Getting the Right Output Means no Artefacts in Calculating Stuff 89 1LYS BB 1 6.995 7.768 7.636 1LYS SC1 2 7.148 7.777 7.911 1LYS SC2 3 7.428 7.697 7.822 1LYS SCD 4 7.427 7.689 7.830 2MET BB 5 6.764 7.641 7.448 2MET SC1 6 6.422 7.687 7.679 3LYS BB 7 6.883 7.709 7.165 3LYS SC1 8 6.725 7.979 7.143 3LYS SC2 9 6.431 7.882 7.166 3LYS SCD 10 6.423 7.887 7.160 4ALA BB 11 7.163 7.561 7.217 5VAL BB 12 6.993 7.280 7.222 5VAL SC1 13 6.923 7.227 7.471 6MET BB 14 6.851 7.295 6.939 6MET SC1 15 6.500 7.503 7.020 7ILE BB 16 7.103 7.289 6.755 7ILE SC1 17 7.169 7.563 6.686 8GLY BB 18 7.204 7.016 6.854 9ALA BB 19 6.932 6.868 6.798 10CYS BB 20 6.989 6.922 6.473 10CYS SC1 21 6.888 7.135 6.326 11PHE BB 22 7.270 6.786 6.432 11PHE SC1 23 7.466 7.014 6.571 11PHE SC2 24 7.544 6.891 6.762 11PHE SC3 25 7.582 7.106 6.808 12LEU BB 26 7.184 6.493 6.508 12LEU SC1 27 7.224 6.513 6.853 13ILE BB 28 6.979 6.454 6.280 13ILE SC1 29 6.715 6.513 6.383 14ASP BB 30 7.189 6.492 6.049 14ASP SC1 31 7.333 6.713 5.939 14ASP SCD 32 7.342 6.708 5.937 15PHE BB 33 7.376 6.246 6.115 15PHE SC1 34 7.526 6.337 6.393 15PHE SC2 35 7.412 6.173 6.529 15PHE SC3 36 7.505 6.318 6.670 16MET BB 37 7.160 6.014 6.073 16MET SC1 38 6.968 6.004 6.443 17PHE BB 39 7.094 6.053 5.765 17PHE SC1 40 6.921 6.333 5.780 17PHE SC2 41 7.087 6.476 5.679 17PHE SC3 42 6.941 6.611 5.781 18PHE BB 43 7.382 5.991 5.654 18PHE SC1 44 7.547 6.260 5.748 18PHE SC2 45 7.688 6.151 5.910 18PHE SC3 46 7.703 6.369 5.952 19GLU BB 47 7.404 5.693 5.758 19GLU SC1 48 7.406 5.690 6.167 19GLU SCD 49 7.414 5.685 6.161 20SER BB 50 7.165 5.570 5.594 20SER SC1 51 6.966 5.703 5.662 20SER SCD 52 6.958 5.709 5.671 20SER SCD 53 6.973 5.696 5.652 21THR BB 54 7.283 5.627 5.311 21THR SC1 55 7.249 5.891 5.293 21THR SCD 56 7.251 5.904 5.296 21THR SCD 57 7.247 5.877 5.289 22GLY BB 58 7.541 5.459 5.343 23SER BB 59 7.396 5.193 5.381 23SER SC1 60 7.249 5.214 5.579 23SER SCD 61 7.241 5.224 5.584 23SER SCD 62 7.257 5.203 5.573 24GLN BB 63 7.254 5.187 5.100 24GLN SC1 64 6.916 5.385 5.017 24GLN SCD 65 6.930 5.380 5.019 24GLN SCD 66 6.903 5.389 5.016 25GLU BB 67 7.513 5.184 4.918 25GLU SC1 68 7.721 5.533 4.963 25GLU SCD 69 7.722 5.538 4.953 26GLN BB 70 7.636 4.909 5.016 26GLN SC1 71 7.836 4.860 5.357 26GLN SCD 72 7.847 4.869 5.354 26GLN SCD 73 7.826 4.852 5.359 27LYS BB 74 7.404 4.723 4.922 27LYS SC1 75 7.237 4.687 5.189 27LYS SC2 76 7.310 4.401 5.257 27LYS SCD 77 7.302 4.407 5.264 28SER BB 78 7.431 4.790 4.618 28SER SC1 79 7.386 5.038 4.588 28SER SCD 80 7.389 5.024 4.589 28SER SCD 81 7.382 5.051 4.587 29GLY BB 82 7.722 4.692 4.582 30VAL BB 83 7.662 4.405 4.651 30VAL SC1 84 7.669 4.358 4.911 31TRP BB 85 7.447 4.389 4.409 31TRP SC1 86 7.189 4.484 4.587 31TRP SC2 87 7.120 4.410 4.774 31TRP SC3 88 7.001 4.715 4.639 31TRP SC4 89 6.931 4.650 4.841 10.00000 10.00000 10.00000