Getting the Right Output Means no Artefacts in Calculating Stuff 48 1LYS BB 1 1.321 1.497 4.363 1LYS SC1 2 1.323 1.383 4.657 1LYS SC2 3 1.496 1.135 4.620 1LYS SCD 4 1.487 1.139 4.615 2MET BB 5 1.160 1.579 4.100 2MET SC1 6 0.867 1.836 4.238 3LYS BB 7 1.390 1.560 3.889 3LYS SC1 8 1.463 1.862 3.908 3LYS SC2 9 1.194 1.996 3.828 3LYS SCD 10 1.198 1.989 3.836 4ALA BB 11 1.468 1.257 3.958 5VAL BB 12 1.176 1.173 3.837 5VAL SC1 13 0.997 1.169 4.029 6MET BB 14 1.198 1.296 3.547 6MET SC1 15 1.060 1.684 3.594 7ILE BB 16 1.435 1.129 3.437 7ILE SC1 17 1.679 1.279 3.470 8GLY BB 18 1.296 0.858 3.469 9ALA BB 19 1.041 0.942 3.305 10CYS BB 20 1.238 0.959 3.038 10CYS SC1 21 1.361 1.187 2.939 11PHE BB 22 1.358 0.669 3.026 11PHE SC1 23 1.580 0.686 3.269 11PHE SC2 24 1.480 0.533 3.426 11PHE SC3 25 1.623 0.658 3.544 12LEU BB 26 1.088 0.515 2.986 12LEU SC1 27 0.992 0.480 3.315 13ILE BB 28 1.013 0.641 2.715 13ILE SC1 29 0.832 0.859 2.758 14ASP0 BB 30 1.267 0.534 2.565 14ASP0 SC1 31 1.523 0.602 2.568 15PHE BB 32 1.215 0.225 2.595 15PHE SC1 33 1.264 0.169 2.913 15PHE SC2 34 1.032 0.123 2.960 15PHE SC3 35 1.131 0.155 3.157 16MET BB 36 0.941 0.211 2.434 16MET SC1 37 0.659 0.316 2.720 17PHE BB 38 1.039 0.300 2.147 17PHE SC1 39 1.092 0.619 2.200 17PHE SC2 40 1.333 0.611 2.191 17PHE SC3 41 1.280 0.804 2.290 18PHE BB 42 1.237 0.063 2.095 18PHE SC1 43 1.481 0.133 2.301 18PHE SC2 44 1.445 -0.053 2.451 18PHE SC3 45 1.575 0.091 2.561 19GLU BB 46 1.009 -0.107 2.113 19GLU SC1 47 0.866 -0.199 2.478 19GLU SCD 48 0.866 -0.210 2.478 9.00000 9.00000 9.00000