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 1p1g_1_A DATA FIRST_RESID 1 DATA SEQUENCE GMFIVNTNVP RASVPDGFLS ELTQQLAQAT GKPPQYIAVH VVPDQLMAFG DATA SEQUENCE GSSEPCALCS LHSIGKIGGA QNRSYSKLLC GLLAERLRIS PDRVYINYYD DATA SEQUENCE MNAANVGWNN STFA 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 3.960 3.960 0.001 0.000 0.244 1 G C 0.000 174.948 174.900 0.080 0.000 0.946 1 G CA 0.000 45.122 45.100 0.037 0.000 0.502 2 M N 2.292 121.978 119.600 0.144 0.000 2.165 2 M HA 0.669 5.149 4.480 0.001 0.000 0.283 2 M C -2.116 174.349 176.300 0.274 0.000 0.978 2 M CA -0.898 54.503 55.300 0.169 0.000 0.948 2 M CB 1.736 34.406 32.600 0.116 0.000 1.599 2 M HN 0.459 nan 8.290 nan 0.000 0.450 3 F N 6.841 126.831 119.950 0.065 0.000 2.449 3 F HA 0.656 5.184 4.527 0.001 0.000 0.342 3 F C -1.334 174.507 175.800 0.067 0.000 1.127 3 F CA -0.922 57.107 58.000 0.049 0.000 0.975 3 F CB 0.919 39.908 39.000 -0.018 0.000 1.146 3 F HN 0.367 nan 8.300 nan 0.000 0.444 4 I N 6.862 127.066 120.570 -0.610 0.000 2.530 4 I HA 0.514 4.685 4.170 0.001 0.000 0.297 4 I C -0.906 174.734 176.117 -0.795 0.000 1.011 4 I CA -1.064 59.934 61.300 -0.503 0.000 1.107 4 I CB 1.468 39.339 38.000 -0.215 0.000 1.285 4 I HN 0.241 nan 8.210 nan 0.000 0.436 5 V N 5.048 124.642 119.914 -0.533 0.000 2.525 5 V HA 0.418 4.538 4.120 0.001 0.000 0.299 5 V C -0.509 175.463 176.094 -0.202 0.000 1.034 5 V CA -0.729 61.366 62.300 -0.340 0.000 0.863 5 V CB 1.757 33.501 31.823 -0.131 0.000 0.999 5 V HN 0.707 nan 8.190 nan 0.000 0.423 6 N N 1.940 120.560 118.700 -0.133 0.000 2.372 6 N HA 0.756 5.497 4.740 0.001 0.000 0.291 6 N C -0.556 174.937 175.510 -0.029 0.000 1.024 6 N CA -0.322 52.675 53.050 -0.088 0.000 0.873 6 N CB 2.137 40.581 38.487 -0.071 0.000 1.206 6 N HN 0.759 nan 8.380 nan 0.000 0.486 7 T N -0.030 114.513 114.554 -0.019 0.000 2.889 7 T HA 0.251 4.601 4.350 0.001 0.000 0.315 7 T C -0.037 174.661 174.700 -0.004 0.000 1.291 7 T CA -0.765 61.334 62.100 -0.002 0.000 1.028 7 T CB 0.678 69.549 68.868 0.004 0.000 1.235 7 T HN 0.602 nan 8.240 nan 0.000 0.491 8 N N 1.883 120.581 118.700 -0.002 0.000 2.463 8 N HA 0.030 4.771 4.740 0.001 0.000 0.181 8 N C 0.611 176.114 175.510 -0.011 0.000 1.078 8 N CA 0.159 53.207 53.050 -0.003 0.000 0.902 8 N CB -0.538 37.950 38.487 0.002 0.000 0.970 8 N HN 0.336 nan 8.380 nan 0.000 0.451 9 V N 2.551 122.454 119.914 -0.018 0.000 2.694 9 V HA 0.056 4.176 4.120 0.001 0.000 0.306 9 V C -1.922 174.159 176.094 -0.021 0.000 1.054 9 V CA -0.837 61.446 62.300 -0.028 0.000 1.161 9 V CB 0.217 32.013 31.823 -0.045 0.000 0.916 9 V HN 0.158 nan 8.190 nan 0.000 0.490 10 P HA 0.112 nan 4.420 nan 0.000 0.269 10 P C 0.746 178.038 177.300 -0.013 0.000 1.215 10 P CA -0.364 62.728 63.100 -0.013 0.000 0.780 10 P CB 0.443 32.134 31.700 -0.014 0.000 0.898 11 R N 3.023 123.522 120.500 -0.001 0.000 2.103 11 R HA -0.188 4.152 4.340 0.001 0.000 0.242 11 R C 1.785 178.086 176.300 0.001 0.000 1.142 11 R CA 2.338 58.443 56.100 0.008 0.000 0.960 11 R CB -1.419 28.891 30.300 0.017 0.000 0.858 11 R HN 0.562 nan 8.270 nan 0.000 0.439 12 A N -0.296 122.521 122.820 -0.005 0.000 2.070 12 A HA -0.074 4.246 4.320 0.001 0.000 0.220 12 A C 1.996 179.567 177.584 -0.023 0.000 1.159 12 A CA 1.682 53.714 52.037 -0.008 0.000 0.656 12 A CB -0.237 18.758 19.000 -0.008 0.000 0.800 12 A HN 0.376 nan 8.150 nan 0.000 0.453 13 S N -0.703 114.975 115.700 -0.036 0.000 2.593 13 S HA 0.171 4.641 4.470 0.001 0.000 0.217 13 S C 0.307 174.845 174.600 -0.102 0.000 0.966 13 S CA -0.119 58.044 58.200 -0.062 0.000 0.914 13 S CB 0.086 63.247 63.200 -0.064 0.000 0.776 13 S HN 0.211 nan 8.310 nan 0.000 0.523 14 V N 5.579 125.446 119.914 -0.078 0.000 2.372 14 V HA 0.217 4.337 4.120 0.001 0.000 0.261 14 V C -1.983 174.072 176.094 -0.065 0.000 1.055 14 V CA -2.098 60.137 62.300 -0.109 0.000 0.930 14 V CB 0.163 31.988 31.823 0.003 0.000 1.031 14 V HN 0.218 nan 8.190 