ACE     1       
3	4	HH3	CH3	C	O
AIB     3       
1	1	H	N	-C	CA
3	4	HB1	CB1	CA	N
3	4	HB2	CB2	CA	N
ALA     3       
1	1	H	N	-C	CA
1	5	HA	CA	N	C	CB
3	4	HB	CB	CA	N
ARG     8       
1	1	H	N	-C	CA
1	5	HA	CA	N	C	CB
2	6	HB	CB	CG	CA
2	6	HG	CG	CD	CB
2	6	HD	CD	NE	CG
1	1	HE	NE	CD	CZ
2	3	HH1	NH1	CZ	NE
2	3	HH2	NH2	CZ	NE
ARGN    8       
1	1	H	N	-C	CA
1	5	HA	CA	N	C	CB
2	6	HB	CB	CG	CA
2	6	HG	CG	CD	CB
2	6	HD	CD	NE	CG
1	1	HE	NE	CD	CZ
1	2	HH1	NH1	CZ	NE
2	3	HH2	NH2	CZ	NE
ASN     4       
1	1	H	N	-C	CA
1	5	HA	CA	N	C	CB
2	6	HB	CB	CG	CA
2	3	HD2	ND2	CG	CB
ASP     3       
1	1	H	N	-C	CA
1	5	HA	CA	N	C	CB
2	6	HB	CB	CG	CA
ASPH    4       
1	1	H	N	-C	CA
1	5	HA	CA	N	C	CB
2	6	HB	CB	CG	CA
1	2	HD2	OD2	CG	CB
CYS2    3       
1	1	H	N	-C	CA
1	5	HA	CA	N	C	CB
2	6	HB	CB	SG	CA
CYSH    4       
1	1	H	N	-C	CA
1	5	HA	CA	N	C	CB
2	6	HB	CB	SG	CA
1	2	HG	SG	CB	CA
GLN     5       
1	1	H	N	-C	CA
1	5	HA	CA	N	C	CB
2	6	HB	CB	CG	CA
2	6	HG	CG	CD	CB
2	3	HE2	NE2	CD	CG
QLN	6
1	1	H	N	-C	CA
1	5	HA	CA	N	C	CB
2	6	HB	CB	CG	CA
2	6	HG	CG	CD	CB
2	3	HE2	NE2	CD	CG
1	3	HE1	OE1	CD	CG
GLU     4       
1	1	H	N	-C	CA
1	5	HA	CA	N	C	CB
2	6	HB	CB	CG	CA
2	6	HG	CG	CD	CB
PGLU    4       
1	1	H	N	CD	CA
1	5	HA	CA	N	C	CB
2	6	HB	CB	CG	CA
2	6	HG	CG	CD	CB
GLUH    5       
1	1	H	N	-C	CA
1	5	HA	CA	N	C	CB
2	6	HB	CB	CG	CA
2	6	HG	CG	CD	CB
1	2	HE2	OE2	CD	CG
GLY     2       
1	1	H	N	-C	CA
2	6	HA	CA	C	N
HIS1    6       
1	1	H	N	-C	CA
1	5	HA	CA	N	C	CB
2	6	HB	CB	CG	CA
1	1	HD2	CD2	CG	NE2
1	1	HE1	CE1	ND1	NE2
1	1	HD1	ND1	CG	CE1
HISA    6       
1	1	H	N	-C	CA
1	5	HA	CA	N	C	CB
2	6	HB	CB	CG	CA
1	1	HD2	CD2	CG	NE2
1	1	HE1	CE1	ND1	NE2
1	1	HD1	ND1	CG	CE1
HISB    6       
1	1	H	N	-C	CA
2	6	HB	CB	CG	CA
1	5	HA	CA	N	C	CB
1	1	HE2	NE2	CE1	CD2
1	1	HD2	CD2	CG	NE2
1	1	HE1	CE1	ND1	NE2
HISH    7       
1	1	H	N	-C	CA
1	5	HA	CA	N	C	CB
2	6	HB	CB	CG	CA
1	1	HD2	CD2	CG	NE2
1	1	HE1	CE1	ND1	NE2
1	1	HD1	ND1	CG	CE1
1	1	HE2	NE2	CE1	CD2
HO4     1       
3	10	HW	OW
HO5     1       
4	11	HW	OW
HOH     1       
2	7	HW	OW
ILE     6       
1	1	H	N	-C	CA
1	5	HA	CA	N	C	CB
1	5	HB	CB	CA	CG1	CG2
2	6	HG1	CG1	CD	CB
3	4	HG2	CG2	CB	CA
3	4	HD	CD	CG1	CB
LEU     6       
1	1	H	N	-C	CA
1	5	HA	CA	N	C	CB
2	6	HB	CB	CG	CA
1	5	HG	CG	CB	CD1	CD2
3	4	HD1	CD1	CG	CB
3	4	HD2	CD2	CG	CB
LYS     7       
1	1	H	N	-C	CA
1	5	HA	CA	N	C	CB
2	6	HB	CB	CG	CA
2	6	HG	CG	CD	CB
2	6	HD	CD	CE	CG
2	6	HE	CE	NZ	CD
2	4	HZ	NZ	CE	CD
ALY     8       
1	1	H	N	-C	CA
1	5	HA	CA	N	C	CB
2	6	HB	CB	CG	CA
2	6	HG	CG	CD	CB
2	6	HD	CD	CE	CG
2	6	HE	CE	NZ	CD
