amide backbone:H   :H1  :H2  :H3  :
ACE  3
 CH3 C   O
 1
 5  1  2  3    HT1  HT2  HT3
AME  3
 N   H   CT
 1
 5  3  2  1    HT1  HT2  HT3
ALA  5
 CA  N   C   O   CB 
 2
12  1  2  3  5 HA
 5  5  1  2    HB1  HB2  HB3
ARG 11
 CA  N   C   O   CB  CG  CD  NE  CZ  NH1 NH2
 7
12  1  2  3  5 HA
 2  5  1  6    HB3  HB2
 2  6  5  7    HG3  HG2
 2  7  6  8    HD3  HD2
 8  8  7  9    HE
 9 10  9  8 11 HH11 HH12
 9 11  9  8 10 HH21 HH22
ASN  8
 CA  N   C   O   CB  CG  OD1 ND2
 3
12  1  2  3  5 HA
 2  5  1  6    HB3  HB2
 9  8  6  5  7 HD22 HD21
ASP  8
 CA  N   C   O   CB  CG  OD1 OD2
 2
12  1  2  3  5 HA
 2  5  1  6    HB3  HB2
ASH  8
 CA  N   C   O   CB  CG  OD1 OD2
 3
12  1  2  3  5 HA
 2  5  1  6    HB3  HB2
 7  8  6  5    HD2
CYS  6
 CA  N   C   O   CB  SG
 3
12  1  2  3  5 HA
 2  5  1  6    HB3  HB2
13  6  5  1    HG
CYX  6
 CA  N   C   O   CB  SG
 2
12  1  2  3  5 HA
 2  5  1  6    HB3  HB2
GLN  9
 CA  N   C   O   CB  CG  CD  OE1 NE2
 4
12  1  2  3  5 HA
 2  5  1  6    HB3  HB2
 2  6  5  7    HG3  HG2
 9  9  7  6  8 HE22 HE21
GLU  9
 CA  N   C   O   CB  CG  CD  OE1 OE2
 3
12  1  2  3  5 HA
 2  5  1  6    HB3  HB2
 2  6  5  7    HG3  HG2
GLH  9
 CA  N   C   O   CB  CG  CD  OE1 OE2
 4
12  1  2  3  5 HA
 2  5  1  6    HB3  HB2
 2  6  5  7    HG3  HG2
 7  9  7  6    HE2
GLY  4
 CA  N   C   O
 1
11  1  2  3    HA3  HA2
HEM 44
 CHA C1A C2A CAA CBA CGA C3A CMA C4A CHB C1B C2B CMB C3B CAB CBB C4B CHC C1C C2C 
 CMC C3C CAC CBC C4C CHD C1D C2D CMD C3D CAD CBD CGD C4D CA  N   C   O   CB  CG  
 ND1 CE1 NE2 CD2
21
 1  1  2 34    HGM
 2  4  3  5    HP72 HP71
 2  5  4  6    HP73 HP74
 6  8  7  3  9 HM81 HM83 HM82
 1 10  9 11    HDM
 6 13 12 11 14 HM11 HM13 HM12
 1 15 14 16    HV2A
 4 16 15 14 12 HV2T HV2C
 1 18 17 19    HAM
 6 21 20 19 22 HM31 HM33 HM32
 1 23 22 24    HV4A
 4 24 23 22 20 HV4T HV4C
 1 26 25 27    HBM
 6 29 28 27 30 HM51 HM53 HM52
 2 31 30 32    HP62 HP61
 2 32 31 33    HP64 HP63
12 35 36 37 39 HA
 2 39 35 40    HB3  HB2
 8 41 40 42    HD1
 1 42 41 43    HE1
 1 44 43 40    HD2
HID 10
 CA  N   C   O   CB  CG  ND1 CE1 NE2 CD2
 5
12  1  2  3  5 HA
 2  5  1  6    HB3  HB2
 8  7  6  8    HD1
 1  8  7  9    HE1
 1 10  9  6    HD2
HIE 10
 CA  N   C   O   CB  CG  ND1 CE1 NE2 CD2
 5
12  1  2  3  5 HA
 2  5  1  6    HB3  HB2
 1  8  7  9    HE1
 8  9  8 10    HE2
 1 10  9  6    HD2
HIP 10
 CA  N   C   O   CB  CG  ND1 CE1 NE2 CD2
 6
12  1  2  3  5 HA
 2  5  1  6    HB3  HB2
 8  7  6  8    HD1
 1  8  7  9    HE1
 8  9  8 10    HE2
 1 10  9  6    HD2
HIC 11
 CA  N   C   O   CB  CG  ND1 CU  CE1 NE2 CD2
 5
12  1  2  3  5 HA
 2  5  1  6    HB3  HB2
 1  9  7 10    ?
