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 7wga_1_A DATA FIRST_RESID 2 DATA SEQUENCE RcGEQGSNME cPNNLccSQY GYcGMGGDYc GKGcQNGAcW TSKRcGSQAG DATA SEQUENCE GATcTNNQcc SQYGYcGFGA EYcGAGcQGG PcRADIKcGS QAGGKLcPNN DATA SEQUENCE LccSQWGFcG LGSEFcGGGc QSGAcSTDKP cGKDAGGRVc TNNYccSKWG DATA SEQUENCE ScGIGPGYcG AGcQSGGcDG 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 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.264 176.300 -0.060 0.000 0.893 2 R CA 0.000 56.050 56.100 -0.084 0.000 0.921 2 R CB 0.000 30.226 30.300 -0.123 0.000 0.687 3 c N -0.878 117.674 118.600 -0.080 0.000 2.595 3 c HA 0.976 5.603 4.570 0.094 0.000 0.338 3 c C 1.159 175.214 174.090 -0.058 0.000 1.219 3 c CA 0.578 56.879 56.329 -0.046 0.000 1.811 3 c CB 1.040 43.539 42.510 -0.018 0.000 2.313 3 c HN 1.272 nan 8.230 nan 0.000 0.499 4 G N 1.817 110.593 108.800 -0.041 0.000 2.552 4 G HA2 -0.293 3.724 3.960 0.094 0.000 0.265 4 G HA3 -0.293 3.724 3.960 0.094 0.000 0.265 4 G C 0.607 175.481 174.900 -0.044 0.000 1.234 4 G CA 1.424 46.498 45.100 -0.043 0.000 0.944 4 G HN 1.650 nan 8.290 nan 0.000 0.568 5 E N -0.112 120.060 120.200 -0.046 0.000 2.097 5 E HA -0.192 4.215 4.350 0.094 0.000 0.196 5 E C 2.114 178.690 176.600 -0.040 0.000 1.000 5 E CA 2.355 58.732 56.400 -0.038 0.000 0.804 5 E CB -0.326 29.354 29.700 -0.034 0.000 0.740 5 E HN 0.614 nan 8.360 nan 0.000 0.454 6 Q N -0.184 119.582 119.800 -0.057 0.000 2.466 6 Q HA 0.206 4.602 4.340 0.094 0.000 0.210 6 Q C 1.057 177.019 176.000 -0.064 0.000 0.961 6 Q CA 0.912 56.677 55.803 -0.064 0.000 0.953 6 Q CB 0.793 29.471 28.738 -0.101 0.000 1.011 6 Q HN 0.411 nan 8.270 nan 0.000 0.516 7 G N -1.474 107.294 108.800 -0.054 0.000 3.979 7 G HA2 0.201 4.218 3.960 0.094 0.000 0.287 7 G HA3 0.201 4.218 3.960 0.094 0.000 0.287 7 G C -0.107 174.777 174.900 -0.026 0.000 1.011 7 G CA -0.198 44.877 45.100 -0.042 0.000 0.818 7 G HN 0.034 nan 8.290 nan 0.000 0.470 8 S N -0.056 115.629 115.700 -0.024 0.000 3.586 8 S HA -0.226 4.300 4.470 0.094 0.000 0.309 8 S C 0.934 175.525 174.600 -0.015 0.000 1.195 8 S CA 0.954 59.145 58.200 -0.016 0.000 0.895 8 S CB -1.948 61.245 63.200 -0.011 0.000 0.983 8 S HN 0.935 nan 8.310 nan 0.000 0.563 9 N N -2.188 116.500 118.700 -0.019 0.000 2.829 9 N HA -0.199 4.598 4.740 0.094 0.000 0.250 9 N C 0.057 175.559 175.510 -0.014 0.000 1.090 9 N CA 0.881 53.921 53.050 -0.017 0.000 0.781 9 N CB -0.714 37.765 38.487 -0.014 0.000 1.124 9 N HN 0.451 nan 8.380 nan 0.000 0.559 10 M N 1.273 120.864 119.600 -0.014 0.000 2.198 10 M HA 0.118 4.654 4.480 0.094 0.000 0.292 10 M C 0.461 176.756 176.300 -0.008 0.000 1.150 10 M CA 1.207 56.502 55.300 -0.009 0.000 1.168 10 M CB 0.367 32.962 32.600 -0.009 0.000 1.388 10 M HN 0.028 nan 8.290 nan 0.000 0.447 11 E N -0.223 119.976 120.200 -0.002 0.000 2.288 11 E HA 0.378 4.784 4.350 0.094 0.000 0.268 11 E C -1.281 175.322 176.600 0.005 0.000 0.885 11 E CA -0.929 55.472 56.400 0.001 0.000 0.767 11 E CB 1.479 31.182 29.700 0.006 0.000 1.220 11 E HN 0.621 nan 8.360 nan 0.000 0.427 12 c N 3.135 121.739 118.600 0.006 0.000 2.657 12 c HA 0.290 4.917 4.570 0.094 0.000 0.404 12 c C -1.546 172.548 174.090 0.007 0.000 1.291 12 c CA -1.079 55.252 56.329 0.004 0.000 2.218 12 c CB -0.834 41.674 42.510 -0.004 0.000 2.687 12 c HN 0.573 nan 8.230 nan 0.000 0.634 13 P HA 0.136 nan 4.420 nan 0.000 0.274 13 P C -0.406 176.898 177.300 0.007 0.000 1.246 13 P CA 0.001 63.104 63.100 0.006 0.000 0.795 13 P CB 0.155 31.856 31.700 0.001 0.000 1.006 14 N N 0.743 119.449 118.700 0.011 0.000 2.710 14 N HA -0.245 4.552 4.740 0.094 0.000 0.249 14 N C -0.162 175.364 175.510 0.028 0.000 1.059 14 N CA 0.419 53.477 53.050 0.013 0.000 0.720 14 N CB -1.478 37.011 38.487 0.003 0.000 0.983 14 N HN 0.480 nan 8.380 nan 0.000 0.544 15 N N -2.286 116.441 118.700 0.045 0.000 2.753 15 N HA -0.192 4.605 4.740 0.094 0.000 0.251 15 N C -0.485 175.050 175.510 0.041 0.000 1.097 15 N CA 0.792 53.881 53.050 0.064 0.000 0.786 15 N CB -0.653 37.894 38.487 0.100 0.000 1.137 15 N HN 0.307 nan 8.380 nan 0.000 0.566 16 L N 0.982 122.213 121.223 0.013 0.000 2.485 16 L HA 0.015 4.411 4.340 0.094 0.000 0.275 16 L C 0.806 177.672 176.870 -0.007 0.000 1.207 16 L CA 0.126 54.956 54.840 -0.017 0.000 0.855 16 L CB 0.336 42.363 42.059 -0.053 0.000 1.114 16 L HN 0.210 nan 8.230 nan 0.000 0.485 17 c N 2.537 121.131 118.600 -0.010 0.000 2.536 17 c HA 0.200 4.827 4.570 0.094 0.000 0.396 17 c C 0.628 174.753 174.090 0.058 0.000 1.279 17 c CA -1.172 55.168 56.329 0.018 0.000 2.148 17 c CB 0.120 42.638 42.510 0.012 0.000 2.584 17 c HN 0.849 nan 8.230 nan 0.000 0.579 18 c N 5.313 123.940 118.600 0.045 0.000 2.225 18 c HA 0.469 5.095 4.570 0.094 0.000 0.328 18 c C 1.151 175.277 174.090 0.061 0.000 1.187 18 c CA -0.280 56.090 56.329 0.067 0.000 1.665 18 c CB -1.698 40.818 42.510 0.009 0.000 2.253 18 c HN 1.108 nan 8.230 nan 0.000 0.497 19 S N 4.412 120.205 115.700 0.155 0.000 2.589 19 S HA -0.042 4.485 4.470 0.094 0.000 0.256 19 S C 1.207 175.714 174.600 -0.154 0.000 1.383 19 S CA 0.516 58.695 58.200 -0.035 0.000 0.983 19 S CB 0.443 63.590 63.200 -0.088 0.000 0.908 19 S HN 0.898 nan 8.310 nan 0.000 0.572 20 Q N -0.202 119.383 119.800 -0.358 0.000 2.500 20 Q HA -0.081 4.315 4.340 0.094 0.000 0.213 20 Q C 0.775 176.495 176.000 -0.468 0.000 0.974 20 Q CA 1.396 56.934 55.803 -0.442 0.000 0.918 20 Q CB -0.705 27.713 28.738 -0.534 0.000 0.980 20 Q HN 0.919 nan 8.270 nan 0.000 0.505 21 Y N -0.159 120.120 120.300 -0.034 0.000 2.457 21 Y HA 0.338 4.945 4.550 0.095 0.000 0.263 21 Y C 1.395 177.130 175.900 -0.275 0.000 1.164 21 Y CA -0.174 57.898 58.100 -0.045 0.000 1.274 21 Y CB 1.091 39.650 38.460 0.163 0.000 1.097 21 Y HN 0.302 nan 8.280 nan 0.000 0.523 22 G N -0.549 108.157 108.800 -0.156 0.000 2.141 22 G HA2 -0.279 3.737 3.960 0.094 0.000 0.231 22 G HA3 -0.279 3.737 3.960 0.094 0.000 0.231 22 G C -0.509 174.141 174.900 -0.418 0.000 0.984 22 G CA -0.440 44.482 45.100 -0.298 0.000 0.660 22 G HN 0.297 nan 8.290 nan 0.000 0.525 23 Y N -0.467 119.930 120.300 0.162 0.000 2.457 23 Y HA 0.652 5.258 4.550 0.094 0.000 0.333 23 Y C 1.023 177.066 175.900 0.238 0.000 1.119 23 Y CA -1.318 56.904 58.100 0.204 0.000 1.143 23 Y CB 1.272 39.899 38.460 0.280 0.000 1.230 23 Y HN 0.190 nan 8.280 nan 0.000 0.469 24 c N 2.109 120.853 118.600 0.239 0.000 2.369 24 c HA 0.867 5.493 4.570 0.094 0.000 0.358 24 c C 0.854 174.711 174.090 -0.389 0.000 1.274 24 c CA -0.113 56.218 56.329 0.004 0.000 1.935 24 c CB -0.484 42.015 42.510 -0.019 0.000 2.431 24 c HN 1.032 nan 8.230 nan 0.000 0.545 25 G N 2.681 111.075 108.800 -0.676 0.000 2.490 25 G HA2 0.636 4.653 3.960 0.094 0.000 0.308 25 G HA3 0.636 4.653 3.960 0.094 0.000 0.308 25 G C -1.919 172.665 174.900 -0.526 0.000 1.286 25 G CA -0.432 44.020 45.100 -1.081 0.000 0.825 25 G HN 0.488 nan 8.290 nan 0.000 0.479 26 M N 0.134 119.509 119.600 -0.375 0.000 2.326 26 M HA 0.761 5.298 4.480 0.094 0.000 0.292 26 M C -0.052 176.297 176.300 0.082 0.000 1.081 26 M CA 0.208 55.474 55.300 -0.057 0.000 0.919 26 M CB 1.346 33.936 32.600 -0.018 0.000 1.634 26 M HN 2.344 nan 8.290 nan 0.000 0.451 27 G N 2.191 111.073 108.800 0.137 0.000 2.354 27 G HA2 0.252 4.268 3.960 0.094 0.000 0.582 27 G HA3 0.252 4.268 3.960 0.094 0.000 0.582 27 G C 0.164 174.968 174.900 -0.160 0.000 1.316 27 G CA -0.253 44.944 45.100 0.162 0.000 0.995 27 G HN 1.201 nan 8.290 nan 0.000 0.573 28 G N -0.700 107.999 108.800 -0.168 0.000 2.432 28 G HA2 -0.048 3.968 3.960 0.094 0.000 0.219 28 G HA3 -0.048 3.968 3.960 0.094 0.000 0.219 28 G C 1.194 175.858 174.900 -0.393 0.000 1.135 28 G CA 1.991 46.748 45.100 -0.571 0.000 0.767 28 G HN 0.663 nan 8.290 nan 0.000 0.550 29 D N -0.320 119.958 120.400 -0.203 0.000 2.144 29 D HA -0.071 4.626 4.640 0.094 0.000 0.199 29 D C 1.907 177.925 176.300 -0.471 0.000 0.984 29 D CA 0.949 54.762 54.000 -0.312 0.000 0.834 29 D CB -0.108 40.472 40.800 -0.367 0.000 0.955 29 D HN 0.512 nan 8.370 nan 0.000 0.465 30 Y N -0.789 119.388 120.300 -0.205 0.000 2.441 30 Y HA 0.110 4.717 4.550 0.095 0.000 0.288 30 Y C 2.484 178.196 175.900 -0.313 0.000 1.118 30 Y CA 0.128 58.115 58.100 -0.188 0.000 1.215 30 Y CB -0.250 38.147 38.460 -0.104 0.000 1.118 30 Y HN -0.011 nan 8.280 nan 0.000 0.547 31 c N -0.150 118.216 118.600 -0.391 0.000 2.533 31 c HA 0.285 4.911 4.570 0.094 0.000 0.272 31 c C 2.267 175.769 174.090 -0.981 0.000 1.371 31 c CA 0.332 56.209 56.329 -0.753 0.000 1.758 31 c CB -1.327 40.596 42.510 -0.977 0.000 1.972 31 c HN 0.618 nan 8.230 nan 0.000 0.522 32 G N 0.307 108.516 108.800 -0.985 0.000 2.597 32 G HA2 0.068 4.085 3.960 0.094 0.000 0.194 32 G HA3 0.068 4.085 3.960 0.094 0.000 0.194 32 G C 0.105 174.873 174.900 -0.220 0.000 1.625 32 G CA -0.321 44.473 45.100 -0.510 0.000 1.050 32 G HN 0.407 nan 8.290 nan 0.000 0.531 33 K N 0.599 120.920 120.400 -0.132 0.000 2.484 33 K HA 0.265 4.641 4.320 0.094 0.000 0.280 33 K C 1.200 177.713 176.600 -0.146 0.000 1.013 33 K CA 0.972 57.203 56.287 -0.095 0.000 1.029 33 K CB -0.027 32.434 32.500 -0.066 0.000 0.902 33 K HN 1.021 nan 8.250 nan 0.000 0.481 34 G N 2.858 111.584 108.800 -0.124 0.000 2.184 34 G HA2 -0.322 3.694 3.960 0.094 0.000 0.264 34 G HA3 -0.322 3.694 3.960 0.094 0.000 0.264 34 G C 0.423 175.233 174.900 -0.150 0.000 0.975 34 G CA 0.192 45.200 45.100 -0.154 0.000 0.642 34 G HN 0.807 nan 8.290 nan 0.000 0.536 35 c N 0.576 119.096 118.600 -0.132 0.000 2.563 35 c HA 0.420 5.047 4.570 0.094 0.000 0.411 35 c C 1.966 176.013 174.090 -0.071 0.000 1.386 35 c CA 1.204 57.469 56.329 -0.106 0.000 1.703 35 c CB 0.311 42.754 42.510 -0.112 0.000 2.596 35 c HN 0.647 nan 8.230 nan 0.000 0.605 36 Q N 3.064 122.830 119.800 -0.057 0.000 2.390 36 Q HA 0.191 4.587 4.340 0.094 0.000 0.216 36 Q C 0.519 176.501 176.000 -0.030 0.000 0.916 36 Q CA 0.670 56.446 55.803 -0.046 0.000 0.911 36 Q CB 0.181 28.889 28.738 -0.050 0.000 1.035 36 Q HN 0.959 nan 8.270 nan 0.000 0.541 37 N N -1.467 117.221 118.700 -0.021 0.000 3.277 37 N HA 0.449 5.246 4.740 0.094 0.000 0.278 37 N C -0.134 175.372 175.510 -0.005 0.000 1.544 37 N CA -0.237 52.803 53.050 -0.016 0.000 0.869 37 N CB 1.357 39.835 38.487 -0.016 0.000 1.584 37 N HN 0.119 nan 8.380 nan 0.000 0.564 38 G N -0.286 108.514 108.800 0.001 0.000 2.632 38 G HA2 0.039 4.056 3.960 0.094 0.000 0.224 38 G HA3 0.039 4.056 3.960 0.094 0.000 0.224 38 G C 0.008 174.922 174.900 0.024 0.000 1.341 38 G CA 0.048 45.159 45.100 0.018 0.000 0.880 38 G HN 1.281 nan 8.290 nan 0.000 0.566 39 A N -0.553 122.299 122.820 0.052 0.000 2.810 39 A HA 0.460 4.837 4.320 0.094 0.000 0.247 39 A C 1.236 178.904 177.584 0.140 0.000 1.576 39 A CA 0.944 53.037 52.037 0.093 0.000 1.294 39 A CB -1.339 17.736 19.000 0.125 0.000 0.976 39 A HN 1.555 nan 8.150 nan 0.000 0.631 40 c N -0.200 118.451 118.600 0.085 0.000 2.634 40 c HA -0.038 4.589 4.570 0.094 0.000 0.417 40 c C 1.486 175.736 174.090 0.266 0.000 1.334 40 c CA -0.250 56.133 56.329 0.092 0.000 1.829 40 c CB -0.852 41.682 42.510 0.040 0.000 2.665 40 c HN 0.837 nan 8.230 nan 0.000 0.614 41 W N 1.475 122.785 121.300 0.016 0.000 2.363 41 W HA 0.002 4.714 4.660 0.088 0.000 0.296 41 W C 1.282 177.814 176.519 0.021 0.000 1.212 41 W CA 0.767 58.122 57.345 0.018 0.000 1.260 41 W CB -1.303 28.170 29.460 0.021 0.000 1.131 41 W HN 0.512 nan 8.180 nan 0.000 0.530 42 T N 1.083 115.783 114.554 0.243 0.000 2.767 42 T HA 0.356 4.763 4.350 0.094 0.000 0.284 42 T C 0.095 174.881 174.700 0.143 0.000 0.973 42 T CA -0.449 61.750 62.100 0.166 0.000 0.996 42 T CB 1.569 70.518 68.868 0.136 0.000 0.927 42 T HN -0.319 nan 8.240 nan 0.000 0.456 43 S N 3.777 119.580 115.700 0.171 0.000 2.548 43 S HA 0.192 4.718 4.470 0.094 0.000 0.277 43 S C 0.611 175.300 174.600 0.150 0.000 1.315 43 S CA -0.832 57.466 58.200 0.164 0.000 1.050 43 S CB 0.415 63.758 63.200 0.240 0.000 0.918 43 S HN 0.507 nan 8.310 nan 0.000 0.497 44 