nan 0.000 0.479 15 P HA 0.053 nan 4.420 nan 0.000 0.266 15 P C -0.315 177.025 177.300 0.068 0.000 1.195 15 P CA -0.137 62.947 63.100 -0.027 0.000 0.768 15 P CB 0.746 32.415 31.700 -0.052 0.000 0.838 16 D N 0.975 121.410 120.400 0.059 0.000 2.455 16 D HA 0.303 4.943 4.640 0.001 0.000 0.241 16 D C 1.550 177.913 176.300 0.104 0.000 1.138 16 D CA 1.959 56.005 54.000 0.077 0.000 0.877 16 D CB -0.086 40.744 40.800 0.050 0.000 1.187 16 D HN 0.675 nan 8.370 nan 0.000 0.451 17 G N 2.460 111.331 108.800 0.118 0.000 2.195 17 G HA2 -0.363 3.597 3.960 0.001 0.000 0.246 17 G HA3 -0.363 3.597 3.960 0.001 0.000 0.246 17 G C 0.923 175.928 174.900 0.175 0.000 0.984 17 G CA 0.244 45.413 45.100 0.116 0.000 0.633 17 G HN 0.518 nan 8.290 nan 0.000 0.525 18 F N 1.610 121.582 119.950 0.036 0.000 2.126 18 F HA 0.047 4.574 4.527 0.001 0.000 0.299 18 F C 2.463 178.298 175.800 0.059 0.000 1.096 18 F CA 1.985 60.012 58.000 0.045 0.000 1.255 18 F CB -0.251 38.779 39.000 0.049 0.000 0.997 18 F HN 0.167 nan 8.300 nan 0.000 0.479 19 L N -0.853 120.385 121.223 0.024 0.000 2.083 19 L HA -0.204 4.136 4.340 0.001 0.000 0.209 19 L C 2.461 179.295 176.870 -0.060 0.000 1.083 19 L CA 1.757 56.558 54.840 -0.065 0.000 0.752 19 L CB -1.682 40.395 42.059 0.029 0.000 0.899 19 L HN 0.156 nan 8.230 nan 0.000 0.433 20 S N -0.455 115.240 115.700 -0.007 0.000 2.368 20 S HA -0.204 4.266 4.470 0.001 0.000 0.224 20 S C 1.867 176.452 174.600 -0.026 0.000 1.029 20 S CA 1.273 59.470 58.200 -0.006 0.000 0.988 20 S CB -0.054 63.157 63.200 0.019 0.000 0.838 20 S HN 0.436 nan 8.310 nan 0.000 0.462 21 E N 1.121 121.310 120.200 -0.018 0.000 2.077 21 E HA -0.134 4.216 4.350 0.001 0.000 0.193 21 E C 1.978 178.524 176.600 -0.091 0.000 0.989 21 E CA 0.921 57.308 56.400 -0.021 0.000 0.800 21 E CB -0.191 29.539 29.700 0.050 0.000 0.746 21 E HN 0.403 nan 8.360 nan 0.000 0.452 22 L N 0.419 121.524 121.223 -0.196 0.000 2.012 22 L HA -0.198 4.143 4.340 0.001 0.000 0.210 22 L C 2.682 179.468 176.870 -0.141 0.000 1.073 22 L CA 1.762 56.460 54.840 -0.236 0.000 0.748 22 L CB -0.647 41.214 42.059 -0.329 0.000 0.891 22 L HN 0.257 nan 8.230 nan 0.000 0.431 23 T N -1.176 113.324 114.554 -0.091 0.000 2.684 23 T HA -0.222 4.128 4.350 0.001 0.000 0.267 23 T C 1.913 176.578 174.700 -0.059 0.000 1.036 23 T CA 1.180 63.248 62.100 -0.054 0.000 1.148 23 T CB -0.156 68.695 68.868 -0.029 0.000 0.863 23 T HN 0.289 nan 8.240 nan 0.000 0.436 24 Q N 0.895 120.663 119.800 -0.054 0.000 2.046 24 Q HA -0.029 4.311 4.340 0.001 0.000 0.200 24 Q C 2.614 178.583 176.000 -0.052 0.000 0.975 24 Q CA 1.217 56.993 55.803 -0.046 0.000 0.836 24 Q CB -0.438 28.282 28.738 -0.030 0.000 0.896 24 Q HN 0.565 nan 8.270 nan 0.000 0.428 25 Q N 0.242 120.004 119.800 -0.063 0.000 2.119 25 Q HA -0.044 4.296 4.340 0.001 0.000 0.201 25 Q C 2.352 178.302 176.000 -0.083 0.000 0.972 25 Q CA 0.826 56.591 55.803 -0.064 0.000 0.847 25 Q CB -0.143 28.552 28.738 -0.071 0.000 0.903 25 Q HN 0.363 nan 8.270 nan 0.000 0.433 26 L N 0.131 121.279 121.223 -0.124 0.000 2.156 26 L HA -0.121 4.219 4.340 0.001 0.000 0.208 26 L C 2.478 179.291 176.870 -0.095 0.000 1.095 26 L CA 0.842 55.590 54.840 -0.154 0.000 0.770 26 L CB -0.533 41.407 42.059 -0.198 0.000 0.914 26 L HN 0.117 nan 8.230 nan 0.000 0.439 27 A N -0.283 122.494 122.820 -0.071 0.000 1.858 27 A HA -0.265 4.055 4.320 0.001 0.000 0.216 27 A C 2.218 179.777 177.584 -0.041 0.000 1.190 27 A CA 1.675 53.678 52.037 -0.057 0.000 0.617 27 A CB -0.524 18.439 19.000 -0.063 0.000 0.827 27 A HN 0.456 nan 8.150 nan 0.000 0.443 28 Q N -0.677 119.102 119.800 -0.035 0.000 2.030 28 Q HA -0.149 4.192 4.340 0.001 0.000 0.204 28 Q C 2.465 178.469 176.000 0.007 0.000 0.986 28 Q CA 1.527 57.319 55.803 -0.018 0.000 0.843 28 Q CB -0.451 28.277 28.738 -0.016 0.000 0.904 28 Q HN 0.672 nan 8.270 nan 0.000 0.420 29 A N 1.000 123.832 122.820 0.020 0.000 1.940 29 A HA -0.197 4.123 4.320 