atom_order ========== 氨基酸所有原子名称及对应的索引值,键是原子名称,值是对应的索引。 +-----+-------+ | key | value | +=====+=======+ | N | 0 | +-----+-------+ | CA | 1 | +-----+-------+ | C | 2 | +-----+-------+ | CB | 3 | +-----+-------+ | O | 4 | +-----+-------+ | CG | 5 | +-----+-------+ | CG1 | 6 | +-----+-------+ | CG2 | 7 | +-----+-------+ | OG | 8 | +-----+-------+ | OG1 | 9 | +-----+-------+ | SG | 10 | +-----+-------+ | CD | 11 | +-----+-------+ | CD1 | 12 | +-----+-------+ | CD2 | 13 | +-----+-------+ | ND1 | 14 | +-----+-------+ | ND2 | 15 | +-----+-------+ | OD1 | 16 | +-----+-------+ | OD2 | 17 | +-----+-------+ | SD | 18 | +-----+-------+ | CE | 19 | +-----+-------+ | CE1 | 20 | +-----+-------+ | CE2 | 21 | +-----+-------+ | CE3 | 22 | +-----+-------+ | NE | 23 | +-----+-------+ | NE1 | 24 | +-----+-------+ | NE2 | 25 | +-----+-------+ | OE1 | 26 | +-----+-------+ | OE2 | 27 | +-----+-------+ | CH2 | 28 | +-----+-------+ | NH1 | 29 | +-----+-------+ | NH2 | 30 | +-----+-------+ | OH | 31 | +-----+-------+ | CZ | 32 | +-----+-------+ | CZ2 | 33 | +-----+-------+ | CZ3 | 34 | +-----+-------+ | NZ | 35 | +-----+-------+ | OXT | 36 | +-----+-------+