 8 10  9 11    ?
 1 11 10  6    ?
HIS 10
 CA  N   C   O   CB  CG  ND1 CE1 NE2 CD2
 5
12  1  2  3  5 HA
 2  5  1  6    HB3  HB2
 8  7  6  8    HD1
 1  8  7  9    HE1
 1 10  9  6    HD2
ILE  8
 CA  N   C   O   CB  CG2 CG1 CD1
 5
12  1  2  3  5 HA
 3  5  1  6  7 HB
 5  6  5  1    HG21 HG22 HG23
 2  7  5  8    HG13 HG12
 5  8  7  5    HD11 HD12 HD13
LEU  8
 CA  N   C   O   CB  CG  CD1 CD2
 5
12  1  2  3  5 HA
 2  5  1  6    HB3  HB2
 3  6  5  7  8 HG
 5  7  6  5    HD11 HD12 HD13
 5  8  6  5    HD21 HD22 HD23
LYS  9
 CA  N   C   O   CB  CG  CD  CE  NZ
 6
12  1  2  3  5 HA
 2  5  1  6    HB3  HB2
 2  6  5  7    HG3  HG2
 2  7  6  8    HD3  HD2
 2  8  7  9    HE3  HE2
10  9  8  7    HZ1  HZ2  HZ3
MET  8
 CA  N   C   O   CB  CG  SD  CE
 4
12  1  2  3  5 HA
 2  5  1  6    HB3  HB2
 2  6  5  7    HG3  HG2
 5  8  7  6    HE1  HE2  HE3
MTX 33
 CA  N   CT  O1  O2  CB  CG  CD  OE1 OE2 C   O   C11 C12 C13 C14 C15 C16 N10 CM  
 C9  C6  N5  C4A C4  NA4 N3  C2  NA2 N1  C8A N8  C7
13
12  1  2  3  6
 2  6  1  7
 2  7  6  8
 1 14 13 15
 1 15 14 16
 1 17 16 18
 1 18 13 17
 5 20 19 16
 2 21 19 22
 9 26 25 24
 9 29 28 27
 8 30 28 31
 1 33 22 32
PHE 11
 CA  N   C   O   CB  CG  CD1 CE1 CZ  CE2 CD2
 7
12  1  2  3  5 HA
 2  5  1  6    HB3  HB2
 1  7  6  8    HD1
 1  8  7  9    HE1
 1  9  8 10    HZ
 1 10  9 11    HE2
 1 11 10  6    HD2
PRO  7
 CA  N   C   O   CB  CG  CD
 4
12  1  2  3  5 HA
 2  5  1  6    HB3  HB2
 2  6  5  7    HG3  HG2
 2  7  6  2    HD3  HD2
SER  6
 CA  N   C   O   CB  OG
 3
12  1  2  3  5 HA
 2  5  1  6    HB3  HB2
 7  6  5  1    HG
THR  7
 CA  N   C   O   CB  CG2 OG1
 4
12  1  2  3  5 HA
 3  5  1  6  7 HB
 5  6  5  1    HG21 HG22 HG23
 7  7  5  1    HG1
TRP 14
 CA  N   C   O   CB  CG  CD1 NE1 CE2 CZ2 CH2 CZ3 CE3 CD2
 8
12  1  2  3  5 HA
 2  5  1  6    HB3  HB2
 1  7  6  8    HD1
 8  8  7  9    HE1
 1 10  9 11    HZ2
 1 11 10 12    HH2
 1 12 11 13    HZ3
 1 13 12 14    HE3
TYR 12
 CA  N   C   O   CB  CG  CD1 CE1 CZ  CE2 CD2 OH
 7
12  1  2  3  5 HA
 2  5  1  6    HB3  HB2
 1  7  6  8    HD1
 1  8  7  9    HE1
 1 10  9 11    HE2
 1 11 10  6    HD2
 7 12  9  8    HH
VAL  7
 CA  N   C   O   CB  CG1 CG2
 4
12  1  2  3  5 HA
 3  5  1  6  7 HB
 5  6  5  1    HG11 HG12 HG13
 5  7  5  1    HG21 HG22 HG23
GUA 22