1	1	HZ	NZ	CZ	CE
3	4	HH3	CH3	CZ	OZ
LYSH    7       
1	1	H	N	-C	CA
1	5	HA	CA	N	C	CB
2	6	HB	CB	CG	CA
2	6	HG	CG	CD	CB
2	6	HD	CD	CE	CG
2	6	HE	CE	NZ	CD
3	4	HZ	NZ	CE	CD
MET     5       
1	1	H	N	-C	CA
1	5	HA	CA	N	C	CB
2	6	HB	CB	CG	CA
2	6	HG	CG	SD	CB
3	4	HE	CE	SD	CG
MLZ     8       
1	1	H	N	-C	CA
1	5	HA	CA	N	C	CB
2	6	HB	CB	CG	CA
2	6	HG	CG	CD	CB
2	6	HD	CD	CE	CG
2	6	HE	CE	NZ	CD
2	6	HZ	NZ	CH3	CE
3       4       HH3     CH3     NZ      CE
MLY     9       						;added by DS
1	1	H	N	-C	CA
1	5	HA	CA	N	C	CB
2	6	HB	CB	CG	CA
2	6	HG	CG	CD	CB
2	6	HD	CD	CE	CG
2	6	HE	CE	NZ	CD
1	5	HZ1	NZ	CH2	CH3      CE
3       4       HH2     CH2     NZ      CE
3       4       HH3     CH3     NZ      CE
M3L     9       						;added by DS
1	1	H	N	-C	CA
1	5	HA	CA	N	C	CB
2	6	HB	CB	CG	CA
2	6	HG	CG	CD	CB
2	6	HD	CD	CE	CG
2	6	HE	CE	NZ	CD
3       4       HH1     CH1     NZ      CE
3       4       HH2     CH2     NZ      CE
3       4       HH3     CH3     NZ      CE
NAC     2       
1	1	H	N	-C	CH3
3	4	HH3	CH3	N	-C
NH2     1       
2	3	H	N	-C	-CA
PHE     8       
1	1	H	N	-C	CA
1	5	HA	CA	N	C	CB
2	6	HB	CB	CG	CA
1	1	HD1	CD1	CG	CE1
1	1	HD2	CD2	CG	CE2
1	1	HE1	CE1	CD1	CZ
1	1	HE2	CE2	CD2	CZ
1	1	HZ	CZ	CE1	CE2
PRO     4       
1	5	HA	CA	N	C	CB
2	6	HB	CB	CG	CA
2	6	HG	CG	CD	CB
2	6	HD	CD	N	CG
SER     4       
1	1	H	N	-C	CA
1	5	HA	CA	N	C	CB
2	6	HB	CB	OG	CA
1	2	HG	OG	CB	CA
SEP     3       
1	1	H	N	-C	CA
1	5	HA	CA	N	C	CB
2	6	HB	CB	OG	CA
THR     5       
1	1	H	N	-C	CA
1	5	HA	CA	N	C	CB
1	5	HB	CB	CA	OG1	CG2
1	2	HG1	OG1	CB	CA
3	4	HG2	CG2	CB	CA
TRP     9       
1	1	H	N	-C	CA
1	5	HA	CA	N	C	CB
2	6	HB	CB	CG	CA
1	1	HD1	CD1	NE1	CG
1	1	HE1	NE1	CD1	CE2
1	1	HE3	CE3	CD2	CZ3
1	1	HZ3	CZ3	CE3	CH2
1	1	HH2	CH2	CZ3	CZ2
1	1	HZ2	CZ2	CE2	CH2
TYR     8       
1	1	H	N	-C	CA
1	5	HA	CA	N	C	CB
2	6	HB	CB	CG	CA
1	1	HD1	CD1	CG	CE1
1	1	HD2	CD2	CG	CE2
1	1	HE1	CE1	CD1	CZ
1	1	HE2	CE2	CD2	CZ
1	2	HH	OH	CZ	CE1
VAL     5       
1	1	H	N	-C	CA
1	5	HA	CA	N	C	CB
1	5	HB	CB	CA	CG1	CG2
3	4	HG1	CG1	CB	CA
3	4	HG2	CG2	CB	CA
DMSO    2
3	4	HD1	CD1	SD	OD
3	4	HD2	CD2	SD	OD
CYZ     3
1     1       H       N       -C      CA
1     5       HA      CA      N       C       CB
2     6       HB      CB      SG      CA
HIZ     6
1     1       H       N       -C      CA
2     6       HB      CB      CG      CA
1     5       HA      CA      N       C       CB
1     1       HE2     NE2     CE1     CD2
1     1       HD2     CD2     CG      NE2
1     1       HE1     CE1     ND1     NE2

