Getting the Right Output Means no Artefacts in Calculating Stuff 48 1LYS BB 1 -0.751 1.166 0.298 0.0000 0.0000 0.0000 1LYS SC1 2 -0.624 1.375 0.099 0.0000 0.0000 0.0000 1LYS SC2 3 -0.698 1.251 -0.169 0.0000 0.0000 0.0000 1LYS SCD 4 -0.693 1.247 -0.160 0.0000 0.0000 0.0000 2MET BB 5 -0.716 0.951 0.531 0.0000 0.0000 0.0000 2MET SC1 6 -0.509 1.155 0.825 0.0000 0.0000 0.0000 3LYS BB 7 -0.976 0.782 0.486 0.0000 0.0000 0.0000 3LYS SC1 8 -1.143 0.943 0.693 0.0000 0.0000 0.0000 3LYS SC2 9 -0.978 0.901 0.953 0.0000 0.0000 0.0000 3LYS SCD 10 -0.977 0.905 0.943 0.0000 0.0000 0.0000 4ALA BB 11 -0.914 0.716 0.179 0.0000 0.0000 0.0000 5VAL BB 12 -0.662 0.537 0.286 0.0000 0.0000 0.0000 5VAL SC1 13 -0.445 0.685 0.295 0.0000 0.0000 0.0000 6MET BB 14 -0.812 0.338 0.479 0.0000 0.0000 0.0000 6MET SC1 15 -0.817 0.538 0.842 0.0000 0.0000 0.0000 7ILE BB 16 -0.995 0.192 0.274 0.0000 0.0000 0.0000 7ILE SC1 17 -1.254 0.317 0.274 0.0000 0.0000 0.0000 8GLY BB 18 -0.764 0.083 0.105 0.0000 0.0000 0.0000 9ALA BB 19 -0.618 -0.054 0.347 0.0000 0.0000 0.0000 10CYS BB 20 -0.878 -0.259 0.366 0.0000 0.0000 0.0000 10CYS SC1 21 -1.098 -0.231 0.532 0.0000 0.0000 0.0000 11PHE BB 22 -0.883 -0.387 0.080 0.0000 0.0000 0.0000 11PHE SC1 23 -1.012 -0.138 -0.094 0.0000 0.0000 0.0000 11PHE SC2 24 -0.822 -0.079 -0.230 0.0000 0.0000 0.0000 11PHE SC3 25 -0.959 0.097 -0.234 0.0000 0.0000 0.0000 12LEU BB 26 -0.601 -0.523 0.090 0.0000 0.0000 0.0000 12LEU SC1 27 -0.405 -0.258 -0.012 0.0000 0.0000 0.0000 13ILE BB 28 -0.661 -0.715 0.323 0.0000 0.0000 0.0000 13ILE SC1 29 -0.566 -0.599 0.569 0.0000 0.0000 0.0000 14ASP0 BB 30 -0.891 -0.866 0.174 0.0000 0.0000 0.0000 14ASP0 SC1 31 -1.141 -0.803 0.113 0.0000 0.0000 0.0000 15PHE BB 32 -0.725 -0.984 -0.065 0.0000 0.0000 0.0000 15PHE SC1 33 -0.653 -0.723 -0.247 0.0000 0.0000 0.0000 15PHE SC2 34 -0.418 -0.728 -0.196 0.0000 0.0000 0.0000 15PHE SC3 35 -0.458 -0.528 -0.285 0.0000 0.0000 0.0000 16MET BB 36 -0.525 -1.165 0.104 0.0000 0.0000 0.0000 16MET SC1 37 -0.229 -0.897 0.216 0.0000 0.0000 0.0000 17PHE BB 38 -0.729 -1.368 0.235 0.0000 0.0000 0.0000 17PHE SC1 39 -0.876 -1.172 0.453 0.0000 0.0000 0.0000 17PHE SC2 40 -1.088 -1.155 0.340 0.0000 0.0000 0.0000 17PHE SC3 41 -1.082 -0.987 0.487 0.0000 0.0000 0.0000 18PHE BB 42 -0.835 -1.498 -0.030 0.0000 0.0000 0.0000 18PHE SC1 43 -1.014 -1.256 -0.157 0.0000 0.0000 0.0000 18PHE SC2 44 -0.870 -1.211 -0.346 0.0000 0.0000 0.0000 18PHE SC3 45 -1.005 -1.033 -0.326 0.0000 0.0000 0.0000 19GLU BB 46 -0.566 -1.584 -0.072 0.0000 0.0000 0.0000 19GLU SC1 47 -0.298 -1.319 -0.213 0.0000 0.0000 0.0000 19GLU SCD 48 -0.294 -1.324 -0.222 0.0000 0.0000 0.0000 0.00000 0.00000 0.00000