 P   OP1 OP2 O3' O5' C1' C2' C3' C4' C5' O4' N2  O6  C6  C5  N7  C8  N9  C4  N3 
 C2  N1 
 8
12  9 10  8 11 H4'
 2 10  9  5    H5'' H5' 
12  8  7  9  4 H3'
 2  7  6  8    H2'  H2''
12  6  7 11 18 H1'
 1 17 16 18    H8
 8 22 21 14    H1
 9 12 21 22 20 H21  H22
DG  22
 P   OP1 OP2 O3' O5' C1' C2' C3' C4' C5' O4' N2  O6  C6  C5  N7  C8  N9  C4  N3 
 C2  N1 
 8
12  9 10  8 11 H4'
 2 10  9  5    H5'' H5' 
12  8  7  9  4 H3'
 2  7  6  8    H2'  H2''
12  6  7 11 18 H1'
 1 17 16 18    H8
 8 22 21 14    H1
 9 12 21 22 20 H21  H22
G   22
 P   OP1 OP2 O3' O5' C1' C2' C3' C4' C5' O4' N2  O6  C6  C5  N7  C8  N9  C4  N3 
 C2  N1 
 8
12  9 10  8 11 H4'
 2 10  9  5    H5'' H5' 
12  8  7  9  4 H3'
 2  7  6  8    H2'  H2''
12  6  7 11 18 H1'
 1 17 16 18    H8
 8 22 21 14    H1
 9 12 21 22 20 H21  H22
DG3 22
 P   OP1 OP2 O3' O5' C1' C2' C3' C4' C5' O4' N2  O6  C6  C5  N7  C8  N9  C4  N3 
 C2  N1 
 9
 7  4  8  9    HO3'
12  9 10  8 11 H4'
 2 10  9  5    H5'' H5' 
12  8  7  9  4 H3'
 2  7  6  8    H2'  H2''
12  6  7 11 18 H1'
 1 17 16 18    H8
 8 22 21 14    H1
 9 12 21 22 20 H21  H22
DG5 19
 O3' O5' C1' C2' C3' C4' C5' O4' N2  O6  C6  C5  N7  C8  N9  C4  N3  C2  N1 
 9
 7  2  7  6    HO5'
12  6  7  5  8 H4'
 2  7  6  2    H5'' H5' 
12  5  4  6  1 H3'
 2  4  3  5    H2'  H2''
12  3  4  7 15 H1'
 1 14 13 15    H8
 8 19 18 11    H1
 9  9 18 19 17 H21  H22
RG  23
 P   OP1 OP2 O3' O5' C1' C2' C3' C4' C5' O4' N2  O6  C6  C5  N7  C8  N9  C4  N3 
 C2  N1  O2'
 9
12  9 10  8 11 H4'
 2 10  9  5    H5'' H5' 
12  8  7  9  4 H3'
12  7  6  8 23 H2'
12  6  7 11 18 H1'
 1 17 16 18    H8
 8 22 21 14    H1
 9 12 21 22 20 H21  H22
 7 23  7  6    HO2'
RG3 23
 P   OP1 OP2 O3' O5' C1' C2' C3' C4' C5' O4' N2  O6  C6  C5  N7  C8  N9  C4  N3 
 C2  N1  O2'
10
 7  4  8  9    HO3'
12  9 10  8 11 H4'
 2 10  9  5    H5'' H5' 
12  8  7  9  4 H3'
12  7  6  8 23 H2'
12  6  7 11 18 H1'
 1 17 16 18    H8
 8 22 21 14    H1
 9 12 21 22 20 H21  H22
 7 23  7  6    HO2'
RG5 20
 O3' O5' C1' C2' C3' C4' C5' O4' N2  O6  C6  C5  N7  C8  N9  C4  N3  C2  N1  O2'
10
 7  2  7  6    HO5'
12  6  7  5  8 H4'
 2  7  6  2    H5'' H5' 
12  5  4  6  1 H3'
12  4  3  5 20 H2'
12  3  4  7 15 H1'
 1 14 13 15    H8
 8 19 18 11    H1
 9  9 18 19 17 H21  H22
 7 20  4  3    HO2'
ADE 21
