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 1pju_1_C DATA FIRST_RESID 2 DATA SEQUENCE AcTREcGNLG FGIcPRSEGS PLNPIcINcc SGYKGcNYYN SFGKFIcEGE DATA SEQUENCE SDPKRPNAcT FNcDPNIAYS RcPRSQGKSL IYPTGcTTcc TGYKGcYYFG DATA SEQUENCE KDGKFVcEGE SDEP 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.573 177.584 -0.019 0.000 1.274 2 A CA 0.000 52.030 52.037 -0.012 0.000 0.836 2 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 3 c N 2.476 121.062 118.600 -0.023 0.000 2.642 3 c HA 0.501 5.070 4.570 -0.001 0.000 0.420 3 c C 1.692 175.762 174.090 -0.033 0.000 1.349 3 c CA 0.633 56.941 56.329 -0.034 0.000 1.821 3 c CB -0.507 41.978 42.510 -0.042 0.000 2.637 3 c HN 0.996 nan 8.230 nan 0.000 0.605 4 T N 1.174 115.705 114.554 -0.038 0.000 2.802 4 T HA 0.155 4.504 4.350 -0.001 0.000 0.305 4 T C 1.025 175.702 174.700 -0.037 0.000 1.053 4 T CA -0.537 61.542 62.100 -0.035 0.000 1.058 4 T CB 0.452 69.298 68.868 -0.037 0.000 0.988 4 T HN 0.779 nan 8.240 nan 0.000 0.539 5 R N 0.543 121.024 120.500 -0.031 0.000 2.323 5 R HA 0.067 4.406 4.340 -0.001 0.000 0.198 5 R C 0.754 177.033 176.300 -0.035 0.000 0.988 5 R CA 0.061 56.143 56.100 -0.030 0.000 1.041 5 R CB -0.455 29.831 30.300 -0.023 0.000 0.926 5 R HN 0.829 nan 8.270 nan 0.000 0.476 6 E N 1.118 121.293 120.200 -0.041 0.000 2.390 6 E HA 0.051 4.400 4.350 -0.001 0.000 0.261 6 E C -0.744 175.825 176.600 -0.052 0.000 1.076 6 E CA -0.596 55.778 56.400 -0.043 0.000 0.905 6 E CB 1.150 30.823 29.700 -0.045 0.000 0.984 6 E HN 0.001 nan 8.360 nan 0.000 0.427 7 c N 3.779 122.352 118.600 -0.046 0.000 2.281 7 c HA 0.488 5.057 4.570 -0.001 0.000 0.336 7 c C 0.937 174.994 174.090 -0.055 0.000 1.217 7 c CA -0.028 56.272 56.329 -0.049 0.000 1.730 7 c CB -1.234 41.255 42.510 -0.035 0.000 2.338 7 c HN 0.743 nan 8.230 nan 0.000 0.521 8 G N 4.283 113.037 108.800 -0.076 0.000 2.667 8 G HA2 0.170 4.129 3.960 -0.001 0.000 0.250 8 G HA3 0.170 4.129 3.960 -0.001 0.000 0.250 8 G C 0.228 175.094 174.900 -0.056 0.000 1.212 8 G CA -0.109 44.941 45.100 -0.084 0.000 0.874 8 G HN 0.825 nan 8.290 nan 0.000 0.561 9 N N -0.688 117.984 118.700 -0.047 0.000 2.571 9 N HA 0.210 4.949 4.740 -0.001 0.000 0.298 9 N C -0.002 175.512 175.510 0.007 0.000 1.671 9 N CA -0.306 52.735 53.050 -0.014 0.000 0.900 9 N CB -0.047 38.435 38.487 -0.009 0.000 1.365 9 N HN 0.353 nan 8.380 nan 0.000 0.493 10 L N -1.241 119.983 121.223 0.002 0.000 2.456 10 L HA 0.455 4.794 4.340 -0.001 0.000 0.257 10 L C 1.722 178.673 176.870 0.136 0.000 1.162 10 L CA -0.261 54.605 54.840 0.043 0.000 0.808 10 L CB 0.851 42.918 42.059 0.013 0.000 1.136 10 L HN 0.230 nan 8.230 nan 0.000 0.466 11 G N 0.694 109.611 108.800 0.195 0.000 2.497 11 G HA2 0.162 4.121 3.960 -0.001 0.000 0.210 11 G HA3 0.162 4.121 3.960 -0.001 0.000 0.210 11 G C -0.119 175.111 174.900 0.550 0.000 1.177 11 G CA 0.355 45.660 45.100 0.343 0.000 0.822 11 G HN 0.576 nan 8.290 nan 0.000 0.550 12 F N -2.343 117.809 119.950 0.336 0.000 2.741 12 F HA 0.710 5.236 4.527 -0.001 0.000 0.311 12 F C -0.504 175.505 175.800 0.348 0.000 1.149 12 F CA -1.155 57.047 58.000 0.338 0.000 0.930 12 F CB 1.011 40.106 39.000 0.158 0.000 1.312 12 F HN 0.255 nan 8.300 nan 0.000 0.450 13 G N 1.212 110.224 108.800 0.353 0.000 2.524 13 G HA2 0.695 4.654 3.960 -0.001 0.000 0.310 13 G HA3 0.695 4.654 3.960 -0.001 0.000 0.310 13 G C -1.659 173.365 174.900 0.206 0.000 1.279 13 G CA -1.088 43.995 45.100 -0.028 0.000 0.974 13 G HN 1.088 nan 8.290 nan 0.000 0.484 14 I N -1.719 118.958 120.570 0.178 0.000 2.569 14 I HA 0.672 4.841 4.170 -0.001 0.000 0.296 14 I C -0.814 175.377 176.117 0.124 0.000 1.028 14 I CA -1.023 60.408 61.300 0.218 0.000 1.082 14 I CB 2.235 40.420 38.000 0.309 0.000 1.264 14 I HN 0.318 nan 8.210 nan 0.000 0.429 15 c N 4.940 123.597 118.600 0.095 0.000 2.534 15 c HA 0.453 5.023 4.570 -0.001 0.000 0.309 15 c C -2.512 171.590 174.090 0.021 0.000 1.072 15 c CA -1.427 