Getting the Right Output Means no Artefacts in Calculating Stuff 48 1LYS BB 1 1.893 6.515 1.887 1LYS SC1 2 1.714 6.686 1.691 1LYS SC2 3 1.809 6.967 1.760 1LYS SCD 4 1.805 6.959 1.766 2MET BB 5 1.916 6.311 2.131 2MET SC1 6 1.675 5.994 2.020 3LYS BB 7 2.207 6.376 2.227 3LYS SC1 8 2.338 6.150 2.058 3LYS SC2 9 2.194 5.898 2.169 3LYS SCD 10 2.192 5.907 2.164 4ALA BB 11 2.155 6.689 2.267 5VAL BB 12 1.955 6.607 2.512 5VAL SC1 13 1.710 6.579 2.423 6MET BB 14 2.153 6.439 2.692 6MET SC1 15 2.120 6.054 2.543 7ILE BB 16 2.359 6.661 2.764 7ILE SC1 17 2.582 6.644 2.582 8GLY BB 18 2.156 6.843 2.903 9ALA BB 19 2.053 6.621 3.099 10CYS BB 20 2.354 6.627 3.239 10CYS SC1 21 2.566 6.459 3.179 11PHE BB 22 2.382 6.927 3.325 11PHE SC1 23 2.444 7.068 3.033 11PHE SC2 24 2.242 7.196 3.005 11PHE SC3 25 2.333 7.177 2.801 12LEU BB 26 2.140 6.935 3.524 12LEU SC1 27 1.885 7.003 3.302 13ILE BB 28 2.250 6.728 3.724 13ILE SC1 29 2.138 6.470 3.665 14ASP0 BB 30 2.506 6.894 3.796 14ASP0 SC1 31 2.731 6.946 3.669 15PHE BB 32 2.365 7.147 3.920 15PHE SC1 33 2.229 7.294 3.663 15PHE SC2 34 2.003 7.245 3.730 15PHE SC3 35 1.992 7.308 3.517 16MET BB 36 2.219 7.003 4.163 16MET SC1 37 1.871 6.858 3.989 17PHE BB 38 2.469 6.898 4.326 17PHE SC1 39 2.571 6.657 4.129 17PHE SC2 40 2.770 6.766 4.049 17PHE SC3 41 2.728 6.599 3.906 18PHE BB 42 2.594 7.177 4.393 18PHE SC1 43 2.708 7.272 4.101 18PHE SC2 44 2.552 7.454 4.069 18PHE SC3 45 2.642 7.411 3.869 19GLU BB 46 2.353 7.230 4.535 19GLU SC1 47 2.025 7.337 4.326 19GLU SCD 48 2.023 7.347 4.330 9.00000 9.00000 9.00000