Getting the Right Output Means no Artefacts in Calculating Stuff 48 1LYS BB 1 -1.107 -0.485 -1.113 0.0000 0.0000 0.0000 1LYS SC1 2 -1.286 -0.314 -1.309 0.0000 0.0000 0.0000 1LYS SC2 3 -1.191 -0.033 -1.240 0.0000 0.0000 0.0000 1LYS SCD 4 -1.195 -0.041 -1.234 0.0000 0.0000 0.0000 2MET BB 5 -1.084 -0.689 -0.869 0.0000 0.0000 0.0000 2MET SC1 6 -1.325 -1.006 -0.980 0.0000 0.0000 0.0000 3LYS BB 7 -0.793 -0.624 -0.773 0.0000 0.0000 0.0000 3LYS SC1 8 -0.662 -0.850 -0.942 0.0000 0.0000 0.0000 3LYS SC2 9 -0.806 -1.102 -0.831 0.0000 0.0000 0.0000 3LYS SCD 10 -0.808 -1.093 -0.836 0.0000 0.0000 0.0000 4ALA BB 11 -0.845 -0.311 -0.733 0.0000 0.0000 0.0000 5VAL BB 12 -1.045 -0.393 -0.488 0.0000 0.0000 0.0000 5VAL SC1 13 -1.290 -0.421 -0.577 0.0000 0.0000 0.0000 6MET BB 14 -0.847 -0.561 -0.308 0.0000 0.0000 0.0000 6MET SC1 15 -0.880 -0.946 -0.457 0.0000 0.0000 0.0000 7ILE BB 16 -0.641 -0.339 -0.236 0.0000 0.0000 0.0000 7ILE SC1 17 -0.418 -0.356 -0.418 0.0000 0.0000 0.0000 8GLY BB 18 -0.844 -0.157 -0.097 0.0000 0.0000 0.0000 9ALA BB 19 -0.947 -0.379 0.099 0.0000 0.0000 0.0000 10CYS BB 20 -0.646 -0.373 0.239 0.0000 0.0000 0.0000 10CYS SC1 21 -0.434 -0.541 0.179 0.0000 0.0000 0.0000 11PHE BB 22 -0.618 -0.073 0.325 0.0000 0.0000 0.0000 11PHE SC1 23 -0.556 0.068 0.033 0.0000 0.0000 0.0000 11PHE SC2 24 -0.758 0.196 0.005 0.0000 0.0000 0.0000 11PHE SC3 25 -0.667 0.177 -0.199 0.0000 0.0000 0.0000 12LEU BB 26 -0.860 -0.065 0.524 0.0000 0.0000 0.0000 12LEU SC1 27 -1.115 0.003 0.302 0.0000 0.0000 0.0000 13ILE BB 28 -0.750 -0.272 0.724 0.0000 0.0000 0.0000 13ILE SC1 29 -0.862 -0.530 0.665 0.0000 0.0000 0.0000 14ASP0 BB 30 -0.494 -0.106 0.796 0.0000 0.0000 0.0000 14ASP0 SC1 31 -0.269 -0.054 0.669 0.0000 0.0000 0.0000 15PHE BB 32 -0.635 0.147 0.920 0.0000 0.0000 0.0000 15PHE SC1 33 -0.771 0.294 0.663 0.0000 0.0000 0.0000 15PHE SC2 34 -0.997 0.245 0.730 0.0000 0.0000 0.0000 15PHE SC3 35 -1.008 0.308 0.517 0.0000 0.0000 0.0000 16MET BB 36 -0.781 0.003 1.163 0.0000 0.0000 0.0000 16MET SC1 37 -1.129 -0.142 0.989 0.0000 0.0000 0.0000 17PHE BB 38 -0.531 -0.102 1.326 0.0000 0.0000 0.0000 17PHE SC1 39 -0.429 -0.343 1.129 0.0000 0.0000 0.0000 17PHE SC2 40 -0.230 -0.234 1.049 0.0000 0.0000 0.0000 17PHE SC3 41 -0.272 -0.401 0.906 0.0000 0.0000 0.0000 18PHE BB 42 -0.406 0.177 1.393 0.0000 0.0000 0.0000 18PHE SC1 43 -0.292 0.272 1.101 0.0000 0.0000 0.0000 18PHE SC2 44 -0.448 0.454 1.069 0.0000 0.0000 0.0000 18PHE SC3 45 -0.358 0.411 0.869 0.0000 0.0000 0.0000 19GLU BB 46 -0.647 0.230 1.535 0.0000 0.0000 0.0000 19GLU SC1 47 -0.975 0.337 1.326 0.0000 0.0000 0.0000 19GLU SCD 48 -0.977 0.347 1.330 0.0000 0.0000 0.0000 0.00000 0.00000 0.00000