54.943 56.329 0.068 0.000 1.441 15 c CB 0.191 42.756 42.510 0.091 0.000 1.906 15 c HN 0.547 nan 8.230 nan 0.000 0.429 16 P HA 0.200 nan 4.420 nan 0.000 0.262 16 P C -0.138 177.205 177.300 0.071 0.000 1.199 16 P CA 0.729 63.742 63.100 -0.145 0.000 0.763 16 P CB 0.296 31.796 31.700 -0.334 0.000 0.790 17 R N 0.595 121.186 120.500 0.153 0.000 2.710 17 R HA 0.626 4.965 4.340 -0.001 0.000 0.270 17 R C -1.016 175.360 176.300 0.127 0.000 1.021 17 R CA -0.908 55.262 56.100 0.118 0.000 0.889 17 R CB 0.501 30.858 30.300 0.094 0.000 1.243 17 R HN 0.083 nan 8.270 nan 0.000 0.464 18 S N 1.377 117.130 115.700 0.088 0.000 2.549 18 S HA 0.114 4.583 4.470 -0.001 0.000 0.286 18 S C -0.572 174.083 174.600 0.092 0.000 1.314 18 S CA -0.234 58.014 58.200 0.081 0.000 1.062 18 S CB 0.152 63.390 63.200 0.063 0.000 0.865 18 S HN 0.493 nan 8.310 nan 0.000 0.498 19 E N 0.846 121.113 120.200 0.112 0.000 2.356 19 E HA 0.615 4.965 4.350 -0.001 0.000 0.275 19 E C 0.160 176.843 176.600 0.138 0.000 0.904 19 E CA -0.983 55.486 56.400 0.114 0.000 0.757 19 E CB 2.018 31.797 29.700 0.130 0.000 1.232 19 E HN 0.851 nan 8.360 nan 0.000 0.442 20 G N 1.343 110.201 108.800 0.096 0.000 2.828 20 G HA2 -0.056 3.904 3.960 -0.001 0.000 0.463 20 G HA3 -0.056 3.904 3.960 -0.001 0.000 0.463 20 G C -0.347 174.573 174.900 0.033 0.000 1.394 20 G CA -0.217 44.942 45.100 0.098 0.000 0.862 20 G HN 1.112 nan 8.290 nan 0.000 0.540 21 S N -1.332 114.376 115.700 0.013 0.000 2.615 21 S HA 0.802 5.271 4.470 -0.001 0.000 0.269 21 S C -2.084 172.508 174.600 -0.014 0.000 1.161 21 S CA -0.305 57.803 58.200 -0.152 0.000 0.817 21 S CB 2.094 65.205 63.200 -0.148 0.000 1.131 21 S HN 0.501 nan 8.310 nan 0.000 0.467 22 P HA -0.054 nan 4.420 nan 0.000 0.216 22 P C 1.390 178.670 177.300 -0.033 0.000 1.150 22 P CA 0.722 63.822 63.100 0.000 0.000 0.843 22 P CB 0.105 31.777 31.700 -0.046 0.000 0.787 23 L N -1.628 119.569 121.223 -0.043 0.000 2.270 23 L HA 0.069 4.408 4.340 -0.001 0.000 0.210 23 L C 0.253 177.113 176.870 -0.016 0.000 1.104 23 L CA 1.555 56.376 54.840 -0.032 0.000 0.804 23 L CB -0.626 41.413 42.059 -0.034 0.000 0.937 23 L HN -0.004 nan 8.230 nan 0.000 0.450 24 N N 1.015 119.710 118.700 -0.008 0.000 2.904 24 N HA 0.261 5.001 4.740 -0.001 0.000 0.257 24 N C -2.476 173.054 175.510 0.034 0.000 1.363 24 N CA -1.081 51.974 53.050 0.009 0.000 0.856 24 N CB 1.376 39.865 38.487 0.004 0.000 1.166 24 N HN 0.113 nan 8.380 nan 0.000 0.499 25 P HA 0.238 nan 4.420 nan 0.000 0.274 25 P C 0.190 177.526 177.300 0.061 0.000 1.231 25 P CA -0.342 62.795 63.100 0.062 0.000 0.790 25 P CB 1.125 32.845 31.700 0.034 0.000 0.951 26 I N -0.733 119.885 120.570 0.081 0.000 2.822 26 I HA 0.531 4.700 4.170 -0.001 0.000 0.312 26 I C -0.277 175.865 176.117 0.041 0.000 1.011 26 I CA -1.170 60.173 61.300 0.072 0.000 1.105 26 I CB 1.645 39.707 38.000 0.105 0.000 1.291 26 I HN 0.259 nan 8.210 nan 0.000 0.474 27 c N 6.215 124.833 118.600 0.031 0.000 2.265 27 c HA 0.838 5.407 4.570 -0.001 0.000 0.332 27 c C -0.267 173.783 174.090 -0.067 0.000 1.248 27 c CA -0.041 56.276 56.329 -0.020 0.000 1.727 27 c CB -0.928 41.598 42.510 0.027 0.000 2.348 27 c HN 0.733 nan 8.230 nan 0.000 0.519 28 I N 5.232 125.715 120.570 -0.145 0.000 3.099 28 I HA 0.595 4.765 4.170 -0.001 0.000 0.308 28 I C -1.230 174.701 176.117 -0.311 0.000 1.405 28 I CA -0.146 61.018 61.300 -0.226 0.000 0.953 28 I CB 2.412 40.319 38.000 -0.155 0.000 1.324 28 I HN 0.883 nan 8.210 nan 0.000 0.495 29 N N 1.387 119.854 118.700 -0.389 0.000 2.697 29 N HA 0.377 5.116 4.740 -0.001 0.000 0.272 29 N C -0.107 175.120 175.510 -0.471 0.000 1.381 29 N CA -0.563 52.259 53.050 -0.381 0.000 0.797 29 N CB 1.049 39.344 38.487 -0.320 0.000 1.523 29 N HN 0.501 nan 8.380 nan 0.000 0.518 30 c N -1.267 117.097 118.600 -0.394 0.000 2.425 30 c HA -0.093 4.476 4.570 -0.001 0.000 0.277 30 c C 2.793 176.691 174.090 -0.319 0.000 1.280 30 c CA 0.545 56.640 