Getting the Right Output Means no Artefacts in Calculating Stuff 71 1LYS BB 1 -0.954 -0.509 1.928 0.0000 0.0000 0.0000 1LYS SC1 2 -1.133 -0.316 2.101 0.0000 0.0000 0.0000 1LYS SC2 3 -1.294 -0.178 1.883 0.0000 0.0000 0.0000 2MET BB 4 -0.662 -0.602 1.827 0.0000 0.0000 0.0000 2MET SC1 5 -0.459 -0.673 2.183 0.0000 0.0000 0.0000 3LYS BB 6 -0.741 -0.741 1.556 0.0000 0.0000 0.0000 3LYS SC1 7 -0.765 -1.025 1.686 0.0000 0.0000 0.0000 3LYS SC2 8 -0.479 -1.066 1.801 0.0000 0.0000 0.0000 4ALA BB 9 -0.890 -0.482 1.437 0.0000 0.0000 0.0000 5VAL BB 10 -0.594 -0.339 1.427 0.0000 0.0000 0.0000 5VAL SC1 11 -0.555 -0.208 1.653 0.0000 0.0000 0.0000 6MET BB 12 -0.436 -0.549 1.250 0.0000 0.0000 0.0000 6MET SC1 13 -0.290 -0.819 1.531 0.0000 0.0000 0.0000 7ILE BB 14 -0.598 -0.526 0.985 0.0000 0.0000 0.0000 7ILE SC1 15 -0.795 -0.739 0.982 0.0000 0.0000 0.0000 8GLY BB 16 -0.542 -0.227 0.943 0.0000 0.0000 0.0000 9ALA BB 17 -0.229 -0.258 0.965 0.0000 0.0000 0.0000 10CYS BB 18 -0.244 -0.432 0.681 0.0000 0.0000 0.0000 10CYS SC1 19 -0.257 -0.709 0.663 0.0000 0.0000 0.0000 11PHE BB 20 -0.382 -0.228 0.485 0.0000 0.0000 0.0000 11PHE SC1 21 -0.696 -0.250 0.591 0.0000 0.0000 0.0000 11PHE SC2 22 -0.723 -0.029 0.683 0.0000 0.0000 0.0000 11PHE SC3 23 -0.886 -0.155 0.772 0.0000 0.0000 0.0000 12LEU BB 24 -0.160 -0.005 0.497 0.0000 0.0000 0.0000 12LEU SC1 25 -0.269 0.164 0.780 0.0000 0.0000 0.0000 13ILE BB 26 0.069 -0.175 0.377 0.0000 0.0000 0.0000 13ILE SC1 27 0.226 -0.283 0.594 0.0000 0.0000 0.0000 14ASP BB 28 -0.077 -0.225 0.102 0.0000 0.0000 0.0000 14ASP SC1 29 -0.297 -0.385 0.016 0.0000 0.0000 0.0000 15PHE BB 30 -0.097 0.074 0.004 0.0000 0.0000 0.0000 15PHE SC1 31 -0.322 0.204 0.206 0.0000 0.0000 0.0000 15PHE SC2 32 -0.163 0.346 0.320 0.0000 0.0000 0.0000 15PHE SC3 33 -0.348 0.345 0.446 0.0000 0.0000 0.0000 16MET BB 34 0.215 0.138 -0.011 0.0000 0.0000 0.0000 16MET SC1 35 0.304 0.242 0.383 0.0000 0.0000 0.0000 17PHE BB 36 0.304 -0.070 -0.234 0.0000 0.0000 0.0000 17PHE SC1 37 0.279 -0.350 -0.062 0.0000 0.0000 0.0000 17PHE SC2 38 0.084 -0.437 -0.174 0.0000 0.0000 0.0000 17PHE SC3 39 0.104 -0.554 0.015 0.0000 0.0000 0.0000 18PHE BB 40 0.131 0.047 -0.469 0.0000 0.0000 0.0000 18PHE SC1 41 -0.172 -0.042 -0.376 0.0000 0.0000 0.0000 18PHE SC2 42 -0.253 0.181 -0.332 0.0000 0.0000 0.0000 18PHE SC3 43 -0.398 0.042 -0.234 0.0000 0.0000 0.0000 19GLU BB 44 0.265 0.333 -0.481 0.0000 0.0000 0.0000 19GLU SC1 45 0.186 0.535 -0.134 0.0000 0.0000 0.0000 20SER BB 46 0.557 0.244 -0.557 0.0000 0.0000 0.0000 20SER SC1 47 0.627 0.090 -0.375 0.0000 0.0000 0.0000 21THR BB 48 0.484 0.114 -0.832 0.0000 0.0000 0.0000 21THR SC1 49 0.364 -0.110 -0.752 0.0000 0.0000 0.0000 22GLY BB 50 0.368 0.368 -0.965 0.0000 0.0000 0.0000 23SER BB 51 0.628 0.527 -0.952 0.0000 0.0000 0.0000 23SER SC1 52 0.697 0.544 -0.715 0.0000 0.0000 0.0000 24GLN BB 53 0.799 0.334 -1.133 0.0000 0.0000 0.0000 24GLN SC1 54 0.971 -0.002 -1.001 0.0000 0.0000 0.0000 25GLU BB 55 0.628 0.359 -1.400 0.0000 0.0000 0.0000 25GLU SC1 56 0.255 0.205 -1.342 0.0000 0.0000 0.0000 26GLN BB 57 0.669 0.669 -1.452 0.0000 0.0000 0.0000 26GLN SC1 58 0.473 0.958 -1.261 0.0000 0.0000 0.0000 27LYS BB 59 0.979 0.665 -1.491 0.0000 0.0000 0.0000 27LYS SC1 60 1.082 0.750 -1.203 0.0000 0.0000 0.0000 27LYS SC2 61 1.175 1.032 -1.263 0.0000 0.0000 0.0000 28SER BB 62 0.977 0.478 -1.741 0.0000 0.0000 0.0000 28SER SC1 63 0.877 0.255 -1.672 0.0000 0.0000 0.0000 29GLY BB 64 0.807 0.660 -1.925 0.0000 0.0000 0.0000 30VAL BB 65 1.006 0.887 -1.928 0.0000 0.0000 0.0000 30VAL SC1 66 0.978 1.051 -1.724 0.0000 0.0000 0.0000 31TRP BB 67 1.233 0.689 -2.049 0.0000 0.0000 0.0000 31TRP SC1 68 1.351 0.592 -1.759 0.0000 0.0000 0.0000 31TRP SC2 69 1.412 0.709 -1.593 0.0000 0.0000 0.0000 31TRP SC3 70 1.359 0.360 -1.564 0.0000 0.0000 0.0000 31TRP SC4 71 1.413 0.478 -1.382 0.0000 0.0000 0.0000 0.00000 0.00000 0.00000