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 1cd8_1_A DATA FIRST_RESID 1 DATA SEQUENCE SQFRVSPLDR TWNLGETVEL KcQVLLSNPT SGCSWLFQPR GAAASPTFLL DATA SEQUENCE YLSQNKPKAA EGLDTQRFSG KRLGDTFVLT LSDFRRENEG YYFcSALSNS DATA SEQUENCE IMYFSHFVPV FLPA 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 0.000 174.621 174.600 0.035 0.000 1.055 1 S CA 0.000 58.210 58.200 0.016 0.000 1.107 1 S CB 0.000 63.134 63.200 -0.111 0.000 0.593 2 Q N 0.406 120.211 119.800 0.007 0.000 2.242 2 Q HA 0.249 nan 4.340 nan 0.000 0.246 2 Q C -1.490 174.240 176.000 -0.451 0.000 0.883 2 Q CA 0.153 55.801 55.803 -0.260 0.000 0.984 2 Q CB 0.507 28.944 28.738 -0.500 0.000 1.096 2 Q HN 0.519 8.884 8.270 0.158 0.000 0.452 3 F N -1.446 118.473 119.950 -0.051 0.000 2.645 3 F HA 0.475 nan 4.527 nan 0.000 0.310 3 F C -1.532 174.286 175.800 0.030 0.000 1.102 3 F CA -1.216 56.776 58.000 -0.014 0.000 0.952 3 F CB 3.890 42.873 39.000 -0.028 0.000 1.326 3 F HN -0.640 7.631 8.300 0.100 0.088 0.456 4 R N 1.492 122.157 120.500 0.276 0.000 2.532 4 R HA 0.463 nan 4.340 nan 0.000 0.297 4 R C -2.412 174.049 176.300 0.269 0.000 0.984 4 R CA -1.195 55.046 56.100 0.234 0.000 0.884 4 R CB 3.758 34.158 30.300 0.166 0.000 1.182 4 R HN 0.415 8.862 8.270 0.295 0.000 0.442 5 V N 0.476 120.560 119.914 0.282 0.000 2.769 5 V HA 0.899 nan 4.120 nan 0.000 0.312 5 V C -1.353 174.907 176.094 0.276 0.000 1.058 5 V CA -3.630 58.856 62.300 0.311 0.000 0.952 5 V CB 1.614 33.653 31.823 0.359 0.000 1.019 5 V HN 0.326 8.686 8.190 0.283 0.000 0.445 6 S N 0.941 116.811 115.700 0.283 0.000 2.565 6 S HA 0.582 nan 4.470 nan 0.000 0.269 6 S C -2.928 171.819 174.600 0.245 0.000 1.153 6 S CA -1.766 56.574 58.200 0.232 0.000 0.835 6 S CB 1.878 65.186 63.200 0.180 0.000 1.122 6 S HN 0.590 9.096 8.310 0.327 0.000 0.462 7 P HA 0.256 nan 4.420 nan 0.000 0.292 7 P C -1.738 175.706 177.300 0.240 0.000 1.283 7 P CA -0.370 62.852 63.100 0.204 0.000 0.835 7 P CB 0.981 32.767 31.700 0.143 0.000 1.017 8 L N 0.630 121.954 121.223 0.169 0.000 2.313 8 L HA 0.152 nan 4.340 nan 0.000 0.268 8 L C 0.175 177.098 176.870 0.089 0.000 1.010 8 L CA -0.189 54.753 54.840 0.169 0.000 0.814 8 L CB 1.188 43.350 42.059 0.172 0.000 1.304 8 L HN -0.148 8.162 8.230 0.133 0.000 0.441 9 D N -0.188 120.271 120.400 0.098 0.000 2.705 9 D HA -0.316 nan 4.640 nan 0.000 0.240 9 D C -1.685 174.607 176.300 -0.014 0.000 1.137 9 D CA 1.097 55.129 54.000 0.053 0.000 0.677 9 D CB -0.872 39.950 40.800 0.037 0.000 1.049 9 D HN 0.269 8.729 8.370 0.150 0.000 0.427 10 R N -4.169 116.305 120.500 -0.042 0.000 2.733 10 R HA 0.367 nan 4.340 nan 0.000 0.272 10 R C -1.911 174.268 176.300 -0.202 0.000 1.029 10 R CA -1.093 54.884 56.100 -0.205 0.000 0.888 10 R CB 1.562 31.608 30.300 -0.423 0.000 1.251 10 R HN -0.326 7.971 8.270 0.044 0.000 0.464 11 T N -6.074 108.307 114.554 -0.287 0.000 2.773 11 T HA 0.610 nan 4.350 nan 0.000 0.278 11 T C -1.714 172.811 174.700 -0.293 0.000 1.011 11 T CA -1.824 60.248 62.100 -0.047 0.000 1.014 11 T CB 2.532 71.452 68.868 0.086 0.000 1.293 11 T HN 0.069 8.100 8.240 -0.348 0.000 0.554 12 W N -1.915 119.333 121.300 -0.087 0.000 3.033 12 W HA 0.311 nan 4.660 nan 0.000 0.336 12 W C -1.929 174.615 176.519 0.043 0.000 1.173 12 W CA -0.736 56.511 57.345 -0.163 0.000 1.185 12 W CB 3.924 33.036 29.460 -0.580 0.000 1.425 12 W HN 0.035 8.440 8.180 0.374 0.000 0.536 13 N N 0.080 118.940 118.700 0.266 0.000 2.482 13 N HA 0.229 nan 4.740 nan 0.000 0.279 13 N C -0.998 174.729 175.510 0.361 0.000 1.182 13 N CA -0.621 52.582 53.050 0.255 0.000 0.969 13 N CB 1.391 39.954 38.487 0.127 0.000 1.201 13 N HN 0.079 8.839 8.380 0.195 -0.263 0.523 14 L N 0.050 121.420 121.223 0.245 0.000 2.453 14 L HA -0.319 nan 4.340 nan 0.000 0.272 14 L C 1.116 178.062 176.870 0.126 0.000 1.182 14 L CA 2.040 56.974 54.840 0.158 0.000 0.858 14 L CB -0.816 41.259 42.059 0.027 0.000 1.120 14 L HN 0.153 8.487 8.230 0.174 0.000 