# for residue typefile in CHC_basic.rd # ---------------- Sum ---------------- ---------- from outfile ----------- # atomtype num mean dev min max num mean dev min max C3 18202 9.510 0.809 7.284 13.624 33 9.645 0.488 8.985 10.572 C3H 4916 20.992 1.934 14.821 30.853 16 21.004 0.476 20.217 21.859 C4H 14982 13.847 1.985 6.145 32.973 25 13.891 2.004 13.010 23.380 C4HH 6116 23.563 2.085 16.162 32.507 26 23.640 0.733 22.907 26.296 C4HHH 4788 36.655 3.051 20.653 49.706 9 36.584 0.627 35.729 37.739 CPRO 182 23.478 2.063 18.964 29.291 1 23.478 0.000 23.478 23.478 N3 176 14.262 1.780 9.171 21.131 1 14.262 0.000 14.262 14.262 N3H 14871 13.684 1.702 7.221 26.646 24 13.964 1.422 8.815 16.971 N3HH 312 23.255 2.881 13.940 32.365 4 23.302 0.334 22.778 23.709 N4HHH 24 20.446 2.292 15.048 25.458 1 20.446 0.000 20.446 20.446 O1 10195 15.831 1.504 9.050 28.190 23 15.857 0.275 15.550 16.851 O1O2H 455 15.786 1.965 11.830 23.215 4 15.950 0.485 15.564 16.753 O2H 694 17.490 2.164 12.501 24.696 3 17.542 0.206 17.342 17.825 S2 398 30.188 2.856 23.533 37.971 2 30.195 1.365 28.830 31.560 S2H 53 38.165 3.145 28.429 46.197 1 38.165 0.000 38.165 38.165 # resfile num Sumdev Sumdev # Totals 15 1.771 1.034