*HEADER    TOXIN                                   29-JAN-09   2W9W
*TITLE     SOLUTION STRUCTURE OF JERDOSTATIN MUTANT R24K FROM
*TITLE    2 TRIMERESURUS JERDONII WITH END C-TERMINAL RESIDUES N45G46
*TITLE    3 DELETED
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: SHORT DISINTEGRIN JERDOSTATIN;
*COMPND   3 CHAIN: A;
*COMPND   4 FRAGMENT: RESIDUES 68-108;
*COMPND   5 SYNONYM: JERDOSTATIN;
*COMPND   6 ENGINEERED: YES;
*COMPND   7 MUTATION: YES
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: TRIMERESURUS JERDONII;
*SOURCE   3 ORGANISM_COMMON: JERDON'S PIT-VIPER;
*SOURCE   4 ORGANISM_TAXID: 135726;
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 469008;
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET-32A
*KEYWDS    VIPER, VENOM, TOXIN, SECRETED, DISINTEGRINS, CELL ADHESION,
*KEYWDS   2 BLOOD COAGULATION
*EXPDTA    SOLUTION NMR
*AUTHOR    R.J.CARBAJO,L.SANZ,S.MOSULEN,J.J.CALVETE,A.PINEDA-LUCENA
*REVDAT   1   29-JAN-09 2W9W    0




! 
! KTS-NG  jerdostatin
!

! UNAMBIGUOUS CONSTRAINTS


!A1

assign (residue 1 and name HA) (residue 2 and name HN) 5.0 5.0 0.0 ! 040407

assign (residue 1 and name HB#) (residue 2 and name HN) 6.0 6.0 0.0 ! 040407



!M2

assign (residue 2 and name HN) (residue 2 and name HA) 5.0 5.0 0.0 ! 040407

assign (residue 2 and name HN) (residue 2 and name HB#) 5.0 5.0 0.0 ! 040407

assign (residue 2 and name HA) (residue 3 and name HN) 5.0 5.0 0.0 ! 040407

assign (residue 2 and name HB#) (residue 3 and name HN) 5.0 5.0 0.0 ! 040407



!D3

assign (residue 3 and name HN) (residue 3 and name HA) 5.0 5.0 0.0 ! 040407

assign (residue 3 and name HN) (residue 3 and name HB#) 5.0 5.0 0.0 ! 040407

assign (residue 3 and name HN) (residue 4 and name HN) 5.0 5.0 0.0 ! 040407

assign (residue 3 and name HA) (residue 4 and name HN) 5.0 5.0 0.0 ! 040407

assign (residue 3 and name HB#) (residue 4 and name HN) 5.0 5.0 0.0 ! 040407

assign (residue 3 and name HA) (residue 4 and name HB#) 5.0 5.0 0.0 ! 040407


!C4

assign (residue 4 and name HN) (residue 4 and name HA) 5.0 5.0 0.0 ! 050407

assign (residue 4 and name HN) (residue 4 and name HB#) 5.0 5.0 0.0 ! 050407

assign (residue 4 and name HA) (residue 5 and name HN) 3.5 3.5 0.0 ! 050407

assign (residue 4 and name HB#) (residue 5 and name HN) 3.5 3.5 0.0 ! 050407

assign (residue 4 and name HB#) (residue 5 and name HA) 6.0 6.0 0.0 ! 130807

assign (residue 4 and name HB#) (residue 5 and name HB) 6.0 6.0 0.0 ! 130807

assign (residue 4 and name HB#) (residue 6 and name HG2#) 6.0 6.0 0.0 ! 050407

assign (residue 4 and name HA) (residue 13 and name HN) 6.0 6.0 0.0 ! 050407

assign (residue 4 and name HA) (residue 13 and name HA) 5.0 5.0 0.0 ! 280807

assign (residue 4 and name HB#) (residue 13 and name HN) 5.0 5.0 0.0 ! 050407


!T5

assign (residue 5 and name HN) (residue 5 and name HA) 5.0 5.0 0.0 ! 100407

assign (residue 5 and name HN) (residue 5 and name HB) 5.0 5.0 0.0 ! 100407

assign (residue 5 and name HN) (residue 5 and name HG2#) 5.0 5.0 0.0 ! 100407

assign (residue 5 and name HA) (residue 6 and name HN) 2.5 2.5 0.0 ! 100407 ! changed 260907

assign (residue 5 and name HB) (residue 6 and name HN) 5.0 5.0 0.0 ! 100407

assign (residue 5 and name HG2#) (residue 6 and name HN) 5.0 5.0 0.0 ! 100407

assign (residue 5 and name HN) (residue 13 and name HA) 6.0 6.0 0.0 ! 100907

assign (residue 5 and name HA) (residue 37 and name HN) 6.0 6.0 0.0 ! 100407

assign (residue 5 and name HG2#) (residue 37 and name HN) 6.0 6.0 0.0 ! 100407

assign (residue 5 and name HG2#) (residue 37 and name HB#) 5.0 5.0 0.0 ! 100407


!T6

assign (residue 6 and name HN) (residue 6 and name HA) 5.0 5.0 0.0 ! 100407

assign (residue 6 and name HN) (residue 6 and name HB) 5.0 5.0 0.0 ! 100407

assign (residue 6 and name HN) (residue 6 and name HG2#) 5.0 5.0 0.0 ! 100407

assign (residue 6 and name HA) (residue 7 and name HN) 2.5 2.5 0.0 ! 100407 ! changed 260907

assign (residue 6 and name HB) (residue 7 and name HN) 5.0 5.0 0.0 ! 100407

assign (residue 6 and name HG2#) (residue 7 and name HN) 5.0 5.0 0.0 ! 100407

assign (residue 6 and name HG2#) (residue 7 and name HA#) 5.0 5.0 0.0 ! 100807

assign (residue 6 and name HA) (residue 10 and name HB#) 5.0 5.0 0.0 ! 100407

assign (residue 6 and name HG2#) (residue 12 and name HA) 6.0 6.0 0.0 ! 100407

assign (residue 6 and name HG2#) (residue 13 and name HN) 6.0 6.0 0.0 ! 130807


!G7

assign (residue 7 and name HN) (residue 7 and name HA#) 5.0 5.0 0.0 ! 100407

assign (residue 7 and name HN) (residue 8 and name HD#) 6.0 6.0 0.0 ! 100407

assign (residue 7 and name HA#) (residue 8 and name HG#) 6.0 6.0 0.0 ! 100407

assign (residue 7 and name HA#) (residue 8 and name HD#) 3.5 3.5 0.0 ! 100407

assign (residue 7 and name HN) (residue 10 and name HB#) 5.0 5.0 0.0 ! 100407

assign (residue 7 and name HA#) (residue 10 and name HB#) 6.0 6.0 0.0 ! 100807

assign (residue 7 and name HN) (residue 37 and name HB#) 5.0 5.0 0.0 ! 100407

assign (residue 7 and name HA#) (residue 37 and name HB#) 5.0 5.0 0.0 ! 100407


!P8

assign (residue 8 and name HA) (residue 9 and name HN) 5.0 5.0 0.0 ! 100407

assign (residue 8 and name HB#) (residue 9 and name HN) 5.0 5.0 0.0 ! 100407

assign (residue 8 and name HG#) (residue 9 and name HN) 5.0 5.0 0.0 ! 100407

assign (residue 8 and name HD#) (residue 9 and name HN) 5.0 5.0 0.0 ! 100407

assign (residue 8 and name HA) (residue 22 and name HB#) 5.0 5.0 0.0 ! 100807

assign (residue 8 and name HB#) (residue 22 and name HA) 6.0 6.0 0.0 ! 100407

assign (residue 8 and name HB#) (residue 22 and name HB#) 5.0 5.0 0.0 ! 100407

assign (residue 8 and name HG#) (residue 22 and name HB#) 6.0 6.0 0.0 ! 100407 ! changed 140208

assign (residue 8 and name HG#) (residue 23 and name HE1) 6.0 6.0 0.0 ! 100907

assign (residue 8 and name HD#) (residue 37 and name HB#) 5.0 5.0 0.0 ! 110407

assign (residue 8 and name HD#) (residue 38 and name HA) 5.0 5.0 0.0 ! 110407

assign (residue 8 and name HG#) (residue 39 and name HN) 5.0 5.0 0.0 ! 110407

assign (residue 8 and name HD#) (residue 39 and name HN) 5.0 5.0 0.0 ! 110407

assign (residue 8 and name HG#) (residue 39 and name HA) 6.0 6.0 0.0 ! 130807

assign (residue 8 and name HB#) (residue 39 and name HB#) 5.0 5.0 0.0 ! 050906

assign (residue 8 and name HG#) (residue 39 and name HB#) 5.0 5.0 0.0 ! 050906


!C9

assign (residue 9 and name HN) (residue 9 and name HA) 5.0 5.0 0.0 ! 110407

assign (residue 9 and name HN) (residue 9 and name HB#) 5.0 5.0 0.0 ! 110407

assign (residue 9 and name HN) (residue 10 and name HN) 3.5 3.5 0.0 ! 110407

assign (residue 9 and name HA) (residue 10 and name HN) 5.0 5.0 0.0 ! 110407

assign (residue 9 and name HB#) (residue 10 and name HN) 6.0 6.0 0.0 ! 110407

assign (residue 9 and name HB#) (residue 15 and name HD#) 6.0 6.0 0.0 ! 110407

assign (residue 9 and name HB#) (residue 16 and name HN) 6.0 6.0 0.0 ! 130807

assign (residue 9 and name HA) (residue 16 and name HG#) 5.0 5.0 0.0 ! 110407

assign (residue 9 and name HA) (residue 16 and name HD#) 5.0 5.0 0.0 ! 110407

assign (residue 9 and name HA) (residue 16 and name HE#) 5.0 5.0 0.0 ! 110407

assign (residue 9 and name HB#) (residue 34 and name HN) 6.0 6.0 0.0 ! 230507

assign (residue 9 and name HN) (residue 37 and name HA) 5.0 5.0 0.0 ! 110407

assign (residue 9 and name HN) (residue 37 and name HB#) 5.0 5.0 0.0 ! 110407

assign (residue 9 and name HB#) (residue 37 and name HN) 6.0 6.0 0.0 ! 130807

assign (residue 9 and name HB#) (residue 37 and name HA) 5.0 5.0 0.0 ! 110407 ! changed 260907

assign (residue 9 and name HN) (residue 38 and name HA) 6.0 6.0 0.0 ! 110407

assign (residue 9 and name HB#) (residue 38 and name HN) 6.0 6.0 0.0 ! 110407

assign (residue 9 and name HB#) (residue 38 and name HA) 6.0 6.0 0.0 ! 130807

assign (residue 9 and name HB#) (residue 39 and name HA) 6.0 6.0 0.0 ! 110407



!C10

assign (residue 10 and name HN) (residue 10 and name HA) 5.0 5.0 0.0 ! 110407

assign (residue 10 and name HN) (residue 10 and name HB#) 5.0 5.0 0.0 ! 110407

assign (residue 10 and name HN) (residue 11 and name HN) 5.0 5.0 0.0 ! 110407

assign (residue 10 and name HA) (residue 11 and name HN) 3.5 3.5 0.0 ! 110407 ! changed 260907 ! changed 140208

assign (residue 10 and name HB#) (residue 11 and name HN) 5.0 5.0 0.0 ! 110407 ! changed 260907

assign (residue 10 and name HB#) (residue 13 and name HN) 5.0 5.0 0.0 ! 110407

assign (residue 10 and name HA) (residue 14 and name HN) 5.0 5.0 0.0 ! 110407

assign (residue 10 and name HB#) (residue 14 and name HN) 6.0 6.0 0.0 ! 110407

assign (residue 10 and name HA) (residue 15 and name HN) 5.0 5.0 0.0 ! 110407

assign (residue 10 and name HA) (residue 15 and name HA) 5.0 5.0 0.0 ! 110407

assign (residue 10 and name HA) (residue 15 and name HB#) 6.0 6.0 0.0 ! 140807

assign (residue 10 and name HA) (residue 15 and name HD#) 5.0 5.0 0.0 ! 110407

assign (residue 10 and name HB#) (residue 15 and name HA) 5.0 5.0 0.0 ! 110407

assign (residue 10 and name HB#) (residue 15 and name HB#) 6.0 6.0 0.0 ! 110407

assign (residue 10 and name HB#) (residue 15 and name HD#) 6.0 6.0 0.0 ! 110407

assign (residue 10 and name HN) (residue 16 and name HG#) 6.0 6.0 0.0 ! 110407

assign (residue 10 and name HN) (residue 16 and name HD#) 6.0 6.0 0.0 ! added 171007

assign (residue 10 and name HN) (residue 16 and name HE#) 5.0 5.0 0.0 ! 110407

assign (residue 10 and name HA) (residue 16 and name HN) 3.5 3.5 0.0 ! 170806 ! changed 080906

assign (residue 10 and name HA) (residue 16 and name HG#) 5.0 5.0 0.0 ! 110407

assign (residue 10 and name HA) (residue 16 and name HD#) 6.0 6.0 0.0 ! 110407

assign (residue 10 and name HA) (residue 16 and name HE#) 6.0 6.0 0.0 ! 110407

assign (residue 10 and name HB#) (residue 16 and name HN) 5.0 5.0 0.0 ! 110407

assign (residue 10 and name HN) (residue 37 and name HA) 5.0 5.0 0.0 ! 110407 ! removed 100807! readded 191007

assign (residue 10 and name HN) (residue 37 and name HB#) 5.0 5.0 0.0 ! 110407

assign (residue 10 and name HB#) (residue 37 and name HA) 6.0 6.0 0.0 ! 110407

assign (residue 10 and name HB#) (residue 37 and name HB#) 6.0 6.0 0.0 ! 110407


!R11

assign (residue 11 and name HN) (residue 11 and name HA) 5.0 5.0 0.0 ! 230407

assign (residue 11 and name HN) (residue 11 and name HB#) 5.0 5.0 0.0 ! 230407

assign (residue 11 and name HN) (residue 11 and name HG#) 5.0 5.0 0.0 ! 230407

assign (residue 11 and name HN) (residue 11 and name HD#) 5.0 5.0 0.0 ! 230407

assign (residue 11 and name HA) (residue 12 and name HN) 5.0 5.0 0.0 ! 120407

assign (residue 11 and name HB#) (residue 12 and name HN) 6.0 6.0 0.0 ! 140807

assign (residue 11 and name HG#) (residue 12 and name HN) 6.0 6.0 0.0 ! 140807

assign (residue 11 and name HG#) (residue 12 and name HG#) 5.0 5.0 0.0 ! 100907

assign (residue 11 and name HA) (residue 13 and name HN) 5.0 5.0 0.0 ! 230407

assign (residue 11 and name HN) (residue 14 and name HN) 5.0 5.0 0.0 ! 120407 ! changed 260907