0.474 15 G N 1.858 110.725 108.800 0.112 0.000 2.253 15 G HA2 -0.455 nan 3.960 nan 0.000 0.251 15 G HA3 -0.455 nan 3.960 nan 0.000 0.251 15 G C -0.399 174.555 174.900 0.091 0.000 0.998 15 G CA -0.258 44.883 45.100 0.069 0.000 0.621 15 G HN 0.811 9.042 8.290 0.106 0.123 0.524 16 E N 1.439 121.734 120.200 0.159 0.000 2.398 16 E HA -0.066 nan 4.350 nan 0.000 0.263 16 E C -0.390 176.252 176.600 0.071 0.000 1.046 16 E CA 0.406 56.885 56.400 0.132 0.000 0.908 16 E CB 1.043 30.877 29.700 0.223 0.000 0.963 16 E HN -0.339 7.986 8.360 0.234 0.176 0.431 17 T N 3.428 117.999 114.554 0.028 0.000 2.738 17 T HA 0.149 nan 4.350 nan 0.000 0.294 17 T C 0.014 174.679 174.700 -0.058 0.000 0.914 17 T CA 0.169 62.237 62.100 -0.053 0.000 1.052 17 T CB -0.024 68.815 68.868 -0.049 0.000 0.897 17 T HN 0.208 8.472 8.240 0.040 0.000 0.522 18 V N 9.229 128.972 119.914 -0.284 0.000 2.470 18 V HA 0.009 nan 4.120 nan 0.000 0.276 18 V C -1.203 174.670 176.094 -0.369 0.000 1.040 18 V CA -0.089 61.883 62.300 -0.547 0.000 1.008 18 V CB 0.101 31.275 31.823 -1.081 0.000 0.990 18 V HN 0.700 8.695 8.190 -0.325 0.000 0.477 19 E N 7.542 127.632 120.200 -0.184 0.000 2.244 19 E HA 0.625 nan 4.350 nan 0.000 0.260 19 E C -1.570 174.951 176.600 -0.131 0.000 0.884 19 E CA -0.902 55.395 56.400 -0.171 0.000 0.777 19 E CB 2.753 32.413 29.700 -0.066 0.000 1.197 19 E HN 0.173 8.537 8.360 0.007 0.000 0.416 20 L N 5.890 126.960 121.223 -0.255 0.000 2.342 20 L HA 0.521 nan 4.340 nan 0.000 0.271 20 L C -1.538 175.353 176.870 0.035 0.000 1.008 20 L CA -1.119 53.628 54.840 -0.155 0.000 0.818 20 L CB 2.896 44.703 42.059 -0.420 0.000 1.296 20 L HN 0.789 8.804 8.230 -0.360 0.000 0.427 21 K N 0.164 120.721 120.400 0.261 0.000 2.378 21 K HA 0.816 nan 4.320 nan 0.000 0.252 21 K C -1.765 175.142 176.600 0.512 0.000 0.931 21 K CA -1.560 54.952 56.287 0.374 0.000 0.794 21 K CB 2.967 35.605 32.500 0.229 0.000 1.181 21 K HN 0.887 9.295 8.250 0.265 0.000 0.425 22 c N 1.158 120.095 118.600 0.563 0.000 2.441 22 c HA 0.781 nan 4.570 nan 0.000 0.318 22 c C -1.671 172.660 174.090 0.402 0.000 1.222 22 c CA -3.416 53.153 56.329 0.400 0.000 1.474 22 c CB 2.490 45.107 42.510 0.178 0.000 2.125 22 c HN 0.749 9.382 8.230 0.673 0.000 0.479 23 Q N 3.732 123.724 119.800 0.321 0.000 2.257 23 Q HA 0.623 nan 4.340 nan 0.000 0.255 23 Q C -1.553 174.546 176.000 0.166 0.000 0.920 23 Q CA -1.372 54.568 55.803 0.227 0.000 0.927 23 Q CB 2.778 31.602 28.738 0.143 0.000 1.229 23 Q HN 0.678 9.131 8.270 0.305 0.000 0.433 24 V N 6.758 126.725 119.914 0.088 0.000 2.383 24 V HA 0.171 nan 4.120 nan 0.000 0.275 24 V C -0.450 175.527 176.094 -0.195 0.000 1.036 24 V CA -0.361 61.805 62.300 -0.223 0.000 0.889 24 V CB -0.199 31.532 31.823 -0.153 0.000 0.985 24 V HN 0.459 8.754 8.190 0.175 0.000 0.459 25 L N 4.995 126.043 121.223 -0.292 0.000 2.741 25 L HA 0.247 nan 4.340 nan 0.000 0.237 25 L C -0.013 176.701 176.870 -0.261 0.000 1.178 25 L CA -0.789 53.930 54.840 -0.200 0.000 0.973 25 L CB 0.337 42.312 42.059 -0.140 0.000 1.255 25 L HN 0.509 8.366 8.230 -0.442 0.107 0.498 26 L N -0.393 120.609 121.223 -0.368 0.000 2.360 26 L HA -0.026 nan 4.340 nan 0.000 0.276 26 L C 0.664 177.394 176.870 -0.234 0.000 1.121 26 L CA -0.058 54.552 54.840 -0.383 0.000 0.845 26 L CB 0.375 42.135 42.059 -0.498 0.000 1.143 26 L HN -0.587 7.307 8.230 -0.406 0.092 0.452 27 S N 8.417 123.996 115.700 -0.202 0.000 2.381 27 S HA -0.301 nan 4.470 nan 0.000 0.230 27 S C -0.492 174.053 174.600 -0.092 0.000 1.052 27 S CA 1.972 60.097 58.200 -0.125 0.000 1.068 27 S CB 0.169 63.303 63.200 -0.109 0.000 0.918 27 S HN 0.848 9.016 8.310 -0.237 0.000 0.448 28 N N -1.786 116.857 118.700 -0.094 0.000 2.752 28 N HA 0.452 nan 4.740 nan 0.000 0.268 28 N C -2.923 172.556 175.510 -0.051 0.000 1.190 28 N CA -1.703 51.314 53.050 -0.055 0.000 0.897 28 N CB 0.433 38.901 38.487 -0.032 0.000 1.515 28 N HN -0.306 7.999 8.380 -0.124 0.000 