Getting the Right Output Means no Artefacts in Calculating Stuff 48 1LYS BB 1 -0.691 0.455 -1.016 0.0000 0.0000 0.0000 1LYS SC1 2 -0.466 0.431 -1.236 0.0000 0.0000 0.0000 1LYS SC2 3 -0.411 0.132 -1.228 0.0000 0.0000 0.0000 1LYS SCD 4 -0.411 0.140 -1.221 0.0000 0.0000 0.0000 2MET BB 5 -0.792 0.571 -0.737 0.0000 0.0000 0.0000 2MET SC1 6 -0.738 0.980 -0.773 0.0000 0.0000 0.0000 3LYS BB 7 -1.011 0.358 -0.667 0.0000 0.0000 0.0000 3LYS SC1 8 -1.244 0.522 -0.792 0.0000 0.0000 0.0000 3LYS SC2 9 -1.230 0.785 -0.627 0.0000 0.0000 0.0000 3LYS SCD 10 -1.224 0.779 -0.634 0.0000 0.0000 0.0000 4ALA BB 11 -0.814 0.107 -0.689 0.0000 0.0000 0.0000 5VAL BB 12 -0.662 0.225 -0.425 0.0000 0.0000 0.0000 5VAL SC1 13 -0.465 0.383 -0.498 0.0000 0.0000 0.0000 6MET BB 14 -0.903 0.239 -0.223 0.0000 0.0000 0.0000 6MET SC1 15 -1.067 0.614 -0.290 0.0000 0.0000 0.0000 7ILE BB 16 -0.974 -0.063 -0.204 0.0000 0.0000 0.0000 7ILE SC1 17 -1.190 -0.120 -0.387 0.0000 0.0000 0.0000 8GLY BB 18 -0.701 -0.149 -0.097 0.0000 0.0000 0.0000 9ALA BB 19 -0.703 0.052 0.143 0.0000 0.0000 0.0000 10CYS BB 20 -0.956 -0.124 0.267 0.0000 0.0000 0.0000 10CYS SC1 21 -1.226 -0.069 0.235 0.0000 0.0000 0.0000 11PHE BB 22 -0.832 -0.411 0.290 0.0000 0.0000 0.0000 11PHE SC1 23 -0.839 -0.504 -0.026 0.0000 0.0000 0.0000 11PHE SC2 24 -0.602 -0.512 -0.072 0.0000 0.0000 0.0000 11PHE SC3 25 -0.704 -0.500 -0.270 0.0000 0.0000 0.0000 12LEU BB 26 -0.604 -0.341 0.493 0.0000 0.0000 0.0000 12LEU SC1 27 -0.361 -0.234 0.272 0.0000 0.0000 0.0000 13ILE BB 28 -0.785 -0.254 0.726 0.0000 0.0000 0.0000 13ILE SC1 29 -0.813 0.032 0.724 0.0000 0.0000 0.0000 14ASP0 BB 30 -0.926 -0.533 0.754 0.0000 0.0000 0.0000 14ASP0 SC1 31 -1.108 -0.661 0.610 0.0000 0.0000 0.0000 15PHE BB 32 -0.675 -0.707 0.830 0.0000 0.0000 0.0000 15PHE SC1 33 -0.502 -0.718 0.553 0.0000 0.0000 0.0000 15PHE SC2 34 -0.323 -0.581 0.638 0.0000 0.0000 0.0000 15PHE SC3 35 -0.297 -0.588 0.416 0.0000 0.0000 0.0000 16MET BB 36 -0.599 -0.560 1.101 0.0000 0.0000 0.0000 16MET SC1 37 -0.374 -0.236 0.973 0.0000 0.0000 0.0000 17PHE BB 38 -0.858 -0.621 1.273 0.0000 0.0000 0.0000 17PHE SC1 39 -1.074 -0.425 1.125 0.0000 0.0000 0.0000 17PHE SC2 40 -1.203 -0.598 1.017 0.0000 0.0000 0.0000 17PHE SC3 41 -1.255 -0.407 0.913 0.0000 0.0000 0.0000 18PHE BB 42 -0.831 -0.933 1.278 0.0000 0.0000 0.0000 18PHE SC1 43 -0.905 -1.012 0.969 0.0000 0.0000 0.0000 18PHE SC2 44 -0.684 -1.087 0.907 0.0000 0.0000 0.0000 18PHE SC3 45 -0.796 -1.055 0.716 0.0000 0.0000 0.0000 19GLU BB 46 -0.585 -0.891 1.415 0.0000 0.0000 0.0000 19GLU SC1 47 -0.261 -0.785 1.202 0.0000 0.0000 0.0000 19GLU SCD 48 -0.253 -0.793 1.204 0.0000 0.0000 0.0000 0.00000 0.00000 0.00000