assign (residue 11 and name HN) (residue 15 and name HA) 5.0 5.0 0.0 ! 230407

assign (residue 11 and name HN) (residue 15 and name HD#) 6.0 6.0 0.0 ! 140807

assign (residue 11 and name HN) (residue 16 and name HN) 5.0 5.0 0.0 ! 230407

assign (residue 11 and name HN) (residue 16 and name HG#) 5.0 5.0 0.0 ! 100807

assign (residue 11 and name HN) (residue 16 and name HE#) 6.0 6.0 0.0 ! 140807

assign (residue 11 and name HB#) (residue 16 and name HE#) 5.0 5.0 0.0 ! 100807


!Q12

assign (residue 12 and name HN) (residue 12 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 12 and name HN) (residue 12 and name HB#) 5.0 5.0 0.0 ! 150807

assign (residue 12 and name HN) (residue 12 and name HG#) 5.0 5.0 0.0 ! 150807

assign (residue 12 and name HN) (residue 13 and name HN) 5.0 5.0 0.0 ! 230407

assign (residue 12 and name HA) (residue 13 and name HN) 3.5 3.5 0.0 ! 120407

assign (residue 12 and name HB#) (residue 13 and name HN) 3.5 3.5 0.0 ! 120407

assign (residue 12 and name HG#) (residue 13 and name HN) 5.0 5.0 0.0 ! 150807

assign (residue 12 and name HA) (residue 14 and name HN) 6.0 6.0 0.0 ! 150807

assign (residue 12 and name HB#) (residue 14 and name HN) 6.0 6.0 0.0 ! 150807



!C13

assign (residue 13 and name HN) (residue 13 and name HA) 5.0 5.0 0.0 ! 240407

assign (residue 13 and name HN) (residue 13 and name HB#) 5.0 5.0 0.0 ! 240407

assign (residue 13 and name HN) (residue 14 and name HN) 3.5 3.5 0.0 ! 120407

assign (residue 13 and name HA) (residue 14 and name HN) 5.0 5.0 0.0 ! 240407

assign (residue 13 and name HB#) (residue 14 and name HN) 5.0 5.0 0.0 ! 240407



!K14

assign (residue 14 and name HN) (residue 14 and name HA) 5.0 5.0 0.0 ! 240407

assign (residue 14 and name HN) (residue 14 and name HB#) 5.0 5.0 0.0 ! 240407

assign (residue 14 and name HN) (residue 14 and name HG#) 5.0 5.0 0.0 ! 150807

assign (residue 14 and name HN) (residue 15 and name HA) 6.0 6.0 0.0 ! 150807

assign (residue 14 and name HN) (residue 15 and name HN) 5.0 5.0 0.0 ! 240407

assign (residue 14 and name HA) (residue 15 and name HN) 2.5 2.5 0.0 ! 120407

assign (residue 14 and name HB#) (residue 15 and name HN) 5.0 5.0 0.0 ! 120407 ! changed 260907 ! changed 140208

assign (residue 14 and name HG#) (residue 15 and name HN) 5.0 5.0 0.0 ! 150807



!L15

assign (residue 15 and name HN) (residue 15 and name HA) 5.0 5.0 0.0 ! 240407

assign (residue 15 and name HN) (residue 15 and name HB#) 5.0 5.0 0.0 ! 240407

assign (residue 15 and name HN) (residue 15 and name HG) 5.0 5.0 0.0 ! 240407

assign (residue 15 and name HN) (residue 15 and name HD#) 5.0 5.0 0.0 ! 240407

assign (residue 15 and name HA) (residue 16 and name HN) 2.5 2.5 0.0 ! 120407

assign (residue 15 and name HA) (residue 16 and name HG#) 6.0 6.0 0.0 ! 170807

assign (residue 15 and name HB#) (residue 16 and name HN) 5.0 5.0 0.0 ! 240407

assign (residue 15 and name HD#) (residue 16 and name HN) 5.0 5.0 0.0 ! 240407

assign (residue 15 and name HD#) (residue 18 and name HN) 6.0 6.0 0.0 ! 240407

assign (residue 15 and name HD#) (residue 33 and name HN) 6.0 6.0 0.0 ! 170807

assign (residue 15 and name HD#) (residue 34 and name HN) 5.0 5.0 0.0 ! 120407

assign (residue 15 and name HB#) (residue 34 and name HN) 6.0 6.0 0.0 ! 240407

assign (residue 15 and name HB#) (residue 34 and name HA#) 6.0 6.0 0.0 ! 170807 

assign (residue 15 and name HD#) (residue 34 and name HA#) 6.0 6.0 0.0 ! 170807

assign (residue 15 and name HD#) (residue 35 and name HN) 5.0 5.0 0.0 ! 120407

assign (residue 15 and name HD#) (residue 35 and name HA) 5.0 5.0 0.0 ! 230507

assign (residue 15 and name HB#) (residue 36 and name HN) 6.0 6.0 0.0 ! 170807

assign (residue 15 and name HD#) (residue 36 and name HN) 5.0 5.0 0.0 ! 120407

assign (residue 15 and name HD#) (residue 36 and name HA) 5.0 5.0 0.0 ! 120407

assign (residue 15 and name HD#) (residue 36 and name HB#) 5.0 5.0 0.0 ! 100807

assign (residue 15 and name HB#) (residue 37 and name HN) 6.0 6.0 0.0 ! 240407

assign (residue 15 and name HD#) (residue 37 and name HN) 5.0 5.0 0.0 ! 120407

assign (residue 15 and name HD#) (residue 37 and name HA) 5.0 5.0 0.0 ! 160507

assign (residue 15 and name HD#) (residue 38 and name HN) 6.0 6.0 0.0 ! 240407



!K16

assign (residue 16 and name HN) (residue 16 and name HA) 5.0 5.0 0.0 ! 240407

assign (residue 16 and name HN) (residue 16 and name HB#) 5.0 5.0 0.0 ! 240407

assign (residue 16 and name HN) (residue 16 and name HG#) 5.0 5.0 0.0 ! 240407

assign (residue 16 and name HN) (residue 16 and name HD#) 5.0 5.0 0.0 ! 240407

assign (residue 16 and name HN) (residue 17 and name HD#) 5.0 5.0 0.0 ! 100807

assign (residue 16 and name HA) (residue 17 and name HD#) 2.5 2.5 0.0 ! 120407 ! changed 260907

assign (residue 16 and name HG#) (residue 17 and name HD#) 6.0 6.0 0.0 ! 240407

assign (residue 16 and name HA) (residue 20 and name HG2#) 5.0 5.0 0.0 ! 240407

assign (residue 16 and name HB#) (residue 20 and name HB) 5.0 5.0 0.0 ! 100907

assign (residue 16 and name HB#) (residue 20 and name HG2#) 5.0 5.0 0.0 ! 100907

assign (residue 16 and name HD#) (residue 20 and name HG2#) 5.0 5.0 0.0 ! 240407

assign (residue 16 and name HE#) (residue 20 and name HG2#) 5.0 5.0 0.0 ! 240407

assign (residue 16 and name HB#) (residue 32 and name HB#) 6.0 6.0 0.0 ! 240407 ! added 170907



!P17

assign (residue 17 and name HA) (residue 18 and name HN) 2.2 2.2 0.0 ! 120407 ! changed 260907

assign (residue 17 and name HB#) (residue 18 and name HN) 3.5 3.5 0.0 ! 120407

assign (residue 17 and name HG#) (residue 18 and name HN) 5.0 5.0 0.0 ! 240407

assign (residue 17 and name HA) (residue 18 and name HB#) 5.0 5.0 0.0 ! added 191007

assign (residue 17 and name HB#) (residue 18 and name HB#) 5.0 5.0 0.0 ! 240407

assign (residue 17 and name HB#) (residue 19 and name HN) 6.0 6.0 0.0 ! added 191007

assign (residue 17 and name HB#) (residue 20 and name HN) 5.0 5.0 0.0 ! 240407

assign (residue 17 and name HG#) (residue 20 and name HN) 6.0 6.0 0.0 ! 240407

assign (residue 17 and name HB#) (residue 20 and name HA) 6.0 6.0 0.0 ! added 191007

assign (residue 17 and name HD#) (residue 20 and name HG2#) 5.0 5.0 0.0 ! 240407



!A18

assign (residue 18 and name HN) (residue 18 and name HA) 5.0 5.0 0.0 ! 240407

assign (residue 18 and name HN) (residue 18 and name HB#) 5.0 5.0 0.0 ! 240407

assign (residue 18 and name HN) (residue 19 and name HN) 5.0 5.0 0.0 ! 240407

assign (residue 18 and name HA) (residue 19 and name HN) 2.5 2.5 0.0 ! 120407

assign (residue 18 and name HB#) (residue 19 and name HN) 5.0 5.0 0.0 ! 240407

assign (residue 18 and name HA) (residue 19 and name HA#) 5.0 5.0 0.0 ! 240407

assign (residue 18 and name HB#) (residue 19 and name HA#) 5.0 5.0 0.0 ! 240407

assign (residue 18 and name HN) (residue 20 and name HN) 6.0 6.0 0.0 ! 240407

assign (residue 18 and name HB#) (residue 20 and name HN) 5.0 5.0 0.0 ! 240407

assign (residue 18 and name HA) (residue 20 and name HN) 5.0 5.0 0.0 ! 240407

assign (residue 18 and name HN) (residue 32 and name HB#) 6.0 6.0 0.0 ! 240407

assign (residue 18 and name HA) (residue 32 and name HN) 6.0 6.0 0.0 ! 240407 ! changed 140208

assign (residue 18 and name HA) (residue 33 and name HN) 5.0 5.0 0.0 ! 240407

assign (residue 18 and name HA) (residue 33 and name HA) 5.0 5.0 0.0 ! 230507

assign (residue 18 and name HA) (residue 33 and name HG2#) 5.0 5.0 0.0 ! 240407

assign (residue 18 and name HB#) (residue 33 and name HN) 6.0 6.0 0.0 ! 240407

assign (residue 18 and name HB#) (residue 33 and name HA) 5.0 5.0 0.0 ! 240407

assign (residue 18 and name HN) (residue 34 and name HN) 5.0 5.0 0.0 ! 240407

assign (residue 18 and name HN) (residue 34 and name HA#) 5.0 5.0 0.0 ! 120407 ! changed 260907

assign (residue 18 and name HA) (residue 34 and name HA#) 5.0 5.0 0.0 ! 230507

assign (residue 18 and name HB#) (residue 34 and name HN) 5.0 5.0 0.0 ! 120407

assign (residue 18 and name HB#) (residue 34 and name HA#) 5.0 5.0 0.0 ! 240407

assign (residue 18 and name HB#) (residue 35 and name HN) 6.0 6.0 0.0 ! 200807



!G19

assign (residue 19 and name HN) (residue 19 and name HA#) 5.0 5.0 0.0 ! 250407

assign (residue 19 and name HN) (residue 20 and name HN) 3.5 3.5 0.0 ! 250407

assign (residue 19 and name HA#) (residue 20 and name HN) 3.5 3.5 0.0 ! 250407

assign (residue 19 and name HN) (residue 31 and name HA) 6.0 6.0 0.0 ! 250407 ! changed 070208

assign (residue 19 and name HN) (residue 31 and name HB#) 5.0 5.0 0.0 ! 120407

assign (residue 19 and name HN) (residue 31 and name HD#) 5.0 5.0 0.0 ! 230507

assign (residue 19 and name HA#) (residue 31 and name HB#) 5.0 5.0 0.0 ! 120407

assign (residue 19 and name HA#) (residue 31 and name HD#) 5.0 5.0 0.0 ! 120407

assign (residue 19 and name HA#) (residue 31 and name HE#) 6.0 6.0 0.0 ! 120407 ! changed 070208

assign (residue 19 and name HN) (residue 32 and name HN) 5.0 5.0 0.0 ! 250407

assign (residue 19 and name HN) (residue 32 and name HA) 6.0 6.0 0.0 ! 200807

assign (residue 19 and name HN) (residue 32 and name HB#) 5.0 5.0 0.0 ! 200807

assign (residue 19 and name HA#) (residue 32 and name HN) 5.0 5.0 0.0 ! 250407

assign (residue 19 and name HN) (residue 33 and name HA) 5.0 5.0 0.0 ! 120407


!T20

assign (residue 20 and name HN) (residue 20 and name HA) 5.0 5.0 0.0 ! 120407

assign (residue 20 and name HN) (residue 20 and name HB) 5.0 5.0 0.0 ! 120407

assign (residue 20 and name HN) (residue 20 and name HG2#) 5.0 5.0 0.0 ! 120407

assign (residue 20 and name HN) (residue 21 and name HN) 5.0 5.0 0.0 ! 250407

assign (residue 20 and name HN) (residue 21 and name HG2#) 6.0 6.0 0.0 ! 250407

assign (residue 20 and name HA) (residue 21 and name HN) 2.5 2.5 0.0 ! 120407

assign (residue 20 and name HB) (residue 21 and name HN) 5.0 5.0 0.0 ! 120407

assign (residue 20 and name HG2#) (residue 21 and name HN) 5.0 5.0 0.0 ! 120407

assign (residue 20 and name HG2#) (residue 21 and name HA) 6.0 6.0 0.0 ! 030507 ! changed 300507

assign (residue 20 and name HG2#) (residue 21 and name HB) 5.0 5.0 0.0 ! 030507

assign (residue 20 and name HG2#) (residue 22 and name HA) 6.0 6.0 0.0 ! 100807

assign (residue 20 and name HN) (residue 31 and name HA) 6.0 6.0 0.0 ! 030507 ! changed 070208

assign (residue 20 and name HN) (residue 31 and name HB#) 6.0 6.0 0.0 ! 100807

assign (residue 20 and name HA) (residue 31 and name HD#) 6.0 6.0 0.0 ! 030507 ! changed 070208

assign (residue 20 and name HN) (residue 32 and name HN) 5.0 5.0 0.0 ! 120407

assign (residue 20 and name HN) (residue 32 and name HA) 5.0 5.0 0.0 ! 030507

assign (residue 20 and name HN) (residue 32 and name HB#) 5.0 5.0 0.0 ! 120407

assign (residue 20 and name HA) (residue 32 and name HN) 5.0 5.0 0.0 ! 030507

assign (residue 20 and name HB) (residue 32 and name HN) 5.0 5.0 0.0 ! 120407

assign (residue 20 and name HB) (residue 32 and name HB#) 5.0 5.0 0.0 ! 030507

assign (residue 20 and name HG2#) (residue 32 and name HN) 5.0 5.0 0.0 ! 030507

assign (residue 20 and name HG2#) (residue 32 and name HB#) 5.0 5.0 0.0 ! 310806



!T21

assign (residue 21 and name HN) (residue 21 and name HA) 5.0 5.0 0.0 ! 030507

assign (residue 21 and name HN) (residue 21 and name HB) 5.0 5.0 0.0 ! 030507

assign (residue 21 and name HN) (residue 21 and name HG2#) 5.0 5.0 0.0 ! 030507

assign (residue 21 and name HA) (residue 22 and name HN) 2.5 2.5 0.0 ! 120407 ! changed 260907

