Getting the Right Output Means no Artefacts in Calculating Stuff 71 1LYS BB 1 8.171 3.491 8.083 1LYS SC1 2 8.448 3.396 8.199 1LYS SC2 3 8.383 3.108 8.273 2MET BB 4 7.914 3.685 8.097 2MET SC1 5 8.084 4.064 8.101 3LYS BB 6 7.706 3.509 7.941 3LYS SC1 7 7.768 3.645 7.666 3LYS SC2 8 7.701 3.943 7.727 4ALA BB 9 7.739 3.252 8.131 5VAL BB 10 7.602 3.433 8.369 5VAL SC1 11 7.793 3.555 8.504 6MET BB 12 7.330 3.514 8.228 6MET SC1 13 7.428 3.864 8.025 7ILE BB 14 7.203 3.232 8.194 7ILE SC1 15 7.262 3.139 7.925 8GLY BB 16 7.200 3.166 8.494 9ALA BB 17 7.045 3.428 8.574 10CYS BB 18 6.783 3.304 8.406 10CYS SC1 19 6.720 3.362 8.143 11PHE BB 20 6.737 3.028 8.550 11PHE SC1 21 6.987 2.853 8.419 11PHE SC2 22 7.122 2.821 8.616 11PHE SC3 23 7.257 2.782 8.442 12LEU BB 24 6.674 3.142 8.836 12LEU SC1 25 6.999 3.171 8.956 13ILE BB 26 6.419 3.298 8.758 13ILE SC1 27 6.492 3.574 8.711 14ASP BB 28 6.261 3.044 8.661 14ASP SC1 29 6.275 2.870 8.434 15PHE BB 30 6.252 2.886 8.935 15PHE SC1 31 6.564 2.792 8.977 15PHE SC2 32 6.602 2.938 9.165 15PHE SC3 33 6.803 2.868 9.099 16MET BB 34 6.086 3.100 9.103 16MET SC1 35 6.383 3.364 9.231 17PHE BB 36 5.813 3.101 8.941 17PHE SC1 37 5.911 3.260 8.669 17PHE SC2 38 5.905 3.071 8.520 17PHE SC3 39 6.027 3.227 8.417 18PHE BB 40 5.736 2.800 8.990 18PHE SC1 41 5.956 2.645 8.801 18PHE SC2 42 6.080 2.544 8.982 18PHE SC3 43 6.210 2.528 8.800 19GLU BB 44 5.712 2.815 9.306 19GLU SC1 45 6.081 2.895 9.466 20SER BB 46 5.476 3.021 9.325 20SER SC1 47 5.558 3.224 9.205 21THR BB 48 5.264 2.846 9.178 21THR SC1 49 5.348 2.863 8.926 22GLY BB 50 5.267 2.609 9.376 23SER BB 51 5.171 2.771 9.616 23SER SC1 52 5.333 2.954 9.655 24GLN BB 53 4.892 2.854 9.496 24GLN SC1 54 4.841 3.157 9.241 25GLU BB 55 4.770 2.563 9.460 25GLU SC1 56 4.985 2.353 9.185 26GLN BB 57 4.767 2.476 9.765 26GLN SC1 58 5.088 2.352 9.966 27LYS BB 59 4.569 2.694 9.870 27LYS SC1 60 4.768 2.913 9.985 27LYS SC2 61 4.726 2.869 10.281 28SER BB 62 4.327 2.603 9.695 28SER SC1 63 4.392 2.629 9.451 29GLY BB 64 4.303 2.315 9.807 30VAL BB 65 4.240 2.402 10.088 30VAL SC1 66 4.456 2.450 10.232 31TRP BB 67 3.980 2.565 9.983 31TRP SC1 68 4.136 2.849 9.932 31TRP SC2 69 4.264 2.957 10.063 31TRP SC3 70 4.245 3.032 9.718 31TRP SC4 71 4.389 3.144 9.847 10.00000 10.00000 10.00000