Getting the Right Output Means no Artefacts in Calculating Stuff 71 1LYS BB 1 5.891 4.746 7.994 1LYS SC1 2 5.730 4.749 8.265 1LYS SC2 3 5.590 4.479 8.250 2MET BB 4 5.949 4.872 7.702 2MET SC1 5 6.029 5.270 7.788 3LYS BB 6 6.071 4.620 7.559 3LYS SC1 7 6.366 4.699 7.630 3LYS SC2 8 6.390 4.979 7.495 4ALA BB 9 5.819 4.430 7.618 5VAL BB 10 5.648 4.625 7.414 5VAL SC1 11 5.534 4.816 7.555 6MET BB 12 5.828 4.604 7.153 6MET SC1 13 6.106 4.910 7.205 7ILE BB 14 5.799 4.300 7.094 7ILE SC1 15 6.028 4.164 7.208 8GLY BB 16 5.493 4.307 7.062 9ALA BB 17 5.497 4.536 6.846 10CYS BB 18 5.648 4.319 6.643 10CYS SC1 19 5.923 4.298 6.606 11PHE BB 20 5.442 4.081 6.634 11PHE SC1 21 5.501 3.944 6.931 11PHE SC2 22 5.293 3.992 7.041 11PHE SC3 23 5.439 3.946 7.203 12LEU BB 24 5.202 4.241 6.509 12LEU SC1 25 5.066 4.372 6.801 13ILE BB 26 5.339 4.310 6.241 13ILE SC1 27 5.450 4.577 6.262 14ASP BB 28 5.380 4.011 6.155 14ASP SC1 29 5.552 3.797 6.236 15PHE BB 30 5.077 3.923 6.140 15PHE SC1 31 4.985 3.917 6.455 15PHE SC2 32 4.839 4.108 6.435 15PHE SC3 33 4.867 4.074 6.654 16MET BB 34 4.984 4.126 5.911 16MET SC1 35 4.904 4.474 6.126 17PHE BB 36 5.164 4.025 5.670 17PHE SC1 37 5.458 4.134 5.770 17PHE SC2 38 5.553 3.919 5.824 17PHE SC3 39 5.682 4.071 5.924 18PHE BB 40 5.045 3.734 5.650 18PHE SC1 41 5.168 3.595 5.922 18PHE SC2 42 4.958 3.572 6.037 18PHE SC3 43 5.117 3.544 6.191 19GLU BB 44 4.747 3.816 5.580 19GLU SC1 45 4.582 4.015 5.897 20SER BB 46 4.802 3.960 5.306 20SER SC1 47 4.963 4.142 5.360 21THR BB 48 4.916 3.710 5.157 21THR SC1 49 5.155 3.687 5.270 22GLY BB 50 4.663 3.533 5.181 23SER BB 51 4.483 3.720 5.021 23SER SC1 52 4.479 3.940 5.134 24GLN BB 53 4.644 3.705 4.751 24GLN SC1 54 4.972 3.920 4.675 25GLU BB 55 4.613 3.394 4.697 25GLU SC1 56 4.805 3.181 4.987 26GLN BB 57 4.297 3.382 4.670 26GLN SC1 58 4.045 3.387 4.977 27LYS BB 59 4.270 3.565 4.418 27LYS SC1 60 4.199 3.846 4.549 27LYS SC2 61 3.906 3.864 4.476 28SER BB 62 4.435 3.382 4.227 28SER SC1 63 4.671 3.365 4.319 29GLY BB 64 4.255 3.131 4.248 30VAL BB 65 4.011 3.264 4.129 30VAL SC1 66 3.868 3.393 4.308 31TRP BB 67 4.177 3.332 3.859 31TRP SC1 68 4.286 3.624 3.958 31TRP SC2 69 4.178 3.787 4.041 31TRP SC3 70 4.531 3.772 4.056 31TRP SC4 71 4.424 3.942 4.155 10.00000 10.00000 10.00000