0.567 29 P HA 0.390 nan 4.420 nan 0.000 0.296 29 P C -1.052 176.259 177.300 0.017 0.000 1.295 29 P CA -0.307 62.782 63.100 -0.018 0.000 0.754 29 P CB 0.753 32.449 31.700 -0.008 0.000 1.311 30 T N -2.360 112.218 114.554 0.039 0.000 3.507 30 T HA 0.271 nan 4.350 nan 0.000 0.280 30 T C -0.652 174.091 174.700 0.071 0.000 0.976 30 T CA 0.637 62.765 62.100 0.046 0.000 1.096 30 T CB 1.971 70.864 68.868 0.040 0.000 1.168 30 T HN 0.193 8.458 8.240 0.042 0.000 0.463 31 S N 1.644 117.397 115.700 0.088 0.000 2.758 31 S HA 0.230 nan 4.470 nan 0.000 0.292 31 S C 0.045 174.737 174.600 0.153 0.000 1.131 31 S CA -0.781 57.520 58.200 0.169 0.000 0.997 31 S CB 2.122 65.427 63.200 0.176 0.000 1.111 31 S HN -0.637 7.717 8.310 0.073 0.000 0.552 32 G N -0.832 108.083 108.800 0.193 0.000 2.574 32 G HA2 0.269 nan 3.960 nan 0.000 0.248 32 G HA3 0.269 nan 3.960 nan 0.000 0.248 32 G C -2.023 172.678 174.900 -0.332 0.000 1.422 32 G CA -1.265 43.786 45.100 -0.082 0.000 1.051 32 G HN -0.048 8.524 8.290 0.469 0.000 0.560 33 C N -0.502 118.262 119.300 -0.893 0.000 2.370 33 C HA 0.497 nan 4.460 nan 0.000 0.354 33 C C -0.790 173.975 174.990 -0.375 0.000 1.218 33 C CA -0.862 57.682 59.018 -0.790 0.000 2.154 33 C CB 0.973 27.911 27.740 -1.336 0.000 2.391 33 C HN -0.251 7.349 8.230 -1.049 0.000 0.540 34 S N 2.280 117.860 115.700 -0.201 0.000 2.501 34 S HA 0.591 nan 4.470 nan 0.000 0.301 34 S C -1.857 172.576 174.600 -0.278 0.000 1.096 34 S CA -0.656 57.536 58.200 -0.013 0.000 1.063 34 S CB 2.132 65.499 63.200 0.279 0.000 1.042 34 S HN 0.727 8.883 8.310 -0.256 0.000 0.494 35 W N 3.242 124.435 121.300 -0.178 0.000 2.433 35 W HA 0.493 nan 4.660 nan 0.000 0.315 35 W C -1.422 174.936 176.519 -0.268 0.000 1.087 35 W CA -0.538 56.705 57.345 -0.170 0.000 1.205 35 W CB 1.869 31.281 29.460 -0.079 0.000 1.288 35 W HN 0.805 8.976 8.180 -0.016 0.000 0.504 36 L N 1.061 122.226 121.223 -0.096 0.000 2.354 36 L HA 0.880 nan 4.340 nan 0.000 0.264 36 L C -2.103 174.621 176.870 -0.245 0.000 1.008 36 L CA -1.579 53.070 54.840 -0.318 0.000 0.819 36 L CB 3.835 45.437 42.059 -0.762 0.000 1.339 36 L HN 0.823 9.010 8.230 -0.070 0.000 0.420 37 F N 2.037 121.803 119.950 -0.307 0.000 2.540 37 F HA 0.717 nan 4.527 nan 0.000 0.317 37 F C -2.820 172.911 175.800 -0.116 0.000 1.104 37 F CA -2.012 55.764 58.000 -0.375 0.000 0.913 37 F CB 4.064 42.766 39.000 -0.496 0.000 1.170 37 F HN 0.369 8.658 8.300 -0.018 0.000 0.450 38 Q N 5.791 125.081 119.800 -0.850 0.000 2.274 38 Q HA 0.609 nan 4.340 nan 0.000 0.268 38 Q C -1.806 173.629 176.000 -0.942 0.000 1.015 38 Q CA -3.460 51.968 55.803 -0.626 0.000 0.775 38 Q CB 3.599 32.264 28.738 -0.122 0.000 1.256 38 Q HN 0.802 8.541 8.270 -0.885 0.000 0.442 39 P HA -0.016 nan 4.420 nan 0.000 0.230 39 P C -0.539 176.705 177.300 -0.094 0.000 1.158 39 P CA 2.137 64.970 63.100 -0.444 0.000 0.769 39 P CB 0.326 31.919 31.700 -0.178 0.000 0.807 40 R N -4.746 115.774 120.500 0.033 0.000 1.653 40 R HA -0.021 nan 4.340 nan 0.000 0.040 40 R C -0.257 176.100 176.300 0.095 0.000 0.794 40 R CA 0.762 56.998 56.100 0.226 0.000 3.152 40 R CB -0.096 30.293 30.300 0.147 0.000 0.856 40 R HN -0.418 7.744 8.270 -0.060 0.072 0.557 41 G N -0.536 108.266 108.800 0.004 0.000 2.284 41 G HA2 -0.312 nan 3.960 nan 0.000 0.261 41 G HA3 -0.312 nan 3.960 nan 0.000 0.261 41 G C 0.018 174.915 174.900 -0.005 0.000 0.997 41 G CA 0.045 45.136 45.100 -0.015 0.000 0.621 41 G HN 0.202 8.477 8.290 -0.025 0.000 0.534 42 A N 0.106 122.933 122.820 0.012 0.000 2.579 42 A HA 0.260 nan 4.320 nan 0.000 0.273 42 A C -1.224 176.365 177.584 0.008 0.000 1.363 42 A CA 0.140 52.182 52.037 0.009 0.000 0.953 42 A CB -1.274 17.738 19.000 0.020 0.000 1.034 42 A HN 0.232 8.300 8.150 0.031 0.101 0.536 43 A N -1.750 121.073 122.820 0.004 0.000 1.475 43 A HA -0.030 nan 4.320 nan 0.000 0.201 43 A C -0.758 176.828 177.584 0.003 0.000 1.981 43 A CA 0.427 52.467 52.037 0.006 0.000 1.612 