protein_atom_chemical_codes_v1.txt

Residue	Atom 	Code 
ALA		C	1
		N	2
		O	3
		CA	4
		CB	4

VAL		C	1
		N	2
		O	3
		CA	4
		CB	4
		CG1	4
		CG2	4

LEU		C	1
		N	2
		O	3
		CA	4
		CB	4
		CG	4
		CD1	4
		CD2	4

ILE		C	1
		N	2
		O	3
		CA	4
		CB	4
		CG1	4
		CG2	4
		CD1	4

MET		C	1
		N	2
		O	3
		CA	4
		CB	4
		CG	4
		SD	5
		CE	4

PRO		C	1
		N	2
		O	3
		CA	4
		CB	4
		CG	4
		CD	4

PHE		C	1
		N	2
		O	3
		CA	4
		CB	4
		CG	6
		CD1	6
		CD2	6
		CE1	6
		CE2	6
		CZ	6

TRP		C	1
		N	2
		O	3
		CA	4
		CB	4
		CG	6
		CD1	6
		CD2	6
		NE1	2
		CE2	6
		CE3	6
		CZ2	6
		CZ3	6
		CH2	6

SER		C	1
		N	2
		O	3
		CA	4
		CB	4
		OG	7

THR		C	1
		N	2
		O	3
		CA	4
		CB	4
		OG1	7
		CG2	4

CYS		C	1
		N	2
		O	3
		CA	4
		CB	4
		SG	8

ASN		C	1
		N	2
		O	3
		CA	4
		CB	4
		CG	1
		OD1	3
		ND2	2

GLN		C	1
		N	2
		O	3
		CA	4
		CB	4
		CG	4
		CD	1
		OE1	3
		NE2	2

TYR		C	1
		N	2
		O	3
		CA	4
		CB	4
		CG	6
		CD1	6
		CD2	6
		CE1	6
		CE2	6
		CZ	6
		OH	7

ASP		C	1
		N	2
		O	3
		CA	4
		CB	4
		CG	1
		OD1	9
		OD2	9

GLU		C	1
		N	2
		O	3
		CA	4
		CB	4
		CG	4
		CD	1
		OE1	9
		OE2	9

HIS		C	1
		N	2
		O	3
		CA	4
		CB	4
		CG	6
		CD1	6
		ND1	10
		CE1	6
		NE2	10

LYS		C	1
		N	2
		O	3
		CA	4
		CB	4
		CG	4
		CD	4
		CE	4
		NZ	11

ARG		C	1
		N	2
		O	3
		CA	4
		CB	4
		CG	4
		CD	4
		NE	12
		CZ	13
		NH1	12
		NH2	12

GLY		C	1
		N	2
		O	3
		CA	4

Last residue	OXT	9

HOH		O	7

FMN or FAD	N1	14
		C2	1
		O2	3
		N3	2
		C4	1
		O4	3
		C4X	15
		N5	14
		C5X	6
		C6	6
		C7	6
		C7M	4
		C8	6
		C8M	4
		C9	6
		C9A	6
		N10	2
		C10	15