0.001 0.000 0.219 29 A C 2.242 179.927 177.584 0.169 0.000 1.176 29 A CA 2.080 54.177 52.037 0.101 0.000 0.631 29 A CB -0.818 18.257 19.000 0.125 0.000 0.814 29 A HN 0.561 nan 8.150 nan 0.000 0.446 30 T N -4.778 109.823 114.554 0.077 0.000 3.044 30 T HA 0.403 4.754 4.350 0.001 0.000 0.250 30 T C 1.323 176.054 174.700 0.052 0.000 1.081 30 T CA 1.050 63.205 62.100 0.091 0.000 1.040 30 T CB 0.022 68.891 68.868 0.001 0.000 0.962 30 T HN 1.763 nan 8.240 nan 0.000 0.506 31 G N 1.682 110.495 108.800 0.022 0.000 2.198 31 G HA2 -0.219 3.741 3.960 0.001 0.000 0.257 31 G HA3 -0.219 3.741 3.960 0.001 0.000 0.257 31 G C -0.263 174.630 174.900 -0.010 0.000 1.042 31 G CA 0.099 45.200 45.100 0.002 0.000 0.791 31 G HN 0.682 nan 8.290 nan 0.000 0.502 32 K N -0.140 120.246 120.400 -0.023 0.000 2.267 32 K HA 0.535 4.855 4.320 0.001 0.000 0.246 32 K C -2.721 173.790 176.600 -0.148 0.000 0.954 32 K CA -2.286 53.980 56.287 -0.035 0.000 0.824 32 K CB 2.176 34.707 32.500 0.052 0.000 1.167 32 K HN -0.067 nan 8.250 nan 0.000 0.431 33 P HA 0.043 nan 4.420 nan 0.000 0.268 33 P C -2.161 174.953 177.300 -0.310 0.000 1.205 33 P CA -1.048 61.808 63.100 -0.407 0.000 0.771 33 P CB 0.289 31.538 31.700 -0.752 0.000 0.858 34 P HA -0.184 nan 4.420 nan 0.000 0.219 34 P C 1.448 178.702 177.300 -0.077 0.000 1.146 34 P CA 1.309 64.349 63.100 -0.101 0.000 0.808 34 P CB -0.093 31.563 31.700 -0.074 0.000 0.779 35 Q N -1.963 117.762 119.800 -0.126 0.000 2.364 35 Q HA -0.134 4.207 4.340 0.001 0.000 0.207 35 Q C 1.188 177.249 176.000 0.101 0.000 0.970 35 Q CA 1.189 56.974 55.803 -0.029 0.000 0.888 35 Q CB -0.298 28.418 28.738 -0.036 0.000 0.951 35 Q HN 0.409 nan 8.270 nan 0.000 0.469 36 Y N -0.628 119.626 120.300 -0.076 0.000 2.523 36 Y HA 0.093 4.643 4.550 0.000 0.000 0.279 36 Y C 0.906 176.755 175.900 -0.084 0.000 1.139 36 Y CA -0.716 57.309 58.100 -0.124 0.000 1.296 36 Y CB 0.424 38.778 38.460 -0.177 0.000 1.045 36 Y HN -0.083 nan 8.280 nan 0.000 0.538 37 I N 1.033 121.661 120.570 0.096 0.000 2.371 37 I HA 0.373 4.543 4.170 0.001 0.000 0.290 37 I C 0.365 176.518 176.117 0.060 0.000 1.028 37 I CA -0.743 60.591 61.300 0.056 0.000 1.345 37 I CB 0.434 38.443 38.000 0.016 0.000 1.407 37 I HN -0.081 nan 8.210 nan 0.000 0.501 38 A N 6.957 129.820 122.820 0.071 0.000 2.342 38 A HA 0.798 5.119 4.320 0.001 0.000 0.323 38 A C -0.689 176.953 177.584 0.097 0.000 1.125 38 A CA -0.484 51.597 52.037 0.073 0.000 0.785 38 A CB 1.610 20.652 19.000 0.069 0.000 1.221 38 A HN 0.444 nan 8.150 nan 0.000 0.463 39 V N 2.224 122.193 119.914 0.091 0.000 2.823 39 V HA 0.512 4.632 4.120 0.001 0.000 0.312 39 V C -0.629 175.550 176.094 0.141 0.000 1.072 39 V CA -0.461 61.914 62.300 0.125 0.000 0.937 39 V CB 2.018 33.897 31.823 0.092 0.000 1.013 39 V HN 1.014 nan 8.190 nan 0.000 0.430 40 H N 2.276 121.339 119.070 -0.011 0.000 2.934 40 H HA 0.712 5.268 4.556 0.000 0.000 0.340 40 H C -1.963 173.339 175.328 -0.043 0.000 1.008 40 H CA -0.550 55.483 56.048 -0.025 0.000 1.317 40 H CB 2.108 31.847 29.762 -0.039 0.000 1.670 40 H HN 0.456 nan 8.280 nan 0.000 0.516 41 V N 6.263 126.264 119.914 0.145 0.000 2.409 41 V HA 0.227 4.347 4.120 0.001 0.000 0.291 41 V C -0.377 175.708 176.094 -0.016 0.000 1.020 41 V CA -0.729 61.594 62.300 0.038 0.000 0.848 41 V CB 1.541 33.476 31.823 0.185 0.000 0.990 41 V HN 0.520 nan 8.190 nan 0.000 0.430 42 V N 7.574 127.407 119.914 -0.136 0.000 2.284 42 V HA 0.395 4.516 4.120 0.001 0.000 0.274 42 V C -2.048 174.023 176.094 -0.037 0.000 1.023 42 V CA -1.307 60.932 62.300 -0.100 0.000 0.808 42 V CB 1.270 32.974 31.823 -0.198 0.000 1.035 42 V HN 0.704 nan 8.190 nan 0.000 0.445 43 P HA 0.381 nan 4.420 nan 0.000 0.284 43 P C -0.290 177.011 177.300 0.003 0.000 1.292 43 P CA -0.138 62.966 63.100 0.006 0.000 0.800 43 P CB 0.955 32.665 31.700 0.017 0.000 1.188 44 D N -2.585 117.815 120.400 0.001 0.000 2.911 44 D HA -0.113 4.528 4.640 0.001 