Getting the Right Output Means no Artefacts in Calculating Stuff 48 1LYS BB 1 7.758 3.841 4.014 1LYS SC1 2 8.021 3.672 3.973 1LYS SC2 3 8.207 3.885 3.858 1LYS SCD 4 8.197 3.881 3.855 2MET BB 5 7.450 3.892 3.947 2MET SC1 6 7.269 3.528 4.023 3LYS BB 7 7.430 4.196 4.021 3LYS SC1 8 7.333 4.143 4.311 3LYS SC2 9 7.072 3.982 4.260 3LYS SCD 10 7.082 3.981 4.258 4ALA BB 11 7.668 4.288 3.827 5VAL BB 12 7.474 4.203 3.577 5VAL SC1 13 7.518 3.954 3.510 6MET BB 14 7.222 4.382 3.640 6MET SC1 15 6.992 4.146 3.891 7ILE BB 16 7.349 4.664 3.612 7ILE SC1 17 7.424 4.759 3.874 8GLY BB 18 7.433 4.629 3.320 9ALA BB 19 7.146 4.549 3.221 10CYS BB 20 7.052 4.859 3.295 10CYS SC1 21 6.934 4.942 3.532 11PHE BB 22 7.248 5.031 3.122 11PHE SC1 23 7.525 5.005 3.298 11PHE SC2 24 7.659 4.875 3.146 11PHE SC3 25 7.753 4.852 3.348 12LEU BB 26 7.157 4.926 2.841 12LEU SC1 27 7.355 4.645 2.818 13ILE BB 28 6.866 5.027 2.856 13ILE SC1 29 6.695 4.813 2.943 14ASP0 BB 30 6.944 5.329 2.881 14ASP0 SC1 31 7.045 5.476 3.076 15PHE BB 32 7.091 5.364 2.604 15PHE SC1 33 7.367 5.194 2.640 15PHE SC2 34 7.303 5.021 2.484 15PHE SC3 35 7.476 4.941 2.599 16MET BB 36 6.844 5.299 2.414 16MET SC1 37 6.847 4.884 2.397 17PHE BB 38 6.649 5.536 2.491 17PHE SC1 39 6.557 5.442 2.790 17PHE SC2 40 6.679 5.609 2.913 17PHE SC3 41 6.625 5.449 3.061 18PHE BB 42 6.832 5.772 2.395 18PHE SC1 43 7.068 5.770 2.622 18PHE SC2 44 7.246 5.697 2.476 18PHE SC3 45 7.319 5.665 2.685 19GLU BB 46 6.811 5.658 2.135 19GLU SC1 47 7.038 5.338 2.045 19GLU SCD 48 7.044 5.342 2.036 9.00000 9.00000 9.00000