assign (residue 21 and name HA) (residue 22 and name HB#) 6.0 6.0 0.0 ! 221007

assign (residue 21 and name HB) (residue 22 and name HN) 5.0 5.0 0.0 ! 030507

assign (residue 21 and name HG2#) (residue 22 and name HN) 5.0 5.0 0.0 ! 030507

assign (residue 21 and name HG2#) (residue 22 and name HA) 5.0 5.0 0.0 ! 031207

assign (residue 21 and name HA) (residue 23 and name HN) 5.0 5.0 0.0 ! 290507

assign (residue 21 and name HG2#) (residue 23 and name HN) 5.0 5.0 0.0 ! 140208

assign (residue 21 and name HG2#) (residue 24 and name HE#) 6.0 6.0 0.0 ! 200807

assign (residue 21 and name HG2#) (residue 29 and name HB#) 5.0 5.0 0.0 ! 030507

assign (residue 21 and name HA) (residue 30 and name HN) 6.0 6.0 0.0 ! 030507 ! changed 070208

assign (residue 21 and name HG2#) (residue 30 and name HN) 5.0 5.0 0.0 ! 030507

assign (residue 21 and name HN) (residue 31 and name HD#) 5.0 5.0 0.0 ! 050507

assign (residue 21 and name HN) (residue 31 and name HE#) 6.0 6.0 0.0 ! 230507 ! changed 070208

assign (residue 21 and name HA) (residue 31 and name HA) 5.0 5.0 0.0 ! 050507

assign (residue 21 and name HA) (residue 31 and name HB#) 6.0 6.0 0.0 ! 280807 ! changed 070208

assign (residue 21 and name HA) (residue 31 and name HD#) 3.5 3.5 0.0 ! 050507 ! changed 260907

assign (residue 21 and name HA) (residue 31 and name HE#) 5.0 5.0 0.0 ! 050507

assign (residue 21 and name HB) (residue 31 and name HD#) 6.0 6.0 0.0 ! 050507 ! changed 070208

assign (residue 21 and name HB) (residue 31 and name HE#) 6.0 6.0 0.0 ! 050507 ! changed 070208

assign (residue 21 and name HG2#) (residue 31 and name HA) 6.0 6.0 0.0 ! 050507 ! changed 070208

assign (residue 21 and name HG2#) (residue 31 and name HD#) 5.0 5.0 0.0 ! 120407

assign (residue 21 and name HG2#) (residue 31 and name HE#) 5.0 5.0 0.0 ! 050507

assign (residue 21 and name HA) (residue 32 and name HN) 5.0 5.0 0.0 ! 050507 ! changed 260907

assign (residue 21 and name HG2#) (residue 32 and name HN) 5.0 5.0 0.0 ! 050507



!C22

assign (residue 22 and name HN) (residue 22 and name HA) 5.0 5.0 0.0 ! 070507

assign (residue 22 and name HN) (residue 22 and name HB#) 5.0 5.0 0.0 ! 070507

assign (residue 22 and name HN) (residue 23 and name HN) 3.5 3.5 0.0 ! 070507

assign (residue 22 and name HA) (residue 23 and name HN) 5.0 5.0 0.0 ! 070507

assign (residue 22 and name HB#) (residue 23 and name HN) 5.0 5.0 0.0 ! 070507

assign (residue 22 and name HN) (residue 30 and name HN) 6.0 6.0 0.0 ! 070507 ! changed 070208

assign (residue 22 and name HN) (residue 31 and name HA) 5.0 5.0 0.0 ! 120407 ! changed 260907

assign (residue 22 and name HN) (residue 31 and name HD#) 5.0 5.0 0.0 ! 070507

assign (residue 22 and name HN) (residue 31 and name HE#) 6.0 6.0 0.0 ! 070507 ! changed 070208 ! changed 230208d

assign (residue 22 and name HN) (residue 32 and name HN) 5.0 5.0 0.0 ! 070507

assign (residue 22 and name HB#) (residue 32 and name HN) 6.0 6.0 0.0 ! 070507 ! changed 140208

assign (residue 22 and name HB#) (residue 39 and name HA) 5.0 5.0 0.0 ! 070507

assign (residue 22 and name HB#) (residue 39 and name HB#) 6.0 6.0 0.0 ! 070507 ! changed 140208



!W23

assign (residue 23 and name HN) (residue 23 and name HA) 5.0 5.0 0.0 ! 070507

assign (residue 23 and name HN) (residue 23 and name HB#) 5.0 5.0 0.0 ! 070507

assign (residue 23 and name HN) (residue 23 and name HD1) 5.0 5.0 0.0 ! 070507

assign (residue 23 and name HA) (residue 24 and name HN) 3.5 3.5 0.0 ! 070507

assign (residue 23 and name HB#) (residue 24 and name HN) 5.0 5.0 0.0 ! 070507

assign (residue 23 and name HD1) (residue 24 and name HN) 5.0 5.0 0.0 ! 070507 ! changed 220108 ! changed 070208

assign (residue 23 and name HD1) (residue 25 and name HG2#) 6.0 6.0 0.0 ! 070507 ! changed 070208

assign (residue 23 and name HE1) (residue 25 and name HG2#) 5.0 5.0 0.0 ! 120407

assign (residue 23 and name HZ2) (residue 25 and name HG2#) 5.0 5.0 0.0 ! 070507

assign (residue 23 and name HH2) (residue 25 and name HG2#) 6.0 6.0 0.0 ! 290507 ! changed 191207

assign (residue 23 and name HZ3) (residue 28 and name HB#) 5.0 5.0 0.0 ! 210807 ! changed 260907

assign (residue 23 and name HH2) (residue 28 and name HB#) 6.0 6.0 0.0 ! 210807 ! changed 070208

assign (residue 23 and name HD1) (residue 29 and name HA) 6.0 6.0 0.0 ! 210807 ! changed 241007

assign (residue 23 and name HE3) (residue 29 and name HA) 5.0 5.0 0.0 ! 210807

assign (residue 23 and name HN) (residue 30 and name HN) 5.0 5.0 0.0 ! 230507

assign (residue 23 and name HN) (residue 30 and name HB#) 6.0 6.0 0.0 ! 221007

assign (residue 23 and name HB#) (residue 30 and name HN) 5.0 5.0 0.0 ! 070507

assign (residue 23 and name HB#) (residue 30 and name HB#) 6.0 6.0 0.0 ! 230507

assign (residue 23 and name HD1) (residue 30 and name HN) 6.0 6.0 0.0 ! 210807

assign (residue 23 and name HE3) (residue 30 and name HN) 5.0 5.0 0.0 ! 221007 ! changed 070208

assign (residue 23 and name HD1) (residue 30 and name HB#) 6.0 6.0 0.0 ! 210807

assign (residue 23 and name HB#) (residue 30 and name HD2) 6.0 6.0 0.0 ! 070507 ! changed 070208

assign (residue 23 and name HZ3) (residue 30 and name HE1) 6.0 6.0 0.0 ! 230507





!K24

assign (residue 24 and name HN) (residue 24 and name HA) 5.0 5.0 0.0 ! 080507

assign (residue 24 and name HN) (residue 24 and name HB#) 5.0 5.0 0.0 ! 080507

assign (residue 24 and name HN) (residue 24 and name HG#) 5.0 5.0 0.0 ! 080507

assign (residue 24 and name HA) (residue 25 and name HN) 3.5 3.5 0.0 ! 080507 ! changed 260907 ! changed 140208

assign (residue 24 and name HB#) (residue 25 and name HN) 5.0 5.0 0.0 ! 080507

assign (residue 24 and name HG#) (residue 25 and name HN) 5.0 5.0 0.0 ! 080507

assign (residue 24 and name HN) (residue 25 and name HG2#) 6.0 6.0 0.0 ! 080507

assign (residue 24 and name HA) (residue 28 and name HN) 6.0 6.0 0.0 ! 290507 ! changed 140208

assign (residue 24 and name HN) (residue 29 and name HA) 6.0 6.0 0.0 ! 210807 ! changed 140208

assign (residue 24 and name HA) (residue 30 and name HN) 6.0 6.0 0.0 ! 230507 ! changed 070208

assign (residue 24 and name HA) (residue 30 and name HD2) 6.0 6.0 0.0 ! 230507 ! changed 220108





!T25

assign (residue 25 and name HN) (residue 25 and name HA) 5.0 5.0 0.0 ! 080507

assign (residue 25 and name HN) (residue 25 and name HB) 5.0 5.0 0.0 ! 080507

assign (residue 25 and name HN) (residue 25 and name HG2#) 5.0 5.0 0.0 ! 080507

assign (residue 25 and name HN) (residue 26 and name HN) 5.0 5.0 0.0 ! 290507 ! changed 241007

assign (residue 25 and name HA) (residue 26 and name HN) 2.5 2.5 0.0 ! 120407 ! changed 260907

assign (residue 25 and name HG2#) (residue 26 and name HN) 5.0 5.0 0.0 ! 080507

assign (residue 25 and name HN) (residue 27 and name HN) 6.0 6.0 0.0 ! 080507 ! changed 191207

assign (residue 25 and name HN) (residue 28 and name HN) 5.0 5.0 0.0 ! 080507 ! changed 191207 ! changed 140208

assign (residue 25 and name HN) (residue 29 and name HA) 5.0 5.0 0.0 ! 080507



!S26

assign (residue 26 and name HN) (residue 26 and name HA) 5.0 5.0 0.0 ! 080507

assign (residue 26 and name HN) (residue 26 and name HB#) 5.0 5.0 0.0 ! 080507

assign (residue 26 and name HN) (residue 27 and name HN) 3.5 3.5 0.0 ! 120407 ! changed 260907

assign (residue 26 and name HA) (residue 27 and name HN) 3.5 3.5 0.0 ! 080507 ! changed 260907

assign (residue 26 and name HB#) (residue 27 and name HN) 5.0 5.0 0.0 ! 080507

assign (residue 26 and name HB#) (residue 27 and name HG1#) 6.0 6.0 0.0 ! 290507 ! changed 191207

assign (residue 26 and name HB#) (residue 27 and name HG2#) 6.0 6.0 0.0 ! 290507 ! changed 191207

assign (residue 26 and name HN) (residue 28 and name HN) 5.0 5.0 0.0 ! 080507

assign (residue 26 and name HB#) (residue 28 and name HN) 6.0 6.0 0.0 ! 280507




!V27

assign (residue 27 and name HN) (residue 27 and name HA) 5.0 5.0 0.0 ! 080507

assign (residue 27 and name HN) (residue 27 and name HB) 5.0 5.0 0.0 ! 080507

assign (residue 27 and name HN) (residue 27 and name HG#) 5.0 5.0 0.0 ! 080507

assign (residue 27 and name HN) (residue 28 and name HN) 2.5 2.5 0.0 ! 120407 ! changed 260907

assign (residue 27 and name HN) (residue 28 and name HA) 6.0 6.0 0.0 ! 191207

assign (residue 27 and name HA) (residue 28 and name HN) 3.5 3.5 0.0 ! 080507 ! changed 191207

assign (residue 27 and name HB) (residue 28 and name HN) 5.0 5.0 0.0 ! 080507 ! changed 260907 ! changed 191207

assign (residue 27 and name HB) (residue 28 and name HB#) 6.0 6.0 0.0 ! 191207 ! changed 140208

assign (residue 27 and name HG#) (residue 28 and name HN) 5.0 5.0 0.0 ! 080507

assign (residue 27 and name HG1#) (residue 28 and name HB#) 5.0 5.0 0.0 ! 080507 ! changed 191207

assign (residue 27 and name HG2#) (residue 28 and name HB#) 5.0 5.0 0.0 ! 080507 ! changed 191207



!S28

assign (residue 28 and name HN) (residue 28 and name HA) 5.0 5.0 0.0 ! 080507

assign (residue 28 and name HN) (residue 28 and name HB#) 5.0 5.0 0.0 ! 080507

assign (residue 28 and name HN) (residue 29 and name HN) 5.0 5.0 0.0 ! 290507

assign (residue 28 and name HA) (residue 29 and name HN) 3.5 3.5 0.0 ! 080507 ! changed 260907 ! changed 140208

assign (residue 28 and name HB#) (residue 29 and name HN) 5.0 5.0 0.0 ! 080507 ! changed 260907 ! changed 140208

assign (residue 28 and name HB#) (residue 30 and name HD2) 5.0 5.0 0.0 ! 210807




!S29

assign (residue 29 and name HN) (residue 29 and name HA) 5.0 5.0 0.0 ! 080507

assign (residue 29 and name HN) (residue 29 and name HB#) 5.0 5.0 0.0 ! 080507

assign (residue 29 and name HN) (residue 30 and name HN) 5.0 5.0 0.0 ! 080507

assign (residue 29 and name HA) (residue 30 and name HN) 3.5 3.5 0.0 ! 080507

assign (residue 29 and name HN) (residue 30 and name HD2) 6.0 6.0 0.0 ! 230507 ! changed 070208
 
assign (residue 29 and name HB#) (residue 30 and name HN) 5.0 5.0 0.0 ! 080507

assign (residue 29 and name HB#) (residue 31 and name HE#) 5.0 5.0 0.0 ! 080507




!H30

assign (residue 30 and name HN) (residue 30 and name HA) 5.0 5.0 0.0 ! 090507

assign (residue 30 and name HN) (residue 30 and name HB#) 5.0 5.0 0.0 ! 090507

assign (residue 30 and name HN) (residue 30 and name HD2) 5.0 5.0 0.0 ! 090507

assign (residue 30 and name HA) (residue 31 and name HN) 3.5 3.5 0.0 ! 090507

assign (residue 30 and name HA) (residue 31 and name HD#) 5.0 5.0 0.0 ! 210807

assign (residue 30 and name HA) (residue 31 and name HE#) 6.0 6.0 0.0 ! added 070208

assign (residue 30 and name HB#) (residue 31 and name HN) 5.0 5.0 0.0 ! 090507

assign (residue 30 and name HB#) (residue 40 and name HD#) 6.0 6.0 0.0 ! 230507

assign (residue 30 and name HB#) (residue 40 and name HG#) 6.0 6.0 0.0 ! added 070208

assign (residue 30 and name HD2) (residue 41 and name HA) 6.0 6.0 0.0 ! 230507 ! changed 260907

assign (residue 30 and name HE1) (residue 41 and name HA) 5.0 5.0 0.0 ! 120407

assign (residue 30 and name HE1) (residue 41 and name HB#) 6.0 6.0 0.0 ! 090507 ! changed 070208

assign (residue 30 and name HE1) (residue 42 and name HN) 6.0 6.0 0.0 ! 090507 ! changed 070208

assign (residue 30 and name HA) (residue 44 and name HN) 6.0 6.0 0.0 ! 210807



!Y31

assign (residue 31 and name HN) (residue 31 and name HA) 5.0 5.0 0.0 ! 090507

assign (residue 31 and name HN) (residue 31 and name HB#) 5.0 5.0 0.0 ! 090507

assign (residue 31 and name HN) (residue 31 and name HD#) 5.0 5.0 0.0 ! 090507

assign (residue 31 and name HN) (residue 32 and name HN) 6.0 6.0 0.0 ! 090507 ! changed 070208

assign (residue 31 and name HA) (residue 32 and name HN) 2.5 2.5 0.0 ! 120407 ! changed 260907