56.329 -0.391 0.000 1.744 30 c CB -1.288 41.056 42.510 -0.276 0.000 1.989 30 c HN 0.882 nan 8.230 nan 0.000 0.491 31 c N 1.917 120.363 118.600 -0.256 0.000 2.429 31 c HA -0.092 4.478 4.570 -0.001 0.000 0.277 31 c C 3.055 177.016 174.090 -0.215 0.000 1.262 31 c CA 2.121 58.333 56.329 -0.195 0.000 1.733 31 c CB -1.249 41.166 42.510 -0.158 0.000 2.010 31 c HN 0.747 nan 8.230 nan 0.000 0.483 32 S N -0.182 115.350 115.700 -0.280 0.000 2.503 32 S HA 0.279 4.749 4.470 -0.001 0.000 0.215 32 S C 1.051 175.381 174.600 -0.449 0.000 1.003 32 S CA 0.531 58.553 58.200 -0.295 0.000 0.910 32 S CB -0.498 62.553 63.200 -0.247 0.000 0.790 32 S HN 0.791 nan 8.310 nan 0.000 0.514 33 G N 0.644 109.115 108.800 -0.548 0.000 2.594 33 G HA2 0.392 4.351 3.960 -0.001 0.000 0.243 33 G HA3 0.392 4.351 3.960 -0.001 0.000 0.243 33 G C -0.967 173.735 174.900 -0.329 0.000 1.229 33 G CA -0.414 44.284 45.100 -0.670 0.000 0.843 33 G HN 0.331 nan 8.290 nan 0.000 0.578 34 Y N -0.191 120.217 120.300 0.180 0.000 2.304 34 Y HA 0.279 4.829 4.550 -0.001 0.000 0.328 34 Y C 0.938 176.922 175.900 0.140 0.000 1.123 34 Y CA -0.857 57.318 58.100 0.124 0.000 1.218 34 Y CB 1.279 39.811 38.460 0.120 0.000 1.207 34 Y HN 0.622 nan 8.280 nan 0.000 0.495 35 K N 1.587 122.126 120.400 0.232 0.000 2.543 35 K HA 0.201 4.520 4.320 -0.001 0.000 0.279 35 K C 1.107 177.796 176.600 0.148 0.000 1.001 35 K CA 1.453 57.825 56.287 0.142 0.000 1.088 35 K CB -0.352 32.187 32.500 0.064 0.000 0.863 35 K HN 0.939 nan 8.250 nan 0.000 0.488 36 G N 2.317 111.195 108.800 0.130 0.000 2.176 36 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.253 36 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.253 36 G C -0.077 174.897 174.900 0.123 0.000 0.979 36 G CA 0.104 45.270 45.100 0.109 0.000 0.641 36 G HN 0.711 nan 8.290 nan 0.000 0.530 37 c N 1.403 120.104 118.600 0.168 0.000 2.417 37 c HA 0.705 5.274 4.570 -0.001 0.000 0.324 37 c C 0.095 174.205 174.090 0.034 0.000 1.240 37 c CA -1.275 55.105 56.329 0.086 0.000 1.632 37 c CB 1.151 43.721 42.510 0.100 0.000 2.241 37 c HN 0.462 nan 8.230 nan 0.000 0.499 38 N N 1.519 120.182 118.700 -0.063 0.000 2.456 38 N HA 0.435 5.175 4.740 -0.001 0.000 0.288 38 N C -1.324 173.900 175.510 -0.476 0.000 1.059 38 N CA -0.178 52.834 53.050 -0.063 0.000 0.946 38 N CB 0.969 39.510 38.487 0.090 0.000 1.150 38 N HN 0.590 nan 8.380 nan 0.000 0.479 39 Y N 1.423 121.497 120.300 -0.377 0.000 2.352 39 Y HA 0.415 4.965 4.550 -0.001 0.000 0.339 39 Y C -0.523 174.964 175.900 -0.688 0.000 0.992 39 Y CA -0.572 57.288 58.100 -0.400 0.000 1.100 39 Y CB 1.057 39.337 38.460 -0.300 0.000 1.192 39 Y HN 0.402 nan 8.280 nan 0.000 0.458 40 Y N 1.297 121.375 120.300 -0.369 0.000 2.576 40 Y HA 0.321 4.871 4.550 -0.001 0.000 0.346 40 Y C 0.040 175.693 175.900 -0.412 0.000 1.018 40 Y CA -1.558 56.274 58.100 -0.447 0.000 1.050 40 Y CB 1.343 39.356 38.460 -0.745 0.000 1.280 40 Y HN 0.677 nan 8.280 nan 0.000 0.474 41 N N -0.840 117.838 118.700 -0.037 0.000 2.366 41 N HA 0.043 4.782 4.740 -0.001 0.000 0.277 41 N C 0.835 176.347 175.510 0.003 0.000 1.275 41 N CA 0.130 53.167 53.050 -0.021 0.000 0.964 41 N CB 0.233 38.746 38.487 0.043 0.000 1.167 41 N HN 0.600 nan 8.380 nan 0.000 0.568 42 S N -1.783 113.854 115.700 -0.105 0.000 2.474 42 S HA -0.042 4.427 4.470 -0.001 0.000 0.235 42 S C 0.827 175.280 174.600 -0.244 0.000 0.997 42 S CA 0.520 58.601 58.200 -0.197 0.000 0.949 42 S CB -0.738 62.196 63.200 -0.442 0.000 0.766 42 S HN 0.489 nan 8.310 nan 0.000 0.517 43 F N 1.787 121.813 119.950 0.127 0.000 2.693 43 F HA 0.476 5.002 4.527 -0.001 0.000 0.303 43 F C 1.859 177.738 175.800 0.131 0.000 1.097 43 F CA -0.606 57.458 58.000 0.107 0.000 1.330 43 F CB -0.301 38.743 39.000 0.074 0.000 1.067 43 F HN 0.331 nan 8.300 nan 0.000 0.565 44 G N 0.891 109.872 108.800 0.301 0.000 2.148 44 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.254 44 