Getting the Right Output Means no Artefacts in Calculating Stuff 48 1LYS BB 1 -1.785 0.167 -0.659 0.0000 0.0000 0.0000 1LYS SC1 2 -1.795 0.415 -0.854 0.0000 0.0000 0.0000 1LYS SC2 3 -1.509 0.416 -0.959 0.0000 0.0000 0.0000 1LYS SCD 4 -1.514 0.416 -0.949 0.0000 0.0000 0.0000 2MET BB 5 -1.811 0.047 -0.365 0.0000 0.0000 0.0000 2MET SC1 6 -2.182 0.175 -0.236 0.0000 0.0000 0.0000 3LYS BB 7 -1.639 -0.214 -0.399 0.0000 0.0000 0.0000 3LYS SC1 8 -1.884 -0.393 -0.467 0.0000 0.0000 0.0000 3LYS SC2 9 -2.059 -0.359 -0.213 0.0000 0.0000 0.0000 3LYS SCD 10 -2.055 -0.353 -0.221 0.0000 0.0000 0.0000 4ALA BB 11 -1.377 -0.061 -0.502 0.0000 0.0000 0.0000 5VAL BB 12 -1.355 0.068 -0.202 0.0000 0.0000 0.0000 5VAL SC1 13 -1.483 0.297 -0.194 0.0000 0.0000 0.0000 6MET BB 14 -1.347 -0.195 -0.028 0.0000 0.0000 0.0000 6MET SC1 15 -1.746 -0.280 0.043 0.0000 0.0000 0.0000 7ILE BB 16 -1.082 -0.319 -0.134 0.0000 0.0000 0.0000 7ILE SC1 17 -1.143 -0.511 -0.339 0.0000 0.0000 0.0000 8GLY BB 18 -0.905 -0.083 -0.049 0.0000 0.0000 0.0000 9ALA BB 19 -1.000 -0.087 0.250 0.0000 0.0000 0.0000 10CYS BB 20 -0.850 -0.382 0.277 0.0000 0.0000 0.0000 10CYS SC1 21 -0.970 -0.631 0.250 0.0000 0.0000 0.0000 11PHE BB 22 -0.555 -0.314 0.196 0.0000 0.0000 0.0000 11PHE SC1 23 -0.587 -0.289 -0.131 0.0000 0.0000 0.0000 11PHE SC2 24 -0.546 -0.054 -0.159 0.0000 0.0000 0.0000 11PHE SC3 25 -0.651 -0.121 -0.344 0.0000 0.0000 0.0000 12LEU BB 26 -0.496 -0.110 0.426 0.0000 0.0000 0.0000 12LEU SC1 27 -0.621 0.178 0.281 0.0000 0.0000 0.0000 13ILE BB 28 -0.528 -0.306 0.660 0.0000 0.0000 0.0000 13ILE SC1 29 -0.794 -0.284 0.768 0.0000 0.0000 0.0000 14ASP0 BB 30 -0.296 -0.496 0.569 0.0000 0.0000 0.0000 14ASP0 SC1 31 -0.272 -0.673 0.374 0.0000 0.0000 0.0000 15PHE BB 32 -0.057 -0.292 0.589 0.0000 0.0000 0.0000 15PHE SC1 33 -0.110 -0.085 0.343 0.0000 0.0000 0.0000 15PHE SC2 34 -0.165 0.101 0.487 0.0000 0.0000 0.0000 15PHE SC3 35 -0.233 0.158 0.282 0.0000 0.0000 0.0000 16MET BB 36 -0.074 -0.234 0.901 0.0000 0.0000 0.0000 16MET SC1 37 -0.365 0.061 0.924 0.0000 0.0000 0.0000 17PHE BB 38 -0.012 -0.522 1.016 0.0000 0.0000 0.0000 17PHE SC1 39 -0.290 -0.677 0.941 0.0000 0.0000 0.0000 17PHE SC2 40 -0.201 -0.815 0.765 0.0000 0.0000 0.0000 17PHE SC3 41 -0.423 -0.817 0.739 0.0000 0.0000 0.0000 18PHE BB 42 0.278 -0.550 0.902 0.0000 0.0000 0.0000 18PHE SC1 43 0.222 -0.589 0.582 0.0000 0.0000 0.0000 18PHE SC2 44 0.314 -0.378 0.512 0.0000 0.0000 0.0000 18PHE SC3 45 0.191 -0.453 0.341 0.0000 0.0000 0.0000 19GLU BB 46 0.343 -0.324 1.062 0.0000 0.0000 0.0000 19GLU SC1 47 0.240 0.042 0.930 0.0000 0.0000 0.0000 19GLU SCD 48 0.249 0.048 0.930 0.0000 0.0000 0.0000 0.00000 0.00000 0.00000