177 0.000 1.902 101 A HA -0.107 4.214 4.320 0.001 0.000 0.217 101 A C 2.329 179.762 177.584 -0.252 0.000 1.181 101 A CA 1.932 53.864 52.037 -0.176 0.000 0.623 101 A CB -0.805 18.105 19.000 -0.150 0.000 0.818 101 A HN 0.524 nan 8.150 nan 0.000 0.443 102 A N -0.208 122.413 122.820 -0.333 0.000 1.898 102 A HA 0.203 4.524 4.320 0.001 0.000 0.216 102 A C 2.508 179.525 177.584 -0.945 0.000 1.181 102 A CA 1.981 53.644 52.037 -0.623 0.000 0.620 102 A CB -1.016 17.559 19.000 -0.709 0.000 0.819 102 A HN 1.053 nan 8.150 nan 0.000 0.442 103 A N -0.179 122.323 122.820 -0.530 0.000 1.933 103 A HA -0.069 4.252 4.320 0.001 0.000 0.218 103 A C 2.105 179.519 177.584 -0.283 0.000 1.175 103 A CA 1.536 53.316 52.037 -0.430 0.000 0.628 103 A CB -0.568 18.339 19.000 -0.155 0.000 0.814 103 A HN 0.499 nan 8.150 nan 0.000 0.444 104 I N -1.208 119.229 120.570 -0.222 0.000 2.353 104 I HA -0.245 3.926 4.170 0.001 0.000 0.248 104 I C 2.643 178.693 176.117 -0.112 0.000 1.119 104 I CA 0.933 62.156 61.300 -0.127 0.000 1.417 104 I CB -0.364 37.575 38.000 -0.102 0.000 1.078 104 I HN 0.541 nan 8.210 nan 0.000 0.421 105 c N 1.013 119.504 118.600 -0.181 0.000 2.413 105 c HA -0.226 4.345 4.570 0.001 0.000 0.276 105 c C 2.834 176.941 174.090 0.029 0.000 1.236 105 c CA 0.772 57.039 56.329 -0.104 0.000 1.735 105 c CB -1.035 41.381 42.510 -0.156 0.000 2.031 105 c HN 0.421 nan 8.230 nan 0.000 0.474 106 F N 1.281 121.150 119.950 -0.134 0.000 2.095 106 F HA -0.076 4.451 4.527 0.001 0.000 0.298 106 F C 2.597 178.358 175.800 -0.066 0.000 1.104 106 F CA 1.875 59.780 58.000 -0.158 0.000 1.232 106 F CB -1.485 37.229 39.000 -0.476 0.000 0.987 106 F HN 0.313 nan 8.300 nan 0.000 0.475 107 R N 0.505 121.071 120.500 0.111 0.000 2.083 107 R HA -0.200 4.141 4.340 0.001 0.000 0.237 107 R C 2.109 178.443 176.300 0.056 0.000 1.137 107 R CA 1.814 57.951 56.100 0.061 0.000 0.951 107 R CB -0.392 29.919 30.300 0.018 0.000 0.851 107 R HN 0.346 nan 8.270 nan 0.000 0.434 108 Q N -0.396 119.430 119.800 0.043 0.000 2.291 108 Q HA -0.085 4.255 4.340 0.001 0.000 0.206 108 Q C 0.640 176.674 176.000 0.057 0.000 0.976 108 Q CA 1.036 56.861 55.803 0.037 0.000 0.875 108 Q CB 0.117 28.866 28.738 0.019 0.000 0.927 108 Q HN 0.411 nan 8.270 nan 0.000 0.450 109 N N -0.256 118.498 118.700 0.090 0.000 2.234 109 N HA 0.122 4.863 4.740 0.001 0.000 0.227 109 N C 0.947 176.536 175.510 0.131 0.000 1.151 109 N CA 0.054 53.168 53.050 0.106 0.000 0.865 109 N CB 0.602 39.162 38.487 0.122 0.000 1.066 109 N HN 0.223 nan 8.380 nan 0.000 0.515 110 L N 1.303 122.593 121.223 0.112 0.000 2.127 110 L HA -0.212 4.128 4.340 0.001 0.000 0.211 110 L C 2.142 179.080 176.870 0.114 0.000 1.089 110 L CA 1.011 