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.254 44 G C 0.494 175.592 174.900 0.329 0.000 0.981 44 G CA 0.163 45.418 45.100 0.259 0.000 0.670 44 G HN 0.399 nan 8.290 nan 0.000 0.528 45 K N 0.156 120.751 120.400 0.325 0.000 2.322 45 K HA 0.427 4.747 4.320 -0.001 0.000 0.283 45 K C 0.209 177.009 176.600 0.333 0.000 1.042 45 K CA -0.922 55.550 56.287 0.308 0.000 0.958 45 K CB 0.122 32.753 32.500 0.217 0.000 0.984 45 K HN 0.095 nan 8.250 nan 0.000 0.473 46 F N 6.549 126.601 119.950 0.170 0.000 2.578 46 F HA -0.020 4.507 4.527 -0.001 0.000 0.381 46 F C 0.697 176.420 175.800 -0.127 0.000 1.069 46 F CA -0.117 57.812 58.000 -0.117 0.000 1.231 46 F CB 0.358 39.309 39.000 -0.082 0.000 1.086 46 F HN 0.508 nan 8.300 nan 0.000 0.564 47 I N 4.938 124.979 120.570 -0.882 0.000 2.900 47 I HA 0.077 4.247 4.170 -0.001 0.000 0.251 47 I C 0.655 176.164 176.117 -1.014 0.000 1.102 47 I CA 0.908 61.793 61.300 -0.692 0.000 1.457 47 I CB -0.982 36.784 38.000 -0.391 0.000 1.285 47 I HN 0.708 nan 8.210 nan 0.000 0.459 48 c N -0.757 117.099 118.600 -1.241 0.000 3.303 48 c HA 0.510 5.080 4.570 -0.001 0.000 0.340 48 c C -0.188 173.698 174.090 -0.340 0.000 1.274 48 c CA -1.115 54.735 56.329 -0.797 0.000 1.234 48 c CB 1.506 43.796 42.510 -0.366 0.000 1.532 48 c HN 0.441 nan 8.230 nan 0.000 0.483 49 E N 0.866 121.123 120.200 0.096 0.000 2.366 49 E HA 0.476 4.825 4.350 -0.001 0.000 0.266 49 E C 0.812 177.493 176.600 0.134 0.000 1.051 49 E CA 0.142 56.678 56.400 0.226 0.000 0.884 49 E CB 1.183 31.017 29.700 0.224 0.000 1.006 49 E HN 1.100 nan 8.360 nan 0.000 0.417 50 G N 2.686 111.640 108.800 0.256 0.000 2.432 50 G HA2 -0.079 3.880 3.960 -0.001 0.000 0.239 50 G HA3 -0.079 3.880 3.960 -0.001 0.000 0.239 50 G C 0.150 175.061 174.900 0.017 0.000 1.291 50 G CA -0.167 44.963 45.100 0.051 0.000 0.863 50 G HN 0.739 nan 8.290 nan 0.000 0.560 51 E N 0.275 120.433 120.200 -0.069 0.000 2.452 51 E HA 0.031 4.380 4.350 -0.001 0.000 0.197 51 E C 1.071 177.656 176.600 -0.024 0.000 1.022 51 E CA -0.015 56.359 56.400 -0.043 0.000 0.890 51 E CB 0.481 30.137 29.700 -0.074 0.000 0.918 51 E HN 0.334 nan 8.360 nan 0.000 0.496 52 S N 1.717 117.402 115.700 -0.025 0.000 2.439 52 S HA 0.008 4.478 4.470 -0.001 0.000 0.282 52 S C -0.465 174.185 174.600 0.083 0.000 1.170 52 S CA -0.680 57.525 58.200 0.009 0.000 1.054 52 S CB 0.474 63.649 63.200 -0.042 0.000 0.956 52 S HN 0.022 nan 8.310 nan 0.000 0.490 53 D N 6.128 126.542 120.400 0.023 0.000 2.358 53 D HA 0.175 4.814 4.640 -0.001 0.000 0.258 53 D C -1.331 174.926 176.300 -0.072 0.000 1.223 53 D CA -1.912 52.063 54.000 -0.042 0.000 0.886 53 D CB 1.499 42.259 40.800 -0.067 0.000 1.120 53 D HN 0.309 nan 8.370 nan 0.000 0.482 54 P HA -0.098 nan 4.420 nan 0.000 0.225 54 P C 0.680 177.750 177.300 -0.384 0.000 1.148 54 P CA 0.857 63.735 63.100 -0.370 0.000 0.779 54 P CB 0.303 31.424 31.700 -0.965 0.000 0.780 55 K N 0.188 120.248 120.400 -0.566 0.000 2.366 55 K HA -0.003 4.316 4.320 -0.001 0.000 0.198 55 K C 0.875 177.378 176.600 -0.163 0.000 1.044 55 K CA 0.580 56.403 56.287 -0.772 0.000 0.973 55 K CB 0.002 31.904 32.500 -0.997 0.000 0.767 55 K HN 0.300 nan 8.250 nan 0.000 0.475 56 R N -0.254 120.273 120.500 0.045 0.000 2.994 56 R HA 0.234 4.573 4.340 -0.001 0.000 0.219 56 R C -3.271 173.088 176.300 0.099 0.000 1.645 56 R CA -1.297 54.894 56.100 0.150 0.000 1.362 56 R CB -0.197 30.143 30.300 0.066 0.000 1.572 56 R HN -0.174 nan 8.270 nan 0.000 0.659 57 P HA -0.004 nan 4.420 nan 0.000 0.267 57 P C -0.478 176.836 177.300 0.023 0.000 1.200 57 P CA -0.095 63.045 63.100 0.067 0.000 0.772 57 P CB 0.549 32.287 31.700 0.063 0.000 0.855 58 N N 0.675 119.372 118.700 -0.005 0.000 2.441 58 N HA 0.220 4.959 4.740 -0.001 0.000 0.251 58 N C -0.115 175.376 175.510 -0.032 0.000 1.242 58 N CA 0.125 53.160 53.050 -0.025 0.000 0.898 58 N CB 0.041 38.497 38.487 -0.051 0.000 1.100 58 N HN 0.357 nan 8.380 nan 0.000 0.443 59 A N 1.343 