assign (residue 31 and name HB#) (residue 32 and name HN) 5.0 5.0 0.0 ! 090507

assign (residue 31 and name HD#) (residue 32 and name HN) 5.0 5.0 0.0 ! 090507




!C32

assign (residue 32 and name HN) (residue 32 and name HA) 5.0 5.0 0.0 ! 090507

assign (residue 32 and name HN) (residue 32 and name HB#) 5.0 5.0 0.0 ! 090507

assign (residue 32 and name HN) (residue 33 and name HN) 5.0 5.0 0.0 ! 090507

assign (residue 32 and name HA) (residue 33 and name HN) 2.5 2.5 0.0 ! 120407 ! changed 260907

assign (residue 32 and name HA) (residue 33 and name HG2#) 5.0 5.0 0.0 ! 090507

assign (residue 32 and name HB#) (residue 33 and name HN) 5.0 5.0 0.0 ! 090507

assign (residue 32 and name HN) (residue 34 and name HN) 5.0 5.0 0.0 ! 090507

assign (residue 32 and name HA) (residue 34 and name HN) 5.0 5.0 0.0 ! 090507

assign (residue 32 and name HB#) (residue 34 and name HN) 5.0 5.0 0.0 ! 090507

assign (residue 32 and name HA) (residue 35 and name HN) 6.0 6.0 0.0 ! 090507

assign (residue 32 and name HA) (residue 39 and name HA) 5.0 5.0 0.0 ! 210807

assign (residue 32 and name HA) (residue 40 and name HG#) 5.0 5.0 0.0 ! 210807

assign (residue 32 and name HA) (residue 40 and name HD#) 5.0 5.0 0.0 ! 090507



!T33

assign (residue 33 and name HN) (residue 33 and name HA) 5.0 5.0 0.0 ! 090507

assign (residue 33 and name HN) (residue 33 and name HB) 5.0 5.0 0.0 ! 090507

assign (residue 33 and name HN) (residue 33 and name HG2#) 5.0 5.0 0.0 ! 090507

assign (residue 33 and name HN) (residue 34 and name HN) 3.5 3.5 0.0 ! 120407

assign (residue 33 and name HN) (residue 34 and name HA#) 5.0 5.0 0.0 ! 090507

assign (residue 33 and name HA) (residue 34 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 33 and name HB) (residue 34 and name HN) 6.0 6.0 0.0 ! 210807

assign (residue 33 and name HG2#) (residue 34 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 33 and name HN) (residue 35 and name HN) 5.0 5.0 0.0 ! 120407

assign (residue 33 and name HB) (residue 35 and name HN) 5.0 5.0 0.0 ! 280807

assign (residue 33 and name HG2#) (residue 35 and name HN) 5.0 5.0 0.0 ! 090507

assign (residue 33 and name HN) (residue 36 and name HN) 5.0 5.0 0.0 ! 090507

assign (residue 33 and name HG2#) (residue 36 and name HN) 6.0 6.0 0.0 ! 090507 ! changed 291107

assign (residue 33 and name HG2#) (residue 36 and name HB#) 6.0 6.0 0.0 ! 090507 ! removed 220507 ! readded 280807

assign (residue 33 and name HN) (residue 39 and name HA) 6.0 6.0 0.0 ! 090507 ! changed 291107

assign (residue 33 and name HG2#) (residue 39 and name HA) 6.0 6.0 0.0 ! 090507 ! changed 160507

assign (residue 33 and name HN) (residue 40 and name HG#) 6.0 6.0 0.0 ! 210807

assign (residue 33 and name HN) (residue 40 and name HD#) 5.0 5.0 0.0 ! 090507

assign (residue 33 and name HG2#) (residue 40 and name HA) 6.0 6.0 0.0 ! 230507

assign (residue 33 and name HG2#) (residue 40 and name HG#) 5.0 5.0 0.0 ! 120407

assign (residue 33 and name HG2#) (residue 40 and name HD#) 5.0 5.0 0.0 ! 120407


!G34

assign (residue 34 and name HN) (residue 34 and name HA#) 5.0 5.0 0.0 ! 100507

assign (residue 34 and name HN) (residue 35 and name HN) 3.5 3.5 0.0 ! 120407

assign (residue 34 and name HN) (residue 35 and name HB#) 6.0 6.0 0.0 ! 280807

assign (residue 34 and name HA#) (residue 35 and name HN) 5.0 5.0 0.0 ! 100507

assign (residue 34 and name HN) (residue 36 and name HN) 5.0 5.0 0.0 ! 120407

assign (residue 34 and name HA#) (residue 36 and name HN) 5.0 5.0 0.0 ! 100507



!R35

assign (residue 35 and name HN) (residue 35 and name HA) 5.0 5.0 0.0 ! 100507

assign (residue 35 and name HN) (residue 35 and name HB#) 5.0 5.0 0.0 ! 100507

assign (residue 35 and name HN) (residue 35 and name HG#) 5.0 5.0 0.0 ! 100507

assign (residue 35 and name HN) (residue 36 and name HN) 2.5 2.5 0.0 ! 120407 ! changed 260907

assign (residue 35 and name HN) (residue 36 and name HB#) 5.0 5.0 0.0 ! 100507

assign (residue 35 and name HA) (residue 36 and name HN) 3.5 3.5 0.0 ! 120407

assign (residue 35 and name HB#) (residue 36 and name HN) 5.0 5.0 0.0 ! 100507

assign (residue 35 and name HG#) (residue 36 and name HN) 5.0 5.0 0.0 ! 100507



!S36

assign (residue 36 and name HN) (residue 36 and name HA) 5.0 5.0 0.0 ! 100507

assign (residue 36 and name HN) (residue 36 and name HB#) 5.0 5.0 0.0 ! 100507

assign (residue 36 and name HN) (residue 37 and name HN) 5.0 5.0 0.0 ! 100507

assign (residue 36 and name HA) (residue 37 and name HN) 2.5 2.5 0.0 ! 120407 ! changed 260907

assign (residue 36 and name HB#) (residue 37 and name HN) 3.5 3.5 0.0 ! 100507 ! changed 260907

assign (residue 36 and name HN) (residue 38 and name HN) 5.0 5.0 0.0 ! 100507

assign (residue 36 and name HA) (residue 38 and name HN) 5.0 5.0 0.0 ! 100507

assign (residue 36 and name HB#) (residue 38 and name HN) 5.0 5.0 0.0 ! 100507



!C37

assign (residue 37 and name HN) (residue 37 and name HA) 5.0 5.0 0.0 ! 100507

assign (residue 37 and name HN) (residue 37 and name HB#) 5.0 5.0 0.0 ! 100507

assign (residue 37 and name HN) (residue 38 and name HN) 2.5 2.5 0.0 ! 120407 ! changed 260907

assign (residue 37 and name HA) (residue 38 and name HN) 5.0 5.0 0.0 ! 100507

assign (residue 37 and name HB#) (residue 38 and name HN) 5.0 5.0 0.0 ! 100507



!E38

assign (residue 38 and name HN) (residue 38 and name HA) 5.0 5.0 0.0 ! 100507

assign (residue 38 and name HN) (residue 38 and name HB#) 5.0 5.0 0.0 ! 100507

assign (residue 38 and name HN) (residue 38 and name HG#) 5.0 5.0 0.0 ! 100507

assign (residue 38 and name HN) (residue 39 and name HN) 5.0 5.0 0.0 ! 160507

assign (residue 38 and name HA) (residue 39 and name HN) 2.5 2.5 0.0 ! 120407 ! changed 260907

assign (residue 38 and name HA) (residue 39 and name HB#) 5.0 5.0 0.0 ! 160507

assign (residue 38 and name HB#) (residue 39 and name HN) 5.0 5.0 0.0 ! 100507

assign (residue 38 and name HG#) (residue 39 and name HN) 5.0 5.0 0.0 ! 100507




!C39

assign (residue 39 and name HN) (residue 39 and name HA) 5.0 5.0 0.0 ! 100507

assign (residue 39 and name HN) (residue 39 and name HB#) 5.0 5.0 0.0 ! 100507

assign (residue 39 and name HN) (residue 40 and name HD#) 6.0 6.0 0.0 ! 160507

assign (residue 39 and name HA) (residue 40 and name HG#) 5.0 5.0 0.0 ! 210807

assign (residue 39 and name HA) (residue 40 and name HD#) 3.5 3.5 0.0 ! 120407

assign (residue 39 and name HB#) (residue 40 and name HD#) 5.0 5.0 0.0 ! 160507




!P40

assign (residue 40 and name HA) (residue 41 and name HN) 2.5 2.5 0.0 ! 120407 ! changed 260907

assign (residue 40 and name HB#) (residue 41 and name HN) 5.0 5.0 0.0 ! 100507

assign (residue 40 and name HG#) (residue 41 and name HN) 6.0 6.0 0.0 ! 100507

assign (residue 40 and name HA) (residue 42 and name HN) 5.0 5.0 0.0 ! 100507

assign (residue 40 and name HB#) (residue 42 and name HN) 5.0 5.0 0.0 ! 100507

assign (residue 40 and name HB#) (residue 42 and name HE#) 5.0 5.0 0.0 ! 210807




!S41

assign (residue 41 and name HN) (residue 41 and name HA) 5.0 5.0 0.0 ! 100507

assign (residue 41 and name HN) (residue 41 and name HB#) 5.0 5.0 0.0 ! 100507

assign (residue 41 and name HN) (residue 42 and name HN) 3.5 3.5 0.0 ! 120407

assign (residue 41 and name HN) (residue 42 and name HD#) 6.0 6.0 0.0 ! 210807 

assign (residue 41 and name HA) (residue 42 and name HN) 3.5 3.5 0.0 ! 100507

assign (residue 41 and name HB#) (residue 42 and name HN) 5.0 5.0 0.0 ! 100507



!Y42

assign (residue 42 and name HN) (residue 42 and name HA) 5.0 5.0 0.0 ! 100507

assign (residue 42 and name HN) (residue 42 and name HB#) 5.0 5.0 0.0 ! 100507

assign (residue 42 and name HN) (residue 42 and name HD#) 5.0 5.0 0.0 ! 100507

assign (residue 42 and name HA) (residue 43 and name HG#) 6.0 6.0 0.0 ! 280807

assign (residue 42 and name HA) (residue 43 and name HD#) 3.5 3.5 0.0 ! 120407

assign (residue 42 and name HB#) (residue 43 and name HD#) 5.0 5.0 0.0 ! 100507

assign (residue 42 and name HD#) (residue 43 and name HD#) 6.0 6.0 0.0 ! 160507




!P43

assign (residue 43 and name HA) (residue 44 and name HN) 3.5 3.5 0.0 ! 120407 ! changed 260907

assign (residue 43 and name HB#) (residue 44 and name HN) 5.0 5.0 0.0 ! 160507

assign (residue 43 and name HG#) (residue 44 and name HN) 5.0 5.0 0.0 ! 160507

assign (residue 43 and name HD#) (residue 44 and name HN) 6.0 6.0 0.0 ! 210807



!G44

assign (residue 44 and name HN) (residue 44 and name HA#) 5.0 5.0 0.0 ! 100507




! AMBIGUOUS CONSTRAINTS





assign (residue 9 and name HA) ((residue 16 and name HB#) or (residue 17 and name HB#)) 5.0 5.0 0.0 ! 170907

assign (residue 9 and name HB#) ((residue 16 and name HB#) or (residue 16 and name HD#)) 6.0 6.0 0.0 ! 170907


assign (residue 10 and name HA) ((residue 11 and name HG#) or (residue 14 and name HG#) or (residue 16 and name HG#)) 5.0 5.0 0.0 ! 100807 


assign (residue 11 and name HN) ((residue 14 and name HB#) or (residue 16 and name HD#)) 5.0 5.0 0.0 ! 100807 


assign (residue 12 and name HG#) ((residue 11 and name HG#) or (residue 14 and name HG#) or (residue 16 and name HG#)) 5.0 5.0 0.0 ! 100807 


assign (residue 13 and name HN) ((residue 11 and name HG#) or (residue 14 and name HG#) or (residue 16 and name HG#)) 5.0 5.0 0.0 ! 100807 ! changed 170907 

assign (residue 13 and name HN) ((residue 14 and name HB#) or (residue 16 and name HD#)) 5.0 5.0 0.0 ! 170907


assign (residue 23 and name HH2) ((residue 25 and name HA) or (residue 25 and name HB)) 6.0 6.0 0.0 ! 230807 ! changed 191207 ! changed 210208

assign (residue 23 and name HD1) ((residue 25 and name HA) or (residue 25 and name HB)) 6.0 6.0 0.0 ! 230807 ! changed 191207 ! changed 210208

assign (residue 23 and name HZ2) ((residue 25 and name HA) or (residue 25 and name HB)) 6.0 6.0 0.0 ! 191207 ! changed 210208

assign (residue 23 and name HE1) ((residue 25 and name HA) or (residue 25 and name HB)) 6.0 6.0 0.0 ! 290507 

assign (residue 23 and name HE3) ((residue 22 and name HB#) or (residue 39 and name HB#)) 6.0 6.0 0.0 ! 230807


assign (residue 26 and name HA) ((residue 25 and name HG2#) or (residue 27 and name HG#)) 6.0 6.0 0.0 ! 191207 

assign (residue 26 and name HB#) ((residue 25 and name HA) or (residue 25 and name HB)) 5.0 5.0 0.0 ! 290507 


assign (residue 27 and name HN) ((residue 25 and name HA) or (residue 25 and name HB)) 5.0 5.0 0.0 ! 290507 ! changed 090208 


assign (residue 28 and name HN) ((residue 25 and name HA) or (residue 25 and name HB)) 5.0 5.0 0.0 ! 290507 


assign (residue 30 and name HD2) ((residue 22 and name HA) or (residue 29 and name HA)) 6.0 6.0 0.0 ! 230807

assign (residue 30 and name HD2) ((residue 27 and name HA) or (residue 43 and name HA)) 6.0 6.0 0.0 ! 070208

assign (residue 30 and name HD2) ((residue 25 and name HG2#) or (residue 27 and name HG#)) 6.0 6.0 0.0 ! 230807

assign (residue 30 and name HN) ((residue 31 and name HE#) or (residue 42 and name HE#)) 6.0 6.0 0.0 ! 210807 ! changed 070208

assign (residue 30 and name HD2) ((residue 40 and name HB#) or (residue 43 and name HB#)) 5.0 5.0 0.0 ! 210807 


assign (residue 31 and name HD#) ((residue 28 and name HB#) or (residue 44 and name HA#)) 6.0 6.0 0.0 ! 230807

assign (residue 31 and name HE#) ((residue 29 and name HN) or (residue 34 and name HN)) 6.0 6.0 0.0 ! 230807


assign (residue 44 and name HA#) ((residue 31 and name HE#) or (residue 42 and name HE#)) 5.0 5.0 0.0 ! 280807 




! H-BOND CONSTRAINTS



assign (residue 9 and name o) (residue 16 and name hn) 2.0 2.0 0.3 ! 130807
assign (residue 9 and name o) (residue 16 and name n) 3.0 0.5 0.3 ! 130807