43 A CB 0.700 19.707 19.000 0.012 0.000 1.532 43 A HN -0.392 7.678 8.150 -0.001 0.079 0.294 44 A N -0.138 122.680 122.820 -0.003 0.000 2.337 44 A HA 0.434 nan 4.320 nan 0.000 0.329 44 A C -1.045 176.535 177.584 -0.005 0.000 1.146 44 A CA -0.633 51.402 52.037 -0.004 0.000 0.800 44 A CB 1.548 20.542 19.000 -0.011 0.000 1.220 44 A HN -0.223 7.923 8.150 -0.007 0.000 0.472 45 S N 2.238 117.944 115.700 0.010 0.000 2.645 45 S HA 0.352 nan 4.470 nan 0.000 0.266 45 S C -1.890 172.740 174.600 0.050 0.000 1.258 45 S CA -2.472 55.744 58.200 0.027 0.000 0.990 45 S CB -0.715 62.503 63.200 0.030 0.000 0.967 45 S HN 0.070 8.389 8.310 0.015 0.000 0.556 46 P HA -0.130 nan 4.420 nan 0.000 0.267 46 P C -1.191 176.179 177.300 0.116 0.000 1.200 46 P CA 0.469 63.662 63.100 0.156 0.000 0.772 46 P CB 0.524 32.408 31.700 0.308 0.000 0.855 47 T N 4.330 118.946 114.554 0.104 0.000 2.824 47 T HA 0.255 nan 4.350 nan 0.000 0.280 47 T C -1.394 173.389 174.700 0.138 0.000 0.995 47 T CA -0.137 62.040 62.100 0.127 0.000 1.009 47 T CB 1.354 70.324 68.868 0.171 0.000 0.955 47 T HN 0.233 8.519 8.240 0.077 0.000 0.452 48 F N 6.490 126.444 119.950 0.005 0.000 2.396 48 F HA 0.498 nan 4.527 nan 0.000 0.343 48 F C -1.662 174.125 175.800 -0.023 0.000 1.104 48 F CA -0.235 57.764 58.000 -0.002 0.000 1.161 48 F CB 1.049 40.052 39.000 0.005 0.000 1.146 48 F HN 0.096 8.559 8.300 0.272 0.000 0.522 49 L N 4.369 125.238 121.223 -0.590 0.000 2.488 49 L HA 0.315 nan 4.340 nan 0.000 0.186 49 L C -1.459 174.962 176.870 -0.747 0.000 1.124 49 L CA 1.200 55.720 54.840 -0.534 0.000 0.838 49 L CB 1.316 43.197 42.059 -0.296 0.000 1.107 49 L HN 0.787 8.655 8.230 -0.603 0.000 0.494 50 L N -7.330 113.436 121.223 -0.761 0.000 2.434 50 L HA 0.507 nan 4.340 nan 0.000 0.260 50 L C -2.409 174.322 176.870 -0.232 0.000 0.983 50 L CA -1.238 53.353 54.840 -0.415 0.000 0.820 50 L CB 4.477 46.505 42.059 -0.052 0.000 1.361 50 L HN -0.810 7.024 8.230 -0.660 0.000 0.410 51 Y N 2.776 123.099 120.300 0.038 0.000 2.335 51 Y HA 0.685 nan 4.550 nan 0.000 0.338 51 Y C -2.442 173.552 175.900 0.157 0.000 0.977 51 Y CA -2.033 56.194 58.100 0.211 0.000 1.114 51 Y CB 2.597 41.299 38.460 0.403 0.000 1.182 51 Y HN 0.833 9.157 8.280 0.248 0.105 0.463 52 L N 8.112 128.947 121.223 -0.647 0.000 2.372 52 L HA 0.366 nan 4.340 nan 0.000 0.274 52 L C -1.524 175.111 176.870 -0.392 0.000 0.988 52 L CA -0.732 53.931 54.840 -0.294 0.000 0.833 52 L CB 2.426 44.566 42.059 0.135 0.000 1.236 52 L HN 0.901 8.623 8.230 -0.846 0.000 0.410 53 S N 3.872 119.427 115.700 -0.241 0.000 2.721 53 S HA 0.126 nan 4.470 nan 0.000 0.296 53 S C -0.294 174.347 174.600 0.069 0.000 1.093 53 S CA -0.853 57.331 58.200 -0.025 0.000 0.959 53 S CB 1.290 64.518 63.200 0.046 0.000 1.301 53 S HN 0.104 8.298 8.310 -0.193 0.000 0.550 54 Q N 1.059 120.900 119.800 0.069 0.000 2.472 54 Q HA -0.036 nan 4.340 nan 0.000 0.208 54 Q C 0.079 176.099 176.000 0.032 0.000 0.958 54 Q CA 1.798 57.625 55.803 0.039 0.000 0.932 54 Q CB -0.152 28.606 28.738 0.033 0.000 1.007 54 Q HN 0.345 8.662 8.270 0.078 0.000 0.508 55 N N -1.898 116.830 118.700 0.046 0.000 2.607 55 N HA 0.000 nan 4.740 nan 0.000 0.207 55 N C -0.982 174.557 175.510 0.049 0.000 1.040 55 N CA 0.850 53.928 53.050 0.046 0.000 0.947 55 N CB 0.380 38.901 38.487 0.057 0.000 1.293 55 N HN -0.184 8.153 8.380 0.056 0.077 0.446 56 K N 0.206 120.644 120.400 0.062 0.000 2.579 56 K HA 0.270 nan 4.320 nan 0.000 0.257 56 K C -2.743 173.909 176.600 0.086 0.000 0.950 56 K CA -1.244 55.082 56.287 0.065 0.000 0.862 56 K CB 0.395 32.933 32.500 0.063 0.000 1.317 56 K HN -0.371 7.922 8.250 0.073 0.000 0.436 57 P HA -0.133 nan 4.420 nan 0.000 0.262 57 P C -1.189 176.197 177.300 0.143 0.000 1.182 57 P CA -0.058 63.101 63.100 0.098 0.000 0.761 57 P CB 0.148 31.894 31.700 0.077 0.000 0.795 58 K N 4.800 125.336 120.400 0.226 0.000 2.263 58 K HA 0.285 nan 4.320 nan 0.000 0.272 58 K C -1.393 