Getting the Right Output Means no Artefacts in Calculating Stuff 49 1ALA BB 1 3.242 7.044 5.162 2LEU BB 2 3.269 7.171 5.447 2LEU SC1 3 3.571 7.341 5.442 3GLN BB 4 2.996 7.165 5.534 3GLN SC1 5 2.658 7.389 5.510 3GLN SCD 6 2.660 7.376 5.508 3GLN SCD 7 2.656 7.403 5.513 4ALA BB 8 2.949 6.871 5.460 5PHE BB 9 3.176 6.804 5.669 5PHE SC1 10 3.420 6.792 5.461 5PHE SC2 11 3.504 6.592 5.377 5PHE SC3 12 3.513 6.718 5.209 6ALA BB 13 3.088 6.978 5.905 7ILE BB 14 2.823 6.806 5.906 7ILE SC1 15 2.577 6.955 5.761 8ALA BB 16 2.940 6.524 5.885 9LEU BB 17 3.084 6.585 6.159 9LEU SC1 18 3.417 6.631 6.076 10SER BB 19 2.860 6.667 6.319 10SER SC1 20 2.751 6.883 6.255 10SER SCD 21 2.750 6.869 6.257 10SER SCD 22 2.753 6.896 6.253 11SER BB 23 2.708 6.427 6.278 11SER SC1 24 2.626 6.386 6.045 11SER SCD 25 2.613 6.389 6.040 11SER SCD 26 2.639 6.384 6.050 12PHE BB 27 2.910 6.248 6.379 12PHE SC1 28 3.070 6.180 6.109 12PHE SC2 29 3.045 5.979 5.995 12PHE SC3 30 3.063 6.118 5.838 13ASP BB 31 2.932 6.372 6.636 13ASP SC1 32 3.088 6.561 6.813 13ASP SCD 33 3.079 6.556 6.811 14SER BB 34 2.655 6.342 6.706 14SER SC1 35 2.492 6.475 6.570 14SER SCD 36 2.498 6.487 6.574 14SER SCD 37 2.487 6.463 6.566 15LYS BB 38 2.650 6.056 6.674 15LYS SC1 39 2.591 5.848 6.447 15LYS SC2 40 2.558 5.549 6.344 15LYS SCD 41 2.568 5.546 6.345 16LEU BB 42 2.860 6.003 6.862 16LEU SC1 43 3.153 5.935 6.690 17ALA BB 44 2.740 6.172 7.087 18CYS BB 45 2.493 5.976 7.076 18CYS SC1 46 2.227 5.983 6.988 19GLU BB 47 2.642 5.774 7.092 19GLU SC1 48 2.805 5.437 6.880 19GLU SCD 49 2.795 5.432 6.884 9.00000 9.00000 9.00000