Getting the Right Output Means no Artefacts in Calculating Stuff 48 1LYS BB 1 -0.331 0.220 1.416 0.0000 0.0000 0.0000 1LYS SC1 2 -0.385 0.496 1.557 0.0000 0.0000 0.0000 1LYS SC2 3 -0.677 0.542 1.482 0.0000 0.0000 0.0000 1LYS SCD 4 -0.668 0.540 1.476 0.0000 0.0000 0.0000 2MET BB 5 -0.171 0.047 1.201 0.0000 0.0000 0.0000 2MET SC1 6 0.227 0.116 1.292 0.0000 0.0000 0.0000 3LYS BB 7 -0.375 -0.187 1.158 0.0000 0.0000 0.0000 3LYS SC1 8 -0.243 -0.372 1.369 0.0000 0.0000 0.0000 3LYS SC2 9 0.045 -0.400 1.256 0.0000 0.0000 0.0000 3LYS SCD 10 0.038 -0.392 1.259 0.0000 0.0000 0.0000 4ALA BB 11 -0.620 0.005 1.079 0.0000 0.0000 0.0000 5VAL BB 12 -0.452 0.079 0.809 0.0000 0.0000 0.0000 5VAL SC1 13 -0.304 0.291 0.851 0.0000 0.0000 0.0000 6MET BB 14 -0.411 -0.209 0.687 0.0000 0.0000 0.0000 6MET SC1 15 -0.059 -0.340 0.862 0.0000 0.0000 0.0000 7ILE BB 16 -0.708 -0.288 0.636 0.0000 0.0000 0.0000 7ILE SC1 17 -0.802 -0.445 0.858 0.0000 0.0000 0.0000 8GLY BB 18 -0.765 -0.056 0.444 0.0000 0.0000 0.0000 9ALA BB 19 -0.525 -0.122 0.253 0.0000 0.0000 0.0000 10CYS BB 20 -0.685 -0.402 0.175 0.0000 0.0000 0.0000 10CYS SC1 21 -0.645 -0.651 0.289 0.0000 0.0000 0.0000 11PHE BB 22 -0.959 -0.294 0.068 0.0000 0.0000 0.0000 11PHE SC1 23 -1.107 -0.215 0.352 0.0000 0.0000 0.0000 11PHE SC2 24 -1.115 0.025 0.329 0.0000 0.0000 0.0000 11PHE SC3 25 -1.141 -0.018 0.547 0.0000 0.0000 0.0000 12LEU BB 26 -0.848 -0.130 -0.174 0.0000 0.0000 0.0000 12LEU SC1 27 -0.774 0.166 -0.013 0.0000 0.0000 0.0000 13ILE BB 28 -0.728 -0.368 -0.329 0.0000 0.0000 0.0000 13ILE SC1 29 -0.447 -0.388 -0.269 0.0000 0.0000 0.0000 14ASP0 BB 30 -1.001 -0.516 -0.365 0.0000 0.0000 0.0000 14ASP0 SC1 31 -1.158 -0.653 -0.202 0.0000 0.0000 0.0000 15PHE BB 32 -1.151 -0.299 -0.537 0.0000 0.0000 0.0000 15PHE SC1 33 -1.205 -0.056 -0.325 0.0000 0.0000 0.0000 15PHE SC2 34 -1.050 0.095 -0.431 0.0000 0.0000 0.0000 15PHE SC3 35 -1.094 0.182 -0.230 0.0000 0.0000 0.0000 16MET BB 36 -0.957 -0.299 -0.789 0.0000 0.0000 0.0000 16MET SC1 37 -0.654 -0.041 -0.673 0.0000 0.0000 0.0000 17PHE BB 38 -0.995 -0.596 -0.890 0.0000 0.0000 0.0000 17PHE SC1 39 -0.835 -0.759 -0.656 0.0000 0.0000 0.0000 17PHE SC2 40 -1.028 -0.856 -0.549 0.0000 0.0000 0.0000 17PHE SC3 41 -0.860 -0.873 -0.403 0.0000 0.0000 0.0000 18PHE BB 42 -1.301 -0.577 -0.957 0.0000 0.0000 0.0000 18PHE SC1 43 -1.435 -0.564 -0.659 0.0000 0.0000 0.0000 18PHE SC2 44 -1.513 -0.336 -0.675 0.0000 0.0000 0.0000 18PHE SC3 45 -1.518 -0.389 -0.458 0.0000 0.0000 0.0000 19GLU BB 46 -1.228 -0.378 -1.148 0.0000 0.0000 0.0000 19GLU SC1 47 -1.151 -0.005 -1.017 0.0000 0.0000 0.0000 19GLU SCD 48 -1.158 0.001 -1.022 0.0000 0.0000 0.0000 0.00000 0.00000 0.00000