  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           H1       ALA   1  17.581   2.777  -0.749
    2    H2   ALA   1           H2       ALA   1  16.795   2.620  -2.264
    3    H3   ALA   1           H3       ALA   1  18.295   1.832  -1.990
    4    HA   ALA   1           HB1      ALA   1  19.482   3.749  -2.045
    5    HB1  ALA   1           HB2      ALA   1  18.255   2.987  -4.216
    6    HB2  ALA   1           HB3      ALA   1  17.375   4.503  -4.020
    7    HB3  ALA   1           HXT      ALA   1  19.130   4.518  -4.187

  No H/Q in entry =           7
  In of MODEL    1
    1    H    MET   2           H        MET   2  16.094   4.335  -1.421
    2    HB2  MET   2           HG2      MET   2  15.754   6.985  -2.588
    3    HB3  MET   2           HG3      MET   2  14.270   6.880  -1.650
    4    HE1  MET   2           HE2      MET   2  13.452  10.308  -1.826
    5    HE2  MET   2           HE3      MET   2  14.356  11.695  -2.436
    6    HE3  MET   2           HXT      MET   2  13.492  10.642  -3.557
    7    HA   MET   2           HB1      MET   2  16.812   6.854  -0.120
    8    HG2  MET   2           HD2      MET   2  14.515   8.939  -0.768
    9    HG3  MET   2           HD3      MET   2  16.273   8.823  -0.702

  No H/Q in entry =           9
  In of MODEL    1
    1    H    ASP   3           H        ASP   3  14.763   7.727   1.065
    2    HA   ASP   3           HB1      ASP   3  13.668   5.464   2.567
    3    HB2  ASP   3           HG2      ASP   3  14.887   7.587   3.566
    4    HB3  ASP   3           HG3      ASP   3  13.284   8.302   3.422

  No H/Q in entry =           4
  In of MODEL    1
    1    H    CYS   4           H        CYS   4  12.600   6.069  -0.016
    2    HA   CYS   4           HB1      CYS   4  10.006   7.293   0.563
    3    HB2  CYS   4           HG2      CYS   4  11.437   6.585  -1.988
    4    HB3  CYS   4           HG3      CYS   4   9.718   6.963  -1.978

  No H/Q in entry =           4
  In of MODEL    1
    1    H    THR   5           H        THR   5  11.491   4.239  -0.255
    2    HG1  THR   5          HG21      THR   5  10.001   3.557   2.618
    3   HG21  THR   5          HG22      THR   5   8.450   0.791   0.211
    4   HG22  THR   5          HG23      THR   5   9.212   0.528   1.780
    5   HG23  THR   5           HXT      THR   5   7.606   1.250   1.690
    6    HA   THR   5           HB1      THR   5  10.701   2.108  -0.313
    7    HB   THR   5          HG12      THR   5   8.405   3.289   1.263

  No H/Q in entry =           7
  In of MODEL    1
    1    H    THR   6           H        THR   6  10.443   2.519  -2.643
    2    HG1  THR   6          HG21      THR   6  11.086   1.399  -4.160
    3   HG21  THR   6          HG22      THR   6   9.754   4.355  -5.065
    4   HG22  THR   6          HG23      THR   6  11.245   3.467  -4.749
    5   HG23  THR   6           HXT      THR   6  10.556   3.483  -6.373
    6    HA   THR   6           HB1      THR   6   8.054   3.303  -3.851
    7    HB   THR   6          HG12      THR   6   8.890   2.017  -5.837

  No H/Q in entry =           7
  In of MODEL    1
    1    H    GLY   7           H        GLY   7   6.105   2.427  -3.689
    2    HA2  GLY   7           HA3      GLY   7   5.325   0.151  -2.459
    3    HA3  GLY   7           HXT      GLY   7   5.741  -0.415  -4.069

  No H/Q in entry =           3
  In of MODEL    1
    1    HB2  PRO   8           HG2      PRO   8   0.514  -1.177  -3.611
    2    HB3  PRO   8           HG3      PRO   8   0.339  -1.255  -5.368
    3    HG2  PRO   8           HD2      PRO   8   1.819  -3.048  -4.073
    4    HD2  PRO   8           HD3      PRO   8   3.347  -1.762  -2.918
    5    HG3  PRO   8           HD3      PRO   8   2.330  -2.412  -5.648
    6    HD3  PRO   8           HXT      PRO   8   4.229  -1.879  -4.454
    7    HA   PRO   8           HB1      PRO   8   1.776   0.507  -5.721

  No H/Q in entry =           7
  In of MODEL    1
    1    H    CYS   9           H        CYS   9   2.179   0.787  -2.254
    2    HA   CYS   9           HB1      CYS   9  -0.081   2.640  -2.076
    3    HB2  CYS   9           HG2      CYS   9   0.195   0.797  -0.389
    4    HB3  CYS   9           HG3      CYS   9   1.660   1.600   0.165

  No H/Q in entry =           4
  In of MODEL    1
    1    H    CYS  10           H        CYS  10   2.395   3.344  -3.461
    2    HA   CYS  10           HB1      CYS  10   2.810   5.905  -2.243
    3    HB2  CYS  10           HG2      CYS  10   4.860   3.760  -1.990
    4    HB3  CYS  10           HG3      CYS  10   5.426   5.387  -2.352

  No H/Q in entry =           4
  In of MODEL    1
    1    H    ARG  11           H        ARG  11   2.823   7.254  -3.903
    2    HB2  ARG  11           HG2      ARG  11   2.605   8.967  -5.269
    3    HB3  ARG  11           HG3      ARG  11   3.231   9.003  -6.912
    4    HG2  ARG  11           HD2      ARG  11   1.390   7.215  -7.357
    5    HD2  ARG  11           HD3      ARG  11   0.550  10.059  -6.834
    6    HG3  ARG  11           HD3      ARG  11   0.673   7.870  -5.884
    7    HE   ARG  11          HH12      ARG  11  -0.408   8.697  -9.171
    8   HH11  ARG  11          HH21      ARG  11  -0.979   9.279  -5.777
    9   HH12  ARG  11          HH22      ARG  11  -2.676   8.952  -5.879
   10    HD3  ARG  11           HXT      ARG  11   1.495   9.561  -8.237
   11   HH21  ARG  11           HXT      ARG  11  -2.641   8.266  -9.306
   12   HH22  ARG  11           H1       ARG  11  -3.620   8.376  -7.881
   13    HA   ARG  11           HB1      ARG  11   3.281   6.372  -6.578

  No H/Q in entry =          13
  In of MODEL    1
    1    H    GLN  12           H        GLN  12   4.834   9.171  -5.038
    2    HB2  GLN  12           HG2      GLN  12   6.293  11.083  -5.558
    3    HB3  GLN  12           HG3      GLN  12   7.962  10.810  -6.038
    4   HE21  GLN  12          HE22      GLN  12   6.603  12.952  -6.720
    5   HE22  GLN  12           HXT      GLN  12   7.440  13.775  -7.987
    6    HA   GLN  12           HB1      GLN  12   7.354   8.365  -6.328
    7    HG2  GLN  12           HD2      GLN  12   6.883   9.724  -8.146
    8    HG3  GLN  12           HD3      GLN  12   5.474  10.671  -7.671

  No H/Q in entry =           8
  In of MODEL    1
    1    H    CYS  13           H        CYS  13   5.831   9.175  -3.315
    2    HA   CYS  13           HB1      CYS  13   7.911   8.034  -1.782
    3    HB2  CYS  13           HG2      CYS  13   8.731  10.439  -2.519
    4    HB3  CYS  13           HG3      CYS  13   7.701  10.953  -1.187

  No H/Q in entry =           4
  In of MODEL    1
    1    H    LYS  14           H        LYS  14   5.194  10.291  -1.832
    2    HB2  LYS  14           HG2      LYS  14   2.306  10.964   0.196
    3    HB3  LYS  14           HG3      LYS  14   3.684  11.877  -0.405
    4    HG2  LYS  14           HG3      LYS  14   3.281  10.275  -2.507
    5    HG3  LYS  14           HD2      LYS  14   1.636  10.341  -1.873
    6    HD2  LYS  14           HD3      LYS  14   1.707  12.138  -3.349
    7    HE2  LYS  14           HE3      LYS  14   4.359  11.943  -3.334
    8    HE3  LYS  14           HZ1      LYS  14   3.518  13.373  -3.931
    9    HZ1  LYS  14           HZ2      LYS  14   3.727  14.056  -1.413
   10    HZ2  LYS  14           HZ3      LYS  14   5.058  13.014  -1.473
   11    HD3  LYS  14           HXT      LYS  14   2.016  12.893  -1.784
   12    HZ3  LYS  14           HXT      LYS  14   4.979  14.345  -2.514
   13    HA   LYS  14           HB1      LYS  14   4.461   9.970   0.882

  No H/Q in entry =          13
  In of MODEL    1
    1    H    LEU  15           H        LEU  15   2.637   8.836   1.747
    2   HD11  LEU  15          HD12      LEU  15   1.059   5.963   4.806
    3   HD12  LEU  15          HD13      LEU  15   2.758   5.938   5.278
    4   HD13  LEU  15          HD21      LEU  15   1.743   7.314   5.711
    5   HD21  LEU  15          HD22      LEU  15   4.167   7.753   2.705
    6   HD22  LEU  15          HD23      LEU  15   3.766   8.760   4.096
    7   HD23  LEU  15           HXT      LEU  15   4.335   7.109   4.338
    8    HG   LEU  15           HXT      LEU  15   1.664   8.107   3.525
    9    HA   LEU  15           HB1      LEU  15   2.129   6.313   0.330
   10    HB2  LEU  15           HG2      LEU  15   1.301   5.637   2.698
   11    HB3  LEU  15           HG3      LEU  15   3.020   5.709   2.365

  No H/Q in entry =          11
  In of MODEL    1
    1    H    LYS  16           H        LYS  16   0.085   5.591  -0.064
    2    HB2  LYS  16           HG2      LYS  16  -2.275   4.445  -0.014
    3    HB3  LYS  16           HG3      LYS  16  -3.417   5.498  -0.839
    4    HG2  LYS  16           HG3      LYS  16  -0.673   5.468  -1.916
    5    HG3  LYS  16           HD2      LYS  16  -1.607   3.983  -2.106
    6    HD2  LYS  16           HD3      LYS  16  -2.377   4.997  -3.965
    7    HE2  LYS  16           HE3      LYS  16  -0.782   7.035  -3.190
    8    HE3  LYS  16           HZ1      LYS  16  -1.827   7.080  -4.609
    9    HZ1  LYS  16           HZ2      LYS  16  -3.053   7.859  -2.091
   10    HZ2  LYS  16           HZ3      LYS  16  -1.882   8.918  -2.700
   11    HD3  LYS  16           HXT      LYS  16  -3.445   5.832  -2.835
   12    HZ3  LYS  16           HXT      LYS  16  -3.235   8.524  -3.635
   13    HA   LYS  16           HB1      LYS  16  -1.966   7.418  -0.469

  No H/Q in entry =          13
  In of MODEL    1
    1    HB2  PRO  17           HG2      PRO  17  -6.507   7.477   2.014
    2    HB3  PRO  17           HG3      PRO  17  -6.112   8.975   2.864
    3    HG2  PRO  17           HD2      PRO  17  -6.230   8.916   0.206
    4    HD2  PRO  17           HD3      PRO  17  -4.738   7.254  -0.370
    5    HG3  PRO  17           HD3      PRO  17  -4.992   9.871   1.042
    6    HD3  PRO  17           HXT      PRO  17  -3.585   8.601  -0.269
    7    HA   PRO  17           HB1      PRO  17  -3.969   8.291   3.347

  No H/Q in entry =           7
  In of MODEL    1
    1    H    ALA  18           H        ALA  18  -4.616   7.242   5.176
    2    HA   ALA  18           HB1      ALA  18  -4.339   4.459   5.341
    3    HB1  ALA  18           HB2      ALA  18  -5.186   6.616   7.180
    4    HB2  ALA  18           HB3      ALA  18  -3.950   5.373   7.378
    5    HB3  ALA  18           HXT      ALA  18  -5.651   4.971   7.613

  No H/Q in entry =           5
  In of MODEL    1
    1    H    GLY  19           H        GLY  19  -5.660   3.065   4.357
    2    HA2  GLY  19           HA3      GLY  19  -8.566   3.433   4.743
    3    HA3  GLY  19           HXT      GLY  19  -7.773   1.867   4.657

  No H/Q in entry =           3
  In of MODEL    1
    1    H    THR  20           H        THR  20  -6.047   2.883   2.415
    2    HG1  THR  20          HG21      THR  20  -6.078   5.794   0.684
    3   HG21  THR  20          HG22      THR  20  -6.074   3.111  -1.993
    4   HG22  THR  20          HG23      THR  20  -7.429   4.232  -1.863
    5   HG23  THR  20           HXT      THR  20  -5.779   4.849  -1.954
    6    HA   THR  20           HB1      THR  20  -8.084   2.872   0.288
    7    HB   THR  20          HG12      THR  20  -5.253   3.934   0.190

  No H/Q in entry =           7
  In of MODEL    1
    1    H    THR  21           H        THR  21  -8.305   0.879  -0.492
    2    HG1  THR  21          HG21      THR  21  -9.685  -0.210  -1.539
    3   HG21  THR  21          HG22      THR  21  -7.590  -2.992  -0.160
    4   HG22  THR  21          HG23      THR  21  -9.100  -3.293  -1.019
    5   HG23  THR  21           HXT      THR  21  -7.559  -3.456  -1.861
    6    HA   THR  21           HB1      THR  21  -6.430  -1.186  -0.276
    7    HB   THR  21          HG12      THR  21  -8.233  -1.396  -2.584

  No H/Q in entry =           7
  In of MODEL    1
    1    H    CYS  22           H        CYS  22  -4.448  -1.082  -1.113
    2    HA   CYS  22           HB1      CYS  22  -3.850   0.336  -3.527
    3    HB2  CYS  22           HG2      CYS  22  -1.556  -0.613  -3.196
    4    HB3  CYS  22           HG3      CYS  22  -2.174   0.272  -1.805

  No H/Q in entry =           4
  In of MODEL    1
    1    H    TRP  23           H        TRP  23  -4.094  -3.075  -2.614
    2    HE1  TRP  23           HE3      TRP  23  -2.072  -6.680  -8.297
    3    HE3  TRP  23           HZ2      TRP  23  -2.319  -8.059  -3.138
    4    HZ2  TRP  23           HZ3      TRP  23  -1.272  -9.348  -7.839
    5    HZ3  TRP  23           HH2      TRP  23  -1.516 -10.318  -3.692
    6    HH2  TRP  23           HXT      TRP  23  -1.005 -10.948  -5.995
    7    HA   TRP  23           HB1      TRP  23  -3.955  -3.777  -5.473
    8    HB2  TRP  23           HG2      TRP  23  -2.243  -4.696  -3.680
    9    HB3  TRP  23           HG3      TRP  23  -3.549  -5.825  -3.335
   10    HD1  TRP  23           HD2      TRP  23  -2.904  -4.670  -6.921

