Getting the Right Output Means no Artefacts in Calculating Stuff 48 1LYS BB 1 3.821 -1.328 8.853 1LYS SC1 2 3.723 -1.352 9.151 1LYS SC2 3 3.556 -1.098 9.176 1LYS SCD 4 3.566 -1.100 9.173 2MET BB 5 4.060 -1.302 8.642 2MET SC1 6 4.309 -1.619 8.734 3LYS BB 7 3.904 -1.174 8.402 3LYS SC1 8 3.846 -1.447 8.265 3LYS SC2 9 4.133 -1.557 8.219 3LYS SCD 10 4.127 -1.553 8.227 4ALA BB 11 3.793 -0.925 8.570 5VAL BB 12 4.103 -0.823 8.591 5VAL SC1 13 4.214 -0.918 8.809 6MET BB 14 4.178 -0.807 8.285 6MET SC1 15 4.315 -1.187 8.196 7ILE BB 16 3.977 -0.588 8.193 7ILE SC1 17 3.744 -0.715 8.083 8GLY BB 18 4.085 -0.371 8.381 9ALA BB 19 4.382 -0.398 8.281 10CYS BB 20 4.278 -0.281 7.989 10CYS SC1 21 4.204 -0.432 7.768 11PHE BB 22 4.152 -0.005 8.068 11PHE SC1 23 3.867 -0.105 8.202 11PHE SC2 24 3.905 -0.044 8.431 11PHE SC3 25 3.740 -0.195 8.433 12LEU BB 26 4.412 0.127 8.183 12LEU SC1 27 4.400 0.008 8.506 13ILE BB 28 4.573 0.125 7.920 13ILE SC1 29 4.745 -0.106 7.916 14ASP0 BB 30 4.372 0.307 7.764 14ASP0 SC1 31 4.132 0.267 7.660 15PHE BB 32 4.396 0.567 7.940 15PHE SC1 33 4.248 0.485 8.219 15PHE SC2 34 4.452 0.485 8.349 15PHE SC3 35 4.299 0.381 8.473 16MET BB 36 4.705 0.626 7.892 16MET SC1 37 4.890 0.383 8.172 17PHE BB 38 4.705 0.677 7.580 17PHE SC1 39 4.656 0.373 7.469 17PHE SC2 40 4.429 0.405 7.393 17PHE SC3 41 4.460 0.184 7.409 18PHE BB 42 4.520 0.930 7.580 18PHE SC1 43 4.228 0.800 7.651 18PHE SC2 44 4.207 0.899 7.870 18PHE SC3 45 4.057 0.734 7.861 19GLU BB 46 4.722 1.055 7.738 19GLU SC1 47 4.741 0.968 8.131 19GLU SCD 48 4.740 0.978 8.135 9.00000 9.00000 9.00000