Getting the Right Output Means no Artefacts in Calculating Stuff 48 1LYS BB 1 1.249 4.166 4.298 1LYS SC1 2 1.376 4.375 4.099 1LYS SC2 3 1.302 4.251 3.831 1LYS SCD 4 1.307 4.247 3.840 2MET BB 5 1.284 3.951 4.531 2MET SC1 6 1.491 4.155 4.825 3LYS BB 7 1.024 3.782 4.486 3LYS SC1 8 0.857 3.943 4.693 3LYS SC2 9 1.022 3.901 4.953 3LYS SCD 10 1.023 3.905 4.943 4ALA BB 11 1.086 3.716 4.179 5VAL BB 12 1.338 3.537 4.286 5VAL SC1 13 1.555 3.685 4.295 6MET BB 14 1.188 3.338 4.479 6MET SC1 15 1.183 3.538 4.842 7ILE BB 16 1.005 3.192 4.274 7ILE SC1 17 0.746 3.317 4.274 8GLY BB 18 1.236 3.083 4.105 9ALA BB 19 1.382 2.946 4.347 10CYS BB 20 1.122 2.741 4.366 10CYS SC1 21 0.902 2.769 4.532 11PHE BB 22 1.117 2.613 4.080 11PHE SC1 23 0.988 2.862 3.906 11PHE SC2 24 1.178 2.921 3.770 11PHE SC3 25 1.041 3.097 3.766 12LEU BB 26 1.399 2.477 4.090 12LEU SC1 27 1.595 2.742 3.988 13ILE BB 28 1.339 2.285 4.323 13ILE SC1 29 1.434 2.401 4.569 14ASP0 BB 30 1.109 2.134 4.174 14ASP0 SC1 31 0.859 2.197 4.113 15PHE BB 32 1.275 2.016 3.935 15PHE SC1 33 1.347 2.277 3.753 15PHE SC2 34 1.582 2.272 3.804 15PHE SC3 35 1.542 2.472 3.715 16MET BB 36 1.475 1.835 4.104 16MET SC1 37 1.771 2.103 4.216 17PHE BB 38 1.271 1.632 4.235 17PHE SC1 39 1.124 1.828 4.453 17PHE SC2 40 0.912 1.845 4.340 17PHE SC3 41 0.918 2.013 4.487 18PHE BB 42 1.165 1.502 3.970 18PHE SC1 43 0.986 1.744 3.843 18PHE SC2 44 1.130 1.789 3.654 18PHE SC3 45 0.995 1.967 3.674 19GLU BB 46 1.434 1.416 3.928 19GLU SC1 47 1.702 1.681 3.787 19GLU SCD 48 1.706 1.676 3.778 9.00000 9.00000 9.00000