 P   OP1 OP2 O3' O5' C1' C2' C3' C4' C5' O4' N6  C6  C5  N7  C8  N9  C4  N3  C2
 N1 
 8
12  9 10  8 11 H4'
 2 10  9  5    H5'' H5' 
12  8  7  9  4 H3'
 2  7  6  8    H2'  H2''
12  6  7 11 17 H1'
 1 16 15 17    H8
 1 20 19 21    H2
 9 12 13 21 14 H61  H62
DA  21
 P   OP1 OP2 O3' O5' C1' C2' C3' C4' C5' O4' N6  C6  C5  N7  C8  N9  C4  N3  C2
 N1 
 8
12  9 10  8 11 H4'
 2 10  9  5    H5'' H5' 
12  8  7  9  4 H3'
 2  7  6  8    H2'  H2''
12  6  7 11 17 H1'
 1 16 15 17    H8
 1 20 19 21    H2
 9 12 13 21 14 H61  H62
A   21
 P   OP1 OP2 O3' O5' C1' C2' C3' C4' C5' O4' N6  C6  C5  N7  C8  N9  C4  N3  C2
 N1 
 8
12  9 10  8 11 H4'
 2 10  9  5    H5'' H5' 
12  8  7  9  4 H3'
 2  7  6  8    H2'  H2''
12  6  7 11 17 H1'
 1 16 15 17    H8
 1 20 19 21    H2
 9 12 13 21 14 H61  H62
DA3 21
 P   OP1 OP2 O3' O5' C1' C2' C3' C4' C5' O4' N6  C6  C5  N7  C8  N9  C4  N3  C2
 N1 
 9
 7  4  8  9    HO3'
12  9 10  8 11 H4'
 2 10  9  5    H5'' H5' 
12  8  7  9  4 H3'
 2  7  6  8    H2'  H2''
12  6  7 11 17 H1'
 1 16 15 17    H8
 1 20 19 21    H2
 9 12 13 21 14 H61  H62
DA5 18
 O3' O5' C1' C2' C3' C4' C5' O4' N6  C6  C5  N7  C8  N9  C4  N3  C2  N1 
 9
 7  2  7  6    HO5'
12  6  7  5  8 H4'
 2  7  6  2    H5'' H5' 
12  5  4  6  1 H3'
 2  4  3  5    H2'  H2''
12  3  4  8 14 H1'
 1 13 12 14    H8
 1 17 16 18    H2
 9  9 10 18 11 H61  H62
RA  22
 P   OP1 OP2 O3' O5' C1' C2' C3' C4' C5' O4' N6  C6  C5  N7  C8  N9  C4  N3  C2
 N1  O2'
 9
12  9 10  8 11 H4'
 2 10  9  5    H5'' H5' 
12  8  7  9  4 H3'
12  7  6  8 22 H2'
12  6  7 11 17 H1'
 1 16 15 17    H8
 1 20 19 21    H2
 9 12 13 21 14 H61  H62
 7 22  7  6    HO2'
RA3 22
 P   OP1 OP2 O3' O5' C1' C2' C3' C4' C5' O4' N6  C6  C5  N7  C8  N9  C4  N3  C2
 N1  O2'
10
 7  4  8  9    HO3'
12  9 10  8 11 H4'
 2 10  9  5    H5'' H5' 
12  8  7  9  4 H3'
12  7  6  8 22 H2'
12  6  7 11 17 H1'
 1 16 15 17    H8
 1 20 19 21    H2
 9 12 13 21 14 H61  H62
 7 22  7  6    HO2'
RA5 19
 O3' O5' C1' C2' C3' C4' C5' O4' N6  C6  C5  N7  C8  N9  C4  N3  C2  N1  O2'
10
 7  2  7  6    HO5'
12  6  7  5  8 H4'
 2  7  6  2    H5'' H5' 
12  5  4  6  1 H3'
12  4  3  5 19 H2'
12  3  4  8 14 H1'
 1 13 12 14    H8
 1 17 16 18    H2
 9  9 10 18 11 H61  H62
 7 19  4  3    HO2'
CYT 19
 P   OP1 OP2 O3' O5' C1' C2' C3' C4' C5' O4' N4  C4  N3  C2  O2  N1  C6  C5 
