Getting the Right Output Means no Artefacts in Calculating Stuff 49 1ALA BB 1 1.242 1.044 -1.838 0.0000 0.0000 0.0000 2LEU BB 2 1.269 1.171 -1.553 0.0000 0.0000 0.0000 2LEU SC1 3 1.571 1.341 -1.558 0.0000 0.0000 0.0000 3GLN BB 4 0.996 1.165 -1.466 0.0000 0.0000 0.0000 3GLN SC1 5 0.658 1.389 -1.490 0.0000 0.0000 0.0000 3GLN SCD 6 0.660 1.376 -1.492 0.0000 0.0000 0.0000 3GLN SCD 7 0.656 1.403 -1.487 0.0000 0.0000 0.0000 4ALA BB 8 0.949 0.871 -1.540 0.0000 0.0000 0.0000 5PHE BB 9 1.176 0.804 -1.331 0.0000 0.0000 0.0000 5PHE SC1 10 1.420 0.792 -1.539 0.0000 0.0000 0.0000 5PHE SC2 11 1.504 0.592 -1.623 0.0000 0.0000 0.0000 5PHE SC3 12 1.513 0.718 -1.791 0.0000 0.0000 0.0000 6ALA BB 13 1.088 0.978 -1.095 0.0000 0.0000 0.0000 7ILE BB 14 0.823 0.806 -1.094 0.0000 0.0000 0.0000 7ILE SC1 15 0.577 0.955 -1.239 0.0000 0.0000 0.0000 8ALA BB 16 0.940 0.524 -1.115 0.0000 0.0000 0.0000 9LEU BB 17 1.084 0.585 -0.841 0.0000 0.0000 0.0000 9LEU SC1 18 1.417 0.631 -0.924 0.0000 0.0000 0.0000 10SER BB 19 0.860 0.667 -0.681 0.0000 0.0000 0.0000 10SER SC1 20 0.751 0.883 -0.745 0.0000 0.0000 0.0000 10SER SCD 21 0.750 0.869 -0.743 0.0000 0.0000 0.0000 10SER SCD 22 0.753 0.896 -0.747 0.0000 0.0000 0.0000 11SER BB 23 0.708 0.427 -0.722 0.0000 0.0000 0.0000 11SER SC1 24 0.626 0.386 -0.955 0.0000 0.0000 0.0000 11SER SCD 25 0.613 0.389 -0.960 0.0000 0.0000 0.0000 11SER SCD 26 0.639 0.384 -0.950 0.0000 0.0000 0.0000 12PHE BB 27 0.910 0.248 -0.621 0.0000 0.0000 0.0000 12PHE SC1 28 1.070 0.180 -0.891 0.0000 0.0000 0.0000 12PHE SC2 29 1.045 -0.021 -1.005 0.0000 0.0000 0.0000 12PHE SC3 30 1.063 0.118 -1.162 0.0000 0.0000 0.0000 13ASP BB 31 0.932 0.372 -0.364 0.0000 0.0000 0.0000 13ASP SC1 32 1.088 0.561 -0.187 0.0000 0.0000 0.0000 13ASP SCD 33 1.079 0.556 -0.189 0.0000 0.0000 0.0000 14SER BB 34 0.655 0.342 -0.294 0.0000 0.0000 0.0000 14SER SC1 35 0.492 0.475 -0.430 0.0000 0.0000 0.0000 14SER SCD 36 0.498 0.487 -0.426 0.0000 0.0000 0.0000 14SER SCD 37 0.487 0.463 -0.434 0.0000 0.0000 0.0000 15LYS BB 38 0.650 0.056 -0.326 0.0000 0.0000 0.0000 15LYS SC1 39 0.591 -0.152 -0.553 0.0000 0.0000 0.0000 15LYS SC2 40 0.558 -0.451 -0.656 0.0000 0.0000 0.0000 15LYS SCD 41 0.568 -0.454 -0.655 0.0000 0.0000 0.0000 16LEU BB 42 0.860 0.003 -0.138 0.0000 0.0000 0.0000 16LEU SC1 43 1.153 -0.065 -0.310 0.0000 0.0000 0.0000 17ALA BB 44 0.740 0.172 0.087 0.0000 0.0000 0.0000 18CYS BB 45 0.493 -0.024 0.076 0.0000 0.0000 0.0000 18CYS SC1 46 0.227 -0.017 -0.012 0.0000 0.0000 0.0000 19GLU BB 47 0.642 -0.226 0.092 0.0000 0.0000 0.0000 19GLU SC1 48 0.805 -0.563 -0.120 0.0000 0.0000 0.0000 19GLU SCD 49 0.795 -0.568 -0.116 0.0000 0.0000 0.0000 0.00000 0.00000 0.00000