Getting the Right Output Means no Artefacts in Calculating Stuff 48 1LYS BB 1 6.439 1.209 0.913 1LYS SC1 2 6.648 1.289 0.691 1LYS SC2 3 6.633 1.593 0.707 1LYS SCD 4 6.626 1.585 0.705 2MET BB 5 6.166 1.065 0.996 2MET SC1 6 6.206 0.681 0.848 3LYS BB 7 6.103 1.221 1.260 3LYS SC1 8 6.240 1.011 1.444 3LYS SC2 9 6.079 0.754 1.377 3LYS SCD 10 6.085 0.761 1.371 4ALA BB 11 6.112 1.511 1.125 5VAL BB 12 5.843 1.423 0.960 5VAL SC1 13 5.910 1.317 0.730 6MET BB 14 5.652 1.349 1.200 6MET SC1 15 5.732 0.949 1.270 7ILE BB 16 5.632 1.627 1.339 7ILE SC1 17 5.823 1.638 1.554 8GLY BB 18 5.511 1.771 1.097 9ALA BB 19 5.274 1.568 1.062 10CYS BB 20 5.159 1.678 1.353 10CYS SC1 21 5.203 1.564 1.602 11PHE BB 22 5.126 1.986 1.299 11PHE SC1 23 5.440 2.083 1.315 11PHE SC2 24 5.476 2.145 1.085 11PHE SC3 25 5.679 2.116 1.174 12LEU BB 26 4.915 1.964 1.069 12LEU SC1 27 5.127 1.921 0.800 13ILE BB 28 4.691 1.833 1.235 13ILE SC1 29 4.699 1.548 1.196 14ASP0 BB 30 4.665 2.071 1.437 14ASP0 SC1 31 4.814 2.157 1.637 15PHE BB 32 4.576 2.296 1.235 15PHE SC1 33 4.844 2.353 1.059 15PHE SC2 34 4.754 2.258 0.856 15PHE SC3 35 4.974 2.277 0.824 16MET BB 36 4.303 2.163 1.138 16MET SC1 37 4.427 1.903 0.840 17PHE BB 38 4.142 2.159 1.411 17PHE SC1 39 4.302 1.922 1.570 17PHE SC2 40 4.413 2.064 1.731 17PHE SC3 41 4.523 1.869 1.733 18PHE BB 42 4.131 2.469 1.456 18PHE SC1 43 4.441 2.537 1.534 18PHE SC2 44 4.493 2.662 1.335 18PHE SC3 45 4.689 2.610 1.428 19GLU BB 46 3.984 2.481 1.213 19GLU SC1 47 4.185 2.457 0.864 19GLU SCD 48 4.182 2.467 0.860 9.00000 9.00000 9.00000