 8
12  9 10  8 11 H4'
 2 10  9  5    H5'' H5' 
12  8  7  9  4 H3'
 2  7  6  8    H2'  H2''
12  6  7 11 17 H1'
 1 18 17 19    H6
 1 19 18 13    H5
 9 12 13 14 19 H41  H42
DC  19
 P   OP1 OP2 O3' O5' C1' C2' C3' C4' C5' O4' N4  C4  N3  C2  O2  N1  C6  C5 
 8
12  9 10  8 11 H4'
 2 10  9  5    H5'' H5' 
12  8  7  9  4 H3'
 2  7  6  8    H2'  H2''
12  6  7 11 17 H1'
 1 18 17 19    H6
 1 19 18 13    H5
 9 12 13 14 19 H41  H42
C   19
 P   OP1 OP2 O3' O5' C1' C2' C3' C4' C5' O4' N4  C4  N3  C2  O2  N1  C6  C5 
 8
12  9 10  8 11 H4'
 2 10  9  5    H5'' H5' 
12  8  7  9  4 H3'
 2  7  6  8    H2'  H2''
12  6  7 11 17 H1'
 1 18 17 19    H6
 1 19 18 13    H5
 9 12 13 14 19 H41  H42
DC3 19
 P   OP1 OP2 O3' O5' C1' C2' C3' C4' C5' O4' N4  C4  N3  C2  O2  N1  C6  C5 
 9
 7  4  8  9    HO3'
12  9 10  8 11 H4'
 2 10  9  5    H5'' H5' 
12  8  7  9  4 H3'
 2  7  6  8    H2'  H2''
12  6  7 11 17 H1'
 1 18 17 19    H6
 1 19 18 13    H5
 9 12 13 14 19 H41  H42
DC5 16
 O3' O5' C1' C2' C3' C4' C5' O4' N4  C4  N3  C2  O2  N1  C6  C5 
 9
 7  2  7  6    HO5'
12  6  7  5  8 H4'
 2  7  6  2    H5'' H5' 
12  5  4  6  1 H3'
 2  4  3  5    H2'  H2''
12  3  4  8 14 H1'
 1 15 14 16    H6
 1 16 15 10    H5
 9  9 10 11 16 H41  H42
RC  20
 P   OP1 OP2 O3' O5' C1' C2' C3' C4' C5' O4' N4  C4  N3  C2  O2  N1  C6  C5  O2'
 9
12  9 10  8 11 H4'
 2 10  9  5    H5'' H5' 
12  8  7  9  4 H3'
12  7  6  8 20 H2'
12  6  7 11 17 H1'
 1 18 17 19    H6
 1 19 18 13    H5
 9 12 13 14 19 H41  H42
 7 20  7  6    HO2'
RC3 20
 P   OP1 OP2 O3' O5' C1' C2' C3' C4' C5' O4' N4  C4  N3  C2  O2  N1  C6  C5  O2'
10
 7  4  8  9    HO3'
12  9 10  8 11 H4'
 2 10  9  5    H5'' H5' 
12  8  7  9  4 H3'
12  7  6  8 20 H2'
12  6  7 11 17 H1'
 1 18 17 19    H6
 1 19 18 13    H5
 9 12 13 14 19 H41  H42
 7 20  7  6    HO2'
RC5 17
 O3' O5' C1' C2' C3' C4' C5' O4' N4  C4  N3  C2  O2  N1  C6  C5  O2'
10
 7  2  7  6    HO5'
12  6  7  5  8 H4'
 2  7  6  2    H5'' H5' 
12  5  4  6  1 H3'
12  4  3  5 17 H2'
12  3  4  8 14 H1'
 1 15 14 16    H6
 1 16 15 10    H5
 9  9 10 11 16 H41  H42
 7 17  4  3    HO2'
THY 20
 P   OP1 OP2 O3' O5' C1' C2' C3' C4' C5' O4' O4  C4  N3  C2  O2  N1  C6  C5  C7 
 8
12  9 10  8 11 H4'
 2 10  9  5    H5'' H5' 
12  8  7  9  4 H3'
 2  7  6  8    H2'  H2''