  No H/Q in entry =          10
  In of MODEL    1
    1    H    LYS  24           H        LYS  24  -5.768  -4.484  -6.372
    2    HB2  LYS  24           HG2      LYS  24  -8.478  -3.404  -5.402
    3    HB3  LYS  24           HG3      LYS  24  -8.256  -3.914  -7.070
    4    HG2  LYS  24           HG3      LYS  24 -10.203  -5.067  -7.126
    5    HG3  LYS  24           HD2      LYS  24 -10.116  -5.514  -5.421
    6    HD2  LYS  24           HD3      LYS  24 -10.477  -2.640  -6.018
    7    HE2  LYS  24           HE3      LYS  24 -10.433  -3.773  -3.731
    8    HE3  LYS  24           HZ1      LYS  24 -11.749  -2.645  -4.055
    9    HZ1  LYS  24           HZ2      LYS  24 -13.128  -4.601  -4.653
   10    HZ2  LYS  24           HZ3      LYS  24 -11.876  -5.609  -4.125
   11    HD3  LYS  24           HXT      LYS  24 -11.842  -3.698  -6.383
   12    HZ3  LYS  24           HXT      LYS  24 -12.651  -4.577  -3.030
   13    HA   LYS  24           HB1      LYS  24  -7.840  -5.650  -4.630

  No H/Q in entry =          13
  In of MODEL    1
    1    H    THR  25           H        THR  25  -6.859  -7.713  -5.158
    2    HG1  THR  25          HG21      THR  25  -4.641  -8.138  -7.057
    3   HG21  THR  25          HG22      THR  25  -5.891  -9.855  -8.852
    4   HG22  THR  25          HG23      THR  25  -4.341 -10.231  -8.100
    5   HG23  THR  25           HXT      THR  25  -5.685 -11.364  -7.963
    6    HA   THR  25           HB1      THR  25  -7.320  -8.607  -7.917
    7    HB   THR  25          HG12      THR  25  -5.970 -10.389  -5.967

  No H/Q in entry =           7
  In of MODEL    1
    1    H    SER  26           H        SER  26  -8.082 -10.914  -8.124
    2    HG   SER  26           HXT      SER  26 -11.576 -13.201  -9.276
    3    HA   SER  26           HB1      SER  26 -10.575 -11.184  -6.774
    4    HB2  SER  26           HG2      SER  26  -9.671 -12.042  -9.166
    5    HB3  SER  26           HG3      SER  26  -9.476 -13.524  -8.230

  No H/Q in entry =           5
  In of MODEL    1
    1    H    VAL  27           H        VAL  27  -7.399 -12.579  -6.369
    2    HB   VAL  27          HG12      VAL  27  -5.769 -14.811  -4.052
    3   HG11  VAL  27          HG12      VAL  27  -7.114 -15.783  -6.168
    4   HG12  VAL  27          HG13      VAL  27  -5.869 -14.851  -7.000
    5   HG13  VAL  27          HG21      VAL  27  -5.409 -16.116  -5.861
    6   HG21  VAL  27          HG22      VAL  27  -5.427 -12.340  -4.589
    7   HG22  VAL  27          HG23      VAL  27  -4.190 -13.464  -5.150
    8   HG23  VAL  27           HXT      VAL  27  -5.387 -12.834  -6.281
    9    HA   VAL  27           HB1      VAL  27  -8.223 -14.688  -4.621

  No H/Q in entry =           9
  In of MODEL    1
    1    H    SER  28           H        SER  28  -7.177 -11.370  -4.213
    2    HG   SER  28           HXT      SER  28  -7.267 -12.166   0.374
    3    HA   SER  28           HB1      SER  28  -8.317 -11.111  -1.664
    4    HB2  SER  28           HG2      SER  28  -6.036 -12.528  -1.401
    5    HB3  SER  28           HG3      SER  28  -5.383 -10.893  -1.292

  No H/Q in entry =           5
  In of MODEL    1
    1    H    SER  29           H        SER  29  -6.887  -9.111  -0.515
    2    HG   SER  29           HXT      SER  29  -9.781  -7.269  -1.455
    3    HA   SER  29           HB1      SER  29  -6.026  -7.169  -2.447
    4    HB2  SER  29           HG2      SER  29  -7.851  -5.514  -1.697
    5    HB3  SER  29           HG3      SER  29  -8.312  -6.760  -2.857

  No H/Q in entry =           5
  In of MODEL    1
    1    H    HIS  30           H        HIS  30  -4.786  -5.605  -1.528
    2    HD1  HIS  30           HD2      HIS  30  -0.202  -6.221   0.591
    3    HD2  HIS  30           HE1      HIS  30  -3.780  -7.825  -0.784
    4    HE1  HIS  30           HE2      HIS  30   0.290  -8.637   0.098
    5    HE2  HIS  30           HXT      HIS  30  -1.911  -9.608  -0.651
    6    HA   HIS  30           HB1      HIS  30  -4.437  -5.773   1.380
    7    HB2  HIS  30           HG2      HIS  30  -2.609  -4.615  -0.735
    8    HB3  HIS  30           HG3      HIS  30  -2.248  -4.706   0.986

  No H/Q in entry =           8
  In of MODEL    1
    1    H    TYR  31           H        TYR  31  -4.066  -3.802   2.589
    2    HD1  TYR  31           HD2      TYR  31  -7.937  -0.177   2.558
    3    HD2  TYR  31           HE1      TYR  31  -7.233  -4.358   2.915
    4    HE1  TYR  31           HE2      TYR  31 -10.184  -0.626   1.666
    5    HE2  TYR  31           HH       TYR  31  -9.478  -4.818   2.023
    6    HH   TYR  31           HXT      TYR  31 -11.705  -3.564   1.904
    7    HA   TYR  31           HB1      TYR  31  -5.360  -1.445   1.385
    8    HB2  TYR  31           HG2      TYR  31  -5.807  -2.734   4.057
    9    HB3  TYR  31           HG3      TYR  31  -6.077  -1.005   3.860

  No H/Q in entry =           9
  In of MODEL    1
    1    H    CYS  32           H        CYS  32  -4.897   0.576   2.765
    2    HA   CYS  32           HB1      CYS  32  -2.029   0.569   3.435
    3    HB2  CYS  32           HG2      CYS  32  -3.791   2.744   2.302
    4    HB3  CYS  32           HG3      CYS  32  -2.170   3.045   2.918

  No H/Q in entry =           4
  In of MODEL    1
    1    H    THR  33           H        THR  33  -1.470   0.996   5.465
    2    HG1  THR  33          HG21      THR  33  -0.052   1.544   7.779
    3   HG21  THR  33          HG22      THR  33  -3.363  -0.476   7.330
    4   HG22  THR  33          HG23      THR  33  -1.787  -1.233   7.566
    5   HG23  THR  33           HXT      THR  33  -2.801  -0.853   8.958
    6    HA   THR  33           HB1      THR  33  -3.532   1.932   7.316
    7    HB   THR  33          HG12      THR  33  -1.972   1.189   9.084

  No H/Q in entry =           7
  In of MODEL    1
    1    H    GLY  34           H        GLY  34  -1.934   3.649   5.387
    2    HA2  GLY  34           HA3      GLY  34  -1.761   5.965   6.876
    3    HA3  GLY  34           HXT      GLY  34  -0.886   5.693   5.377

  No H/Q in entry =           3
  In of MODEL    1
    1    H    ARG  35           H        ARG  35   0.587   3.405   6.610
    2    HB2  ARG  35           HG2      ARG  35   1.153   2.595   8.976
    3    HB3  ARG  35           HG3      ARG  35   2.633   1.988   8.248
    4    HG2  ARG  35           HD2      ARG  35   2.767   4.083  10.371
    5    HD2  ARG  35           HD3      ARG  35   4.569   2.158   9.060
    6    HG3  ARG  35           HD3      ARG  35   2.522   2.390  10.805
    7    HE   ARG  35          HH12      ARG  35   4.467   2.240  11.930
    8   HH11  ARG  35          HH21      ARG  35   6.546   1.857   9.153
    9   HH12  ARG  35          HH22      ARG  35   7.754   0.974  10.023
   10    HD3  ARG  35           HXT      ARG  35   4.907   3.752   9.734
   11   HH21  ARG  35           HXT      ARG  35   6.056   1.078  13.076
   12   HH22  ARG  35           H1       ARG  35   7.477   0.531  12.250
   13    HA   ARG  35           HB1      ARG  35   2.365   4.931   8.390

  No H/Q in entry =          13
  In of MODEL    1
    1    H    SER  36           H        SER  36   2.696   2.105   6.268
    2    HG   SER  36           HXT      SER  36   7.188   1.273   5.012
    3    HA   SER  36           HB1      SER  36   5.049   3.397   5.054
    4    HB2  SER  36           HG2      SER  36   5.800   1.614   6.540
    5    HB3  SER  36           HG3      SER  36   4.711   0.470   5.755

  No H/Q in entry =           5
  In of MODEL    1
    1    H    CYS  37           H        CYS  37   5.646   2.304   2.922
    2    HA   CYS  37           HB1      CYS  37   3.311   2.352   1.242
    3    HB2  CYS  37           HG2      CYS  37   6.119   1.678   0.376
    4    HB3  CYS  37           HG3      CYS  37   4.817   2.353  -0.597

  No H/Q in entry =           4
  In of MODEL    1
    1    H    GLU  38           H        GLU  38   5.371  -0.068   2.639
    2    HB2  GLU  38           HG2      GLU  38   5.766  -1.963   3.724
    3    HB3  GLU  38           HG3      GLU  38   5.252  -3.543   3.148
    4    HA   GLU  38           HB1      GLU  38   4.838  -2.206   0.898
    5    HG2  GLU  38           HD2      GLU  38   7.413  -1.831   1.942
    6    HG3  GLU  38           HD3      GLU  38   7.651  -3.270   2.931

  No H/Q in entry =           6
  In of MODEL    1
    1    H    CYS  39           H        CYS  39   2.763  -2.585   0.337
    2    HA   CYS  39           HB1      CYS  39   0.516  -2.324   1.976
    3    HB2  CYS  39           HG2      CYS  39   1.006  -3.969  -0.504
    4    HB3  CYS  39           HG3      CYS  39  -0.569  -3.879   0.277

  No H/Q in entry =           4
  In of MODEL    1
    1    HB2  PRO  40           HG2      PRO  40  -1.410  -5.143   5.520
    2    HB3  PRO  40           HG3      PRO  40   0.004  -5.365   6.556
    3    HG2  PRO  40           HD2      PRO  40  -0.959  -2.930   6.086
    4    HD2  PRO  40           HD3      PRO  40  -0.950  -2.779   3.783
    5    HG3  PRO  40           HD3      PRO  40   0.790  -3.216   6.169
    6    HD3  PRO  40           HXT      PRO  40   0.718  -2.249   4.077
    7    HA   PRO  40           HB1      PRO  40   1.408  -5.766   4.777

  No H/Q in entry =           7
  In of MODEL    1
    1    H    SER  41           H        SER  41   0.442  -7.869   5.187
    2    HG   SER  41           HXT      SER  41   0.957  -9.886   5.613
    3    HA   SER  41           HB1      SER  41  -1.128  -8.795   2.883
    4    HB2  SER  41           HG2      SER  41  -0.201 -10.982   3.264
    5    HB3  SER  41           HG3      SER  41   1.128  -9.824   3.311

  No H/Q in entry =           5
  In of MODEL    1
    1    H    TYR  42           H        TYR  42  -2.344  -7.485   5.154
    2    HD1  TYR  42           HD2      TYR  42  -0.879  -8.011   7.150
    3    HD2  TYR  42           HE1      TYR  42  -3.843  -9.612   9.749
    4    HE1  TYR  42           HE2      TYR  42   0.878  -9.136   8.451
    5    HE2  TYR  42           HH       TYR  42  -2.094 -10.741  11.057
    6    HH   TYR  42           HXT      TYR  42   0.558 -10.219  11.424
    7    HA   TYR  42           HB1      TYR  42  -3.903  -9.720   6.276
    8    HB2  TYR  42           HG2      TYR  42  -3.276  -7.004   7.440
    9    HB3  TYR  42           HG3      TYR  42  -4.483  -8.091   8.118

  No H/Q in entry =           9
  In of MODEL    1
    1    HB2  PRO  43           HG2      PRO  43  -8.104 -10.187   3.825
    2    HB3  PRO  43           HG3      PRO  43  -7.846  -9.360   2.285
    3    HG2  PRO  43           HD2      PRO  43  -6.390 -11.489   2.938
    4    HD2  PRO  43           HD3      PRO  43  -5.452 -10.912   4.964
    5    HG3  PRO  43           HD3      PRO  43  -5.658 -10.110   2.097
    6    HD3  PRO  43           HXT      PRO  43  -4.232 -10.173   3.906
    7    HA   PRO  43           HB1      PRO  43  -6.730  -7.601   3.266

  No H/Q in entry =           7
  In of MODEL    1
    1    H    GLY  44           H        GLY  44  -9.296  -7.645   3.471
    2    HA2  GLY  44           HA3      GLY  44 -10.137  -6.091   5.480
    3    HA3  GLY  44           HXT      GLY  44 -10.199  -7.678   6.233

  No H/Q in entry =           3
  In of MODEL    2
    1    H1   ALA   1           H1       ALA   1  14.680   1.169   4.895
    2    H2   ALA   1           H2       ALA   1  15.512   0.485   3.562
    3    H3   ALA   1           H3       ALA   1  16.035   1.979   4.223
    4    HA   ALA   1           HB1      ALA   1  14.902   2.408   2.239
    5    HB1  ALA   1           HB2      ALA   1  12.542   0.949   3.415
    6    HB2  ALA   1           HB3      ALA   1  12.667   1.661   1.806
    7    HB3  ALA   1           HXT      ALA   1  13.648   0.257   2.228

  No H/Q in entry =           7
  In of MODEL    2
    1    H    MET   2           H        MET   2  15.166   4.480   2.994
    2    HB2  MET   2           HG2      MET   2  14.114   6.847   5.940
    3    HB3  MET   2           HG3      MET   2  14.050   5.106   6.172
    4    HE1  MET   2           HE2      MET   2  16.455   7.257   8.103
    5    HE2  MET   2           HE3      MET   2  14.963   6.353   8.363
    6    HE3  MET   2           HXT      MET   2  16.392   5.992   9.331
    7    HA   MET   2           HB1      MET   2  12.813   5.688   4.178
    8    HG2  MET   2           HD2      MET   2  16.329   5.282   4.779
    9    HG3  MET   2           HD3      MET   2  16.341   6.859   5.567

  No H/Q in entry =           9
  In of MODEL    2
    1    H    ASP   3           H        ASP   3  12.570   6.835   2.276
    2    HA   ASP   3           HB1      ASP   3  13.890   9.302   2.080
    3    HB2  ASP   3           HG2      ASP   3  15.103   8.982  -0.052
    4    HB3  ASP   3           HG3      ASP   3  15.785   8.014   1.251

  No H/Q in entry =           4
  In of MODEL    2
    1    H    CYS   4           H        CYS   4  12.173   6.768   0.319
    2    HA   CYS   4           HB1      CYS   4  10.044   8.550  -0.346
    3    HB2  CYS   4           HG2      CYS   4  12.125   7.929  -2.365
    4    HB3  CYS   4           HG3      CYS   4  10.453   7.842  -2.908