124.146 122.820 -0.027 0.000 2.289 59 A HA 0.525 4.845 4.320 -0.001 0.000 0.298 59 A C -0.453 177.107 177.584 -0.039 0.000 1.208 59 A CA -0.378 51.641 52.037 -0.030 0.000 0.845 59 A CB 0.081 19.070 19.000 -0.019 0.000 1.125 59 A HN 0.666 nan 8.150 nan 0.000 0.517 60 c N 1.103 119.679 118.600 -0.040 0.000 2.609 60 c HA 0.574 5.143 4.570 -0.001 0.000 0.313 60 c C 0.681 174.756 174.090 -0.025 0.000 1.175 60 c CA -0.581 55.717 56.329 -0.053 0.000 1.434 60 c CB 1.254 43.708 42.510 -0.092 0.000 2.005 60 c HN 0.940 nan 8.230 nan 0.000 0.471 61 T N 2.207 116.743 114.554 -0.029 0.000 2.871 61 T HA 0.160 4.509 4.350 -0.001 0.000 0.296 61 T C -0.251 174.450 174.700 0.002 0.000 0.998 61 T CA 0.240 62.339 62.100 -0.002 0.000 1.162 61 T CB -0.202 68.655 68.868 -0.019 0.000 0.947 61 T HN 0.448 nan 8.240 nan 0.000 0.536 62 F N 7.317 127.227 119.950 -0.068 0.000 2.578 62 F HA 0.355 4.881 4.527 -0.001 0.000 0.381 62 F C 0.546 176.305 175.800 -0.068 0.000 1.069 62 F CA 0.076 58.032 58.000 -0.072 0.000 1.231 62 F CB 0.235 39.196 39.000 -0.065 0.000 1.086 62 F HN 0.840 nan 8.300 nan 0.000 0.564 63 N N 4.006 122.183 118.700 -0.871 0.000 3.046 63 N HA 0.242 4.981 4.740 -0.001 0.000 0.243 63 N C -2.161 172.899 175.510 -0.751 0.000 1.452 63 N CA -0.903 51.739 53.050 -0.680 0.000 0.882 63 N CB 0.824 39.139 38.487 -0.287 0.000 1.425 63 N HN 0.475 nan 8.380 nan 0.000 0.517 64 c N 0.663 118.999 118.600 -0.440 0.000 2.281 64 c HA 0.441 5.010 4.570 -0.001 0.000 0.325 64 c C 0.007 173.974 174.090 -0.205 0.000 1.282 64 c CA -0.727 55.425 56.329 -0.295 0.000 1.640 64 c CB -0.331 42.082 42.510 -0.162 0.000 2.288 64 c HN 0.640 nan 8.230 nan 0.000 0.507 65 D N 4.024 124.302 120.400 -0.203 0.000 2.339 65 D HA 0.154 4.793 4.640 -0.001 0.000 0.256 65 D C -1.424 174.808 176.300 -0.114 0.000 1.214 65 D CA -1.574 52.330 54.000 -0.160 0.000 0.877 65 D CB 1.300 41.989 40.800 -0.185 0.000 1.111 65 D HN 0.275 nan 8.370 nan 0.000 0.478 66 P HA -0.028 nan 4.420 nan 0.000 0.226 66 P C 0.603 177.872 177.300 -0.052 0.000 1.153 66 P CA 0.562 63.627 63.100 -0.059 0.000 0.777 66 P CB 0.322 31.995 31.700 -0.045 0.000 0.794 67 N N -0.658 118.004 118.700 -0.064 0.000 2.412 67 N HA 0.064 4.804 4.740 -0.001 0.000 0.184 67 N C 0.467 175.935 175.510 -0.070 0.000 1.101 67 N CA 0.420 53.436 53.050 -0.056 0.000 0.881 67 N CB 0.334 38.783 38.487 -0.063 0.000 0.969 67 N HN 0.266 nan 8.380 nan 0.000 0.459 68 I N 0.563 121.085 120.570 -0.079 0.000 2.321 68 I HA 0.233 4.402 4.170 -0.001 0.000 0.291 68 I C 0.851 176.952 176.117 -0.026 0.000 0.998 68 I CA -0.421 60.840 61.300 -0.066 0.000 1.227 68 I CB 1.898 39.860 38.000 -0.062 0.000 1.368 68 I HN -0.107 nan 8.210 nan 0.000 0.466 69 A N 6.472 129.283 122.820 -0.015 0.000 2.055 69 A HA 0.240 4.560 4.320 -0.001 0.000 0.205 69 A C 0.147 177.844 177.584 0.188 0.000 1.235 69 A CA 0.660 52.742 52.037 0.074 0.000 0.822 69 A CB 0.362 19.430 19.000 0.114 0.000 0.903 69 A HN 0.736 nan 8.150 nan 0.000 0.473 70 Y N -1.883 118.478 120.300 0.101 0.000 2.656 70 Y HA 0.645 5.194 4.550 -0.001 0.000 0.334 70 Y C -0.608 175.352 175.900 0.100 0.000 1.179 70 Y CA -1.091 57.065 58.100 0.093 0.000 1.050 70 Y CB 0.501 38.989 38.460 0.047 0.000 1.308 70 Y HN 0.136 nan 8.280 nan 0.000 0.456 71 S N 1.877 117.707 115.700 0.216 0.000 2.566 71 S HA 0.832 5.302 4.470 -0.001 0.000 0.298 71 S C -1.273 173.406 174.600 0.131 0.000 1.083 71 S CA -1.094 57.033 58.200 -0.122 0.000 0.978 71 S CB 2.131 65.052 63.200 -0.466 0.000 1.073 71 S HN 0.744 nan 8.310 nan 0.000 0.491 72 R N 0.940 121.484 120.500 0.074 0.000 2.451 72 R HA 0.575 4.915 4.340 -0.001 0.000 0.307 72 R C -1.143 175.196 176.300 0.065 0.000 0.965 72 R CA -0.354 55.831 56.100 0.142 0.000 0.865 72 R CB 0.802 31.260 30.300 0.264 0.000 1.174 72 R HN 0.813 nan 8.270 nan 0.000 0.455 73 c N 2.265 120.901 118.600 0.061 0.000 2.668 73 c HA 0.476 5.045 4.570 -0.001 0.000 0.355 73 c C -0.983 173.145 174.090 0.063 0.000 1.277 73 c CA -1.488 54.881 56.329 0.067 0.000 1.787 73 c CB 1.928 44.488 42.510 0.083 0.000 2.233 73 c HN 0.529 nan 8.230 nan 0.000 0.495 74 P HA -0.043 nan 4.420 nan 0.000 0.217 74 P C 0.002 177.327 177.300 0.041 0.000 1.150 74 P CA 1.151 64.281 63.100 0.049 0.000 0.832 74 P CB 0.122 31.852 31.700 0.051 0.000 0.787 75 R N -0.649 119.879 120.500 0.047 0.000 2.368 75 R HA 0.466 4.806 4.340 -0.001 0.000 0.302 75 R C 0.328 176.653 176.300 0.041 0.000 1.002 75 R CA -0.154 55.969 56.100 0.038 0.000 0.929 75 R CB 1.087 31.411 30.300 0.039 0.000 1.073 75 R HN -0.106 nan 8.270 nan 0.000 0.464 76 S N 0.824 116.541 115.700 0.028 0.000 2.733 76 S HA 0.118 4.588 4.470 -0.001 0.000 0.247 76 S C -0.128 174.484 174.600 0.020 0.000 1.043 76 S CA -0.129 58.087 58.200 0.027 0.000 1.066 76 S CB 0.635 63.844 63.200 0.016 0.000 1.045 76 S HN 0.479 nan 8.310 nan 0.000 0.586 77 Q N -0.067 119.740 119.800 0.013 0.000 2.484 77 Q HA 0.600 4.940 4.340 -0.001 0.000 0.285 77 Q C -0.061 175.937 176.000 -0.004 0.000 1.097 77 Q CA -0.199 55.605 55.803 0.001 0.000 0.802 77 Q CB 2.310 31.039 28.738 -0.015 0.000 1.444 77 Q HN 0.386 nan 8.270 nan 0.000 0.429 78 G N 1.708 110.500 108.800 -0.013 0.000 2.725 78 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.220 78 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.220 78 G C -0.858 174.059 174.900 0.028 0.000 1.357 78 G CA -0.666 44.420 45.100 -0.023 0.000 0.866 78 G HN 0.396 nan 8.290 nan 0.000 0.548 79 K N -0.124 120.308 120.400 0.053 0.000 2.126 79 K HA 0.529 4.849 4.320 -0.001 0.000 0.257 79 K C 1.799 178.470 176.600 0.119 0.000 1.007 79 K CA 0.346 56.692 56.287 0.098 0.000 0.928 79 K CB 1.101 33.680 32.500 0.131 0.000 1.013 79 K HN 0.842 nan 8.250 nan 0.000 0.473 80 S N 0.918 116.699 115.700 0.134 0.000 2.502 80 S HA 0.089 4.558 4.470 -0.001 0.000 0.215 80 S C 0.335 175.041 174.600 0.177 0.000 1.009 80 S CA -0.329 57.967 58.200 0.160 0.000 0.908 80 S CB 0.218 63.527 63.200 0.182 0.000 0.801 80 S HN 0.379 nan 8.310 nan 0.000 0.505 81 L N 1.403 122.730 121.223 0.173 0.000 2.438 81 L HA 0.644 4.984 4.340 -0.001 0.000 0.270 81 L C -1.763 175.239 176.870 0.220 0.000 0.972 81 L CA -0.890 54.067 54.840 0.195 0.000 0.831 81 L CB 1.812 43.970 42.059 0.164 0.000 1.273 81 L HN 0.213 nan 8.230 nan 0.000 0.405 82 I N 5.842 126.570 120.570 0.264 0.000 2.390 82 I HA 0.397 4.567 4.170 -0.001 0.000 0.283 82 I C -1.562 174.795 176.117 0.399 0.000 1.016 82 I CA -0.645 60.830 61.300 0.292 0.000 1.151 82 I CB 1.151 39.325 38.000 0.290 0.000 1.293 82 I HN 0.562 nan 8.210 nan 0.000 0.458 83 Y N 8.348 128.752 120.300 0.174 0.000 2.348 83 Y HA 0.518 5.068 4.550 -0.001 0.000 0.321 83 Y C -2.511 173.453 175.900 0.107 0.000 1.163 83 Y CA -1.700 56.495 58.100 0.159 0.000 1.070 83 Y CB 1.285 39.821 38.460 0.127 0.000 1.250 83 Y HN 0.447 nan 8.280 nan 0.000 0.425 84 P HA 0.396 nan 4.420 nan 0.000 0.297 84 P C 0.279 177.608 177.300 0.048 0.000 1.303 84 P CA -0.068 62.874 63.100 -0.264 0.000 0.753 84 P CB 0.770 32.265 31.700 -0.341 0.000 1.281 85 T N -5.883 108.727 114.554 0.093 0.000 3.023 85 T HA 0.380 4.730 4.350 -0.001 0.000 0.253 85 T C 1.151 175.862 174.700 0.018 0.000 1.038 85 T CA 0.501 62.662 62.100 0.101 0.000 0.962 85 T CB -0.623 68.331 68.868 0.143 0.000 1.018 85 T HN 0.775 nan 8.240 nan 0.000 0.521 86 G N 1.155 109.955 108.800 -0.000 0.000 2.622 86 G HA2 -0.351 3.609 3.960 -0.001 0.000 0.307 86 G HA3 -0.351 3.609 3.960 -0.001 0.000 0.307 86 G C 1.034 175.915 174.900 -0.031 0.000 1.226 86 G CA 0.290 45.379 45.100 -0.018 0.000 0.997 86 G HN 0.596 nan 8.290 nan 0.000 0.551 87 c N 2.149 120.723 118.600 -0.044 0.000 2.697 87 c HA 0.424 4.994 4.570 -0.001 0.000 0.267 87 c C 1.620 175.651 174.090 -0.099 0.000 1.278 87 c CA 0.516 56.809 56.329 -0.059 0.000 1.708 87 c CB -1.668 40.813 42.510 -0.048 0.000 1.860 87 c HN 0.750 nan 8.230 nan 0.000 0.589 