175.360 176.600 0.255 0.000 1.033 58 K CA -1.729 54.717 56.287 0.265 0.000 0.884 58 K CB 1.659 34.382 32.500 0.373 0.000 1.107 58 K HN 0.291 8.695 8.250 0.257 0.000 0.460 59 A N 3.191 126.113 122.820 0.170 0.000 2.279 59 A HA 0.580 nan 4.320 nan 0.000 0.303 59 A C -1.196 176.508 177.584 0.199 0.000 1.108 59 A CA -1.573 50.526 52.037 0.102 0.000 0.830 59 A CB 1.358 20.382 19.000 0.040 0.000 1.106 59 A HN 0.319 8.555 8.150 0.144 0.000 0.493 60 A N 0.474 123.392 122.820 0.164 0.000 2.462 60 A HA 0.015 nan 4.320 nan 0.000 0.243 60 A C 0.209 177.855 177.584 0.104 0.000 1.076 60 A CA -0.018 52.171 52.037 0.255 0.000 0.773 60 A CB 0.607 19.727 19.000 0.200 0.000 1.010 60 A HN 0.233 8.370 8.150 -0.021 0.000 0.493 61 E N 2.534 122.788 120.200 0.091 0.000 2.341 61 E HA -0.259 nan 4.350 nan 0.000 0.256 61 E C 0.915 177.530 176.600 0.025 0.000 1.125 61 E CA 1.157 57.586 56.400 0.048 0.000 0.939 61 E CB -1.756 27.965 29.700 0.035 0.000 0.991 61 E HN 0.425 8.849 8.360 0.108 0.000 0.458 62 G N 3.006 111.813 108.800 0.012 0.000 2.229 62 G HA2 -0.374 nan 3.960 nan 0.000 0.189 62 G HA3 -0.374 nan 3.960 nan 0.000 0.189 62 G C -0.867 174.017 174.900 -0.028 0.000 1.000 62 G CA -0.459 44.639 45.100 -0.003 0.000 0.663 62 G HN 0.179 8.479 8.290 0.017 0.000 0.493 63 L N 2.459 123.649 121.223 -0.055 0.000 2.453 63 L HA 0.000 nan 4.340 nan 0.000 0.272 63 L C -0.462 176.395 176.870 -0.021 0.000 1.182 63 L CA 0.590 55.355 54.840 -0.126 0.000 0.858 63 L CB 1.076 43.012 42.059 -0.205 0.000 1.120 63 L HN -0.424 7.786 8.230 -0.034 0.000 0.474 64 D N 4.700 125.127 120.400 0.046 0.000 2.346 64 D HA -0.076 nan 4.640 nan 0.000 0.267 64 D C 0.221 176.637 176.300 0.194 0.000 1.320 64 D CA 0.450 54.532 54.000 0.137 0.000 0.951 64 D CB 0.646 41.565 40.800 0.199 0.000 1.079 64 D HN 0.182 8.555 8.370 0.005 0.000 0.509 65 T N 2.553 117.169 114.554 0.103 0.000 3.129 65 T HA 0.087 nan 4.350 nan 0.000 0.251 65 T C 0.913 175.652 174.700 0.065 0.000 1.117 65 T CA 1.450 63.606 62.100 0.092 0.000 1.034 65 T CB -0.645 68.257 68.868 0.057 0.000 0.968 65 T HN 0.206 8.488 8.240 0.070 0.000 0.526 66 Q N 0.782 120.614 119.800 0.053 0.000 2.250 66 Q HA 0.019 nan 4.340 nan 0.000 0.200 66 Q C 1.810 177.800 176.000 -0.017 0.000 0.941 66 Q CA 2.479 58.291 55.803 0.014 0.000 0.872 66 Q CB -0.151 28.593 28.738 0.009 0.000 0.965 66 Q HN -0.324 8.090 8.270 0.069 -0.103 0.480 67 R N -1.263 119.230 120.500 -0.011 0.000 2.146 67 R HA 0.060 nan 4.340 nan 0.000 0.206 67 R C 0.580 176.700 176.300 -0.300 0.000 1.049 67 R CA 1.661 57.661 56.100 -0.167 0.000 1.029 67 R CB 1.747 31.904 30.300 -0.240 0.000 0.949 67 R HN -0.417 8.042 8.270 0.062 -0.152 0.471 68 F N 0.777 120.674 119.950 -0.089 0.000 2.405 68 F HA 0.212 nan 4.527 nan 0.000 0.355 68 F C -0.658 175.087 175.800 -0.091 0.000 1.121 68 F CA 0.063 57.996 58.000 -0.112 0.000 1.112 68 F CB 0.831 39.766 39.000 -0.109 0.000 1.126 68 F HN -0.129 8.346 8.300 0.292 0.000 0.481 69 S N 3.054 118.770 115.700 0.027 0.000 2.599 69 S HA 0.409 nan 4.470 nan 0.000 0.287 69 S C -1.628 172.967 174.600 -0.008 0.000 1.105 69 S CA -1.506 56.699 58.200 0.008 0.000 0.899 69 S CB 3.450 66.633 63.200 -0.028 0.000 1.100 69 S HN 0.874 9.153 8.310 -0.053 0.000 0.482 70 G N -2.282 106.529 108.800 0.020 0.000 2.659 70 G HA2 0.610 nan 3.960 nan 0.000 0.296 70 G HA3 0.610 nan 3.960 nan 0.000 0.296 70 G C -2.653 172.281 174.900 0.056 0.000 1.369 70 G CA -0.726 44.401 45.100 0.045 0.000 0.937 70 G HN 0.078 8.384 8.290 0.028 0.000 0.485 71 K N -1.828 118.617 120.400 0.076 0.000 2.533 71 K HA 0.483 nan 4.320 nan 0.000 0.272 71 K C -2.676 173.943 176.600 0.031 0.000 0.985 71 K CA -1.666 54.647 56.287 0.043 0.000 0.876 71 K CB 4.103 36.608 32.500 0.008 0.000 1.452 71 K HN 0.673 8.988 8.250 0.108 0.000 0.439 72 R N -0.388 120.070 120.500 -0.070 0.000 2.628 72 R HA 0.817 nan 4.340 nan 0.000 0.288 72 R C -1.173 174.994 176.300 -0.220 0.000 