  No H/Q in entry =           4
  In of MODEL    2
    1    H    THR   5           H        THR   5  11.636   5.485  -1.080
    2    HG1  THR   5          HG21      THR   5   9.836   4.850   1.631
    3   HG21  THR   5          HG22      THR   5   8.265   2.070  -0.741
    4   HG22  THR   5          HG23      THR   5   9.646   1.654   0.275
    5   HG23  THR   5           HXT      THR   5   8.132   2.179   1.014
    6    HA   THR   5           HB1      THR   5  10.854   3.357  -1.263
    7    HB   THR   5          HG12      THR   5   8.393   4.383   0.160

  No H/Q in entry =           7
  In of MODEL    2
    1    H    THR   6           H        THR   6   9.382   2.013  -2.453
    2    HG1  THR   6          HG21      THR   6   9.785   0.633  -4.527
    3   HG21  THR   6          HG22      THR   6   8.613   4.112  -6.234
    4   HG22  THR   6          HG23      THR   6  10.141   4.006  -5.359
    5   HG23  THR   6           HXT      THR   6   9.948   3.173  -6.902
    6    HA   THR   6           HB1      THR   6   7.551   3.484  -4.223
    7    HB   THR   6          HG12      THR   6   8.352   1.666  -5.961

  No H/Q in entry =           7
  In of MODEL    2
    1    H    GLY   7           H        GLY   7   6.148   1.854  -5.499
    2    HA2  GLY   7           HA3      GLY   7   5.059  -0.016  -3.521
    3    HA3  GLY   7           HXT      GLY   7   5.490  -0.648  -5.104

  No H/Q in entry =           3
  In of MODEL    2
    1    HB2  PRO   8           HG2      PRO   8  -0.346  -1.044  -5.015
    2    HB3  PRO   8           HG3      PRO   8   0.731  -1.784  -6.205
    3    HG2  PRO   8           HD2      PRO   8   1.013  -1.636  -3.228
    4    HD2  PRO   8           HD3      PRO   8   3.307  -1.454  -3.334
    5    HG3  PRO   8           HD3      PRO   8   1.312  -3.006  -4.313
    6    HD3  PRO   8           HXT      PRO   8   3.391  -2.227  -4.929
    7    HA   PRO   8           HB1      PRO   8   1.428   0.391  -6.476

  No H/Q in entry =           7
  In of MODEL    2
    1    H    CYS   9           H        CYS   9   1.824   0.684  -3.004
    2    HA   CYS   9           HB1      CYS   9  -0.509   2.271  -2.571
    3    HB2  CYS   9           HG2      CYS   9   0.734   0.905  -0.825
    4    HB3  CYS   9           HG3      CYS   9   1.946   2.182  -0.817

  No H/Q in entry =           4
  In of MODEL    2
    1    H    CYS  10           H        CYS  10   2.951   3.012  -2.895
    2    HA   CYS  10           HB1      CYS  10   2.278   5.863  -3.094
    3    HB2  CYS  10           HG2      CYS  10   4.733   6.221  -2.799
    4    HB3  CYS  10           HG3      CYS  10   3.968   5.407  -1.439

  No H/Q in entry =           4
  In of MODEL    2
    1    H    ARG  11           H        ARG  11   2.588   7.000  -4.927
    2    HB2  ARG  11           HG2      ARG  11   1.721   7.879  -7.134
    3    HB3  ARG  11           HG3      ARG  11   3.272   8.604  -6.741
    4    HG2  ARG  11           HD2      ARG  11   3.286   9.145  -8.916
    5    HD2  ARG  11           HD3      ARG  11   1.499   6.774  -9.439
    6    HG3  ARG  11           HD3      ARG  11   3.849   7.486  -9.129
    7    HE   ARG  11          HH12      ARG  11   2.947   8.255 -11.325
    8   HH11  ARG  11          HH21      ARG  11  -0.320   7.191 -10.713
    9   HH12  ARG  11          HH22      ARG  11  -0.754   7.152 -12.389
   10    HD3  ARG  11           HXT      ARG  11   1.003   8.463  -9.333
   11   HH21  ARG  11           HXT      ARG  11   2.377   8.205 -13.530
   12   HH22  ARG  11           H1       ARG  11   0.777   7.727 -13.988
   13    HA   ARG  11           HB1      ARG  11   2.786   5.691  -7.392

  No H/Q in entry =          13
  In of MODEL    2
    1    H    GLN  12           H        GLN  12   5.126   8.150  -6.319
    2    HB2  GLN  12           HG2      GLN  12   6.506   8.278  -8.842
    3    HB3  GLN  12           HG3      GLN  12   7.530   9.272  -7.814
    4   HE21  GLN  12          HE22      GLN  12   9.011   5.545  -7.886
    5   HE22  GLN  12           HXT      GLN  12   8.565   4.483  -9.173
    6    HA   GLN  12           HB1      GLN  12   7.300   6.373  -7.171
    7    HG2  GLN  12           HD2      GLN  12   8.788   8.503  -9.709
    8    HG3  GLN  12           HD3      GLN  12   9.407   7.745  -8.243

  No H/Q in entry =           8
  In of MODEL    2
    1    H    CYS  13           H        CYS  13   6.052   7.933  -4.648
    2    HA   CYS  13           HB1      CYS  13   8.365   7.834  -3.084
    3    HB2  CYS  13           HG2      CYS  13   9.077   9.791  -4.379
    4    HB3  CYS  13           HG3      CYS  13   7.595  10.632  -3.939

  No H/Q in entry =           4
  In of MODEL    2
    1    H    LYS  14           H        LYS  14   5.397   9.759  -3.487
    2    HB2  LYS  14           HG2      LYS  14   3.600  10.987  -3.010
    3    HB3  LYS  14           HG3      LYS  14   2.649  10.784  -1.546
    4    HG2  LYS  14           HG3      LYS  14   4.731  11.878  -0.401
    5    HG3  LYS  14           HD2      LYS  14   5.048  12.479  -2.030
    6    HD2  LYS  14           HD3      LYS  14   3.759  14.178  -1.144
    7    HE2  LYS  14           HE3      LYS  14   1.827  12.228   0.079
    8    HE3  LYS  14           HZ1      LYS  14   3.236  12.835   0.947
    9    HZ1  LYS  14           HZ2      LYS  14   2.183  15.114   0.092
   10    HZ2  LYS  14           HZ3      LYS  14   0.769  14.196   0.234
   11    HD3  LYS  14           HXT      LYS  14   2.542  13.191  -1.956
   12    HZ3  LYS  14           HXT      LYS  14   1.776  14.410   1.576
   13    HA   LYS  14           HB1      LYS  14   4.874   9.687  -0.641

  No H/Q in entry =          13
  In of MODEL    2
    1    H    LEU  15           H        LEU  15   3.424   8.428   0.402
    2   HD11  LEU  15          HD12      LEU  15   2.893   4.851   3.229
    3   HD12  LEU  15          HD13      LEU  15   3.363   6.218   4.239
    4   HD13  LEU  15          HD21      LEU  15   1.695   6.060   3.688
    5   HD21  LEU  15          HD22      LEU  15   4.881   7.019   1.092
    6   HD22  LEU  15          HD23      LEU  15   4.742   7.975   2.568
    7   HD23  LEU  15           HXT      LEU  15   5.097   6.251   2.665
    8    HG   LEU  15           HXT      LEU  15   2.532   7.645   2.235
    9    HA   LEU  15           HB1      LEU  15   2.196   6.272  -1.153
   10    HB2  LEU  15           HG2      LEU  15   1.805   5.302   1.183
   11    HB3  LEU  15           HG3      LEU  15   3.451   5.351   0.580

  No H/Q in entry =          11
  In of MODEL    2
    1    H    LYS  16           H        LYS  16   0.011   5.679  -0.855
    2    HB2  LYS  16           HG2      LYS  16  -2.007   4.843  -0.819
    3    HB3  LYS  16           HG3      LYS  16  -3.438   5.727  -0.307
    4    HG2  LYS  16           HG3      LYS  16  -3.757   6.681  -2.363
    5    HG3  LYS  16           HD2      LYS  16  -2.050   6.572  -2.799
    6    HD2  LYS  16           HD3      LYS  16  -2.678   3.950  -2.557
    7    HE2  LYS  16           HE3      LYS  16  -1.807   5.541  -4.536
    8    HE3  LYS  16           HZ1      LYS  16  -2.238   3.847  -4.767
    9    HZ1  LYS  16           HZ2      LYS  16  -4.478   4.583  -5.410
   10    HZ2  LYS  16           HZ3      LYS  16  -3.984   6.195  -5.278
   11    HD3  LYS  16           HXT      LYS  16  -4.219   4.605  -3.114
   12    HZ3  LYS  16           HXT      LYS  16  -3.284   5.188  -6.444
   13    HA   LYS  16           HB1      LYS  16  -1.806   7.806  -0.761

  No H/Q in entry =          13
  In of MODEL    2
    1    HB2  PRO  17           HG2      PRO  17  -5.562   8.441   3.475
    2    HB3  PRO  17           HG3      PRO  17  -4.599   9.802   2.891
    3    HG2  PRO  17           HD2      PRO  17  -5.931   7.618   1.341
    4    HD2  PRO  17           HD3      PRO  17  -4.257   7.547  -0.251
    5    HG3  PRO  17           HD3      PRO  17  -5.833   9.351   0.979
    6    HD3  PRO  17           HXT      PRO  17  -3.686   9.183   0.137
    7    HA   PRO  17           HB1      PRO  17  -2.822   8.482   3.465

  No H/Q in entry =           7
  In of MODEL    2
    1    H    ALA  18           H        ALA  18  -3.209   7.406   5.355
    2    HA   ALA  18           HB1      ALA  18  -3.242   4.611   5.355
    3    HB1  ALA  18           HB2      ALA  18  -2.674   6.488   7.206
    4    HB2  ALA  18           HB3      ALA  18  -4.238   5.925   7.795
    5    HB3  ALA  18           HXT      ALA  18  -2.913   4.781   7.578

  No H/Q in entry =           5
  In of MODEL    2
    1    H    GLY  19           H        GLY  19  -4.852   3.295   4.831
    2    HA2  GLY  19           HA3      GLY  19  -7.593   4.063   5.622
    3    HA3  GLY  19           HXT      GLY  19  -7.013   2.406   5.574

  No H/Q in entry =           3
  In of MODEL    2
    1    H    THR  20           H        THR  20  -5.563   3.279   2.972
    2    HG1  THR  20          HG21      THR  20  -6.952   5.687   1.549
    3   HG21  THR  20          HG22      THR  20  -8.022   4.500  -0.568
    4   HG22  THR  20          HG23      THR  20  -6.717   5.583  -1.051
    5   HG23  THR  20           HXT      THR  20  -6.689   3.892  -1.550
    6    HA   THR  20           HB1      THR  20  -7.928   3.182   1.221
    7    HB   THR  20          HG12      THR  20  -5.207   3.900   0.206

  No H/Q in entry =           7
  In of MODEL    2
    1    H    THR  21           H        THR  21  -7.372   2.105  -0.967
    2    HG1  THR  21          HG21      THR  21  -8.979   1.031  -1.485
    3   HG21  THR  21          HG22      THR  21  -8.327  -1.446  -0.425
    4   HG22  THR  21          HG23      THR  21  -9.459  -1.301  -1.770
    5   HG23  THR  21           HXT      THR  21  -8.045  -2.345  -1.916
    6    HA   THR  21           HB1      THR  21  -6.359  -0.553  -0.344
    7    HB   THR  21          HG12      THR  21  -7.194  -0.571  -2.995

  No H/Q in entry =           7
  In of MODEL    2
    1    H    CYS  22           H        CYS  22  -4.969  -1.676  -1.916
    2    HA   CYS  22           HB1      CYS  22  -3.258   0.069  -3.517
    3    HB2  CYS  22           HG2      CYS  22  -1.241  -1.178  -2.544
    4    HB3  CYS  22           HG3      CYS  22  -1.987   0.055  -1.533

  No H/Q in entry =           4
  In of MODEL    2
    1    H    TRP  23           H        TRP  23  -3.913  -3.265  -2.478
    2    HE1  TRP  23           HE3      TRP  23  -1.461  -7.666  -7.418
    3    HE3  TRP  23           HZ2      TRP  23  -2.059  -8.181  -2.130
    4    HZ2  TRP  23           HZ3      TRP  23  -0.710 -10.219  -6.476
    5    HZ3  TRP  23           HH2      TRP  23  -1.235 -10.496  -2.251
    6    HH2  TRP  23           HXT      TRP  23  -0.576 -11.493  -4.380
    7    HA   TRP  23           HB1      TRP  23  -3.227  -4.160  -5.199
    8    HB2  TRP  23           HG2      TRP  23  -1.921  -5.032  -3.123
    9    HB3  TRP  23           HG3      TRP  23  -3.359  -6.006  -2.833
   10    HD1  TRP  23           HD2      TRP  23  -2.370  -5.462  -6.449

  No H/Q in entry =          10
  In of MODEL    2
    1    H    LYS  24           H        LYS  24  -4.993  -4.468  -6.378
    2    HB2  LYS  24           HG2      LYS  24  -6.994  -3.684  -7.378
    3    HB3  LYS  24           HG3      LYS  24  -8.447  -4.672  -7.319
    4    HG2  LYS  24           HG3      LYS  24  -8.497  -3.668  -4.836
    5    HG3  LYS  24           HD2      LYS  24  -7.656  -2.360  -5.670
    6    HD2  LYS  24           HD3      LYS  24 -10.029  -3.434  -7.047
    7    HE2  LYS  24           HE3      LYS  24  -8.597  -0.886  -6.696
    8    HE3  LYS  24           HZ1      LYS  24  -9.386  -1.558  -8.123
    9    HZ1  LYS  24           HZ2      LYS  24 -11.525  -1.043  -6.742
   10    HZ2  LYS  24           HZ3      LYS  24 -10.520   0.077  -5.970
   11    HD3  LYS  24           HXT      LYS  24 -10.345  -2.585  -5.533
   12    HZ3  LYS  24           HXT      LYS  24 -10.767   0.174  -7.640
   13    HA   LYS  24           HB1      LYS  24  -7.401  -5.535  -5.063

  No H/Q in entry =          13
  In of MODEL    2
    1    H    THR  25           H        THR  25  -6.474  -7.687  -5.228
    2    HG1  THR  25          HG21      THR  25  -4.026  -9.867  -5.011
    3   HG21  THR  25          HG22      THR  25  -5.133 -10.707  -8.083
    4   HG22  THR  25          HG23      THR  25  -3.896 -10.989  -6.859
    5   HG23  THR  25           HXT      THR  25  -5.375 -11.948  -6.854
    6    HA   THR  25           HB1      THR  25  -6.126  -8.802  -7.881
    7    HB   THR  25          HG12      THR  25  -6.199 -10.486  -5.413