K N 2.233 122.670 120.400 0.062 0.000 2.319 44 K HA 0.248 4.625 4.320 0.094 0.000 0.265 44 K C -0.008 176.570 176.600 -0.037 0.000 1.000 44 K CA -0.608 55.683 56.287 0.007 0.000 0.943 44 K CB 0.334 32.824 32.500 -0.018 0.000 0.950 44 K HN 0.341 nan 8.250 nan 0.000 0.485 45 R N 0.792 121.230 120.500 -0.103 0.000 2.459 45 R HA 0.317 4.714 4.340 0.094 0.000 0.281 45 R C 0.183 176.399 176.300 -0.139 0.000 1.050 45 R CA -0.456 55.514 56.100 -0.218 0.000 1.055 45 R CB 0.521 30.678 30.300 -0.238 0.000 1.045 45 R HN 0.980 nan 8.270 nan 0.000 0.495 46 c N -2.206 116.306 118.600 -0.147 0.000 3.318 46 c HA 0.864 5.491 4.570 0.094 0.000 0.329 46 c C 1.031 175.084 174.090 -0.062 0.000 1.449 46 c CA -0.218 56.064 56.329 -0.078 0.000 1.397 46 c CB 0.833 43.314 42.510 -0.048 0.000 1.810 46 c HN 1.005 nan 8.230 nan 0.000 0.449 47 G N 1.396 110.174 108.800 -0.036 0.000 2.578 47 G HA2 -0.234 3.782 3.960 0.094 0.000 0.313 47 G HA3 -0.234 3.782 3.960 0.094 0.000 0.313 47 G C 1.021 175.906 174.900 -0.024 0.000 1.324 47 G CA 0.982 46.068 45.100 -0.023 0.000 0.955 47 G HN 1.815 nan 8.290 nan 0.000 0.541 48 S N -0.426 115.266 115.700 -0.013 0.000 2.399 48 S HA -0.272 4.255 4.470 0.094 0.000 0.235 48 S C 2.345 176.936 174.600 -0.015 0.000 1.063 48 S CA 2.665 60.860 58.200 -0.008 0.000 1.070 48 S CB -0.319 62.884 63.200 0.005 0.000 0.904 48 S HN 0.650 nan 8.310 nan 0.000 0.456 49 Q N -0.008 119.776 119.800 -0.027 0.000 2.378 49 Q HA 0.323 4.719 4.340 0.094 0.000 0.205 49 Q C 0.864 176.827 176.000 -0.063 0.000 0.954 49 Q CA 0.955 56.731 55.803 -0.044 0.000 0.901 49 Q CB 0.037 28.734 28.738 -0.069 0.000 0.981 49 Q HN 0.499 nan 8.270 nan 0.000 0.483 50 A N -0.453 122.329 122.820 -0.062 0.000 3.253 50 A HA 0.585 4.962 4.320 0.094 0.000 0.290 50 A C 0.734 178.294 177.584 -0.040 0.000 0.950 50 A CA -0.133 51.868 52.037 -0.060 0.000 0.986 50 A CB -0.536 18.415 19.000 -0.081 0.000 1.104 50 A HN 0.214 nan 8.150 nan 0.000 0.481 51 G N -0.165 108.618 108.800 -0.029 0.000 2.402 51 G HA2 0.089 4.106 3.960 0.094 0.000 0.300 51 G HA3 0.089 4.106 3.960 0.094 0.000 0.300 51 G C 1.532 176.421 174.900 -0.018 0.000 0.987 51 G CA 1.266 46.354 45.100 -0.021 0.000 0.881 51 G HN 2.422 nan 8.290 nan 0.000 0.512 52 G N -2.306 106.483 108.800 -0.020 0.000 2.132 52 G HA2 0.189 4.205 3.960 0.094 0.000 0.234 52 G HA3 0.189 4.205 3.960 0.094 0.000 0.234 52 G C 0.756 175.645 174.900 -0.018 0.000 0.989 52 G CA 0.981 46.071 45.100 -0.016 0.000 0.676 52 G HN 2.264 nan 8.290 nan 0.000 0.522 53 A N -0.215 122.590 122.820 -0.025 0.000 2.531 53 A HA 0.610 4.986 4.320 0.094 0.000 0.236 53 A C 0.847 178.416 177.584 -0.025 0.000 1.062 53 A CA 1.536 53.557 52.037 -0.027 0.000 0.760 53 A CB 0.434 19.412 19.000 -0.037 0.000 0.995 53 A HN 1.278 nan 8.150 nan 0.000 0.501 54 T N 1.021 115.562 114.554 -0.022 0.000 2.934 54 T HA 0.441 4.848 4.350 0.094 0.000 0.283 54 T C 0.005 174.686 174.700 -0.031 0.000 1.005 54 T CA -0.492 61.595 62.100 -0.021 0.000 1.041 54 T CB 0.109 68.969 68.868 -0.013 0.000 1.042 54 T HN 0.763 nan 8.240 nan 0.000 0.505 55 c N 3.079 121.656 118.600 -0.039 0.000 2.398 55 c HA 0.673 5.300 4.570 0.094 0.000 0.364 55 c C 1.335 175.394 174.090 -0.052 0.000 1.219 55 c CA -0.775 55.519 56.329 -0.059 0.000 2.312 55 c CB 0.417 42.868 42.510 -0.099 0.000 2.428 55 c HN 1.041 nan 8.230 nan 0.000 0.564 56 T N -0.508 114.013 114.554 -0.056 0.000 2.824 56 T HA 0.317 4.723 4.350 0.094 0.000 0.277 56 T C 0.251 174.926 174.700 -0.041 0.000 0.975 56 T CA -0.374 61.704 62.100 -0.036 0.000 0.966 56 T CB 0.085 68.935 68.868 -0.029 0.000 1.054 56 T HN 0.746 nan 8.240 nan 0.000 0.533 57 N N 0.849 119.545 118.700 -0.005 0.000 2.708 57 N HA -0.208 4.588 4.740 0.094 0.000 0.249 57 N C -0.143 175.408 175.510 0.068 0.000 1.097 57 N CA 0.847 53.916 53.050 0.033 0.000 0.710 57 N CB -1.914 36.600 38.487 0.045 0.000 1.032 57 N HN 0.725 nan 8.380 nan 0.000 0.551 58 N N -1.559 117.165 118.700 0.039 0.000 2.725 58 N HA -0.205 4.592 4.740 0.094 0.000 0.249 58 N C -0.644 174.899 175.510 0.055 0.000 1.103 58 N CA 1.135 54.230 53.050 0.074 0.000 0.707 58 N CB -0.842 37.725 38.487 0.132 0.000 1.043 58 N HN 0.696 nan 8.380 nan 0.000 0.553 59 Q N -0.571 119.137 119.800 -0.154 0.000 2.368 59 Q HA 0.322 4.719 4.340 0.094 0.000 0.237 59 Q C 0.112 175.960 176.000 -0.255 0.000 0.987 59 Q CA -0.029 55.459 55.803 -0.526 0.000 0.896 59 Q CB 0.997 29.367 28.738 -0.614 0.000 1.241 59 Q HN 0.305 nan 8.270 nan 0.000 0.485 60 c N 1.267 119.707 118.600 -0.266 0.000 2.527 60 c HA 0.190 4.816 4.570 0.094 0.000 0.396 60 c C 0.502 174.601 174.090 0.015 0.000 1.289 60 c CA -0.948 55.370 56.329 -0.019 0.000 2.047 60 c CB -0.126 42.450 42.510 0.110 0.000 2.568 60 c HN 0.789 nan 8.230 nan 0.000 0.573 61 c N 5.757 124.380 118.600 0.040 0.000 2.256 61 c HA 0.477 5.103 4.570 0.094 0.000 0.333 61 c C 1.086 175.230 174.090 0.090 0.000 1.183 61 c CA -0.269 56.099 56.329 0.065 0.000 1.692 61 c CB -1.577 40.945 42.510 0.020 0.000 2.274 61 c HN 1.061 nan 8.230 nan 0.000 0.509 62 S N 4.680 120.475 115.700 0.160 0.000 2.596 62 S HA 0.060 4.587 4.470 0.094 0.000 0.260 62 S C 1.298 175.874 174.600 -0.040 0.000 1.336 62 S CA 0.312 58.522 58.200 0.017 0.000 0.993 62 S CB 0.627 63.768 63.200 -0.099 0.000 0.923 62 S HN 0.910 nan 8.310 nan 0.000 0.567 63 Q N 0.500 120.184 119.800 -0.194 0.000 2.291 63 Q HA -0.166 4.231 4.340 0.094 0.000 0.206 63 Q C 0.871 176.813 176.000 -0.097 0.000 0.976 63 Q CA 1.530 57.209 55.803 -0.206 0.000 0.875 63 Q CB -0.587 27.965 28.738 -0.310 0.000 0.927 63 Q HN 0.937 nan 8.270 nan 0.000 0.450 64 Y N 0.403 120.749 120.300 0.077 0.000 2.470 64 Y HA 0.270 4.876 4.550 0.094 0.000 0.284 64 Y C 1.168 177.151 175.900 0.138 0.000 1.188 64 Y CA -0.235 57.955 58.100 0.150 0.000 1.269 64 Y CB 0.631 39.236 38.460 0.242 0.000 1.094 64 Y HN 0.377 nan 8.280 nan 0.000 0.518 65 G N 0.065 108.957 108.800 0.153 0.000 2.176 65 G HA2 -0.325 3.691 