0.980 72 R CA -0.999 54.936 56.100 -0.276 0.000 0.891 72 R CB 2.402 32.362 30.300 -0.567 0.000 1.188 72 R HN 0.324 8.560 8.270 -0.057 0.000 0.450 73 L N 4.921 126.007 121.223 -0.229 0.000 2.401 73 L HA 0.339 nan 4.340 nan 0.000 0.263 73 L C 0.258 177.030 176.870 -0.165 0.000 1.004 73 L CA -0.791 53.966 54.840 -0.139 0.000 0.881 73 L CB 0.085 42.098 42.059 -0.076 0.000 1.219 73 L HN 0.839 8.893 8.230 -0.293 0.000 0.441 74 G N 5.220 113.925 108.800 -0.158 0.000 2.596 74 G HA2 -0.500 nan 3.960 nan 0.000 0.304 74 G HA3 -0.500 nan 3.960 nan 0.000 0.304 74 G C 0.217 174.978 174.900 -0.232 0.000 1.189 74 G CA 1.488 46.502 45.100 -0.142 0.000 0.986 74 G HN 0.577 8.785 8.290 -0.137 0.000 0.548 75 D N 3.732 124.031 120.400 -0.168 0.000 2.340 75 D HA 0.039 nan 4.640 nan 0.000 0.220 75 D C -0.362 175.856 176.300 -0.135 0.000 1.039 75 D CA 0.219 54.142 54.000 -0.129 0.000 0.866 75 D CB 0.084 40.874 40.800 -0.016 0.000 0.913 75 D HN 0.214 8.519 8.370 -0.107 0.000 0.523 76 T N 2.564 116.999 114.554 -0.199 0.000 2.795 76 T HA 0.588 nan 4.350 nan 0.000 0.282 76 T C -1.792 172.788 174.700 -0.201 0.000 0.980 76 T CA 0.763 62.852 62.100 -0.019 0.000 1.012 76 T CB 1.565 70.453 68.868 0.034 0.000 0.936 76 T HN -0.388 7.540 8.240 -0.237 0.170 0.457 77 F N 5.284 125.341 119.950 0.178 0.000 2.458 77 F HA 0.711 nan 4.527 nan 0.000 0.336 77 F C -1.408 174.627 175.800 0.392 0.000 1.114 77 F CA -1.350 56.794 58.000 0.240 0.000 0.987 77 F CB 2.344 41.477 39.000 0.222 0.000 1.130 77 F HN 0.756 9.406 8.300 0.583 0.000 0.458 78 V N 3.737 123.885 119.914 0.391 0.000 2.417 78 V HA 0.689 nan 4.120 nan 0.000 0.291 78 V C -1.883 174.232 176.094 0.036 0.000 1.024 78 V CA -1.279 61.141 62.300 0.198 0.000 0.861 78 V CB 1.431 33.297 31.823 0.072 0.000 0.985 78 V HN 1.049 9.425 8.190 0.310 0.000 0.436 79 L N 9.012 130.036 121.223 -0.333 0.000 2.317 79 L HA 0.779 nan 4.340 nan 0.000 0.281 79 L C -1.934 174.678 176.870 -0.431 0.000 1.024 79 L CA -1.259 53.224 54.840 -0.595 0.000 0.810 79 L CB 3.777 44.996 42.059 -1.399 0.000 1.240 79 L HN 0.591 8.603 8.230 -0.363 0.000 0.427 80 T N 8.488 122.860 114.554 -0.304 0.000 2.841 80 T HA 0.637 nan 4.350 nan 0.000 0.285 80 T C -2.402 172.081 174.700 -0.362 0.000 0.991 80 T CA -0.142 61.784 62.100 -0.290 0.000 0.966 80 T CB 1.586 70.346 68.868 -0.180 0.000 0.962 80 T HN 0.729 8.830 8.240 -0.231 0.000 0.438 81 L N 7.005 127.945 121.223 -0.472 0.000 2.342 81 L HA 0.681 nan 4.340 nan 0.000 0.276 81 L C -1.190 175.428 176.870 -0.420 0.000 0.997 81 L CA -2.606 51.854 54.840 -0.633 0.000 0.838 81 L CB 2.268 43.864 42.059 -0.771 0.000 1.224 81 L HN 0.707 8.663 8.230 -0.455 0.000 0.416 82 S N 6.592 122.089 115.700 -0.340 0.000 2.345 82 S HA -0.157 nan 4.470 nan 0.000 0.219 82 S C -0.037 174.480 174.600 -0.138 0.000 1.031 82 S CA 2.634 60.714 58.200 -0.200 0.000 0.984 82 S CB 0.127 63.233 63.200 -0.157 0.000 0.874 82 S HN 0.397 8.473 8.310 -0.391 0.000 0.451 83 D N 0.349 120.663 120.400 -0.143 0.000 2.454 83 D HA 0.240 nan 4.640 nan 0.000 0.225 83 D C -2.099 174.172 176.300 -0.048 0.000 1.081 83 D CA -1.946 52.010 54.000 -0.072 0.000 0.864 83 D CB -0.017 40.736 40.800 -0.077 0.000 1.040 83 D HN -0.379 7.869 8.370 -0.203 0.000 0.517 84 F N 7.201 127.054 119.950 -0.162 0.000 2.487 84 F HA 0.062 nan 4.527 nan 0.000 0.364 84 F C -1.552 174.189 175.800 -0.098 0.000 1.126 84 F CA -0.344 57.557 58.000 -0.166 0.000 1.135 84 F CB 0.651 39.572 39.000 -0.133 0.000 1.127 84 F HN -0.294 8.086 8.300 0.132 0.000 0.559 85 R N 7.740 127.970 120.500 -0.449 0.000 2.674 85 R HA 0.278 nan 4.340 nan 0.000 0.266 85 R C 0.502 176.394 176.300 -0.680 0.000 1.016 85 R CA -1.316 54.534 56.100 -0.418 0.000 1.062 85 R CB 2.108 32.271 30.300 -0.228 0.000 1.142 85 R HN -0.210 7.838 8.270 -0.369 0.000 0.517 86 R N 1.917 122.158 120.500 -0.431 0.000 2.148 86 R HA -0.272 nan 4.340 nan 0.000 0.227 86 R C 1.785 177.931 176.300 -0.256 