Getting the Right Output Means no Artefacts in Calculating Stuff 71 1LYS BB 1 2.696 5.142 -0.434 1LYS SC1 2 2.985 5.051 -0.351 1LYS SC2 3 2.926 4.908 -0.088 2MET BB 4 2.485 5.379 -0.498 2MET SC1 5 2.679 5.600 -0.791 3LYS BB 6 2.216 5.227 -0.440 3LYS SC1 7 2.178 5.140 -0.738 3LYS SC2 8 2.171 5.415 -0.883 4ALA BB 9 2.296 5.143 -0.140 5VAL BB 10 2.282 5.464 -0.067 5VAL SC1 11 2.522 5.569 -0.098 6MET BB 12 1.986 5.529 -0.158 6MET SC1 13 2.030 5.628 -0.560 7ILE BB 14 1.828 5.346 0.038 7ILE SC1 15 1.768 5.098 -0.099 8GLY BB 16 1.936 5.480 0.293 9ALA BB 17 1.852 5.770 0.206 10CYS BB 18 1.535 5.667 0.232 10CYS SC1 19 1.379 5.572 0.023 11PHE BB 20 1.522 5.568 0.531 11PHE SC1 21 1.682 5.279 0.502 11PHE SC2 22 1.880 5.328 0.631 11PHE SC3 23 1.930 5.151 0.505 12LEU BB 24 1.588 5.844 0.667 12LEU SC1 25 1.934 5.828 0.658 13ILE BB 26 1.339 5.996 0.564 13ILE SC1 27 1.414 6.144 0.327 14ASP BB 28 1.132 5.806 0.705 14ASP SC1 29 1.038 5.539 0.662 15PHE BB 30 1.215 5.859 1.005 15PHE SC1 31 1.508 5.711 1.028 15PHE SC2 32 1.630 5.917 1.051 15PHE SC3 33 1.781 5.760 1.007 16MET BB 34 1.150 6.171 1.014 16MET SC1 35 1.498 6.340 0.857 17PHE BB 36 0.837 6.166 0.962 17PHE SC1 37 0.836 6.085 0.642 17PHE SC2 38 0.753 5.860 0.669 17PHE SC3 39 0.839 5.871 0.463 18PHE BB 40 0.756 6.003 1.219 18PHE SC1 41 0.868 5.703 1.143 18PHE SC2 42 1.043 5.696 1.309 18PHE SC3 43 1.088 5.532 1.164 19GLU BB 44 0.860 6.211 1.434 19GLU SC1 45 1.268 6.241 1.408 20SER BB 46 0.672 6.451 1.360 20SER SC1 47 0.719 6.498 1.120 21THR BB 48 0.402 6.307 1.425 21THR SC1 49 0.382 6.140 1.219 22GLY BB 50 0.460 6.252 1.724 23SER BB 51 0.482 6.546 1.803 23SER SC1 52 0.663 6.649 1.669 24GLN BB 53 0.188 6.628 1.725 24GLN SC1 54 0.071 6.712 1.352 25GLU BB 55 0.034 6.437 1.926 25GLU SC1 56 0.102 6.046 1.829 26GLN BB 57 0.142 6.557 2.198 26GLN SC1 58 0.502 6.480 2.350 27LYS BB 59 0.024 6.845 2.167 27LYS SC1 60 0.272 7.006 2.054 27LYS SC2 61 0.346 7.167 2.299 28SER BB 62 -0.275 6.755 2.162 28SER SC1 63 -0.309 6.605 1.960 29GLY BB 64 -0.281 6.621 2.441 30VAL BB 65 -0.220 6.874 2.593 30VAL SC1 66 0.039 6.923 2.611 31TRP BB 67 -0.483 7.016 2.467 31TRP SC1 68 -0.332 7.140 2.204 31TRP SC2 69 -0.154 7.254 2.192 31TRP SC3 70 -0.299 7.107 1.905 31TRP SC4 71 -0.106 7.218 1.886 10.00000 10.00000 10.00000