88 T N 2.977 117.453 114.554 -0.131 0.000 2.891 88 T HA 0.172 4.521 4.350 -0.001 0.000 0.296 88 T C 0.657 175.195 174.700 -0.270 0.000 1.025 88 T CA 0.863 62.824 62.100 -0.233 0.000 1.149 88 T CB 0.288 68.974 68.868 -0.303 0.000 1.007 88 T HN 0.680 nan 8.240 nan 0.000 0.528 89 T N -0.590 113.787 114.554 -0.296 0.000 2.938 89 T HA 0.278 4.627 4.350 -0.001 0.000 0.285 89 T C 1.615 176.081 174.700 -0.390 0.000 1.028 89 T CA -0.983 60.947 62.100 -0.283 0.000 1.005 89 T CB 0.731 69.489 68.868 -0.184 0.000 1.157 89 T HN 0.602 nan 8.240 nan 0.000 0.550 90 c N -0.340 118.072 118.600 -0.313 0.000 2.401 90 c HA -0.102 4.468 4.570 -0.001 0.000 0.276 90 c C 3.087 177.051 174.090 -0.210 0.000 1.233 90 c CA 0.861 57.024 56.329 -0.277 0.000 1.753 90 c CB -1.555 40.841 42.510 -0.190 0.000 2.029 90 c HN 1.049 nan 8.230 nan 0.000 0.478 91 c N 1.429 119.928 118.600 -0.168 0.000 2.462 91 c HA -0.094 4.475 4.570 -0.001 0.000 0.278 91 c C 3.101 177.119 174.090 -0.120 0.000 1.253 91 c CA 2.112 58.371 56.329 -0.115 0.000 1.713 91 c CB -1.393 41.064 42.510 -0.088 0.000 2.049 91 c HN 0.763 nan 8.230 nan 0.000 0.477 92 T N -1.182 113.274 114.554 -0.163 0.000 3.085 92 T HA 0.218 4.567 4.350 -0.001 0.000 0.263 92 T C 0.999 175.543 174.700 -0.260 0.000 1.127 92 T CA 0.733 62.738 62.100 -0.157 0.000 1.103 92 T CB -0.574 68.208 68.868 -0.144 0.000 0.921 92 T HN 0.642 nan 8.240 nan 0.000 0.510 93 G N 0.420 108.992 108.800 -0.381 0.000 2.664 93 G HA2 0.402 4.362 3.960 -0.001 0.000 0.242 93 G HA3 0.402 4.362 3.960 -0.001 0.000 0.242 93 G C -0.931 173.904 174.900 -0.108 0.000 1.225 93 G CA -0.646 44.158 45.100 -0.492 0.000 0.849 93 G HN 0.363 nan 8.290 nan 0.000 0.581 94 Y N -0.043 120.417 120.300 0.267 0.000 2.310 94 Y HA 0.314 4.863 4.550 -0.001 0.000 0.326 94 Y C 1.164 177.118 175.900 0.091 0.000 1.151 94 Y CA -0.892 57.294 58.100 0.144 0.000 1.195 94 Y CB 0.919 39.452 38.460 0.122 0.000 1.210 94 Y HN 0.335 nan 8.280 nan 0.000 0.483 95 K N 1.080 121.597 120.400 0.196 0.000 2.489 95 K HA 0.216 4.535 4.320 -0.001 0.000 0.278 95 K C 0.992 177.603 176.600 0.018 0.000 1.000 95 K CA 1.009 57.333 56.287 0.062 0.000 1.012 95 K CB 0.022 32.548 32.500 0.043 0.000 0.903 95 K HN 1.030 nan 8.250 nan 0.000 0.485 96 G N 1.654 110.393 108.800 -0.103 0.000 2.162 96 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.260 96 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.260 96 G C 0.021 174.834 174.900 -0.145 0.000 0.976 96 G CA 0.041 45.067 45.100 -0.123 0.000 0.655 96 G HN 0.606 nan 8.290 nan 0.000 0.533 97 c N -0.007 118.480 118.600 -0.188 0.000 2.376 97 c HA 0.739 5.308 4.570 -0.001 0.000 0.335 97 c C -0.203 173.603 174.090 -0.473 0.000 1.229 97 c CA -1.047 55.142 56.329 -0.235 0.000 1.867 97 c CB 0.468 42.865 42.510 -0.188 0.000 2.319 97 c HN 0.322 nan 8.230 nan 0.000 0.515 98 Y N 1.399 121.560 120.300 -0.233 0.000 2.334 98 Y HA 0.485 5.034 4.550 -0.001 0.000 0.336 98 Y C -0.225 175.589 175.900 -0.144 0.000 0.960 98 Y CA -0.377 57.710 58.100 -0.022 0.000 1.164 98 Y CB 0.523 39.036 38.460 0.087 0.000 1.155 98 Y HN 0.599 nan 8.280 nan 0.000 0.478 99 Y N 3.087 123.446 120.300 0.099 0.000 2.330 99 Y HA 0.523 5.072 4.550 -0.001 0.000 0.336 99 Y C -0.725 174.977 175.900 -0.330 0.000 1.036 99 Y CA -0.984 57.072 58.100 -0.073 0.000 1.125 99 Y CB 0.906 39.287 38.460 -0.132 0.000 1.194 99 Y HN 0.415 nan 8.280 nan 0.000 0.469 100 F N 0.742 120.512 119.950 -0.300 0.000 2.492 100 F HA 0.662 5.189 4.527 -0.001 0.000 0.327 100 F C 0.881 176.564 175.800 -0.195 0.000 1.079 100 F CA -1.101 56.694 58.000 -0.341 0.000 0.967 100 F CB 1.371 39.917 39.000 -0.756 0.000 1.169 100 F HN 0.567 nan 8.300 nan 0.000 0.472 101 G N 1.215 110.051 108.800 0.060 0.000 2.621 101 G HA2 0.183 4.143 3.960 -0.001 0.000 0.271 101 G HA3 0.183 4.143 3.960 -0.001 0.000 0.271 101 G C 0.576 175.560 174.900 0.140 0.000 1.236 101 G CA -0.417 44.721 45.100 0.064 0.000 