55.914 54.840 0.106 0.000 0.757 110 L CB -0.352 41.734 42.059 0.045 0.000 0.899 110 L HN 0.238 nan 8.230 nan 0.000 0.434 111 N N -0.514 118.239 118.700 0.089 0.000 2.348 111 N HA -0.190 4.551 4.740 0.001 0.000 0.185 111 N C 1.326 176.895 175.510 0.098 0.000 1.019 111 N CA 1.916 55.013 53.050 0.079 0.000 0.880 111 N CB -0.832 37.690 38.487 0.058 0.000 0.965 111 N HN 0.432 nan 8.380 nan 0.000 0.437 112 T N -5.602 109.027 114.554 0.125 0.000 3.084 112 T HA 0.112 4.462 4.350 0.001 0.000 0.270 112 T C 0.027 174.839 174.700 0.188 0.000 1.008 112 T CA -0.795 61.384 62.100 0.132 0.000 0.900 112 T CB -0.907 68.025 68.868 0.106 0.000 1.084 112 T HN 0.160 nan 8.240 nan 0.000 0.538 113 Y N 2.995 123.345 120.300 0.083 0.000 2.650 113 Y HA 0.398 4.948 4.550 0.001 0.000 0.331 113 Y C 0.261 176.258 175.900 0.162 0.000 1.165 113 Y CA -0.098 58.059 58.100 0.096 0.000 1.473 113 Y CB 0.303 38.744 38.460 -0.032 0.000 1.224 113 Y HN 0.237 nan 8.280 nan 0.000 0.533 114 S N 5.265 120.978 115.700 0.022 0.000 2.530 114 S HA 0.319 4.790 4.470 0.001 0.000 0.322 114 S C 0.461 174.968 174.600 -0.154 0.000 1.085 114 S CA -1.023 57.171 58.200 -0.011 0.000 1.096 114 S CB 0.738 63.923 63.200 -0.024 0.000 0.988 114 S HN 0.745 nan 8.310 nan 0.000 0.466 115 K N 3.819 124.184 120.400 -0.058 0.000 2.281 115 K HA -0.121 4.200 4.320 0.001 0.000 0.203 115 K C 1.834 178.327 176.600 -0.180 0.000 1.046 115 K CA 1.351 57.604 56.287 -0.056 0.000 0.938 115 K CB -0.158 32.353 32.500 0.019 0.000 0.737 115 K HN 0.726 nan 8.250 nan 0.000 0.458 116 K N 0.103 120.328 120.400 -0.292 0.000 2.280 116 K HA -0.157 4.164 4.320 0.001 0.000 0.202 116 K C 0.785 177.097 176.600 -0.481 0.000 1.047 116 K CA 1.234 57.291 56.287 -0.383 0.000 0.942 116 K CB -0.140 32.072 32.500 -0.481 0.000 0.739 116 K HN 0.159 nan 8.250 nan 0.000 0.457 117 Y N 0.998 121.015 120.300 -0.472 0.000 2.466 117 Y HA 0.285 4.835 4.550 0.001 0.000 0.272 117 Y C 0.831 176.334 175.900 -0.661 0.000 1.169 117 Y CA -0.247 57.380 58.100 -0.788 0.000 1.285 117 Y CB 0.025 37.590 38.460 -1.492 0.000 1.078 117 Y HN -0.033 nan 8.280 nan 0.000 0.523 118 M N -0.006 119.435 119.600 -0.265 0.000 2.241 118 M HA 0.114 4.594 4.480 0.001 0.000 0.335 118 M C 0.529 176.828 176.300 -0.002 0.000 1.122 118 M CA -0.079 55.173 55.300 -0.079 0.000 1.164 118 M CB 0.524 33.123 32.600 -0.002 0.000 1.459 118 M HN 0.093 nan 8.290 nan 0.000 0.461 119 L N 1.328 122.571 121.223 0.033 0.000 3.739 119 L HA -0.264 4.077 4.340 0.001 0.000 0.442 119 L C -0.904 175.983 176.870 0.028 0.000 1.241 119 L CA 0.108 54.967 54.840 0.031 0.000 0.819 119 L CB -2.010 40.056 42.059 0.013 0.000 1.679 119 L HN 0.542 nan 8.230 nan 0.000 0.889 120 