Getting the Right Output Means no Artefacts in Calculating Stuff 71 1LYS BB 1 0.728 6.168 3.057 1LYS SC1 2 0.814 5.883 3.159 1LYS SC2 3 1.094 5.863 3.041 2MET BB 4 0.532 6.355 2.881 2MET SC1 5 0.155 6.251 3.021 3LYS BB 6 0.720 6.603 2.837 3LYS SC1 7 0.608 6.756 3.087 3LYS SC2 8 0.306 6.778 3.017 4ALA BB 9 0.959 6.433 2.707 5VAL BB 10 0.757 6.377 2.453 5VAL SC1 11 0.625 6.153 2.496 6MET BB 12 0.687 6.675 2.370 6MET SC1 13 0.357 6.765 2.608 7ILE BB 14 0.971 6.775 2.289 7ILE SC1 15 1.087 6.912 2.516 8GLY BB 16 1.010 6.566 2.066 9ALA BB 17 0.742 6.637 1.919 10CYS BB 18 0.878 6.934 1.850 10CYS SC1 19 0.842 7.166 1.999 11PHE BB 20 1.140 6.853 1.696 11PHE SC1 21 1.327 6.753 1.952 11PHE SC2 22 1.343 6.518 1.902 11PHE SC3 23 1.397 6.540 2.118 12LEU BB 24 1.002 6.707 1.455 12LEU SC1 25 0.964 6.392 1.596 13ILE BB 26 0.851 6.954 1.345 13ILE SC1 27 0.581 6.949 1.447 14ASP BB 28 1.112 7.120 1.288 14ASP SC1 29 1.305 7.257 1.449 15PHE BB 30 1.245 6.929 1.075 15PHE SC1 31 1.338 6.670 1.254 15PHE SC2 32 1.176 6.521 1.155 15PHE SC3 33 1.252 6.418 1.337 16MET BB 34 1.016 6.944 0.853 16MET SC1 35 0.744 6.657 0.984 17PHE BB 36 1.028 7.253 0.780 17PHE SC1 37 0.894 7.379 1.054 17PHE SC2 38 1.096 7.476 1.144 17PHE SC3 39 0.949 7.468 1.313 18PHE BB 40 1.323 7.258 0.671 18PHE SC1 41 1.496 7.221 0.949 18PHE SC2 42 1.581 7.001 0.899 18PHE SC3 43 1.613 7.033 1.118 19GLU BB 44 1.281 7.058 0.429 19GLU SC1 45 1.190 6.686 0.575 20SER BB 46 1.072 7.226 0.266 20SER SC1 47 0.882 7.262 0.422 21THR BB 48 1.258 7.471 0.212 21THR SC1 49 1.264 7.585 0.452 22GLY BB 50 1.478 7.318 0.057 23SER BB 51 1.295 7.231 -0.172 23SER SC1 52 1.110 7.098 -0.075 24GLN BB 53 1.221 7.520 -0.273 24GLN SC1 54 0.940 7.750 -0.105 25GLU BB 55 1.513 7.616 -0.352 25GLU SC1 56 1.748 7.640 -0.019 26GLN BB 57 1.573 7.403 -0.578 26GLN SC1 58 1.681 7.026 -0.508 27LYS BB 59 1.346 7.485 -0.776 27LYS SC1 60 1.119 7.275 -0.706 27LYS SC2 61 1.136 7.098 -0.951 28SER BB 62 1.450 7.776 -0.824 28SER SC1 63 1.446 7.899 -0.602 29GLY BB 64 1.727 7.699 -0.940 30VAL BB 65 1.616 7.555 -1.180 30VAL SC1 66 1.557 7.303 -1.130 31TRP BB 67 1.461 7.824 -1.274 31TRP SC1 68 1.184 7.763 -1.110 31TRP SC2 69 1.065 7.587 -1.109 31TRP SC3 70 1.021 7.843 -0.869 31TRP SC4 71 0.899 7.656 -0.854 10.00000 10.00000 10.00000