0.000 0.227 44 D C -0.075 176.226 176.300 0.002 0.000 1.164 44 D CA 1.036 55.037 54.000 0.002 0.000 0.782 44 D CB -0.746 40.057 40.800 0.005 0.000 1.094 44 D HN 0.389 nan 8.370 nan 0.000 0.425 45 Q N -0.012 119.788 119.800 -0.001 0.000 2.306 45 Q HA 0.375 4.715 4.340 0.001 0.000 0.241 45 Q C 0.754 176.757 176.000 0.005 0.000 0.948 45 Q CA -0.351 55.453 55.803 0.001 0.000 0.886 45 Q CB 1.172 29.907 28.738 -0.004 0.000 1.227 45 Q HN 0.360 nan 8.270 nan 0.000 0.457 46 L N 3.615 124.841 121.223 0.006 0.000 2.334 46 L HA 0.279 4.619 4.340 0.001 0.000 0.286 46 L C -0.450 176.428 176.870 0.013 0.000 1.108 46 L CA 0.209 55.054 54.840 0.009 0.000 0.875 46 L CB -0.027 42.036 42.059 0.007 0.000 1.246 46 L HN 0.480 nan 8.230 nan 0.000 0.439 47 M N 3.325 122.936 119.600 0.018 0.000 2.691 47 M HA 0.774 5.255 4.480 0.001 0.000 0.293 47 M C -0.914 175.407 176.300 0.037 0.000 1.259 47 M CA -0.698 54.619 55.300 0.029 0.000 0.827 47 M CB 2.473 35.097 32.600 0.040 0.000 1.753 47 M HN 0.430 nan 8.290 nan 0.000 0.465 48 A N 1.277 124.126 122.820 0.048 0.000 2.517 48 A HA 0.796 5.116 4.320 0.001 0.000 0.297 48 A C -2.258 175.376 177.584 0.084 0.000 1.050 48 A CA -0.446 51.627 52.037 0.059 0.000 0.694 48 A CB 1.322 20.340 19.000 0.029 0.000 1.277 48 A HN 0.703 nan 8.150 nan 0.000 0.400 49 F N 2.159 122.079 119.950 -0.050 0.000 2.499 49 F HA 0.558 5.085 4.527 0.000 0.000 0.333 49 F C 1.062 176.825 175.800 -0.062 0.000 1.138 49 F CA 0.445 58.394 58.000 -0.085 0.000 0.945 49 F CB 1.879 40.793 39.000 -0.144 0.000 1.181 49 F HN 1.573 nan 8.300 nan 0.000 0.435 50 G N 3.179 111.965 108.800 -0.024 0.000 2.168 50 G HA2 -0.025 3.936 3.960 0.001 0.000 0.257 50 G HA3 -0.025 3.936 3.960 0.001 0.000 0.257 50 G C 1.114 176.042 174.900 0.047 0.000 0.997 50 G CA 0.628 45.759 45.100 0.051 0.000 0.708 50 G HN 2.192 nan 8.290 nan 0.000 0.520 51 G N -1.956 106.862 108.800 0.030 0.000 2.176 51 G HA2 0.043 4.003 3.960 0.001 0.000 0.253 51 G HA3 0.043 4.003 3.960 0.001 0.000 0.253 51 G C 0.480 175.402 174.900 0.037 0.000 0.979 51 G CA 1.389 46.504 45.100 0.026 0.000 0.641 51 G HN 2.138 nan 8.290 nan 0.000 0.530 52 S N -0.839 114.897 115.700 0.060 0.000 2.593 52 S HA 0.714 5.184 4.470 0.001 0.000 0.297 52 S C 1.126 175.756 174.600 0.050 0.000 1.112 52 S CA 0.577 58.807 58.200 0.049 0.000 1.043 52 S CB 1.760 64.990 63.200 0.049 0.000 1.054 52 S HN 0.441 nan 8.310 nan 0.000 0.516 53 S N 2.156 117.872 115.700 0.028 0.000 2.572 53 S HA 0.210 4.680 4.470 0.001 0.000 0.228 53 S C 0.143 174.747 174.600 0.007 0.000 0.963 53 S CA -0.344 57.869 58.200 0.020 0.000 0.939 53 S CB -0.051 63.157 63.200 0.013 0.000 0.804 53 S HN 0.649 nan 8.310 nan 0.000 0.480 54 E N 2.649 122.849 120.200 -0.000 0.000 2.422 54 E HA 0.146 4.496 4.350 0.001 0.000 0.260 54 E C -2.553 174.026 176.600 -0.035 0.000 1.108 54 E CA -2.213 54.174 56.400 -0.022 0.000 0.943 54 E CB -0.308 29.373 29.700 -0.033 0.000 0.961 54 E HN 0.046 nan 8.360 nan 0.000 0.443 55 P HA -0.072 nan 4.420 nan 0.000 0.261 55 P C -0.521 176.720 177.300 -0.098 0.000 1.183 55 P CA 0.371 63.436 63.100 -0.059 0.000 0.761 55 P CB 0.248 31.912 31.700 -0.061 0.000 0.785 56 C N 1.664 120.916 119.300 -0.080 0.000 3.323 56 C HA 0.968 5.429 4.460 0.001 0.000 0.324 56 C C -1.004 173.958 174.990 -0.047 0.000 1.428 56 C CA -1.082 57.859 59.018 -0.128 0.000 1.368 56 C CB 1.243 28.934 27.740 -0.081 0.000 1.731 56 C HN 0.637 nan 8.230 nan 0.000 0.455 57 A N 0.636 123.438 122.820 -0.030 0.000 2.547 57 A HA 0.802 5.123 4.320 0.001 0.000 0.297 57 A C -1.627 176.010 177.584 0.088 0.000 1.056 57 A CA -0.416 51.639 52.037 0.029 0.000 0.688 57 A CB 1.010 20.030 19.000 0.033 0.000 1.282 57 A HN 1.067 nan 8.150 nan 0.000 0.400 58 L N 1.649 122.920 121.223 0.081 0.000 2.343 58 L HA 0.564 4.905 4.340 0.001 0.000 0.278 58 L C -0.781 176.102 176.870 0.023 0.000 0.996 58 L CA -0.482 54.426 54.840 0.113 0.000 0.831 58 