Getting the Right Output Means no Artefacts in Calculating Stuff 48 1LYS BB 1 -0.331 5.220 4.416 1LYS SC1 2 -0.385 5.496 4.557 1LYS SC2 3 -0.677 5.542 4.482 1LYS SCD 4 -0.668 5.540 4.476 2MET BB 5 -0.171 5.047 4.201 2MET SC1 6 0.227 5.116 4.292 3LYS BB 7 -0.375 4.813 4.158 3LYS SC1 8 -0.243 4.628 4.369 3LYS SC2 9 0.045 4.600 4.256 3LYS SCD 10 0.038 4.608 4.259 4ALA BB 11 -0.620 5.005 4.079 5VAL BB 12 -0.452 5.079 3.809 5VAL SC1 13 -0.304 5.291 3.851 6MET BB 14 -0.411 4.791 3.687 6MET SC1 15 -0.059 4.660 3.862 7ILE BB 16 -0.708 4.712 3.636 7ILE SC1 17 -0.802 4.555 3.858 8GLY BB 18 -0.765 4.944 3.444 9ALA BB 19 -0.525 4.878 3.253 10CYS BB 20 -0.685 4.598 3.175 10CYS SC1 21 -0.645 4.349 3.289 11PHE BB 22 -0.959 4.706 3.068 11PHE SC1 23 -1.107 4.785 3.352 11PHE SC2 24 -1.115 5.025 3.329 11PHE SC3 25 -1.141 4.982 3.547 12LEU BB 26 -0.848 4.870 2.826 12LEU SC1 27 -0.774 5.166 2.987 13ILE BB 28 -0.728 4.632 2.671 13ILE SC1 29 -0.447 4.612 2.731 14ASP0 BB 30 -1.001 4.484 2.635 14ASP0 SC1 31 -1.158 4.347 2.798 15PHE BB 32 -1.151 4.701 2.463 15PHE SC1 33 -1.205 4.944 2.675 15PHE SC2 34 -1.050 5.095 2.569 15PHE SC3 35 -1.094 5.182 2.770 16MET BB 36 -0.957 4.701 2.211 16MET SC1 37 -0.654 4.959 2.327 17PHE BB 38 -0.995 4.404 2.110 17PHE SC1 39 -0.835 4.241 2.344 17PHE SC2 40 -1.028 4.144 2.451 17PHE SC3 41 -0.860 4.127 2.597 18PHE BB 42 -1.301 4.423 2.043 18PHE SC1 43 -1.435 4.436 2.341 18PHE SC2 44 -1.513 4.664 2.325 18PHE SC3 45 -1.518 4.611 2.542 19GLU BB 46 -1.228 4.622 1.852 19GLU SC1 47 -1.151 4.995 1.983 19GLU SCD 48 -1.158 5.001 1.978 9.00000 9.00000 9.00000