12  6  7 11 17 H1'
 1 18 17 19    H6
 8 14 15 13    H3
 6 20 19 18 13 H71  H72  H73
DT  20
 P   OP1 OP2 O3' O5' C1' C2' C3' C4' C5' O4' O4  C4  N3  C2  O2  N1  C6  C5  C7 
 8
12  9 10  8 11 H4'
 2 10  9  5    H5'' H5' 
12  8  7  9  4 H3'
 2  7  6  8    H2'  H2''
12  6  7 11 17 H1'
 1 18 17 19    H6
 8 14 15 13    H3
 6 20 19 18 13 H71  H72  H73
T   20
 P   OP1 OP2 O3' O5' C1' C2' C3' C4' C5' O4' O4  C4  N3  C2  O2  N1  C6  C5  C7 
 8
12  9 10  8 11 H4'
 2 10  9  5    H5'' H5' 
12  8  7  9  4 H3'
 2  7  6  8    H2'  H2''
12  6  7 11 17 H1'
 1 18 17 19    H6
 8 14 15 13    H3
 6 20 19 18 13 H71  H72  H73
DT3 20
 P   OP1 OP2 O3' O5' C1' C2' C3' C4' C5' O4' O4  C4  N3  C2  O2  N1  C6  C5  C7 
 9
 7  4  8  9    HO3'
12  9 10  8 11 H4'
 2 10  9  5    H5'' H5' 
12  8  7  9  4 H3'
 2  7  6  8    H2'  H2''
12  6  7 11 17 H1'
 1 18 17 19    H6
 8 14 15 13    H3
 6 20 19 18 13 H71  H72  H73
DT5 17
 O3' O5' C1' C2' C3' C4' C5' O4' O4  C4  N3  C2  O2  N1  C6  C5  C7 
 9
 7  2  7  6    HO5'
12  6  7  5  8 H4'
 2  7  6  2    H5'' H5' 
12  5  4  6  1 H3'
 2  4  3  5    H2'  H2''
12  3  4  8 14 H1'
 1 15 47 16    H6
 8 11 12 10    H3
 6 17 16 15 10 H71  H72  H73
RU  20
 P   OP1 OP2 O3' O5' C1' C2' C3' C4' C5' O4' O4  C4  N3  C2  O2  N1  C6  C5  O2'
 9
12  9 10  8 11 H4'
 2 10  9  5    H5'' H5' 
12  8  7  9  4 H3'
12  7  6  8 20 H2'
12  6  7 11 17 H1'
 1 18 17 19    H6
 8 14 15 13    H3
 1 19 18 13    H5
 7 20  7  6    HO2'
U   20
 P   OP1 OP2 O3' O5' C1' C2' C3' C4' C5' O4' O4  C4  N3  C2  O2  N1  C6  C5  O2'
 9
12  9 10  8 11 H4'
 2 10  9  5    H5'' H5' 
12  8  7  9  4 H3'
12  7  6  8 20 H2'
12  6  7 11 17 H1'
 1 18 17 19    H6
 8 14 15 13    H3
 1 19 18 13    H5
 7 20  7  6    HO2'
RU3 20
 P   OP1 OP2 O3' O5' C1' C2' C3' C4' C5' O4' O4  C4  N3  C2  O2  N1  C6  C5  O2'
10
 7  4  8  9    HO3'
12  9 10  8 11 H4'
 2 10  9  5    H5'' H5' 
12  8  7  9  4 H3'
12  7  6  8 20 H2'
12  6  7 11 17 H1'
 1 18 17 19    H6
 8 14 15 13    H3
 1 19 18 13    H5
 7 20  7  6    HO2'
RU5 17
 O3' O5' C1' C2' C3' C4' C5' O4' O4  C4  N3  C2  O2  N1  C6  C5  O2'
10
 7  2  7  6    HO5'
12  6  7  5  8 H4'
 2  7  6  2    H5'' H5' 
12  5  4  6  1 H3'
12  4  3  5 18 H2'
12  3  4  8 14 H1'
 1 15 47 16    H6
 8 11 12 10    H3
 1 16 15 10    H5
 7 17  4  3    HO2'