3.960 0.094 0.000 0.252 65 G HA3 -0.325 3.691 3.960 0.094 0.000 0.252 65 G C -0.631 174.110 174.900 -0.265 0.000 1.024 65 G CA -0.264 44.800 45.100 -0.060 0.000 0.755 65 G HN 0.419 nan 8.290 nan 0.000 0.507 66 Y N -0.991 119.395 120.300 0.145 0.000 2.409 66 Y HA 0.582 5.186 4.550 0.091 0.000 0.339 66 Y C 1.109 177.139 175.900 0.217 0.000 1.033 66 Y CA -1.075 57.139 58.100 0.190 0.000 1.094 66 Y CB 1.402 40.036 38.460 0.290 0.000 1.210 66 Y HN 0.231 nan 8.280 nan 0.000 0.456 67 c N 2.366 121.084 118.600 0.197 0.000 2.452 67 c HA 0.858 5.485 4.570 0.094 0.000 0.379 67 c C 0.895 174.798 174.090 -0.311 0.000 1.275 67 c CA 0.049 56.367 56.329 -0.018 0.000 2.056 67 c CB -0.338 42.119 42.510 -0.088 0.000 2.506 67 c HN 1.053 nan 8.230 nan 0.000 0.560 68 G N 1.482 109.920 108.800 -0.602 0.000 2.341 68 G HA2 0.631 4.647 3.960 0.094 0.000 0.299 68 G HA3 0.631 4.647 3.960 0.094 0.000 0.299 68 G C -1.885 172.517 174.900 -0.831 0.000 1.274 68 G CA -0.361 44.062 45.100 -1.129 0.000 0.853 68 G HN 0.393 nan 8.290 nan 0.000 0.493 69 F N -0.226 119.523 119.950 -0.334 0.000 2.613 69 F HA 0.847 5.366 4.527 -0.014 0.000 0.314 69 F C 0.710 176.572 175.800 0.104 0.000 1.075 69 F CA 0.118 58.093 58.000 -0.042 0.000 0.945 69 F CB 2.076 41.055 39.000 -0.035 0.000 1.310 69 F HN 1.695 nan 8.300 nan 0.000 0.467 70 G N 0.245 109.258 108.800 0.354 0.000 2.603 70 G HA2 0.351 4.368 3.960 0.094 0.000 0.686 70 G HA3 0.351 4.368 3.960 0.094 0.000 0.686 70 G C 0.449 175.479 174.900 0.217 0.000 1.286 70 G CA -0.156 45.089 45.100 0.242 0.000 0.871 70 G HN 1.273 nan 8.290 nan 0.000 0.568 71 A N -0.300 122.594 122.820 0.124 0.000 1.884 71 A HA -0.085 4.291 4.320 0.094 0.000 0.219 71 A C 2.114 179.709 177.584 0.018 0.000 1.197 71 A CA 2.771 54.844 52.037 0.060 0.000 0.637 71 A CB -0.724 18.294 19.000 0.029 0.000 0.827 71 A HN 1.138 nan 8.150 nan 0.000 0.450 72 E N -1.504 118.682 120.200 -0.024 0.000 2.219 72 E HA -0.189 4.218 4.350 0.094 0.000 0.198 72 E C 1.529 177.889 176.600 -0.400 0.000 0.998 72 E CA 1.746 58.009 56.400 -0.229 0.000 0.818 72 E CB -0.326 29.174 29.700 -0.333 0.000 0.741 72 E HN 0.863 nan 8.360 nan 0.000 0.477 73 Y N -2.234 118.074 120.300 0.013 0.000 2.422 73 Y HA 0.074 4.688 4.550 0.106 0.000 0.291 73 Y C 2.117 178.023 175.900 0.011 0.000 1.144 73 Y CA 0.372 58.478 58.100 0.009 0.000 1.208 73 Y CB -0.016 38.455 38.460 0.018 0.000 1.195 73 Y HN 0.043 nan 8.280 nan 0.000 0.535 74 c N -0.120 118.599 118.600 0.198 0.000 2.533 74 c HA 0.312 4.939 4.570 0.094 0.000 0.272 74 c C 2.045 176.169 174.090 0.057 0.000 1.371 74 c CA 0.167 56.575 56.329 0.132 0.000 1.758 74 c CB -1.400 41.212 42.510 0.169 0.000 1.972 74 c HN 0.569 nan 8.230 nan 0.000 0.522 75 G N 0.608 109.427 108.800 0.032 0.000 2.441 75 G HA2 0.412 4.428 3.960 0.094 0.000 0.258 75 G HA3 0.412 4.428 3.960 0.094 0.000 0.258 75 G C 0.287 175.167 174.900 -0.033 0.000 1.487 75 G CA 0.356 45.452 45.100 -0.007 0.000 1.058 75 G HN 0.620 nan 8.290 nan 0.000 0.552 76 A N -1.934 120.856 122.820 -0.050 0.000 2.540 76 A HA 0.489 4.865 4.320 0.094 0.000 0.239 76 A C 1.595 179.125 177.584 -0.091 0.000 1.061 76 A CA 1.394 53.396 52.037 -0.059 0.000 0.758 76 A CB -0.521 18.444 19.000 -0.059 0.000 0.991 76 A HN 2.516 nan 8.150 nan 0.000 0.502 77 G N 0.275 109.029 108.800 -0.077 0.000 2.217 77 G HA2 -0.261 3.756 3.960 0.094 0.000 0.246 77 G HA3 -0.261 3.756 3.960 0.094 0.000 0.246 77 G C 0.843 175.697 174.900 -0.076 0.000 0.990 77 G CA 0.405 45.447 45.100 -0.096 0.000 0.627 77 G HN 2.019 nan 8.290 nan 0.000 0.522 78 c N 2.444 121.013 118.600 -0.053 0.000 2.519 78 c HA 0.412 5.038 4.570 0.094 0.000 0.402 78 c C 1.980 176.066 174.090 -0.007 0.000 1.475 78 c CA 1.136 57.454 56.329 -0.018 0.000 1.504 78 c CB -0.446 42.069 42.510 0.008 0.000 2.454 78 c HN 0.660 nan 8.230 nan 0.000 0.615 79 Q N 4.616 124.415 119.800 -0.002 0.000 2.392 79 Q HA 0.406 4.802 4.340 0.094 0.000 0.203 79 Q C 0.707 176.712 176.000 0.008 0.000 0.917 79 Q CA 0.475 56.279 55.803 0.002 0.000 0.939 79 Q CB 0.356 29.093 28.738 -0.001 0.000 1.063 79 Q HN 0.903 nan 8.270 nan 0.000 0.516 80 G N -0.975 107.833 108.800 0.013 0.000 2.489 80 G HA2 0.501 4.518 3.960 0.094 0.000 0.291 80 G HA3 0.501 4.518 3.960 0.094 0.000 0.291 80 G C -0.697 174.213 174.900 0.017 0.000 1.487 80 G CA -0.114 44.993 45.100 0.012 0.000 0.795 80 G HN 0.488 nan 8.290 nan 0.000 0.513 81 G N -0.317 108.494 108.800 0.017 0.000 2.549 81 G HA2 0.233 4.250 3.960 0.094 0.000 0.404 81 G HA3 0.233 4.250 3.960 0.094 0.000 0.404 81 G C -2.583 172.344 174.900 0.046 0.000 1.292 81 G CA -0.020 45.099 45.100 0.031 0.000 0.935 81 G HN 1.083 nan 8.290 nan 0.000 0.512 82 P HA 0.314 nan 4.420 nan 0.000 0.235 82 P C 0.603 177.943 177.300 0.068 0.000 1.720 82 P CA -0.187 62.952 63.100 0.065 0.000 1.003 82 P CB -0.729 31.034 31.700 0.105 0.000 1.968 83 c N 1.525 120.152 118.600 0.045 0.000 2.634 83 c HA 0.050 4.677 4.570 0.094 0.000 0.417 83 c C 2.407 176.506 174.090 0.015 0.000 1.334 83 c CA -0.094 56.256 56.329 0.035 0.000 1.829 83 c CB -0.633 41.889 42.510 0.020 0.000 2.665 83 c HN 0.494 nan 8.230 nan 0.000 0.614 84 R N 1.627 122.137 120.500 0.017 0.000 2.193 84 R HA -0.057 4.340 4.340 0.094 0.000 0.229 84 R C 0.815 177.100 176.300 -0.025 0.000 1.110 84 R CA 1.126 57.226 56.100 0.000 0.000 0.988 84 R CB -0.053 30.252 30.300 0.008 0.000 0.871 84 R HN 0.812 nan 8.270 nan 0.000 0.458 85 A N 1.511 124.311 122.820 -0.033 0.000 2.290 85 A HA 0.187 4.564 4.320 0.094 0.000 0.310 85 A C -0.806 176.727 177.584 -0.085 0.000 1.202 85 A CA -0.867 51.136 52.037 -0.058 0.000 0.837 85 A CB 0.577 19.555 19.000 -0.037 0.000 1.139 85 A HN 0.059 nan 8.150 nan 0.000 0.509 86 D N 1.533 121.828 120.400 -0.174 0.000 2.583 86 D HA 0.022 4.719 4.640 0.094 0.000 0.232 86 D C -0.015 176.224 176.300 -0.102 0.000 1.128 86 D CA 1.291 55.117 54.000 -0.291 0.000 0.859 86 D CB 0.491 40.782 40.800 -0.849 0.000 1.169 86 D HN 0.381 nan 