Getting the Right Output Means no Artefacts in Calculating Stuff 88 1LYS BB 1 2.356 4.731 0.800 1LYS SC1 2 2.343 4.471 0.622 1LYS SC2 3 2.047 4.404 0.641 1LYS SCD 4 2.037 4.404 0.645 2MET BB 5 2.466 4.885 1.062 2MET SC1 6 2.878 4.845 1.027 3LYS BB 7 2.240 5.102 1.094 3LYS SC1 8 2.395 5.317 0.927 3LYS SC2 9 2.659 5.344 1.089 3LYS SCD 10 2.659 5.349 1.079 4ALA BB 11 2.000 4.889 1.108 5VAL BB 12 2.128 4.791 1.395 5VAL SC1 13 2.296 4.593 1.350 6MET BB 14 2.129 5.066 1.553 6MET SC1 15 2.497 5.232 1.451 7ILE BB 16 1.822 5.122 1.561 7ILE SC1 17 1.758 5.300 1.342 8GLY BB 18 1.751 4.865 1.714 9ALA BB 19 1.955 4.920 1.949 10CYS BB 20 1.764 5.181 2.030 10CYS SC1 21 1.807 5.443 1.949 11PHE BB 22 1.483 5.047 2.076 11PHE SC1 23 1.392 4.996 1.761 11PHE SC2 24 1.396 4.755 1.755 11PHE SC3 25 1.403 4.823 1.542 12LEU BB 26 1.567 4.860 2.314 12LEU SC1 27 1.686 4.590 2.132 13ILE BB 28 1.644 5.084 2.512 13ILE SC1 29 1.930 5.124 2.499 14ASP0 BB 30 1.360 5.213 2.515 14ASP0 SC1 31 1.434 5.425 2.296 15PHE BB 32 1.197 4.968 2.637 15PHE SC1 33 1.196 4.752 2.390 15PHE SC2 34 1.343 4.596 2.502 15PHE SC3 35 1.337 4.533 2.288 16MET BB 36 1.349 4.948 2.917 16MET SC1 37 1.684 4.720 2.821 17PHE BB 38 1.274 5.230 3.043 17PHE SC1 39 1.461 5.426 2.855 17PHE SC2 40 1.281 5.526 2.728 17PHE SC3 41 1.469 5.569 2.615 18PHE BB 42 0.962 5.187 3.055 18PHE SC1 43 0.882 5.204 2.736 18PHE SC2 44 0.819 4.972 2.712 18PHE SC3 45 0.845 5.051 2.505 19GLU BB 46 0.962 4.940 3.252 19GLU SC1 47 1.142 4.620 3.071 19GLU SCD 48 1.148 4.618 3.080 20SER BB 49 1.090 5.081 3.502 20SER SC1 50 1.310 5.166 3.423 20SER SCD 51 1.314 5.179 3.420 20SER SCD 52 1.305 5.153 3.425 21THR BB 53 0.864 5.292 3.544 21THR SC1 54 0.910 5.458 3.342 21THR SCD 55 0.907 5.448 3.351 21THR SCD 56 0.914 5.468 3.332 22GLY BB 57 0.633 5.091 3.591 23SER BB 58 0.754 4.967 3.842 23SER SC1 59 0.975 4.873 3.782 23SER SCD 60 0.971 4.886 3.788 23SER SCD 61 0.979 4.861 3.777 24GLN BB 62 0.755 5.228 4.017 24GLN SC1 63 1.036 5.511 3.993 24GLN SCD 64 1.045 5.507 4.003 24GLN SCD 65 1.028 5.515 3.982 25GLU BB 66 0.442 5.282 4.020 25GLU SC1 67 0.310 5.365 3.642 25GLU SCD 68 0.303 5.367 3.651 26GLN BB 69 0.351 5.018 4.169 26GLN SC1 70 0.321 4.660 3.995 26GLN SCD 71 0.309 4.657 3.989 26GLN SCD 72 0.333 4.664 4.001 27LYS BB 73 0.499 5.069 4.439 27LYS SC1 74 0.764 4.897 4.402 27LYS SC2 75 0.703 4.667 4.589 27LYS SCD 76 0.708 4.671 4.580 28SER BB 77 0.345 5.331 4.510 28SER SC1 78 0.395 5.502 4.329 28SER SCD 79 0.383 5.500 4.323 28SER SCD 80 0.407 5.505 4.336 29GLY BB 81 0.061 5.209 4.517 30VAL BB 82 0.119 5.021 4.746 30VAL SC1 83 0.224 4.793 4.668 31TRP BB 84 0.200 5.272 4.935 31TRP SC1 85 0.519 5.271 4.856 31TRP SC2 86 0.656 5.110 4.855 31TRP SC3 87 0.731 5.418 4.697 31TRP SC4 88 0.877 5.249 4.683 10.00000 10.00000 10.00000