Getting the Right Output Means no Artefacts in Calculating Stuff 48 1LYS BB 1 -0.242 -1.159 1.014 0.0000 0.0000 0.0000 1LYS SC1 2 0.021 -1.328 0.973 0.0000 0.0000 0.0000 1LYS SC2 3 0.207 -1.115 0.858 0.0000 0.0000 0.0000 1LYS SCD 4 0.197 -1.119 0.855 0.0000 0.0000 0.0000 2MET BB 5 -0.550 -1.108 0.947 0.0000 0.0000 0.0000 2MET SC1 6 -0.731 -1.472 1.023 0.0000 0.0000 0.0000 3LYS BB 7 -0.570 -0.804 1.021 0.0000 0.0000 0.0000 3LYS SC1 8 -0.667 -0.857 1.311 0.0000 0.0000 0.0000 3LYS SC2 9 -0.928 -1.018 1.260 0.0000 0.0000 0.0000 3LYS SCD 10 -0.918 -1.019 1.258 0.0000 0.0000 0.0000 4ALA BB 11 -0.332 -0.712 0.827 0.0000 0.0000 0.0000 5VAL BB 12 -0.526 -0.797 0.577 0.0000 0.0000 0.0000 5VAL SC1 13 -0.482 -1.046 0.510 0.0000 0.0000 0.0000 6MET BB 14 -0.778 -0.618 0.640 0.0000 0.0000 0.0000 6MET SC1 15 -1.008 -0.854 0.891 0.0000 0.0000 0.0000 7ILE BB 16 -0.651 -0.336 0.612 0.0000 0.0000 0.0000 7ILE SC1 17 -0.576 -0.241 0.874 0.0000 0.0000 0.0000 8GLY BB 18 -0.567 -0.371 0.320 0.0000 0.0000 0.0000 9ALA BB 19 -0.854 -0.451 0.221 0.0000 0.0000 0.0000 10CYS BB 20 -0.948 -0.141 0.295 0.0000 0.0000 0.0000 10CYS SC1 21 -1.066 -0.058 0.532 0.0000 0.0000 0.0000 11PHE BB 22 -0.752 0.031 0.122 0.0000 0.0000 0.0000 11PHE SC1 23 -0.475 0.005 0.298 0.0000 0.0000 0.0000 11PHE SC2 24 -0.341 -0.125 0.146 0.0000 0.0000 0.0000 11PHE SC3 25 -0.247 -0.148 0.348 0.0000 0.0000 0.0000 12LEU BB 26 -0.843 -0.074 -0.159 0.0000 0.0000 0.0000 12LEU SC1 27 -0.645 -0.355 -0.182 0.0000 0.0000 0.0000 13ILE BB 28 -1.134 0.027 -0.144 0.0000 0.0000 0.0000 13ILE SC1 29 -1.305 -0.187 -0.057 0.0000 0.0000 0.0000 14ASP0 BB 30 -1.056 0.329 -0.119 0.0000 0.0000 0.0000 14ASP0 SC1 31 -0.955 0.476 0.076 0.0000 0.0000 0.0000 15PHE BB 32 -0.909 0.364 -0.396 0.0000 0.0000 0.0000 15PHE SC1 33 -0.633 0.194 -0.360 0.0000 0.0000 0.0000 15PHE SC2 34 -0.697 0.021 -0.516 0.0000 0.0000 0.0000 15PHE SC3 35 -0.524 -0.059 -0.401 0.0000 0.0000 0.0000 16MET BB 36 -1.156 0.299 -0.586 0.0000 0.0000 0.0000 16MET SC1 37 -1.153 -0.116 -0.603 0.0000 0.0000 0.0000 17PHE BB 38 -1.351 0.536 -0.509 0.0000 0.0000 0.0000 17PHE SC1 39 -1.443 0.442 -0.210 0.0000 0.0000 0.0000 17PHE SC2 40 -1.321 0.609 -0.087 0.0000 0.0000 0.0000 17PHE SC3 41 -1.375 0.449 0.061 0.0000 0.0000 0.0000 18PHE BB 42 -1.168 0.772 -0.605 0.0000 0.0000 0.0000 18PHE SC1 43 -0.932 0.770 -0.378 0.0000 0.0000 0.0000 18PHE SC2 44 -0.754 0.697 -0.524 0.0000 0.0000 0.0000 18PHE SC3 45 -0.681 0.665 -0.315 0.0000 0.0000 0.0000 19GLU BB 46 -1.189 0.658 -0.865 0.0000 0.0000 0.0000 19GLU SC1 47 -0.962 0.338 -0.955 0.0000 0.0000 0.0000 19GLU SCD 48 -0.956 0.342 -0.964 0.0000 0.0000 0.0000 0.00000 0.00000 0.00000