Getting the Right Output Means no Artefacts in Calculating Stuff 48 1LYS BB 1 -0.679 0.497 1.363 0.0000 0.0000 0.0000 1LYS SC1 2 -0.677 0.383 1.657 0.0000 0.0000 0.0000 1LYS SC2 3 -0.504 0.135 1.620 0.0000 0.0000 0.0000 1LYS SCD 4 -0.513 0.139 1.615 0.0000 0.0000 0.0000 2MET BB 5 -0.840 0.579 1.100 0.0000 0.0000 0.0000 2MET SC1 6 -1.133 0.836 1.238 0.0000 0.0000 0.0000 3LYS BB 7 -0.610 0.560 0.889 0.0000 0.0000 0.0000 3LYS SC1 8 -0.537 0.862 0.908 0.0000 0.0000 0.0000 3LYS SC2 9 -0.806 0.996 0.828 0.0000 0.0000 0.0000 3LYS SCD 10 -0.802 0.989 0.836 0.0000 0.0000 0.0000 4ALA BB 11 -0.532 0.257 0.958 0.0000 0.0000 0.0000 5VAL BB 12 -0.824 0.173 0.837 0.0000 0.0000 0.0000 5VAL SC1 13 -1.003 0.169 1.029 0.0000 0.0000 0.0000 6MET BB 14 -0.802 0.296 0.547 0.0000 0.0000 0.0000 6MET SC1 15 -0.940 0.684 0.594 0.0000 0.0000 0.0000 7ILE BB 16 -0.565 0.129 0.437 0.0000 0.0000 0.0000 7ILE SC1 17 -0.321 0.279 0.470 0.0000 0.0000 0.0000 8GLY BB 18 -0.704 -0.142 0.469 0.0000 0.0000 0.0000 9ALA BB 19 -0.959 -0.058 0.305 0.0000 0.0000 0.0000 10CYS BB 20 -0.762 -0.041 0.038 0.0000 0.0000 0.0000 10CYS SC1 21 -0.639 0.187 -0.061 0.0000 0.0000 0.0000 11PHE BB 22 -0.642 -0.331 0.026 0.0000 0.0000 0.0000 11PHE SC1 23 -0.420 -0.314 0.269 0.0000 0.0000 0.0000 11PHE SC2 24 -0.520 -0.467 0.426 0.0000 0.0000 0.0000 11PHE SC3 25 -0.377 -0.342 0.544 0.0000 0.0000 0.0000 12LEU BB 26 -0.912 -0.485 -0.014 0.0000 0.0000 0.0000 12LEU SC1 27 -1.008 -0.520 0.315 0.0000 0.0000 0.0000 13ILE BB 28 -0.987 -0.359 -0.285 0.0000 0.0000 0.0000 13ILE SC1 29 -1.168 -0.141 -0.242 0.0000 0.0000 0.0000 14ASP0 BB 30 -0.733 -0.466 -0.435 0.0000 0.0000 0.0000 14ASP0 SC1 31 -0.477 -0.398 -0.432 0.0000 0.0000 0.0000 15PHE BB 32 -0.785 -0.775 -0.405 0.0000 0.0000 0.0000 15PHE SC1 33 -0.736 -0.831 -0.087 0.0000 0.0000 0.0000 15PHE SC2 34 -0.968 -0.877 -0.040 0.0000 0.0000 0.0000 15PHE SC3 35 -0.869 -0.845 0.157 0.0000 0.0000 0.0000 16MET BB 36 -1.059 -0.789 -0.566 0.0000 0.0000 0.0000 16MET SC1 37 -1.341 -0.684 -0.280 0.0000 0.0000 0.0000 17PHE BB 38 -0.961 -0.700 -0.853 0.0000 0.0000 0.0000 17PHE SC1 39 -0.908 -0.381 -0.800 0.0000 0.0000 0.0000 17PHE SC2 40 -0.667 -0.389 -0.809 0.0000 0.0000 0.0000 17PHE SC3 41 -0.720 -0.196 -0.710 0.0000 0.0000 0.0000 18PHE BB 42 -0.763 -0.937 -0.905 0.0000 0.0000 0.0000 18PHE SC1 43 -0.519 -0.867 -0.699 0.0000 0.0000 0.0000 18PHE SC2 44 -0.555 -1.053 -0.549 0.0000 0.0000 0.0000 18PHE SC3 45 -0.425 -0.909 -0.439 0.0000 0.0000 0.0000 19GLU BB 46 -0.991 -1.107 -0.887 0.0000 0.0000 0.0000 19GLU SC1 47 -1.134 -1.199 -0.522 0.0000 0.0000 0.0000 19GLU SCD 48 -1.134 -1.210 -0.522 0.0000 0.0000 0.0000 0.00000 0.00000 0.00000