Getting the Right Output Means no Artefacts in Calculating Stuff 71 1LYS BB 1 1.451 3.760 5.843 1LYS SC1 2 1.720 3.616 5.923 1LYS SC2 3 1.923 3.832 5.853 2MET BB 4 1.186 3.775 5.659 2MET SC1 5 1.011 3.402 5.719 3LYS BB 6 1.125 4.082 5.679 3LYS SC1 7 0.930 4.048 5.922 3LYS SC2 8 0.716 3.856 5.805 4ALA BB 9 1.413 4.174 5.572 5VAL BB 10 1.327 4.043 5.282 5VAL SC1 11 1.408 3.792 5.275 6MET BB 12 1.059 4.203 5.226 6MET SC1 13 0.769 3.970 5.412 7ILE BB 14 1.174 4.492 5.207 7ILE SC1 15 1.142 4.619 5.465 8GLY BB 16 1.362 4.431 4.970 9ALA BB 17 1.134 4.312 4.789 10CYS BB 18 1.003 4.619 4.781 10CYS SC1 19 0.803 4.712 4.948 11PHE BB 20 1.241 4.790 4.666 11PHE SC1 21 1.434 4.808 4.935 11PHE SC2 22 1.621 4.677 4.861 11PHE SC3 23 1.636 4.686 5.084 12LEU BB 24 1.265 4.644 4.388 12LEU SC1 25 1.473 4.382 4.481 13ILE BB 26 0.983 4.717 4.284 13ILE SC1 27 0.805 4.495 4.338 14ASP BB 28 1.031 5.028 4.294 14ASP SC1 29 1.052 5.224 4.500 15PHE BB 30 1.268 5.045 4.085 15PHE SC1 31 1.519 4.907 4.245 15PHE SC2 32 1.526 4.712 4.102 15PHE SC3 33 1.650 4.663 4.281 16MET BB 34 1.110 4.934 3.830 16MET SC1 35 1.143 4.521 3.878 17PHE BB 36 0.888 5.158 3.799 17PHE SC1 37 0.698 5.086 4.059 17PHE SC2 38 0.757 5.277 4.193 17PHE SC3 39 0.662 5.130 4.332 18PHE BB 40 1.082 5.400 3.743 18PHE SC1 41 1.217 5.444 4.040 18PHE SC2 42 1.439 5.374 3.980 18PHE SC3 43 1.432 5.372 4.203 19GLU BB 44 1.210 5.289 3.476 19GLU SC1 45 1.425 4.950 3.557 20SER BB 46 0.949 5.280 3.301 20SER SC1 47 0.793 5.132 3.425 21THR BB 48 0.890 5.587 3.309 21THR SC1 49 0.802 5.615 3.559 22GLY BB 50 1.153 5.680 3.176 23SER BB 51 1.103 5.537 2.911 23SER SC1 52 1.079 5.295 2.958 24GLN BB 53 0.840 5.692 2.834 24GLN SC1 54 0.478 5.601 2.978 25GLU BB 55 0.962 5.984 2.819 25GLU SC1 56 1.092 6.102 3.187 26GLN BB 57 1.167 5.937 2.582 26GLN SC1 58 1.520 5.756 2.623 27LYS BB 59 0.960 5.866 2.360 27LYS SC1 60 0.966 5.548 2.364 27LYS SC2 61 1.116 5.497 2.106 28SER BB 62 0.812 6.141 2.366 28SER SC1 63 0.712 6.171 2.597 29GLY BB 64 1.055 6.317 2.290 30VAL BB 65 1.095 6.192 2.019 30VAL SC1 66 1.244 5.975 2.027 31TRP BB 67 0.793 6.274 1.934 31TRP SC1 68 0.652 5.997 2.038 31TRP SC2 69 0.706 5.796 1.998 31TRP SC3 70 0.479 5.880 2.256 31TRP SC4 71 0.538 5.666 2.228 10.00000 10.00000 10.00000