L CB 1.424 43.549 42.059 0.109 0.000 1.232 58 L HN 0.835 nan 8.230 nan 0.000 0.413 59 C N 0.999 120.312 119.300 0.022 0.000 2.973 59 C HA 0.898 5.359 4.460 0.001 0.000 0.329 59 C C 0.013 174.957 174.990 -0.077 0.000 1.327 59 C CA -0.808 58.144 59.018 -0.109 0.000 1.632 59 C CB 2.030 29.723 27.740 -0.079 0.000 2.098 59 C HN 0.840 nan 8.230 nan 0.000 0.469 60 S N 0.302 115.924 115.700 -0.129 0.000 2.533 60 S HA 0.730 5.201 4.470 0.001 0.000 0.271 60 S C -1.611 173.043 174.600 0.089 0.000 1.143 60 S CA -0.518 57.676 58.200 -0.010 0.000 0.891 60 S CB 1.373 64.690 63.200 0.194 0.000 1.105 60 S HN 0.852 nan 8.310 nan 0.000 0.468 61 L N 2.561 123.823 121.223 0.064 0.000 2.349 61 L HA 0.690 5.030 4.340 0.001 0.000 0.278 61 L C -1.559 175.416 176.870 0.174 0.000 0.996 61 L CA -0.118 54.863 54.840 0.235 0.000 0.825 61 L CB 1.184 43.383 42.059 0.234 0.000 1.243 61 L HN 0.964 nan 8.230 nan 0.000 0.412 62 H N 2.591 121.806 119.070 0.242 0.000 2.466 62 H HA 0.816 5.373 4.556 0.000 0.000 0.338 62 H C -0.780 174.628 175.328 0.132 0.000 1.091 62 H CA -0.338 55.844 56.048 0.223 0.000 1.207 62 H CB 1.878 31.719 29.762 0.132 0.000 1.466 62 H HN 0.576 nan 8.280 nan 0.000 0.493 63 S N 2.403 118.236 115.700 0.222 0.000 2.543 63 S HA 0.339 4.810 4.470 0.001 0.000 0.273 63 S C -0.980 173.666 174.600 0.077 0.000 1.152 63 S CA -0.763 57.504 58.200 0.110 0.000 0.910 63 S CB 0.633 63.883 63.200 0.083 0.000 1.105 63 S HN 0.570 nan 8.310 nan 0.000 0.465 64 I N 4.814 125.383 120.570 -0.001 0.000 2.372 64 I HA 0.433 4.603 4.170 0.001 0.000 0.298 64 I C 1.188 177.297 176.117 -0.013 0.000 1.137 64 I CA 0.810 62.097 61.300 -0.021 0.000 1.314 64 I CB -0.611 37.316 38.000 -0.121 0.000 1.444 64 I HN 1.008 nan 8.210 nan 0.000 0.541 65 G N 5.665 114.480 108.800 0.026 0.000 2.741 65 G HA2 -0.234 3.726 3.960 0.001 0.000 0.222 65 G HA3 -0.234 3.726 3.960 0.001 0.000 0.222 65 G C 0.354 175.284 174.900 0.050 0.000 1.364 65 G CA -0.536 44.581 45.100 0.027 0.000 0.866 65 G HN 0.569 nan 8.290 nan 0.000 0.555 66 K N -2.294 118.137 120.400 0.052 0.000 3.341 66 K HA -0.167 4.154 4.320 0.001 0.000 0.305 66 K C 0.482 177.176 176.600 0.156 0.000 1.270 66 K CA 1.759 58.104 56.287 0.097 0.000 0.897 66 K CB -1.583 30.987 32.500 0.116 0.000 1.264 66 K HN 0.915 nan 8.250 nan 0.000 0.468 67 I N 0.306 120.931 120.570 0.092 0.000 2.433 67 I HA 0.677 4.848 4.170 0.001 0.000 0.292 67 I C 0.911 177.017 176.117 -0.018 0.000 1.001 67 I CA -0.172 61.173 61.300 0.075 0.000 1.119 67 I CB 1.746 39.804 38.000 0.095 0.000 1.289 67 I HN 0.224 nan 8.210 nan 0.000 0.438 68 G N 2.864 111.604 108.800 -0.100 0.000 2.451 68 G HA2 0.418 4.378 3.960 0.001 0.000 0.292 68 G HA3 0.418 4.378 3.960 0.001 0.000 0.292 68 G C 0.409 175.206 174.900 -0.172 0.000 1.427 68 G CA -0.100 44.933 45.100 -0.112 0.000 0.792 68 G HN 0.706 nan 8.290 nan 0.000 0.498 69 G N 0.238 108.960 108.800 -0.131 0.000 2.586 69 G HA2 0.084 4.044 3.960 0.001 0.000 0.218 69 G HA3 0.084 4.044 3.960 0.001 0.000 0.218 69 G C 2.056 176.851 174.900 -0.174 0.000 1.216 69 G CA 2.712 47.732 45.100 -0.134 0.000 0.786 69 G HN 1.652 nan 8.290 nan 0.000 0.583 70 A N -0.083 122.637 122.820 -0.167 0.000 1.898 70 A HA -0.029 4.292 4.320 0.001 0.000 0.216 70 A C 2.372 179.781 177.584 -0.291 0.000 1.181 70 A CA 1.968 53.895 52.037 -0.184 0.000 0.620 70 A CB -0.431 18.484 19.000 -0.141 0.000 0.819 70 A HN 0.491 nan 8.150 nan 0.000 0.442 71 Q N -0.306 119.270 119.800 -0.374 0.000 2.050 71 Q HA -0.185 4.155 4.340 0.001 0.000 0.202 71 Q C 1.868 177.255 176.000 -1.021 0.000 0.980 71 Q CA 1.578 56.974 55.803 -0.677 0.000 0.840 71 Q CB -0.239 28.147 28.738 -0.586 0.000 0.898 71 Q HN 0.630 nan 8.270 nan 0.000 0.424 72 N N 0.454 118.718 118.700 -0.726 0.000 2.166 72 N HA -0.154 4.587 4.740 0.001 0.000 0.186 72 N C 1.486 176.721 175.510 -0.459 0.000 1.019 72 N CA 1.003 53.573 53.050 -0.799 0.000 0.856 72 N CB -0.226 