8.370 nan 0.000 0.481 87 I N 2.456 123.042 120.570 0.027 0.000 2.339 87 I HA 0.127 4.354 4.170 0.094 0.000 0.290 87 I C 0.965 177.265 176.117 0.305 0.000 0.994 87 I CA -0.774 60.601 61.300 0.124 0.000 1.191 87 I CB 1.145 39.191 38.000 0.077 0.000 1.343 87 I HN -0.058 nan 8.210 nan 0.000 0.458 88 K N 4.962 125.543 120.400 0.302 0.000 2.126 88 K HA 0.619 4.995 4.320 0.094 0.000 0.257 88 K C -0.391 176.296 176.600 0.146 0.000 1.007 88 K CA -0.118 56.346 56.287 0.294 0.000 0.928 88 K CB 1.758 34.397 32.500 0.231 0.000 1.013 88 K HN 0.939 nan 8.250 nan 0.000 0.473 89 c N -2.379 116.268 118.600 0.079 0.000 3.165 89 c HA 0.738 5.365 4.570 0.094 0.000 0.345 89 c C 0.161 174.244 174.090 -0.011 0.000 1.367 89 c CA -0.204 56.145 56.329 0.034 0.000 1.205 89 c CB 0.206 42.748 42.510 0.052 0.000 1.447 89 c HN 1.058 nan 8.230 nan 0.000 0.451 90 G N 0.845 109.633 108.800 -0.021 0.000 2.660 90 G HA2 0.225 4.241 3.960 0.094 0.000 0.247 90 G HA3 0.225 4.241 3.960 0.094 0.000 0.247 90 G C 0.672 175.547 174.900 -0.041 0.000 1.328 90 G CA 0.445 45.518 45.100 -0.044 0.000 0.884 90 G HN 2.604 nan 8.290 nan 0.000 0.531 91 S N -1.004 114.667 115.700 -0.049 0.000 2.420 91 S HA -0.206 4.320 4.470 0.094 0.000 0.237 91 S C 1.999 176.581 174.600 -0.029 0.000 1.023 91 S CA 2.331 60.509 58.200 -0.037 0.000 0.991 91 S CB -0.254 62.923 63.200 -0.039 0.000 0.792 91 S HN 0.788 nan 8.310 nan 0.000 0.488 92 Q N 1.465 121.242 119.800 -0.038 0.000 2.291 92 Q HA 0.283 4.680 4.340 0.094 0.000 0.206 92 Q C 1.331 177.323 176.000 -0.013 0.000 0.976 92 Q CA 1.315 57.099 55.803 -0.031 0.000 0.875 92 Q CB -0.292 28.408 28.738 -0.063 0.000 0.927 92 Q HN 0.778 nan 8.270 nan 0.000 0.450 93 A N -0.716 122.099 122.820 -0.009 0.000 2.795 93 A HA 0.576 4.953 4.320 0.094 0.000 0.282 93 A C 0.579 178.165 177.584 0.004 0.000 0.964 93 A CA -0.066 51.976 52.037 0.008 0.000 1.045 93 A CB -0.388 18.627 19.000 0.026 0.000 1.174 93 A HN 0.226 nan 8.150 nan 0.000 0.493 94 G N -0.421 108.377 108.800 -0.003 0.000 2.314 94 G HA2 0.141 4.158 3.960 0.094 0.000 0.292 94 G HA3 0.141 4.158 3.960 0.094 0.000 0.292 94 G C 1.516 176.409 174.900 -0.011 0.000 1.059 94 G CA 0.902 45.998 45.100 -0.006 0.000 0.982 94 G HN 2.282 nan 8.290 nan 0.000 0.505 95 G N -1.024 107.766 108.800 -0.018 0.000 2.175 95 G HA2 -0.347 3.670 3.960 0.094 0.000 0.265 95 G HA3 -0.347 3.670 3.960 0.094 0.000 0.265 95 G C 0.607 175.493 174.900 -0.024 0.000 0.979 95 G CA 1.495 46.580 45.100 -0.025 0.000 0.663 95 G HN 1.392 nan 8.290 nan 0.000 0.533 96 K N -0.302 120.090 120.400 -0.013 0.000 2.518 96 K HA 0.387 4.763 4.320 0.094 0.000 0.276 96 K C 0.615 177.206 176.600 -0.014 0.000 0.974 96 K CA 0.149 56.431 56.287 -0.008 0.000 0.986 96 K CB 0.081 32.586 32.500 0.008 0.000 0.901 96 K HN 0.275 nan 8.250 nan 0.000 0.497 97 L N 3.442 124.654 121.223 -0.018 0.000 2.331 97 L HA 0.358 4.755 4.340 0.094 0.000 0.275 97 L C -0.352 176.514 176.870 -0.007 0.000 1.022 97 L CA -1.245 53.580 54.840 -0.026 0.000 0.812 97 L CB 1.757 43.786 42.059 -0.051 0.000 1.257 97 L HN 0.749 nan 8.230 nan 0.000 0.435 98 c N 2.432 121.032 118.600 0.000 0.000 2.689 98 c HA 0.250 4.877 4.570 0.094 0.000 0.409 98 c C -1.623 172.469 174.090 0.004 0.000 1.293 98 c CA -0.804 55.532 56.329 0.012 0.000 2.136 98 c CB -0.446 42.074 42.510 0.017 0.000 2.719 98 c HN 0.510 nan 8.230 nan 0.000 0.644 99 P HA 0.113 nan 4.420 nan 0.000 0.277 99 P C -0.461 176.844 177.300 0.009 0.000 1.240 99 P CA 0.047 63.151 63.100 0.006 0.000 0.798 99 P CB 0.275 31.978 31.700 0.005 0.000 0.979 100 N N 1.618 120.326 118.700 0.014 0.000 2.727 100 N HA -0.224 4.573 4.740 0.094 0.000 0.249 100 N C -0.273 175.256 175.510 0.031 0.000 1.048 100 N CA 0.191 53.253 53.050 0.020 0.000 0.714 100 N CB -1.251 37.243 38.487 0.012 0.000 0.959 100 N HN 0.550 nan 8.380 nan 0.000 0.544 101 N N -1.648 117.083 118.700 0.051 0.000 2.741 101 N HA -0.194 4.603 4.740 0.094 0.000 0.251 101 N C -0.203 175.342 175.510 0.059 0.000 1.112 101 N CA 0.981 54.084 53.050 0.088 0.000 0.750 101 N CB -0.954 37.600 38.487 0.112 0.000 1.119 101 N HN 0.505 nan 8.380 nan 0.000 0.561 102 L N 0.659 121.896 121.223 0.023 0.000 2.461 102 L HA 0.105 4.501 4.340 0.094 0.000 0.272 102 L C 1.131 178.012 176.870 0.019 0.000 1.197 102 L CA -0.008 54.829 54.840 -0.005 0.000 0.836 102 L CB 0.487 42.521 42.059 -0.042 0.000 1.105 102 L HN 0.126 nan 8.230 nan 0.000 0.477 103 c N 1.637 120.252 118.600 0.026 0.000 2.593 103 c HA 0.111 4.737 4.570 0.094 0.000 0.409 103 c C 0.779 174.938 174.090 0.114 0.000 1.304 103 c CA -0.895 55.483 56.329 0.081 0.000 2.007 103 c CB 0.351 42.945 42.510 0.140 0.000 2.614 103 c HN 0.808 nan 8.230 nan 0.000 0.585 104 c N 5.513 124.164 118.600 0.085 0.000 2.192 104 c HA 0.430 5.056 4.570 0.094 0.000 0.337 104 c C 1.171 175.298 174.090 0.061 0.000 1.103 104 c CA -0.323 56.056 56.329 0.082 0.000 1.581 104 c CB -1.941 40.579 42.510 0.017 0.000 2.070 104 c HN 1.098 nan 8.230 nan 0.000 0.485 105 S N 3.916 119.711 115.700 0.158 0.000 2.572 105 S HA -0.068 4.459 4.470 0.094 0.000 0.262 105 S C 1.194 175.637 174.600 -0.262 0.000 1.375 105 S CA 0.373 58.563 58.200 -0.017 0.000 0.996 105 S CB 0.405 63.589 63.200 -0.028 0.000 0.892 105 S HN 0.911 nan 8.310 nan 0.000 0.562 106 Q N 0.316 119.775 119.800 -0.569 0.000 2.181 106 Q HA -0.125 4.272 4.340 0.094 0.000 0.205 106 Q C 1.239 176.672 176.000 -0.944 0.000 0.980 106 Q CA 1.967 57.232 55.803 -0.897 0.000 0.862 106 Q CB -0.208 27.701 28.738 -1.381 0.000 0.905 106 Q HN 0.927 nan 8.270 nan 0.000 0.429 107 W N -1.034 120.178 121.300 -0.147 0.000 3.047 107 W HA 0.310 5.026 4.660 0.093 0.000 0.250 107 W C 1.147 177.408 176.519 -0.431 0.000 1.314 107 W CA 0.098 57.289 57.345 -0.257 0.000 1.540 107 W CB 0.305 29.624 29.460 -0.235 0.000 1.127 107 W HN 0.254 nan 8.180 nan 0.000 0.679 108 G N -0.471 108.175 108.800 -0.257 0.000 2.141 108 G HA2 -0.226 3.791 3.960 0.094 0.000 0.195 108 G HA3 -0.226 3.791 3.960 0.094 0.000 0.195 108 G C -0.591 174.089 174.900 -0.366 0.000 1.012 108 G CA -0.777 44.151 45.100 -0.286 0.000 0.696 108 G HN 0.062 nan 8.290 nan 0.000 0.508 109 F N -0.339 119.722 119.950 0.184 0.000 2.561 109 F HA 0.694 5.277 4.527 0.093 0.000 0.321 109 F C 0.712 176.669 175.800 0.261 0.000 1.065 109 F CA -1.928 56.207 58.000 0.224 0.000 0.934 109 F CB 1.427 40.607 39.000 0.299 0.000 1.215 109 F HN 0.104 nan 8.300 nan 0.000 0.471 110 c N 1.720 120.556 118.600 0.394 0.000 2.307 110 c HA 0.867 5.493 4.570 0.094 0.000 0.340 110 c C 0.733 174.697 174.090 -0.211 0.000 1.275 110 c CA -0.216 56.184 56.329 0.117 0.000 1.811 110 c CB -0.253 42.295 42.510 0.063 0.000 2.372 110 c HN 1.008 nan 8.230 nan 0.000 0.531 111 G N 2.104 110.594 108.800 -0.517 0.000 2.664 111 G HA2 0.670 4.687 3.960 0.094 0.000 0.303 111 G HA3 0.670 4.687 3.960 0.094 0.000 0.303 111 G C -2.186 172.367 174.900 -0.579 0.000 1.243 111 G CA -0.331 44.089 45.100 -1.133 0.000 0.826 111 G HN 0.534 nan 8.290 nan 0.000 0.498 112 L N -0.027 120.890 121.223 -0.511 0.000 2.543 112 L HA 0.772 5.168 4.340 0.094 0.000 0.265 112 L C 0.080 176.983 176.870 0.055 0.000 0.945 112 L CA 1.122 55.899 54.840 -0.106 0.000 0.869 112 L CB 1.615 43.626 42.059 -0.080 0.000 1.294 112 L HN 2.061 nan 8.230 nan 0.000 0.405 113 G N 1.537 110.449 108.800 0.187 0.000 2.359 113 G HA2 0.181 4.198 3.960 0.094 0.000 0.314 113 G HA3 0.181 4.198 3.960 0.094 0.000 0.314 113 G C 0.293 175.336 174.900 0.238 0.000 1.364 113 G CA -0.043 45.187 45.100 0.216 0.000 0.978 113 G HN 0.911 nan 8.290 nan 0.000 0.615 114 S N -0.474 115.316 115.700 0.150 0.000 2.383 114 S HA -0.156 4.371 4.470 0.094 0.000 0.229 114 S C 1.712 176.350 174.600 0.063 0.000 1.030 114 S CA 2.284 60.539 58.200 0.092 0.000 1.002 114 S CB -0.296 62.938 63.200 0.056 0.000 0.829 114 S HN 0.678 nan 8.310 nan 0.000 0.467 115 E N 0.914 121.136 120.200 0.037 0.000 2.153 115 E HA 0.006 4.413 4.350 0.094 0.000 0.194 115 E C 1.351 177.744 176.600 -0.346 0.000 0.988 115 E CA 1.337 57.615 56.400 -0.203 0.000 0.811 115 E CB -0.334 29.125 29.700 -0.402 0.000 0.746 115 E HN 0.768 nan 8.360 nan 0.000 0.466 116 F N -1.794 118.186 119.950 0.050 0.000 2.514 116 F HA 0.122 4.715 4.527 0.109 0.000 0.281 116 F C 1.915 177.714 175.800 -0.002 0.000 1.060 116 F CA -0.058 57.959 58.000 0.029 0.000 1.397 116 F CB -0.275 38.759 39.000 0.056 0.000 1.129 116 F HN 0.015 nan 8.300 nan 0.000 0.620 117 c N 0.398 119.137 118.600 0.233 0.000 2.485 117 c HA 0.317 4.943 4.570 0.094 0.000 0.277 117 c C 2.026 176.152 174.090 0.061 0.000 1.376 117 c CA 0.180 56.582 56.329 0.121 0.000 1.759 117 c CB -1.552 41.026 42.510 0.112 0.000 1.970 117 c HN 0.431 nan 8.230 nan 0.000 0.509 118 G N -0.128 108.699 108.800 0.044 0.000 2.516 118 G HA2 0.430 4.446 3.960 0.094 0.000 0.276 118 G HA3 0.430 4.446 3.960 0.094 0.000 0.276 118 G C 0.308 175.192 174.900 -0.026 0.000 1.390 118 G CA 0.258 45.364 45.100 0.011 0.000 1.050 118 G HN 0.567 nan 8.290 nan 0.000 0.519 119 G N -1.571 107.210 108.800 -0.032 0.000 2.337 119 G HA2 0.430 4.446 3.960 0.094 0.000 0.265 119 G HA3 0.430 4.446 3.960 0.094 0.000 0.265 119 G C 1.302 176.132 174.900 -0.116 0.000 0.745 119 G CA 0.896 45.962 45.100 -0.056 0.000 1.005 119 G HN 2.083 nan 8.290 nan 0.000 0.323 120 G N 0.968 109.689 108.800 -0.132 0.000 2.254 120 G HA2 -0.249 3.768 3.960 0.094 0.000 0.225 120 G HA3 -0.249 3.768 3.960 0.094 0.000 0.225 120 G C 1.227 176.008 174.900 -0.199 0.000 1.003 120 G CA 0.484 45.453 45.100 -0.218 0.000 0.622 120 G HN 1.851 nan 8.290 nan 0.000 0.507 121 c N 1.696 120.218 118.600 -0.130 0.000 2.378 121 c HA 0.318 4.945 4.570 0.094 0.000 0.395 121 c C 2.067 176.113 174.090 -0.074 0.000 1.476 121 c CA 1.534 57.819 56.329 -0.073 0.000 1.541 121 c CB 0.094 42.597 42.510 -0.011 0.000 2.524 121 c HN 0.652 nan 8.230 nan 0.000 0.595 122 Q N 2.239 121.997 119.800 -0.069 0.000 2.324 122 Q HA 0.144 4.541 4.340 0.094 0.000 0.207 122 Q C 0.793 176.761 176.000 -0.055 0.000 0.928 122 Q CA 1.098 56.858 55.803 -0.071 0.000 0.890 122 Q CB 0.309 28.998 28.738 -0.081 0.000 1.001 122 Q HN 0.965 nan 8.270 nan 0.000 0.517 123 S N -2.152 113.524 115.700 -0.041 0.000 2.611 123 S HA 0.670 5.197 4.470 0.094 0.000 0.268 123 S C -0.033 174.554 174.600 -0.022 0.000 1.156 123 S CA -0.338 57.826 58.200 -0.061 0.000 0.817 123 S CB 1.600 64.746 63.200 -0.091 0.000 1.122 123 S HN 0.502 nan 8.310 nan 0.000 0.466 124 G N 0.881 109.655 108.800 -0.043 0.000 2.584 124 G HA2 0.319 4.335 3.960 0.094 0.000 0.229 124 G HA3 0.319 4.335 3.960 0.094 0.000 0.229 124 G C 0.503 175.523 174.900 0.200 0.000 1.320 124 G CA -0.102 45.043 45.100 0.075 0.000 0.891 124 G HN 2.174 nan 8.290 nan 0.000 0.573 125 A N -0.506 122.413 122.820 0.165 0.000 2.358 125 A HA 0.412 4.788 4.320 0.094 0.000 0.232 125 A C 1.372 179.002 177.584 0.075 0.000 1.498 125 A CA 1.166 53.267 52.037 0.107 0.000 1.400 125 A CB -1.540 17.492 19.000 0.053 0.000 0.852 125 A HN 1.554 nan 8.150 nan 0.000 0.605 126 c N 0.269 118.922 118.600 0.088 0.000 2.702 126 c HA 0.221 4.848 4.570 0.094 0.000 0.411 126 c C 1.960 176.075 174.090 0.041 0.000 1.286 126 c CA 0.600 56.964 56.329 0.058 0.000 1.979 126 c CB 0.340 42.878 42.510 0.046 0.000 2.728 126 c HN 0.813 nan 8.230 nan 0.000 0.652 127 S N -0.895 114.824 115.700 0.033 0.000 2.578 127 S HA -0.013 4.513 4.470 0.094 0.000 0.231 127 S C 1.157 175.768 174.600 0.020 0.000 0.994 127 S CA 0.365 58.579 58.200 0.024 0.000 0.956 127 S CB -0.393 62.824 63.200 0.028 0.000 0.870 127 S HN 0.939 nan 8.310 nan 0.000 0.494 128 T N -1.305 113.260 114.554 0.018 0.000 3.023 128 T HA 0.020 4.427 4.350 0.094 0.000 0.266 128 T C 0.681 175.391 174.700 0.016 0.000 1.093 128 T CA 0.820 62.927 62.100 0.012 0.000 1.129 128 T CB -0.705 68.164 68.868 0.002 0.000 0.899 128 T HN 0.273 nan 8.240 nan 0.000 0.491 129 D N 0.908 121.321 120.400 0.022 0.000 2.837 129 D HA -0.139 4.558 4.640 