0.958 101 G HN 0.669 nan 8.290 nan 0.000 0.512 102 K N -0.393 120.078 120.400 0.118 0.000 2.209 102 K HA -0.080 4.240 4.320 -0.001 0.000 0.204 102 K C 1.933 178.614 176.600 0.135 0.000 1.048 102 K CA 1.627 57.997 56.287 0.139 0.000 0.940 102 K CB 0.107 32.666 32.500 0.100 0.000 0.729 102 K HN 0.604 nan 8.250 nan 0.000 0.451 103 D N -1.738 118.732 120.400 0.116 0.000 2.355 103 D HA 0.031 4.671 4.640 -0.001 0.000 0.218 103 D C 1.027 177.417 176.300 0.150 0.000 1.004 103 D CA 0.790 54.856 54.000 0.110 0.000 0.880 103 D CB -0.004 40.845 40.800 0.082 0.000 0.911 103 D HN 0.186 nan 8.370 nan 0.000 0.528 104 G N -0.231 108.697 108.800 0.214 0.000 2.157 104 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.248 104 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.248 104 G C 0.223 175.357 174.900 0.391 0.000 0.979 104 G CA 0.278 45.561 45.100 0.305 0.000 0.650 104 G HN 0.603 nan 8.290 nan 0.000 0.529 105 K N 0.100 120.681 120.400 0.301 0.000 2.118 105 K HA 0.669 4.989 4.320 -0.001 0.000 0.267 105 K C 0.127 176.845 176.600 0.196 0.000 0.991 105 K CA -1.483 54.979 56.287 0.292 0.000 0.916 105 K CB 0.238 32.828 32.500 0.149 0.000 1.041 105 K HN 0.222 nan 8.250 nan 0.000 0.455 106 F N 4.310 124.174 119.950 -0.143 0.000 2.578 106 F HA 0.107 4.633 4.527 -0.001 0.000 0.376 106 F C 0.438 176.035 175.800 -0.338 0.000 1.085 106 F CA 0.180 57.752 58.000 -0.713 0.000 1.260 106 F CB 0.425 39.045 39.000 -0.633 0.000 1.095 106 F HN 0.296 nan 8.300 nan 0.000 0.573 107 V N 4.218 123.435 119.914 -1.162 0.000 2.743 107 V HA 0.109 4.229 4.120 -0.001 0.000 0.237 107 V C 0.291 175.655 176.094 -1.216 0.000 1.113 107 V CA 1.049 62.827 62.300 -0.869 0.000 1.141 107 V CB 0.246 31.811 31.823 -0.429 0.000 0.873 107 V HN 1.028 nan 8.190 nan 0.000 0.486 108 c N -1.452 116.362 118.600 -1.311 0.000 3.289 108 c HA 0.550 5.119 4.570 -0.001 0.000 0.354 108 c C -0.663 173.381 174.090 -0.077 0.000 1.201 108 c CA -1.226 54.740 56.329 -0.605 0.000 1.199 108 c CB 0.910 43.246 42.510 -0.290 0.000 1.511 108 c HN 0.445 nan 8.230 nan 0.000 0.506 109 E N 0.771 121.042 120.200 0.119 0.000 2.366 109 E HA 0.485 4.834 4.350 -0.001 0.000 0.266 109 E C 0.818 177.447 176.600 0.048 0.000 1.051 109 E CA 0.227 56.618 56.400 -0.016 0.000 0.884 109 E CB 1.347 30.938 29.700 -0.181 0.000 1.006 109 E HN 1.010 nan 8.360 nan 0.000 0.417 110 G N 2.024 110.913 108.800 0.147 0.000 2.569 110 G HA2 0.006 3.965 3.960 -0.001 0.000 0.249 110 G HA3 0.006 3.965 3.960 -0.001 0.000 0.249 110 G C 0.067 174.993 174.900 0.043 0.000 1.216 110 G CA -0.170 45.017 45.100 0.144 0.000 0.845 110 G HN 0.690 nan 8.290 nan 0.000 0.568 111 E N -0.535 119.672 120.200 0.011 0.000 2.539 111 E HA 0.128 4.478 4.350 -0.001 0.000 0.215 111 E C 0.486 177.106 176.600 0.033 0.000 0.965 111 E CA -0.057 56.348 56.400 0.008 0.000 1.019 111 E CB 0.866 30.553 29.700 -0.021 0.000 1.059 111 E HN 0.319 nan 8.360 nan 0.000 0.496 112 S N 0.933 116.675 115.700 0.071 0.000 2.690 112 S HA 0.238 4.708 4.470 -0.001 0.000 0.291 112 S C -0.402 174.297 174.600 0.164 0.000 1.138 112 S CA -0.863 57.401 58.200 0.107 0.000 1.013 112 S CB 1.089 64.361 63.200 0.119 0.000 1.053 112 S HN 0.051 nan 8.310 nan 0.000 0.539 113 D N 1.962 122.432 120.400 0.117 0.000 2.302 113 D HA 0.151 4.790 4.640 -0.001 0.000 0.248 113 D C 0.036 176.355 176.300 0.032 0.000 1.094 113 D CA -0.107 53.933 54.000 0.067 0.000 0.897 113 D CB 0.604 41.418 40.800 0.023 0.000 1.200 113 D HN 0.470 nan 8.370 nan 0.000 0.429 114 E N 1.629 121.733 120.200 -0.161 0.000 2.398 114 E HA 0.173 4.522 4.350 -0.001 0.000 0.263 114 E C -1.726 174.720 176.600 -0.257 0.000 1.046 114 E CA -0.994 55.093 56.400 -0.522 0.000 0.908 114 E CB 0.284 29.664 29.700 -0.533 0.000 0.963 114 E HN 0.247 nan 8.360 nan 0.000 0.431 115 P HA 0.000 nan 4.420 nan 0.000 0.216 115 P CA 0.000 63.038 63.100 -0.103 0.000 0.800 115 P CB 0.000 31.677 31.700 -0.038 0.000 0.726