Getting the Right Output Means no Artefacts in Calculating Stuff 48 1LYS BB 1 3.840 1.021 0.701 1LYS SC1 2 3.713 1.087 0.421 1LYS SC2 3 3.525 0.849 0.387 1LYS SCD 4 3.536 0.850 0.389 2MET BB 5 4.097 0.955 0.879 2MET SC1 6 4.359 1.263 0.794 3LYS BB 7 3.959 0.809 1.119 3LYS SC1 8 3.937 1.067 1.292 3LYS SC2 9 4.235 1.151 1.317 3LYS SCD 10 4.227 1.150 1.309 4ALA BB 11 3.812 0.590 0.939 5VAL BB 12 4.109 0.471 0.871 5VAL SC1 13 4.203 0.584 0.653 6MET BB 14 4.214 0.414 1.162 6MET SC1 15 4.389 0.771 1.276 7ILE BB 16 4.009 0.199 1.252 7ILE SC1 17 3.799 0.326 1.402 8GLY BB 18 4.079 -0.001 1.030 9ALA BB 19 4.385 -0.005 1.097 10CYS BB 20 4.305 -0.149 1.384 10CYS SC1 21 4.266 -0.021 1.628 11PHE BB 22 4.150 -0.405 1.289 11PHE SC1 23 3.862 -0.272 1.202 11PHE SC2 24 3.870 -0.307 0.964 11PHE SC3 25 3.717 -0.147 0.998 12LEU BB 26 4.385 -0.539 1.132 12LEU SC1 27 4.349 -0.381 0.827 13ILE BB 28 4.574 -0.578 1.373 13ILE SC1 29 4.762 -0.361 1.383 14ASP0 BB 30 4.377 -0.765 1.530 14ASP0 SC1 31 4.153 -0.722 1.664 15PHE BB 32 4.361 -1.003 1.324 15PHE SC1 33 4.192 -0.879 1.075 15PHE SC2 34 4.380 -0.877 0.924 15PHE SC3 35 4.223 -0.748 0.830 16MET BB 36 4.668 -1.086 1.330 16MET SC1 37 4.841 -0.824 1.059 17PHE BB 38 4.698 -1.175 1.632 17PHE SC1 39 4.684 -0.884 1.780 17PHE SC2 40 4.465 -0.910 1.878 17PHE SC3 41 4.511 -0.691 1.884 18PHE BB 42 4.495 -1.413 1.625 18PHE SC1 43 4.208 -1.258 1.602 18PHE SC2 44 4.156 -1.328 1.378 18PHE SC3 45 4.021 -1.155 1.422 19GLU BB 46 4.669 -1.531 1.432 19GLU SC1 47 4.652 -1.399 1.052 19GLU SCD 48 4.650 -1.409 1.046 9.00000 9.00000 9.00000