37.783 38.487 -0.796 0.000 0.993 72 N HN 0.162 nan 8.380 nan 0.000 0.426 73 R N 0.539 120.853 120.500 -0.311 0.000 2.081 73 R HA -0.072 4.268 4.340 0.001 0.000 0.235 73 R C 2.054 178.279 176.300 -0.124 0.000 1.131 73 R CA 1.653 57.661 56.100 -0.154 0.000 0.960 73 R CB -0.065 30.161 30.300 -0.123 0.000 0.856 73 R HN 0.392 nan 8.270 nan 0.000 0.436 74 S N -0.910 114.660 115.700 -0.217 0.000 2.436 74 S HA -0.075 4.395 4.470 0.001 0.000 0.228 74 S C 1.681 176.268 174.600 -0.022 0.000 1.014 74 S CA 0.316 58.436 58.200 -0.134 0.000 0.950 74 S CB -0.328 62.775 63.200 -0.161 0.000 0.784 74 S HN 0.276 nan 8.310 nan 0.000 0.504 75 Y N 2.927 123.192 120.300 -0.059 0.000 2.181 75 Y HA 0.027 4.577 4.550 0.001 0.000 0.288 75 Y C 3.042 178.991 175.900 0.081 0.000 1.146 75 Y CA 0.303 58.403 58.100 0.001 0.000 1.164 75 Y CB -1.212 37.265 38.460 0.028 0.000 0.982 75 Y HN 0.284 nan 8.280 nan 0.000 0.515 76 S N -0.175 115.693 115.700 0.281 0.000 2.382 76 S HA -0.187 4.283 4.470 0.001 0.000 0.228 76 S C 1.956 176.639 174.600 0.138 0.000 1.027 76 S CA 1.393 59.739 58.200 0.243 0.000 0.991 76 S CB -0.190 63.144 63.200 0.223 0.000 0.823 76 S HN 0.435 nan 8.310 nan 0.000 0.469 77 K N 0.691 121.145 120.400 0.090 0.000 2.001 77 K HA -0.025 4.295 4.320 0.001 0.000 0.208 77 K C 2.132 178.766 176.600 0.056 0.000 1.048 77 K CA 1.049 57.370 56.287 0.057 0.000 0.932 77 K CB -0.404 32.112 32.500 0.028 0.000 0.715 77 K HN 0.166 nan 8.250 nan 0.000 0.437 78 L N 1.114 122.375 121.223 0.062 0.000 1.989 78 L HA -0.200 4.140 4.340 0.001 0.000 0.211 78 L C 1.882 178.768 176.870 0.026 0.000 1.071 78 L CA 1.699 56.564 54.840 0.042 0.000 0.749 78 L CB -0.519 41.569 42.059 0.049 0.000 0.890 78 L HN 0.070 nan 8.230 nan 0.000 0.431 79 L N -0.681 120.556 121.223 0.023 0.000 2.017 79 L HA -0.212 4.128 4.340 0.001 0.000 0.208 79 L C 2.713 179.634 176.870 0.086 0.000 1.073 79 L CA 1.651 56.492 54.840 0.001 0.000 0.745 79 L CB -1.730 40.313 42.059 -0.027 0.000 0.894 79 L HN 0.427 nan 8.230 nan 0.000 0.432 80 C N -0.521 118.836 119.300 0.094 0.000 2.425 80 C HA -0.082 4.378 4.460 0.001 0.000 0.277 80 C C 2.844 177.872 174.990 0.063 0.000 1.280 80 C CA 0.582 59.649 59.018 0.081 0.000 1.744 80 C CB -1.544 26.237 27.740 0.069 0.000 1.989 80 C HN 0.694 nan 8.230 nan 0.000 0.491 81 G N 0.342 109.176 108.800 0.057 0.000 2.421 81 G HA2 -0.167 3.793 3.960 0.001 0.000 0.216 81 G HA3 -0.167 3.793 3.960 0.001 0.000 0.216 81 G C 1.407 176.346 174.900 0.065 0.000 1.171 81 G CA 0.675 45.803 45.100 0.047 0.000 0.775 81 G HN 0.332 nan 8.290 nan 0.000 0.543 82 L N 0.513 121.792 121.223 0.093 0.000 2.017 82 L HA 0.068 4.408 4.340 0.001 0.000 0.208 82 L C 2.985 179.977 176.870 0.203 0.000 1.073 82 L CA 1.094 56.034 54.840 0.167 0.000 0.745 82 L CB -1.085 41.088 42.059 0.190 0.000 0.894 82 L HN 0.206 nan 8.230 nan 0.000 0.432 83 L N -1.272 120.065 121.223 0.191 0.000 2.046 83 L HA -0.193 4.148 4.340 0.001 0.000 0.208 83 L C 2.637 179.526 176.870 0.032 0.000 1.077 83 L CA 1.152 56.080 54.840 0.146 0.000 0.747 83 L CB -0.780 41.371 42.059 0.152 0.000 0.896 83 L HN 0.251 nan 8.230 nan 0.000 0.432 84 A N -0.146 122.690 122.820 0.028 0.000 1.858 84 A HA -0.256 4.064 4.320 0.001 0.000 0.216 84 A C 2.304 179.878 177.584 -0.016 0.000 1.190 84 A CA 1.913 53.946 52.037 -0.005 0.000 0.617 84 A CB -0.540 18.460 19.000 -0.001 0.000 0.827 84 A HN 0.462 nan 8.150 nan 0.000 0.443 85 E N -0.524 119.677 120.200 0.001 0.000 2.047 85 E HA -0.181 4.169 4.350 0.001 0.000 0.191 85 E C 2.236 178.812 176.600 -0.040 0.000 0.987 85 E CA 0.967 57.363 56.400 -0.007 0.000 0.799 85 E CB -0.076 29.634 29.700 0.017 0.000 0.752 85 E HN 0.515 nan 8.360 nan 0.000 0.449 86 R N -0.154 120.309 120.500 -0.062 0.000 2.127 86 R HA 0.057 4.397 4.340 0.001 0.000 0.217 86 R C 2.118 178.241 176.300 -0.296 0.000 1.074 86 R CA 0.612 56.596 56.100 -0.193 0.000 0.991 86 R CB 0.024 30.147 30.300 -0.295 0.000 0.895 86 R HN 0.294 nan 8.270 nan 0.000 0.450 87 L N 0.183 121.258 121.223 -0.248 0.000 2.766 87 L HA 0.294 4.634 4.340 0.001 0.000 0.242 87 L C -0.053 176.747 176.870 -0.117 0.000 1.136 87 L CA -0.228 54.484 54.840 -0.212 0.000 0.933 87 L CB 0.173 42.107 42.059 -0.207 0.000 1.241 87 L HN 0.025 nan 8.230 nan 0.000 0.522 88 R N 0.468 120.915 120.500 -0.089 0.000 3.525 88 R HA -0.159 4.181 4.340 0.001 0.000 0.276 88 R C -0.405 175.857 176.300 -0.063 0.000 1.116 88 R CA 0.545 56.606 56.100 -0.065 0.000 0.745 88 R CB -2.266 27.997 30.300 -0.061 0.000 1.185 88 R HN 0.286 nan 8.270 nan 0.000 0.454 89 I N 0.078 120.611 120.570 -0.061 0.000 2.353 89 I HA 0.126 4.297 4.170 0.001 0.000 0.293 89 I C 1.001 177.070 176.117 -0.079 0.000 0.992 89 I CA -0.441 60.815 61.300 -0.074 0.000 1.268 89 I CB 1.782 39.742 38.000 -0.067 0.000 1.387 89 I HN 0.096 nan 8.210 nan 0.000 0.478 90 S N 6.993 122.630 115.700 -0.106 0.000 2.549 90 S HA 0.168 4.638 4.470 0.001 0.000 0.283 90 S C -1.492 173.030 174.600 -0.130 0.000 1.320 90 S CA -1.029 57.108 58.200 -0.106 0.000 1.058 90 S CB 0.832 63.959 63.200 -0.120 0.000 0.882 90 S HN 0.371 nan 8.310 nan 0.000 0.498 91 P HA -0.117 nan 4.420 nan 0.000 0.218 91 P C 0.652 177.890 177.300 -0.102 0.000 1.146 91 P CA 1.062 64.125 63.100 -0.062 0.000 0.813 91 P CB -0.036 31.652 31.700 -0.019 0.000 0.778 92 D N -1.508 118.809 120.400 -0.139 0.000 2.336 92 D HA -0.066 4.574 4.640 0.001 0.000 0.229 92 D C 0.946 176.973 176.300 -0.455 0.000 1.061 92 D CA 0.319 54.222 54.000 -0.162 0.000 0.875 92 D CB -0.454 40.302 40.800 -0.073 0.000 0.904 92 D HN 0.166 nan 8.370 nan 0.000 0.525 93 R N 0.079 120.179 120.500 -0.666 0.000 2.700 93 R HA 0.337 4.677 4.340 0.001 0.000 0.399 93 R C -0.903 174.725 176.300 -1.121 0.000 1.115 93 R CA -0.228 55.029 56.100 -1.406 0.000 1.058 93 R CB 1.468 31.283 30.300 -0.808 0.000 1.389 93 R HN -0.024 nan 8.270 nan 0.000 0.582 94 V N 1.224 120.762 119.914 -0.626 0.000 2.638 94 V HA 0.393 4.513 4.120 0.001 0.000 0.306 94 V C -1.159 175.006 176.094 0.119 0.000 1.052 94 V CA -0.898 61.308 62.300 -0.156 0.000 0.885 94 V CB 2.078 33.885 31.823 -0.027 0.000 0.999 94 V HN 0.079 nan 8.190 nan 0.000 0.424 95 Y N 4.315 124.753 120.300 0.230 0.000 2.409 95 Y HA 0.715 5.265 4.550 0.001 0.000 0.343 95 Y C -0.061 175.877 175.900 0.064 0.000 0.973 95 Y CA -1.814 56.392 58.100 0.177 0.000 1.064 95 Y CB 2.061 40.628 38.460 0.178 0.000 1.207 95 Y HN 0.447 nan 8.280 nan 0.000 0.452 96 I N 3.460 124.122 120.570 0.153 0.000 2.478 96 I HA 0.325 4.496 4.170 0.001 0.000 0.287 96 I C -0.834 175.072 176.117 -0.352 0.000 1.042 96 I CA -0.576 60.662 61.300 -0.103 0.000 1.067 96 I CB 1.676 39.575 38.000 -0.167 0.000 1.233 96 I HN 0.534 nan 8.210 nan 0.000 0.431 97 N N 5.135 123.622 118.700 -0.355 0.000 2.438 97 N HA 0.464 5.205 4.740 0.001 0.000 0.282 97 N C -1.524 173.531 175.510 -0.760 0.000 1.037 97 N CA -0.539 52.221 53.050 -0.482 0.000 0.942 97 N CB 1.178 39.466 38.487 -0.331 0.000 1.136 97 N HN 0.358 nan 8.380 nan 0.000 0.481 98 Y N 1.760 121.751 120.300 -0.514 0.000 2.341 98 Y HA 0.366 4.917 4.550 0.001 0.000 0.337 98 Y C -0.832 174.669 175.900 -0.666 0.000 1.014 98 Y CA -0.523 57.339 58.100 -0.397 0.000 1.111 98 Y CB 0.830 39.215 38.460 -0.125 0.000 1.194 98 Y HN 0.431 nan 8.280 nan 0.000 0.462 99 Y N 1.309 121.611 120.300 0.003 0.000 2.329 99 Y HA 0.224 4.774 4.550 0.000 0.000 0.328 99 Y C -0.552 175.381 175.900 0.054 0.000 0.992 99 Y CA -1.538 56.541 58.100 -0.035 0.000 1.151 99 Y CB 1.395 39.714 38.460 -0.234 0.000 1.150 99 Y HN 0.498 nan 8.280 nan 0.000 0.450 100 D N 4.413 124.929 120.400 0.194 0.000 2.441 100 D HA 0.174 4.814 4.640 0.001 0.000 0.221 100 D C -0.408 175.983 176.300 0.150 0.000 1.156 100 D CA -0.160 53.925 54.000 0.143 0.000 0.896 100 D CB 0.450 41.305 40.800 0.092 0.000 1.028 100 D HN 0.298 nan 8.370 nan 0.000 0.509 101 M N 2.464 