0.000 1.103 86 R CA 3.403 59.283 56.100 -0.367 0.000 0.983 86 R CB -0.277 29.919 30.300 -0.174 0.000 0.874 86 R HN 0.590 8.691 8.270 -0.282 0.000 0.451 87 E N -1.827 118.261 120.200 -0.186 0.000 2.472 87 E HA -0.175 nan 4.350 nan 0.000 0.200 87 E C 0.172 176.713 176.600 -0.099 0.000 1.046 87 E CA 2.120 58.464 56.400 -0.092 0.000 0.871 87 E CB -1.254 28.409 29.700 -0.062 0.000 0.806 87 E HN 0.398 8.640 8.360 -0.185 0.008 0.533 88 N N -0.875 117.705 118.700 -0.200 0.000 2.280 88 N HA 0.113 nan 4.740 nan 0.000 0.192 88 N C -0.979 174.630 175.510 0.165 0.000 1.109 88 N CA -0.054 52.926 53.050 -0.117 0.000 0.855 88 N CB 0.613 39.078 38.487 -0.037 0.000 0.974 88 N HN -0.441 7.530 8.380 -0.353 0.197 0.482 89 E N 0.653 120.902 120.200 0.082 0.000 2.376 89 E HA -0.150 nan 4.350 nan 0.000 0.266 89 E C -0.165 176.417 176.600 -0.030 0.000 1.009 89 E CA 1.313 57.751 56.400 0.063 0.000 0.902 89 E CB 0.480 30.200 29.700 0.032 0.000 0.972 89 E HN -0.611 7.668 8.360 -0.060 0.045 0.439 90 G N 1.201 109.711 108.800 -0.483 0.000 2.360 90 G HA2 0.107 nan 3.960 nan 0.000 0.276 90 G HA3 0.107 nan 3.960 nan 0.000 0.276 90 G C -2.927 171.499 174.900 -0.790 0.000 1.256 90 G CA 0.585 45.294 45.100 -0.651 0.000 0.890 90 G HN 0.291 8.153 8.290 -0.713 0.000 0.486 91 Y N -1.063 118.985 120.300 -0.420 0.000 2.352 91 Y HA 0.676 nan 4.550 nan 0.000 0.339 91 Y C -1.142 174.697 175.900 -0.101 0.000 0.992 91 Y CA -1.553 56.356 58.100 -0.318 0.000 1.100 91 Y CB 2.840 40.667 38.460 -1.055 0.000 1.192 91 Y HN 0.186 8.078 8.280 -0.647 0.000 0.458 92 Y N 1.601 122.122 120.300 0.369 0.000 2.393 92 Y HA 0.630 nan 4.550 nan 0.000 0.341 92 Y C -1.496 174.851 175.900 0.743 0.000 0.988 92 Y CA -1.328 57.070 58.100 0.497 0.000 1.078 92 Y CB 2.364 41.013 38.460 0.314 0.000 1.203 92 Y HN 0.476 9.147 8.280 0.651 0.000 0.453 93 F N -1.171 119.134 119.950 0.592 0.000 2.685 93 F HA 0.752 nan 4.527 nan 0.000 0.315 93 F C -2.198 173.544 175.800 -0.098 0.000 1.126 93 F CA -2.644 55.548 58.000 0.320 0.000 0.950 93 F CB 2.455 41.681 39.000 0.377 0.000 1.360 93 F HN 0.650 9.130 8.300 0.300 0.000 0.469 94 c N -0.778 117.564 118.600 -0.430 0.000 2.399 94 c HA 0.793 nan 4.570 nan 0.000 0.348 94 c C -1.480 172.252 174.090 -0.596 0.000 1.183 94 c CA -1.020 54.807 56.329 -0.837 0.000 2.023 94 c CB 2.206 44.047 42.510 -1.115 0.000 2.361 94 c HN 0.680 8.755 8.230 -0.259 0.000 0.521 95 S N -0.037 115.368 115.700 -0.492 0.000 2.549 95 S HA 0.741 nan 4.470 nan 0.000 0.280 95 S C -2.622 171.890 174.600 -0.146 0.000 1.109 95 S CA -1.435 56.533 58.200 -0.387 0.000 0.905 95 S CB 2.475 65.447 63.200 -0.380 0.000 1.081 95 S HN 0.565 8.580 8.310 -0.492 0.000 0.477 96 A N 2.970 125.814 122.820 0.040 0.000 2.594 96 A HA 0.909 nan 4.320 nan 0.000 0.295 96 A C -2.846 174.802 177.584 0.108 0.000 1.071 96 A CA -0.528 51.568 52.037 0.098 0.000 0.685 96 A CB 3.350 22.447 19.000 0.161 0.000 1.285 96 A HN 0.064 8.212 8.150 -0.003 0.000 0.405 97 L N -0.679 120.594 121.223 0.083 0.000 2.334 97 L HA 0.730 nan 4.340 nan 0.000 0.272 97 L C -1.371 175.578 176.870 0.131 0.000 1.020 97 L CA -1.344 53.555 54.840 0.099 0.000 0.812 97 L CB 2.905 44.981 42.059 0.029 0.000 1.264 97 L HN 0.489 8.761 8.230 0.070 0.000 0.439 98 S N -0.366 115.450 115.700 0.193 0.000 2.750 98 S HA 0.201 nan 4.470 nan 0.000 0.276 98 S C -0.920 173.758 174.600 0.130 0.000 1.165 98 S CA -0.288 58.001 58.200 0.147 0.000 1.047 98 S CB 1.564 64.854 63.200 0.151 0.000 1.056 98 S HN 0.091 8.548 8.310 0.245 0.000 0.481 99 N N 8.507 127.247 118.700 0.066 0.000 2.669 99 N HA -0.428 nan 4.740 nan 0.000 0.266 99 N C -0.657 174.870 175.510 0.028 0.000 1.024 99 N CA 1.297 54.372 53.050 0.041 0.000 0.766 99 N CB -0.534 37.978 38.487 0.042 0.000 0.898 99 N HN 0.486 8.898 8.380 0.053 0.000 0.548 100 S N -7.651 108.056 115.700 0.011 0.000 2.981 100 S HA -0.468 nan 4.470 nan 0.000 0.274 100 S C -0.858 173.716 174.600 -0.044 0.000 1.297 100 S CA 1.339 59.530 58.200 -0.015 0.000 1.266 100 S CB -0.338 62.853 63.200 -0.015 0.000 1.542 100 S HN 0.125 8.444 8.310 0.014 0.000 0.674 101 I N 1.236 121.773 120.570 -0.056 0.000 2.359 101 I HA 0.029 nan 4.170 nan 0.000 0.294 101 I C -1.393 174.560 176.117 -0.275 0.000 0.987 101 I CA -0.546 60.634 61.300 -0.201 0.000 1.225 101 I CB 1.351 39.174 38.000 -0.295 0.000 1.366 101 I HN -0.371 7.665 8.210 0.006 0.178 0.466 102 M N 5.612 125.027 119.600 -0.307 0.000 2.180 102 M HA 0.216 nan 4.480 nan 0.000 0.358 102 M C -0.796 175.203 176.300 -0.502 0.000 1.233 102 M CA 0.186 55.283 55.300 -0.338 0.000 1.114 102 M CB 0.783 33.176 32.600 -0.345 0.000 1.594 102 M HN 0.231 8.371 8.290 -0.250 0.000 0.467 103 Y N 2.712 122.884 120.300 -0.212 0.000 2.457 103 Y HA 0.218 nan 4.550 nan 0.000 0.333 103 Y C -1.443 174.317 175.900 -0.233 0.000 1.119 103 Y CA -0.549 57.536 58.100 -0.025 0.000 1.143 103 Y CB 3.381 41.937 38.460 0.159 0.000 1.230 103 Y HN 0.432 8.685 8.280 -0.045 0.000 0.469 104 F N -1.455 118.600 119.950 0.176 0.000 2.588 104 F HA 0.402 nan 4.527 nan 0.000 0.314 104 F C -0.886 174.769 175.800 -0.242 0.000 1.069 104 F CA -1.452 56.505 58.000 -0.072 0.000 0.931 104 F CB 3.994 42.984 39.000 -0.017 0.000 1.260 104 F HN 0.123 8.678 8.300 0.424 0.000 0.465 105 S N 1.549 117.032 115.700 -0.361 0.000 2.686 105 S HA 0.222 nan 4.470 nan 0.000 0.270 105 S C -0.471 174.046 174.600 -0.139 0.000 1.194 105 S CA -0.722 57.272 58.200 -0.343 0.000 0.990 105 S CB 1.109 64.035 63.200 -0.457 0.000 1.029 105 S HN 0.211 8.341 8.310 -0.299 0.000 0.560 106 H N -0.514 118.584 119.070 0.047 0.000 2.671 106 H HA -0.099 nan 4.556 nan 0.000 0.372 106 H C -1.205 174.229 175.328 0.177 0.000 1.227 106 H CA 0.055 56.106 56.048 0.004 0.000 1.426 106 H CB 0.764 30.567 29.762 0.067 0.000 1.480 106 H HN 0.011 8.199 8.280 -0.154 0.000 0.611 107 F N -0.707 119.387 119.950 0.240 0.000 2.459 107 F HA -0.062 nan 4.527 nan 0.000 0.346 107 F C -0.370 175.667 175.800 0.395 0.000 1.128 107 F CA -0.359 57.823 58.000 0.304 0.000 1.268 107 F CB 0.602 39.730 39.000 0.213 0.000 1.161 107 F HN -0.099 8.271 8.300 0.117 0.000 0.583 108 V N 3.922 124.241 119.914 0.674 0.000 2.313 108 V HA 0.396 nan 4.120 nan 0.000 0.278 108 V C -1.794 174.590 176.094 0.483 0.000 1.017 108 V CA -3.395 59.214 62.300 0.516 0.000 0.823 108 V CB 1.387 33.472 31.823 0.437 0.000 1.010 108 V HN 0.647 9.284 8.190 0.744 0.000 0.443 109 P HA 0.258 nan 4.420 nan 0.000 0.276 109 P C -1.317 176.140 177.300 0.262 0.000 1.264 109 P CA -0.612 62.732 63.100 0.406 0.000 0.769 109 P CB -0.271 31.827 31.700 0.662 0.000 0.840 110 V N 7.152 126.977 119.914 -0.147 0.000 2.275 110 V HA 0.295 nan 4.120 nan 0.000 0.272 110 V C -1.792 174.107 176.094 -0.325 0.000 1.028 110 V CA -0.468 61.660 62.300 -0.286 0.000 0.810 110 V CB -0.069 31.374 31.823 -0.633 0.000 1.043 110 V HN 0.852 8.815 8.190 -0.378 0.000 0.453 111 F N 4.907 125.001 119.950 0.239 0.000 2.588 111 F HA 0.485 nan 4.527 nan 0.000 0.314 111 F C -1.306 174.698 175.800 0.339 0.000 1.069 111 F CA -2.082 56.083 58.000 0.275 0.000 0.931 111 F CB 4.204 43.294 39.000 0.150 0.000 1.260 111 F HN -0.231 8.370 8.300 0.503 0.000 0.465 112 L N 3.232 124.803 121.223 0.578 0.000 2.456 112 L HA 0.169 nan 4.340 nan 0.000 0.272 112 L C -1.325 175.720 176.870 0.290 0.000 1.189 112 L CA -2.708 52.396 54.840 0.440 0.000 0.846 112 L CB -0.322 41.943 42.059 0.342 0.000 1.111 112 L HN -0.091 8.836 8.230 0.592 -0.342 0.475 113 P HA 0.068 nan 4.420 nan 0.000 0.272 113 P C -1.543 175.816 177.300 0.099 0.000 1.223 113 P CA -0.443 62.731 63.100 0.123 0.000 0.784 113 P CB 1.056 32.804 31.700 0.081 0.000 0.923 114 A N 0.000 122.860 122.820 0.066 0.000 2.254 114 A HA 0.000 nan 4.320 nan 0.000 0.244 114 A CA 0.000 52.065 52.037 0.047 0.000 0.836 114 A CB 0.000 19.020 19.000 0.033 0.000 0.831 114 A HN 0.000 8.183 8.150 0.056 0.000 0.486