0.094 0.000 0.230 129 D C -0.423 175.894 176.300 0.028 0.000 1.152 129 D CA 0.559 54.575 54.000 0.028 0.000 0.736 129 D CB -1.587 39.231 40.800 0.030 0.000 1.084 129 D HN 0.608 nan 8.370 nan 0.000 0.429 130 K N 1.027 121.441 120.400 0.023 0.000 2.489 130 K HA 0.130 4.507 4.320 0.094 0.000 0.278 130 K C -1.948 174.668 176.600 0.028 0.000 1.000 130 K CA -0.704 55.594 56.287 0.018 0.000 1.012 130 K CB 0.486 32.991 32.500 0.008 0.000 0.903 130 K HN 0.180 nan 8.250 nan 0.000 0.485 131 P HA 0.014 nan 4.420 nan 0.000 0.271 131 P C -0.331 176.986 177.300 0.029 0.000 1.218 131 P CA -0.481 62.637 63.100 0.031 0.000 0.780 131 P CB 0.545 32.259 31.700 0.023 0.000 0.901 132 c N -0.577 118.046 118.600 0.038 0.000 3.157 132 c HA 0.975 5.602 4.570 0.094 0.000 0.368 132 c C 0.901 175.010 174.090 0.031 0.000 1.623 132 c CA 0.308 56.657 56.329 0.034 0.000 1.530 132 c CB 0.662 43.198 42.510 0.044 0.000 2.152 132 c HN 0.930 nan 8.230 nan 0.000 0.456 133 G N -0.305 108.512 108.800 0.029 0.000 2.593 133 G HA2 0.240 4.256 3.960 0.094 0.000 0.237 133 G HA3 0.240 4.256 3.960 0.094 0.000 0.237 133 G C 0.621 175.531 174.900 0.017 0.000 1.312 133 G CA 1.168 46.282 45.100 0.024 0.000 0.896 133 G HN 1.993 nan 8.290 nan 0.000 0.574 134 K N -1.016 119.393 120.400 0.015 0.000 2.211 134 K HA 0.019 4.395 4.320 0.094 0.000 0.203 134 K C 2.078 178.684 176.600 0.010 0.000 1.050 134 K CA 2.286 58.579 56.287 0.010 0.000 0.945 134 K CB -0.538 31.967 32.500 0.009 0.000 0.732 134 K HN 0.597 nan 8.250 nan 0.000 0.451 135 D N -0.336 120.071 120.400 0.012 0.000 2.312 135 D HA 0.098 4.795 4.640 0.094 0.000 0.211 135 D C 0.187 176.494 176.300 0.011 0.000 0.964 135 D CA 1.221 55.228 54.000 0.012 0.000 0.877 135 D CB 0.341 41.150 40.800 0.015 0.000 0.924 135 D HN 0.481 nan 8.370 nan 0.000 0.515 136 A N -0.802 122.025 122.820 0.012 0.000 2.984 136 A HA 0.538 4.914 4.320 0.094 0.000 0.320 136 A C 1.117 178.705 177.584 0.007 0.000 1.142 136 A CA -0.017 52.026 52.037 0.010 0.000 0.772 136 A CB 0.390 19.398 19.000 0.013 0.000 1.195 136 A HN 0.030 nan 8.150 nan 0.000 0.459 137 G N 0.586 109.389 108.800 0.005 0.000 2.243 137 G HA2 0.037 4.054 3.960 0.094 0.000 0.276 137 G HA3 0.037 4.054 3.960 0.094 0.000 0.276 137 G C 1.674 176.576 174.900 0.003 0.000 0.997 137 G CA 1.418 46.520 45.100 0.003 0.000 0.693 137 G HN 2.633 nan 8.290 nan 0.000 0.529 138 G N -1.161 107.642 108.800 0.006 0.000 2.246 138 G HA2 -0.033 3.984 3.960 0.094 0.000 0.273 138 G HA3 -0.033 3.984 3.960 0.094 0.000 0.273 138 G C 0.280 175.183 174.900 0.005 0.000 1.055 138 G CA 1.105 46.209 45.100 0.006 0.000 0.851 138 G HN 1.960 nan 8.290 nan 0.000 0.500 139 R N -0.784 119.719 120.500 0.006 0.000 2.531 139 R HA 0.751 5.148 4.340 0.094 0.000 0.273 139 R C 0.579 176.883 176.300 0.007 0.000 1.070 139 R CA -0.122 55.979 56.100 0.003 0.000 1.112 139 R CB 1.462 31.762 30.300 0.001 0.000 1.049 139 R HN 1.095 nan 8.270 nan 0.000 0.508 140 V N 0.814 120.729 119.914 0.001 0.000 2.975 140 V HA 0.569 4.746 4.120 0.094 0.000 0.318 140 V C -0.203 175.890 176.094 -0.002 0.000 1.077 140 V CA -1.026 61.275 62.300 0.003 0.000 1.000 140 V CB 1.433 33.253 31.823 -0.004 0.000 1.066 140 V HN 0.983 nan 8.190 nan 0.000 0.452 141 c N 2.667 121.271 118.600 0.007 0.000 2.520 141 c HA 0.653 5.280 4.570 0.094 0.000 0.376 141 c C 1.262 175.304 174.090 -0.081 0.000 1.268 141 c CA 0.375 56.706 56.329 0.003 0.000 2.414 141 c CB 0.433 42.992 42.510 0.080 0.000 2.521 141 c HN 1.192 nan 8.230 nan 0.000 0.618 142 T N -0.931 113.526 114.554 -0.163 0.000 2.849 142 T HA 0.308 4.715 4.350 0.094 0.000 0.276 142 T C 0.377 174.766 174.700 -0.518 0.000 0.971 142 T CA -0.288 61.658 62.100 -0.256 0.000 0.949 142 T CB 0.084 68.820 68.868 -0.220 0.000 1.093 142 T HN 0.758 nan 8.240 nan 0.000 0.545 143 N N 0.211 118.624 118.700 -0.479 0.000 2.650 143 N HA -0.250 4.546 4.740 0.094 0.000 0.249 143 N C 0.229 175.524 175.510 -0.358 0.000 1.155 143 N CA 1.002 53.728 53.050 -0.540 0.000 0.747 143 N CB -1.744 36.105 38.487 -1.064 0.000 1.132 143 N HN 0.842 nan 8.380 nan 0.000 0.564 144 N N -2.296 116.270 118.700 -0.223 0.000 2.747 144 N HA -0.214 4.582 4.740 0.094 0.000 0.249 144 N C -1.145 174.395 175.510 0.051 0.000 1.107 144 N CA 0.717 53.729 53.050 -0.063 0.000 0.707 144 N CB -1.081 37.389 38.487 -0.030 0.000 1.054 144 N HN 0.449 nan 8.380 nan 0.000 0.555 145 Y N -0.323 119.958 120.300 -0.033 0.000 2.457 145 Y HA 0.136 4.740 4.550 0.090 0.000 0.341 145 Y C 1.447 177.331 175.900 -0.026 0.000 1.240 145 Y CA -1.153 56.915 58.100 -0.053 0.000 1.437 145 Y CB 0.392 38.797 38.460 -0.092 0.000 1.328 145 Y HN 0.111 nan 8.280 nan 0.000 0.588 146 c N 2.375 121.068 118.600 0.154 0.000 2.576 146 c HA 0.193 4.820 4.570 0.094 0.000 0.401 146 c C 0.734 174.912 174.090 0.145 0.000 1.314 146 c CA -1.204 55.202 56.329 0.127 0.000 1.855 146 c CB -0.629 41.967 42.510 0.144 0.000 2.537 146 c HN 0.881 nan 8.230 nan 0.000 0.578 147 c N 5.974 124.648 118.600 0.123 0.000 2.256 147 c HA 0.491 5.118 4.570 0.094 0.000 0.333 147 c C 1.093 175.258 174.090 0.124 0.000 1.183 147 c CA -0.213 56.187 56.329 0.119 0.000 1.692 147 c CB -1.615 40.941 42.510 0.077 0.000 2.274 147 c HN 1.070 nan 8.230 nan 0.000 0.509 148 S N 4.857 120.659 115.700 0.170 0.000 2.617 148 S HA 0.397 4.924 4.470 0.094 0.000 0.259 148 S C 1.429 176.057 174.600 0.047 0.000 1.301 148 S CA 0.337 58.599 58.200 0.102 0.000 0.984 148 S CB 0.906 64.143 63.200 0.062 0.000 0.954 148 S HN 1.044 nan 8.310 nan 0.000 0.572 149 K N -0.345 120.059 120.400 0.007 0.000 2.103 149 K HA -0.050 4.326 4.320 0.094 0.000 0.207 149 K C 2.521 179.122 176.600 0.002 0.000 1.048 149 K CA 2.248 58.535 56.287 -0.000 0.000 0.930 149 K CB -2.088 30.402 32.500 -0.017 0.000 0.716 149 K HN 1.273 nan 8.250 nan 0.000 0.444 150 W N 0.021 121.318 121.300 -0.005 0.000 2.937 150 W HA 0.426 5.142 4.660 0.094 0.000 0.245 150 W C 1.701 178.234 176.519 0.023 0.000 1.306 150 W CA 