Getting the Right Output Means no Artefacts in Calculating Stuff 49 1ALA BB 1 1.360 -0.284 -1.638 0.0000 0.0000 0.0000 2LEU BB 2 1.456 -0.267 -1.341 0.0000 0.0000 0.0000 2LEU SC1 3 1.531 -0.594 -1.253 0.0000 0.0000 0.0000 3GLN BB 4 1.525 0.011 -1.323 0.0000 0.0000 0.0000 3GLN SC1 5 1.839 0.257 -1.396 0.0000 0.0000 0.0000 3GLN SCD 6 1.825 0.258 -1.400 0.0000 0.0000 0.0000 3GLN SCD 7 1.852 0.256 -1.393 0.0000 0.0000 0.0000 4ALA BB 8 1.262 0.113 -1.443 0.0000 0.0000 0.0000 5PHE BB 9 1.120 -0.025 -1.197 0.0000 0.0000 0.0000 5PHE SC1 10 1.049 -0.302 -1.342 0.0000 0.0000 0.0000 5PHE SC2 11 0.839 -0.349 -1.428 0.0000 0.0000 0.0000 5PHE SC3 12 0.966 -0.436 -1.571 0.0000 0.0000 0.0000 6ALA BB 13 1.298 0.074 -0.968 0.0000 0.0000 0.0000 7ILE BB 14 1.211 0.365 -1.053 0.0000 0.0000 0.0000 7ILE SC1 15 1.434 0.514 -1.230 0.0000 0.0000 0.0000 8ALA BB 16 0.909 0.326 -1.082 0.0000 0.0000 0.0000 9LEU BB 17 0.910 0.249 -0.776 0.0000 0.0000 0.0000 9LEU SC1 18 0.860 -0.094 -0.771 0.0000 0.0000 0.0000 10SER BB 19 1.043 0.476 -0.664 0.0000 0.0000 0.0000 10SER SC1 20 1.285 0.503 -0.723 0.0000 0.0000 0.0000 10SER SCD 21 1.272 0.508 -0.723 0.0000 0.0000 0.0000 10SER SCD 22 1.298 0.497 -0.724 0.0000 0.0000 0.0000 11SER BB 23 0.861 0.671 -0.771 0.0000 0.0000 0.0000 11SER SC1 24 0.860 0.696 -1.020 0.0000 0.0000 0.0000 11SER SCD 25 0.866 0.706 -1.028 0.0000 0.0000 0.0000 11SER SCD 26 0.854 0.686 -1.012 0.0000 0.0000 0.0000 12PHE BB 27 0.625 0.558 -0.650 0.0000 0.0000 0.0000 12PHE SC1 28 0.530 0.356 -0.880 0.0000 0.0000 0.0000 12PHE SC2 29 0.352 0.403 -1.022 0.0000 0.0000 0.0000 12PHE SC3 30 0.488 0.308 -1.151 0.0000 0.0000 0.0000 13ASP BB 31 0.722 0.573 -0.380 0.0000 0.0000 0.0000 13ASP SC1 32 0.847 0.424 -0.149 0.0000 0.0000 0.0000 13ASP SCD 33 0.845 0.434 -0.154 0.0000 0.0000 0.0000 14SER BB 34 0.770 0.855 -0.383 0.0000 0.0000 0.0000 14SER SC1 35 0.953 0.935 -0.535 0.0000 0.0000 0.0000 14SER SCD 36 0.962 0.927 -0.528 0.0000 0.0000 0.0000 14SER SCD 37 0.943 0.942 -0.542 0.0000 0.0000 0.0000 15LYS BB 38 0.501 0.929 -0.452 0.0000 0.0000 0.0000 15LYS SC1 39 0.332 0.979 -0.711 0.0000 0.0000 0.0000 15LYS SC2 40 0.063 1.062 -0.858 0.0000 0.0000 0.0000 15LYS SCD 41 0.057 1.053 -0.854 0.0000 0.0000 0.0000 16LEU BB 42 0.378 0.798 -0.228 0.0000 0.0000 0.0000 16LEU SC1 43 0.238 0.499 -0.333 0.0000 0.0000 0.0000 17ALA BB 44 0.562 0.923 -0.018 0.0000 0.0000 0.0000 18CYS BB 45 0.447 1.201 -0.113 0.0000 0.0000 0.0000 18CYS SC1 46 0.536 1.423 -0.259 0.0000 0.0000 0.0000 19GLU BB 47 0.210 1.121 -0.089 0.0000 0.0000 0.0000 19GLU SC1 48 -0.147 1.005 -0.298 0.0000 0.0000 0.0000 19GLU SCD 49 -0.149 1.015 -0.297 0.0000 0.0000 0.0000 0.00000 0.00000 0.00000