#<> indicates an element of the format #{} indicates optional #[n] indicates width of n #* indicates that many may be added sequentially #other are string literals #a, b, c, and d represent the four atom names of a dihedral #A, B, C, and D represent the four Karplus constants described in Chou et al. JACS (2003) 125 p.8959-8966 #if optional type is C, then the Karplus function specified in Perez et al. JACS (2001) 123 p.7081-7093 will be used, and A, B, and C will be taken as C0, C1, and C2 # #{type}<+/-/ ><+/-/ ><+/-/ ><+/-/ >{} #* #)* # C HA CA CB HB 5.40 -1.37 3.61 ILE VAL C HA CA CB HB 4.42 -1.37 3.61 THR C HA CA CB HB2 6.63 -1.37 3.61 ALA C HA CA CB HB2 6.01 -1.37 3.61 ARG ASP ASN ASH GLN GLU GLH HIE HID HIP LEU LYS MET PHE PRO TRP TYR C HA CA CB HB2 5.32 -1.37 3.61 CYS CYX C HA CA CB HB2 5.03 -1.37 3.61 SER C HA CA CB HB3 6.63 -1.37 3.61 ALA C HA CA CB HB3 6.01 -1.37 3.61 ARG ASP ASN ASH GLN GLU GLH HIE HID HIP LEU LYS MET PHE PRO TRP TYR C HA CA CB HB3 5.32 -1.37 3.61 CYS CYX C HA CA CB HB3 5.03 -1.37 3.61 SER C N CA CB HB 2.08 -0.75 1.15 ILE VAL C N CA CB HB 1.77 -0.75 1.15 THR C N CA CB HB2 2.47 -0.75 1.15 ALA C N CA CB HB2 2.28 -0.75 1.15 ARG ASP ASN ASH GLU GLN GLH HIE HID HIP LEU LYS MET PHE TRP TYR C N CA CB HB2 2.23 -0.75 1.15 PRO C N CA CB HB2 2.06 -0.75 1.15 CYS CYX C N CA CB HB2 1.97 -0.75 1.15 SER C N CA CB HB3 2.47 -0.75 1.15 ALA C N CA CB HB3 2.28 -0.75 1.15 ARG ASP ASN ASH GLU GLN GLH HIE HID HIP LEU LYS MET PHE TRP TYR C N CA CB HB3 2.23 -0.75 1.15 PRO C N CA CB HB3 2.06 -0.75 1.15 CYS CYX C N CA CB HB3 1.97 -0.75 1.15 SER C C CA CB HB 3.11 -1.58 2.01 ILE VAL C C CA CB HB 2.62 -1.58 2.01 THR C C CA CB HB2 3.72 -1.58 2.01 ALA C C CA CB HB2 3.41 -1.58 2.01 ARG ASP ASN ASH GLU GLN GLH HIE HID HIP LEU LYS MET PHE PRO TRP TYR C C CA CB HB2 3.07 -1.58 2.01 CYS CYX C C CA CB HB2 2.92 -1.58 2.01 SER C C CA CB HB3 3.72 -1.58 2.01 ALA C C CA CB HB3 3.41 -1.58 2.01 ARG ASP ASN ASH GLU GLN GLH HIE HID HIP LEU LYS MET PHE PRO TRP TYR C C CA CB HB3 3.07 -1.58 2.01 CYS CYX C C CA CB HB3 2.92 -1.58 2.01 SER C HA CA CB CG 5.09 -0.96 2.67 ASN C HA CA CB CG 4.48 -0.96 2.67 ASP C HA CA CB CG 4.32 -0.96 2.67 HIE HID HIP C HA CA CB CG 3.57 -0.96 2.67 MET C HA CA CB CG 3.49 -0.96 2.67 ARG GLU GLN GLH LYS PRO C HA CA CB CG 3.41 -0.96 2.67 LEU C HA CA CB CG 3.33 -0.96 2.67 PHE TRP TYR C HA CA CB CG1 3.26 -0.96 2.67 VAL C HA CA CB CG2 3.26 -0.96 2.67 VAL C HA CA CB CG2 3.18 -0.96 2.67 ILE C HA CA CB CG2 2.77 -0.96 2.67 THR C N CA CB CG 1.54 -0.49 0.65 ASN C N CA CB CG 1.35 -0.49 0.65 ASP C N CA CB CG 1.30 -0.49 0.65 HIE HID HIP C N CA CB CG 1.06 -0.49 0.65 MET C N CA CB CG 1.03 -0.49 0.65 ARG GLU GLN GLH LYS C N CA CB CG 1.01 -0.49 0.65 LEU PRO C N CA CB CG 0.98 -0.49 0.65 PHE TRP TYR N CA CB CG1 2.64 0.26 -0.22 6 VAL N CA CB CG2 2.64 0.26 -0.22 6 VAL N CA CB CG2 2.64 0.26 -0.22 6 ILE N CA CB CG2 2.01 0.21 -0.12 7 THR C C CA CB CG 2.52 -0.87 1.15 ASN C C CA CB CG 2.22 -0.87 1.15 ASP C C CA CB CG 2.14 -0.87 1.15 HIE HID HIP C C CA CB CG 1.76 -0.87 1.15 MET C C CA CB CG 1.72 -0.87 1.15 ARG GLU GLN GLH LYS PRO C C CA CB CG 1.68 -0.87 1.15 LEU C C CA CB CG 1.64 -0.87 1.15 PHE TRP TYR C CA CB CG1 3.42 -0.59 0.17 5 VAL C CA CB CG2 3.42 -0.59 0.17 5 VAL C CA CB CG2 3.42 -0.59 0.17 5 ILE C CA CB CG2 2.76 -0.67 0.19 17 THR