0.337 57.682 57.345 0.001 0.000 1.470 150 W CB -0.836 28.616 29.460 -0.015 0.000 1.132 150 W HN 1.222 nan 8.180 nan 0.000 0.675 151 G N 0.507 109.332 108.800 0.040 0.000 2.452 151 G HA2 0.136 4.152 3.960 0.094 0.000 0.275 151 G HA3 0.136 4.152 3.960 0.094 0.000 0.275 151 G C -0.297 174.650 174.900 0.078 0.000 1.131 151 G CA 0.224 45.356 45.100 0.053 0.000 1.031 151 G HN 1.016 nan 8.290 nan 0.000 0.511 152 S N -1.301 114.476 115.700 0.127 0.000 2.549 152 S HA 0.689 5.216 4.470 0.094 0.000 0.280 152 S C 0.119 174.850 174.600 0.218 0.000 1.109 152 S CA -0.480 57.830 58.200 0.184 0.000 0.905 152 S CB 2.019 65.364 63.200 0.241 0.000 1.081 152 S HN 0.744 nan 8.310 nan 0.000 0.477 153 c N 2.246 120.903 118.600 0.096 0.000 2.330 153 c HA 0.968 5.595 4.570 0.094 0.000 0.344 153 c C 0.975 174.819 174.090 -0.409 0.000 1.273 153 c CA -0.255 56.067 56.329 -0.012 0.000 1.879 153 c CB -0.128 42.439 42.510 0.095 0.000 2.376 153 c HN 1.060 nan 8.230 nan 0.000 0.534 154 G N 2.015 110.367 108.800 -0.747 0.000 2.495 154 G HA2 0.634 4.651 3.960 0.094 0.000 0.294 154 G HA3 0.634 4.651 3.960 0.094 0.000 0.294 154 G C -1.904 172.496 174.900 -0.833 0.000 1.397 154 G CA -0.495 43.706 45.100 -1.498 0.000 0.790 154 G HN 0.612 nan 8.290 nan 0.000 0.486 155 I N 0.506 120.691 120.570 -0.642 0.000 2.499 155 I HA 0.730 4.957 4.170 0.094 0.000 0.288 155 I C 0.386 176.506 176.117 0.006 0.000 1.048 155 I CA -0.181 60.994 61.300 -0.209 0.000 1.062 155 I CB 2.025 39.911 38.000 -0.191 0.000 1.238 155 I HN 1.301 nan 8.210 nan 0.000 0.426 156 G N 6.297 115.172 108.800 0.124 0.000 2.359 156 G HA2 0.064 4.080 3.960 0.094 0.000 0.314 156 G HA3 0.064 4.080 3.960 0.094 0.000 0.314 156 G C -2.857 172.124 174.900 0.134 0.000 1.364 156 G CA -0.663 44.527 45.100 0.150 0.000 0.978 156 G HN 0.318 nan 8.290 nan 0.000 0.615 157 P HA -0.086 nan 4.420 nan 0.000 0.215 157 P C 2.018 179.314 177.300 -0.006 0.000 1.157 157 P CA 2.254 65.369 63.100 0.026 0.000 0.868 157 P CB -0.207 31.499 31.700 0.010 0.000 0.788 158 G N -1.375 107.390 108.800 -0.058 0.000 2.422 158 G HA2 -0.245 3.771 3.960 0.094 0.000 0.218 158 G HA3 -0.245 3.771 3.960 0.094 0.000 0.218 158 G C 1.353 176.095 174.900 -0.264 0.000 1.146 158 G CA 0.626 45.603 45.100 -0.206 0.000 0.769 158 G HN 0.253 nan 8.290 nan 0.000 0.547 159 Y N -0.357 119.936 120.300 -0.013 0.000 2.230 159 Y HA 0.057 4.665 4.550 0.096 0.000 0.294 159 Y C 2.961 178.862 175.900 0.002 0.000 1.120 159 Y CA 0.694 58.789 58.100 -0.008 0.000 1.129 159 Y CB -0.388 38.060 38.460 -0.019 0.000 1.040 159 Y HN 0.154 nan 8.280 nan 0.000 0.519 160 c N 0.258 118.961 118.600 0.172 0.000 2.522 160 c HA 0.198 4.825 4.570 0.094 0.000 0.271 160 c C 1.953 176.077 174.090 0.057 0.000 1.425 160 c CA 0.361 56.751 56.329 0.102 0.000 1.751 160 c CB -1.769 40.796 42.510 0.091 0.000 1.775 160 c HN 0.600 nan 8.230 nan 0.000 0.557 161 G N -0.019 108.804 108.800 0.038 0.000 2.975 161 G HA2 0.464 4.481 3.960 0.094 0.000 0.159 161 G HA3 0.464 4.481 3.960 0.094 0.000 0.159 161 G C 0.132 175.038 174.900 0.009 0.000 1.525 161 G CA 0.353 45.462 45.100 0.016 0.000 1.075 161 G HN 0.481 nan 8.290 nan 0.000 0.574 162 A N -0.861 121.958 122.820 -0.003 0.000 2.507 162 A HA 0.476 4.853 4.320 0.094 0.000 0.281 162 A C 1.352 178.930 177.584 -0.009 0.000 1.154 162 A CA 1.349 53.382 52.037 -0.006 0.000 0.828 162 A CB -1.186 17.806 19.000 -0.013 0.000 1.069 162 A HN 2.331 nan 8.150 nan 0.000 0.522 163 G N 0.754 109.554 108.800 -0.000 0.000 2.296 163 G HA2 -0.189 3.827 3.960 0.094 0.000 0.188 163 G HA3 -0.189 3.827 3.960 0.094 0.000 0.188 163 G C 0.611 175.519 174.900 0.013 0.000 1.000 163 G CA -0.027 45.074 45.100 0.001 0.000 0.672 163 G HN 1.560 nan 8.290 nan 0.000 0.483 164 c N 2.519 121.132 118.600 0.022 0.000 2.601 164 c HA 0.408 5.034 4.570 0.094 0.000 0.405 164 c C 2.103 176.213 174.090 0.033 0.000 1.441 164 c CA 1.078 57.431 56.329 0.040 0.000 1.555 164 c CB -0.317 42.223 42.510 0.049 0.000 2.450 164 c HN 0.620 nan 8.230 nan 0.000 0.614 165 Q N 3.375 123.198 119.800 0.037 0.000 2.163 165 Q HA 0.095 4.492 4.340 0.094 0.000 0.198 165 Q C 0.842 176.859 176.000 0.028 0.000 0.954 165 Q CA 1.125 56.945 55.803 0.029 0.000 0.851 165 Q CB 0.049 28.805 28.738 0.030 0.000 0.928 165 Q HN 0.933 nan 8.270 nan 0.000 0.459 166 S N -2.085 113.637 115.700 0.037 0.000 2.615 166 S HA 0.701 5.227 4.470 0.094 0.000 0.268 166 S C -0.252 174.375 174.600 0.045 0.000 1.146 166 S CA -0.474 57.746 58.200 0.032 0.000 0.818 166 S CB 1.639 64.854 63.200 0.025 0.000 1.111 166 S HN 0.493 nan 8.310 nan 0.000 0.465 167 G N -0.297 108.526 108.800 0.038 0.000 2.409 167 G HA2 0.393 4.409 3.960 0.094 0.000 0.421 167 G HA3 0.393 4.409 3.960 0.094 0.000 0.421 167 G C 0.182 175.110 174.900 0.046 0.000 1.259 167 G CA -0.081 45.050 45.100 0.051 0.000 1.011 167 G HN 1.956 nan 8.290 nan 0.000 0.497 168 G N -0.449 108.386 108.800 0.059 0.000 3.541 168 G HA2 0.433 4.449 3.960 0.094 0.000 0.253 168 G HA3 0.433 4.449 3.960 0.094 0.000 0.253 168 G C 0.738 175.668 174.900 0.050 0.000 1.017 168 G CA 0.636 45.765 45.100 0.049 0.000 1.832 168 G HN 1.112 nan 8.290 nan 0.000 0.649 169 c N 1.353 119.981 118.600 0.046 0.000 2.538 169 c HA -0.002 4.624 4.570 0.094 0.000 0.408 169 c C 0.842 174.952 174.090 0.034 0.000 1.421 169 c CA -0.791 55.564 56.329 0.044 0.000 1.642 169 c CB -0.217 42.314 42.510 0.035 0.000 2.553 169 c HN 0.547 nan 8.230 nan 0.000 0.604 170 D N 1.592 122.013 120.400 0.034 0.000 2.472 170 D HA 0.362 5.059 4.640 0.094 0.000 0.237 170 D C 0.482 176.793 176.300 0.019 0.000 1.141 170 D CA 0.949 54.964 54.000 0.026 0.000 0.875 170 D CB 1.014 41.829 40.800 0.024 0.000 1.192 170 D HN 0.801 nan 8.370 nan 0.000 0.450 171 G N 0.000 108.809 108.800 0.015 0.000 5.446 171 G HA2 0.000 4.017 3.960 0.094 0.000 0.244 171 G HA3 0.000 4.017 3.960 0.094 0.000 0.244 171 G CA 0.000 45.107 45.100 0.012 0.000 0.502 171 G HN 0.000 nan 8.290 nan 0.000 0.925