Y N 2.001 122.236 120.300 -0.107 0.000 2.393 120 Y HA 0.400 4.950 4.550 0.001 0.000 0.338 120 Y C -1.440 174.347 175.900 -0.189 0.000 1.029 120 Y CA -2.615 55.398 58.100 -0.145 0.000 1.239 120 Y CB 0.741 39.117 38.460 -0.140 0.000 1.170 120 Y HN 0.017 nan 8.280 nan 0.000 0.515 121 P HA -0.008 nan 4.420 nan 0.000 0.268 121 P C 0.056 176.861 177.300 -0.825 0.000 1.205 121 P CA -0.087 62.554 63.100 -0.765 0.000 0.771 121 P CB 0.617 31.659 31.700 -1.096 0.000 0.858 125 L N 1.054 122.116 121.223 -0.269 0.000 2.591 125 L HA 0.267 4.608 4.340 0.001 0.000 0.228 125 L C -0.143 176.734 176.870 0.012 0.000 1.133 125 L CA 0.304 55.070 54.840 -0.123 0.000 0.880 125 L CB 0.316 42.113 42.059 -0.437 0.000 1.033 125 L HN 0.333 nan 8.230 nan 0.000 0.450 126 c N 1.261 119.847 118.600 -0.024 0.000 2.647 126 c HA 0.407 4.977 4.570 0.001 0.000 0.273 126 c C 0.178 174.270 174.090 0.004 0.000 1.088 126 c CA -1.095 55.236 56.329 0.002 0.000 1.529 126 c CB -0.094 42.388 42.510 -0.047 0.000 1.810 126 c HN 0.200 nan 8.230 nan 0.000 0.422 127 K N 1.558 121.978 120.400 0.033 0.000 2.318 127 K HA 0.815 5.136 4.320 0.001 0.000 0.249 127 K C -0.011 176.618 176.600 0.047 0.000 0.942 127 K CA -0.240 56.072 56.287 0.041 0.000 0.808 127 K CB 2.398 34.929 32.500 0.052 0.000 1.189 127 K HN 0.911 nan 8.250 nan 0.000 0.428 128 G N 1.699 110.531 108.800 0.053 0.000 2.587 128 G HA2 -0.114 3.847 3.960 0.001 0.000 0.686 128 G HA3 -0.114 3.847 3.960 0.001 0.000 0.686 128 G C -1.565 173.389 174.900 0.090 0.000 1.236 128 G CA -1.026 44.111 45.100 0.062 0.000 0.820 128 G HN 0.504 nan 8.290 nan 0.000 0.645 129 E N -0.192 120.064 120.200 0.093 0.000 2.158 129 E HA 0.558 4.909 4.350 0.001 0.000 0.271 129 E C -0.420 176.258 176.600 0.129 0.000 0.911 129 E CA -0.871 55.604 56.400 0.125 0.000 0.767 129 E CB 2.263 32.023 29.700 0.100 0.000 1.120 129 E HN 0.383 nan 8.360 nan 0.000 0.405 130 L N 3.778 125.116 121.223 0.193 0.000 2.356 130 L HA 0.361 4.702 4.340 0.001 0.000 0.264 130 L C -0.779 176.242 176.870 0.251 0.000 1.029 130 L CA -1.034 53.914 54.840 0.180 0.000 0.897 130 L CB 0.235 42.355 42.059 0.101 0.000 1.256 130 L HN 0.317 nan 8.230 nan 0.000 0.444 131 K N 3.102 123.596 120.400 0.156 0.000 2.382 131 K HA 0.544 4.864 4.320 0.001 0.000 0.275 131 K C -0.222 176.442 176.600 0.106 0.000 1.009 131 K CA 0.181 56.538 56.287 0.117 0.000 0.970 131 K CB 0.364 32.908 32.500 0.073 0.000 0.934 131 K HN 0.759 nan 8.250 nan 0.000 0.479 132 c N 0.000 118.624 118.600 0.041 0.000 2.653 132 c HA 0.000 4.571 4.570 0.001 0.000 0.325 132 c CA 0.000 56.319 56.329 -0.016 0.000 1.963 132 c CB 0.000 42.447 42.510 -0.104 0.000 2.134 132 c HN 0.000 nan 8.230 nan 0.000 0.568