Getting the Right Output Means no Artefacts in Calculating Stuff 49 1LYS BB 1 8.452 5.331 6.585 1LYS SC1 2 8.742 5.234 6.511 1LYS SC2 3 8.705 5.163 6.217 1LYS SCD 4 8.699 5.157 6.225 2MET BB 5 8.186 5.297 6.758 2MET SC1 6 8.320 5.293 7.149 3LYS BB 7 7.982 5.443 6.570 3LYS SC1 8 8.011 5.717 6.714 3LYS SC2 9 7.925 5.645 7.004 3LYS SCD 10 7.917 5.642 7.011 4ALA BB 11 8.046 5.263 6.313 5VAL BB 12 7.913 5.013 6.477 5VAL SC1 13 8.098 4.885 6.610 6MET BB 14 7.627 5.132 6.538 6MET SC1 15 7.679 5.332 6.897 7ILE BB 16 7.520 5.167 6.248 7ILE SC1 17 7.565 5.438 6.164 8GLY BB 18 7.541 4.870 6.176 9ALA BB 19 7.371 4.772 6.421 10CYS BB 20 7.111 4.926 6.282 10CYS SC1 21 7.022 5.182 6.338 11PHE BB 22 7.096 4.787 6.001 11PHE SC1 23 7.347 4.935 5.847 11PHE SC2 24 7.496 4.748 5.822 11PHE SC3 25 7.622 4.931 5.798 12LEU BB 26 7.043 4.495 6.102 12LEU SC1 27 7.368 4.392 6.155 13ILE BB 28 6.773 4.552 6.239 13ILE SC1 29 6.815 4.595 6.520 14ASP BB 30 6.629 4.645 5.977 14ASP SC1 31 6.638 4.875 5.806 14ASP SCD 32 6.632 4.867 5.800 15PHE BB 33 6.649 4.377 5.813 15PHE SC1 34 6.967 4.353 5.741 15PHE SC2 35 7.005 4.164 5.886 15PHE SC3 36 7.206 4.245 5.835 16MET BB 37 6.479 4.192 6.008 16MET SC1 38 6.757 4.075 6.292 17PHE BB 39 6.197 4.336 5.991 17PHE SC1 40 6.260 4.608 6.161 17PHE SC2 41 6.259 4.761 5.974 17PHE SC3 42 6.361 4.868 6.142 18PHE BB 43 6.146 4.290 5.685 18PHE SC1 44 6.362 4.494 5.549 18PHE SC2 45 6.506 4.324 5.455 18PHE SC3 46 6.624 4.514 5.453 19GLU BB 47 6.152 4.011 5.745 19GLU SC1 48 6.510 3.832 5.795 19GLU SCD 49 6.503 3.836 5.788 9.00000 9.00000 9.00000