122.159 119.600 0.158 0.000 2.233 101 M HA 0.140 4.621 4.480 0.001 0.000 0.350 101 M C 0.626 176.981 176.300 0.092 0.000 1.176 101 M CA -0.295 55.088 55.300 0.139 0.000 1.150 101 M CB 0.497 33.186 32.600 0.149 0.000 1.530 101 M HN 0.306 nan 8.290 nan 0.000 0.459 102 N N 1.302 120.054 118.700 0.087 0.000 2.514 102 N HA 0.217 4.957 4.740 0.001 0.000 0.277 102 N C 0.579 176.139 175.510 0.083 0.000 1.126 102 N CA 0.205 53.298 53.050 0.071 0.000 0.978 102 N CB 1.395 39.921 38.487 0.065 0.000 1.106 102 N HN 0.712 nan 8.380 nan 0.000 0.461 103 A N 3.900 126.768 122.820 0.080 0.000 1.940 103 A HA -0.142 4.178 4.320 0.001 0.000 0.219 103 A C 1.980 179.657 177.584 0.155 0.000 1.176 103 A CA 2.029 54.144 52.037 0.130 0.000 0.631 103 A CB -0.744 18.327 19.000 0.118 0.000 0.814 103 A HN 0.794 nan 8.150 nan 0.000 0.446 104 A N -0.651 122.229 122.820 0.101 0.000 2.172 104 A HA -0.055 4.266 4.320 0.001 0.000 0.216 104 A C 1.458 179.085 177.584 0.071 0.000 1.154 104 A CA 1.272 53.356 52.037 0.078 0.000 0.701 104 A CB -0.318 18.715 19.000 0.055 0.000 0.789 104 A HN 0.492 nan 8.150 nan 0.000 0.465 105 N N -0.496 118.254 118.700 0.083 0.000 2.214 105 N HA 0.175 4.915 4.740 0.001 0.000 0.214 105 N C -0.793 174.768 175.510 0.086 0.000 1.132 105 N CA 0.307 53.399 53.050 0.070 0.000 0.856 105 N CB 1.111 39.635 38.487 0.063 0.000 1.020 105 N HN 0.135 nan 8.380 nan 0.000 0.509 106 V N 0.517 120.513 119.914 0.137 0.000 2.349 106 V HA 0.537 4.658 4.120 0.001 0.000 0.284 106 V C 0.602 176.804 176.094 0.179 0.000 1.014 106 V CA -1.128 61.283 62.300 0.185 0.000 0.826 106 V CB 1.231 33.218 31.823 0.274 0.000 1.009 106 V HN 0.086 nan 8.190 nan 0.000 0.431 107 G N 3.299 112.158 108.800 0.098 0.000 2.415 107 G HA2 0.496 4.457 3.960 0.001 0.000 0.269 107 G HA3 0.496 4.457 3.960 0.001 0.000 0.269 107 G C -1.370 173.590 174.900 0.101 0.000 1.209 107 G CA -0.275 44.847 45.100 0.036 0.000 0.835 107 G HN 0.834 nan 8.290 nan 0.000 0.534 108 W N 2.628 123.782 121.300 -0.245 0.000 3.707 108 W HA 0.388 5.049 4.660 0.000 0.000 0.294 108 W C -0.130 176.238 176.519 -0.253 0.000 1.248 108 W CA -0.920 56.283 57.345 -0.237 0.000 1.217 108 W CB 0.559 29.810 29.460 -0.349 0.000 1.306 108 W HN 0.803 nan 8.180 nan 0.000 0.532 109 N N 4.963 123.041 118.700 -1.037 0.000 2.688 109 N HA -0.335 4.405 4.740 0.001 0.000 0.258 109 N C 0.195 175.356 175.510 -0.583 0.000 1.016 109 N CA 1.651 54.061 53.050 -1.067 0.000 0.747 109 N CB -0.852 36.420 38.487 -2.024 0.000 0.895 109 N HN 0.900 nan 8.380 nan 0.000 0.543 110 N N -1.412 117.073 118.700 -0.358 0.000 2.778 110 N HA -0.225 4.516 4.740 0.001 0.000 0.249 110 N C -0.506 174.892 175.510 -0.187 0.000 1.069 110 N CA 1.369 54.282 53.050 -0.228 0.000 0.831 110 N CB -0.833 37.532 38.487 -0.204 0.000 1.142 110 N HN 0.574 nan 8.380 nan 0.000 0.573 111 S N -2.518 113.059 115.700 -0.205 0.000 2.873 111 S HA 0.758 5.228 4.470 0.001 0.000 0.303 111 S C -0.687 173.824 174.600 -0.147 0.000 1.222 111 S CA 0.046 58.158 58.200 -0.147 0.000 0.923 111 S CB 1.017 64.134 63.200 -0.139 0.000 1.286 111 S HN 0.305 nan 8.310 nan 0.000 0.571 112 T N -1.060 113.417 114.554 -0.127 0.000 2.724 112 T HA 0.657 5.007 4.350 0.001 0.000 0.274 112 T C -0.186 174.398 174.700 -0.193 0.000 0.984 112 T CA -0.391 61.634 62.100 -0.125 0.000 1.024 112 T CB 0.358 69.222 68.868 -0.006 0.000 1.320 112 T HN 0.334 nan 8.240 nan 0.000 0.555 113 F N 0.929 120.922 119.950 0.071 0.000 2.765 113 F HA 0.578 5.105 4.527 0.000 0.000 0.302 113 F C 1.811 177.625 175.800 0.023 0.000 1.111 113 F CA -0.322 57.700 58.000 0.038 0.000 1.359 113 F CB -0.551 38.434 39.000 -0.025 0.000 1.097 113 F HN 0.800 nan 8.300 nan 0.000 0.577 114 A N 0.000 122.913 122.820 0.155 0.000 2.254 114 A HA 0.000 4.320 4.320 0.001 0.000 0.244 114 A CA 0.000 52.099 52.037 0.103 0.000 0.836 114 A CB 0.000 19.042 19.000 0.070 0.000 0.831 114 A HN 0.000 nan 8.150 nan 0.000 0.486