  No H/Q in entry =           7
  In of MODEL    2
    1    H    SER  26           H        SER  26  -7.187 -11.040  -8.227
    2    HG   SER  26           HXT      SER  26 -11.082 -11.187  -9.803
    3    HA   SER  26           HB1      SER  26 -10.060 -10.647  -7.930
    4    HB2  SER  26           HG2      SER  26  -8.744 -11.318 -10.117
    5    HB3  SER  26           HG3      SER  26  -8.885 -12.943  -9.448

  No H/Q in entry =           5
  In of MODEL    2
    1    H    VAL  27           H        VAL  27  -9.033 -11.229  -5.520
    2    HB   VAL  27          HG12      VAL  27  -8.686 -14.761  -5.795
    3   HG11  VAL  27          HG12      VAL  27  -6.921 -13.018  -5.446
    4   HG12  VAL  27          HG13      VAL  27  -6.802 -13.564  -3.774
    5   HG13  VAL  27          HG21      VAL  27  -6.412 -14.668  -5.092
    6   HG21  VAL  27          HG22      VAL  27  -9.805 -15.303  -3.445
    7   HG22  VAL  27          HG23      VAL  27  -8.583 -16.349  -4.169
    8   HG23  VAL  27           HXT      VAL  27  -8.127 -15.197  -2.915
    9    HA   VAL  27           HB1      VAL  27 -10.474 -13.482  -4.700

  No H/Q in entry =           9
  In of MODEL    2
    1    H    SER  28           H        SER  28  -7.717 -11.391  -4.047
    2    HG   SER  28           HXT      SER  28  -6.218 -11.750   0.653
    3    HA   SER  28           HB1      SER  28  -8.813 -10.779  -1.429
    4    HB2  SER  28           HG2      SER  28  -7.124 -12.770  -1.306
    5    HB3  SER  28           HG3      SER  28  -5.904 -11.516  -1.528

  No H/Q in entry =           5
  In of MODEL    2
    1    H    SER  29           H        SER  29  -8.209  -8.771  -0.651
    2    HG   SER  29           HXT      SER  29  -9.365  -6.261  -3.639
    3    HA   SER  29           HB1      SER  29  -6.388  -7.197  -2.342
    4    HB2  SER  29           HG2      SER  29  -8.879  -6.002  -1.143
    5    HB3  SER  29           HG3      SER  29  -7.869  -5.368  -2.443

  No H/Q in entry =           5
  In of MODEL    2
    1    H    HIS  30           H        HIS  30  -5.146  -5.659  -1.300
    2    HD1  HIS  30           HD2      HIS  30  -0.886  -6.755   1.321
    3    HD2  HIS  30           HE1      HIS  30  -4.417  -8.004  -0.481
    4    HE1  HIS  30           HE2      HIS  30  -0.584  -9.213   0.881
    5    HE2  HIS  30           HXT      HIS  30  -2.699  -9.928  -0.287
    6    HA   HIS  30           HB1      HIS  30  -5.100  -5.891   1.626
    7    HB2  HIS  30           HG2      HIS  30  -2.962  -4.932  -0.289
    8    HB3  HIS  30           HG3      HIS  30  -2.785  -5.033   1.460

  No H/Q in entry =           8
  In of MODEL    2
    1    H    TYR  31           H        TYR  31  -3.920  -3.736   2.528
    2    HD1  TYR  31           HD2      TYR  31  -7.202  -4.114   3.221
    3    HD2  TYR  31           HE1      TYR  31  -7.730   0.005   2.294
    4    HE1  TYR  31           HE2      TYR  31  -9.458  -4.600   2.375
    5    HE2  TYR  31           HH       TYR  31  -9.988  -0.470   1.445
    6    HH   TYR  31           HXT      TYR  31 -11.078  -3.034   0.447
    7    HA   TYR  31           HB1      TYR  31  -5.168  -1.365   1.368
    8    HB2  TYR  31           HG2      TYR  31  -5.709  -2.422   4.136
    9    HB3  TYR  31           HG3      TYR  31  -5.919  -0.721   3.737

  No H/Q in entry =           9
  In of MODEL    2
    1    H    CYS  32           H        CYS  32  -4.413   0.652   2.475
    2    HA   CYS  32           HB1      CYS  32  -1.582   0.349   3.182
    3    HB2  CYS  32           HG2      CYS  32  -3.154   2.707   2.135
    4    HB3  CYS  32           HG3      CYS  32  -1.479   2.816   2.664

  No H/Q in entry =           4
  In of MODEL    2
    1    H    THR  33           H        THR  33  -0.853   0.831   5.157
    2    HG1  THR  33          HG21      THR  33  -0.510   1.946   9.197
    3   HG21  THR  33          HG22      THR  33   0.697   1.116   6.647
    4   HG22  THR  33          HG23      THR  33   0.996   0.503   8.274
    5   HG23  THR  33           HXT      THR  33   0.434  -0.590   7.009
    6    HA   THR  33           HB1      THR  33  -2.774   1.825   7.122
    7    HB   THR  33          HG12      THR  33  -1.622  -0.209   7.730

  No H/Q in entry =           7
  In of MODEL    2
    1    H    GLY  34           H        GLY  34  -1.179   3.462   5.062
    2    HA2  GLY  34           HA3      GLY  34  -0.934   5.815   6.490
    3    HA3  GLY  34           HXT      GLY  34  -0.104   5.490   4.976

  No H/Q in entry =           3
  In of MODEL    2
    1    H    ARG  35           H        ARG  35   1.355   3.203   6.227
    2    HB2  ARG  35           HG2      ARG  35   2.541   1.801   7.824
    3    HB3  ARG  35           HG3      ARG  35   4.014   2.383   8.588
    4    HG2  ARG  35           HD2      ARG  35   1.332   3.463   9.368
    5    HD2  ARG  35           HD3      ARG  35   3.914   3.127  10.888
    6    HG3  ARG  35           HD3      ARG  35   1.960   1.964  10.058
    7    HE   ARG  35          HH12      ARG  35   1.957   4.978  11.866
    8   HH11  ARG  35          HH21      ARG  35   2.996   1.648  11.926
    9   HH12  ARG  35          HH22      ARG  35   2.267   1.317  13.461
   10    HD3  ARG  35           HXT      ARG  35   3.386   4.621  10.116
   11   HH21  ARG  35           HXT      ARG  35   0.997   4.546  13.885
   12   HH22  ARG  35           H1       ARG  35   1.132   2.962  14.574
   13    HA   ARG  35           HB1      ARG  35   3.205   4.734   7.932

  No H/Q in entry =          13
  In of MODEL    2
    1    H    SER  36           H        SER  36   2.931   2.649   5.129
    2    HG   SER  36           HXT      SER  36   7.336   3.187   4.656
    3    HA   SER  36           HB1      SER  36   5.266   3.707   3.932
    4    HB2  SER  36           HG2      SER  36   5.519   1.153   5.441
    5    HB3  SER  36           HG3      SER  36   6.323   1.252   3.875

  No H/Q in entry =           5
  In of MODEL    2
    1    H    CYS  37           H        CYS  37   5.883   2.327   1.935
    2    HA   CYS  37           HB1      CYS  37   3.500   1.955   0.416
    3    HB2  CYS  37           HG2      CYS  37   6.325   1.196  -0.349
    4    HB3  CYS  37           HG3      CYS  37   4.971   1.463  -1.442

  No H/Q in entry =           4
  In of MODEL    2
    1    H    GLU  38           H        GLU  38   5.717  -0.167   2.077
    2    HB2  GLU  38           HG2      GLU  38   5.936  -2.030   3.684
    3    HB3  GLU  38           HG3      GLU  38   5.849  -3.637   2.975
    4    HA   GLU  38           HB1      GLU  38   5.049  -2.595   0.850
    5    HG2  GLU  38           HD2      GLU  38   7.612  -3.221   1.512
    6    HG3  GLU  38           HD3      GLU  38   7.481  -1.473   1.706

  No H/Q in entry =           6
  In of MODEL    2
    1    H    CYS  39           H        CYS  39   2.798  -2.590   0.505
    2    HA   CYS  39           HB1      CYS  39   0.900  -2.312   2.587
    3    HB2  CYS  39           HG2      CYS  39   0.881  -2.854  -0.252
    4    HB3  CYS  39           HG3      CYS  39  -0.269  -3.893   0.583

  No H/Q in entry =           4
  In of MODEL    2
    1    HB2  PRO  40           HG2      PRO  40   0.037  -6.117   6.452
    2    HB3  PRO  40           HG3      PRO  40   1.663  -5.424   6.455
    3    HG2  PRO  40           HD2      PRO  40  -0.957  -4.107   5.862
    4    HD2  PRO  40           HD3      PRO  40  -0.036  -2.703   4.279
    5    HG3  PRO  40           HD3      PRO  40   0.410  -3.502   6.816
    6    HD3  PRO  40           HXT      PRO  40   1.603  -2.875   4.940
    7    HA   PRO  40           HB1      PRO  40   1.787  -6.369   4.372

  No H/Q in entry =           7
  In of MODEL    2
    1    H    SER  41           H        SER  41   0.286  -8.168   5.208
    2    HG   SER  41           HXT      SER  41  -2.620 -10.937   3.292
    3    HA   SER  41           HB1      SER  41  -2.034  -8.343   3.403
    4    HB2  SER  41           HG2      SER  41   0.034  -9.937   3.174
    5    HB3  SER  41           HG3      SER  41  -0.689 -10.766   4.552

  No H/Q in entry =           5
  In of MODEL    2
    1    H    TYR  42           H        TYR  42  -3.075  -7.167   5.274
    2    HD1  TYR  42           HD2      TYR  42  -2.335  -5.578   6.149
    3    HD2  TYR  42           HE1      TYR  42  -5.749  -5.353   8.678
    4    HE1  TYR  42           HE2      TYR  42  -2.741  -3.276   5.387
    5    HE2  TYR  42           HH       TYR  42  -6.164  -3.050   7.922
    6    HH   TYR  42           HXT      TYR  42  -5.646  -1.612   6.025
    7    HA   TYR  42           HB1      TYR  42  -3.947  -9.091   7.328
    8    HB2  TYR  42           HG2      TYR  42  -4.377  -7.219   8.806
    9    HB3  TYR  42           HG3      TYR  42  -2.722  -7.123   8.216

  No H/Q in entry =           9
  In of MODEL    2
    1    HB2  PRO  43           HG2      PRO  43  -8.302 -10.529   4.010
    2    HB3  PRO  43           HG3      PRO  43  -7.178  -9.622   2.992
    3    HG2  PRO  43           HD2      PRO  43  -6.596 -11.626   5.139
    4    HD2  PRO  43           HD3      PRO  43  -4.661 -10.541   5.789
    5    HG3  PRO  43           HD3      PRO  43  -5.843 -11.444   3.543
    6    HD3  PRO  43           HXT      PRO  43  -4.501  -9.693   4.237
    7    HA   PRO  43           HB1      PRO  43  -7.559  -7.947   4.508

  No H/Q in entry =           7
  In of MODEL    2
    1    H    GLY  44           H        GLY  44  -8.932  -7.209   6.051
    2    HA2  GLY  44           HA3      GLY  44 -10.328  -7.228   7.901
    3    HA3  GLY  44           HXT      GLY  44  -9.742  -8.840   8.283

  No H/Q in entry =           3
  In of MODEL    3
    1    H1   ALA   1           H1       ALA   1  14.374  13.513   4.301
    2    H2   ALA   1           H2       ALA   1  12.865  13.899   3.580
    3    H3   ALA   1           H3       ALA   1  12.973  12.605   4.699
    4    HA   ALA   1           HB1      ALA   1  12.857  11.649   2.616
    5    HB1  ALA   1           HB2      ALA   1  14.679  13.876   1.884
    6    HB2  ALA   1           HB3      ALA   1  13.285  13.222   1.025
    7    HB3  ALA   1           HXT      ALA   1  14.823  12.361   0.994

  No H/Q in entry =           7
  In of MODEL    3
    1    H    MET   2           H        MET   2  14.069   9.821   2.030
    2    HB2  MET   2           HG2      MET   2  15.073   9.188   4.957
    3    HB3  MET   2           HG3      MET   2  14.973   7.551   4.323
    4    HE1  MET   2           HE2      MET   2  18.102   8.842   7.622
    5    HE2  MET   2           HE3      MET   2  18.061   7.337   8.540
    6    HE3  MET   2           HXT      MET   2  18.964   7.422   7.027
    7    HA   MET   2           HB1      MET   2  16.759   9.425   2.876
    8    HG2  MET   2           HD2      MET   2  17.460   7.438   4.428
    9    HG3  MET   2           HD3      MET   2  17.440   8.998   5.248

  No H/Q in entry =           9
  In of MODEL    3
    1    H    ASP   3           H        ASP   3  13.806   7.450   2.518
    2    HA   ASP   3           HB1      ASP   3  14.963   6.201   0.148
    3    HB2  ASP   3           HG2      ASP   3  14.352   3.928   1.024
    4    HB3  ASP   3           HG3      ASP   3  15.693   4.695   1.870

  No H/Q in entry =           4
  In of MODEL    3
    1    H    CYS   4           H        CYS   4  13.393   4.973  -1.101
    2    HA   CYS   4           HB1      CYS   4  10.598   5.641  -0.481
    3    HB2  CYS   4           HG2      CYS   4  11.720   5.781  -3.277
    4    HB3  CYS   4           HG3      CYS   4  10.158   6.357  -2.705

  No H/Q in entry =           4
  In of MODEL    3
    1    H    THR   5           H        THR   5   9.673   3.728  -0.125
    2    HG1  THR   5          HG21      THR   5   8.744   2.507   1.547
    3   HG21  THR   5          HG22      THR   5   9.793  -0.617  -0.674
    4   HG22  THR   5          HG23      THR   5  10.290  -0.270   0.982
    5   HG23  THR   5           HXT      THR   5   8.633  -0.773   0.645
    6    HA   THR   5           HB1      THR   5  10.564   1.330  -1.442
    7    HB   THR   5          HG12      THR   5   7.997   1.276   0.018

  No H/Q in entry =           7
  In of MODEL    3
    1    H    THR   6           H        THR   6  10.167   1.819  -3.644
    2    HG1  THR   6          HG21      THR   6  10.853   0.942  -5.275
    3   HG21  THR   6          HG22      THR   6   9.225   3.840  -6.184
    4   HG22  THR   6          HG23      THR   6  10.713   3.150  -5.536
    5   HG23  THR   6           HXT      THR   6  10.344   2.994  -7.254
    6    HA   THR   6           HB1      THR   6   7.742   2.652  -4.731
    7    HB   THR   6          HG12      THR   6   8.560   1.511  -6.833

  No H/Q in entry =           7
  In of MODEL    3
    1    H    GLY   7           H        GLY   7   5.837   1.724  -4.348
    2    HA2  GLY   7           HA3      GLY   7   5.170  -0.707  -3.420
    3    HA3  GLY   7           HXT      GLY   7   5.449  -1.044  -5.122

  No H/Q in entry =           3
  In of MODEL    3
    1    HB2  PRO   8           HG2      PRO   8  -0.369  -1.572  -4.471
    2    HB3  PRO   8           HG3      PRO   8   0.714  -2.064  -5.779
    3    HG2  PRO   8           HD2      PRO   8   1.040  -2.392  -2.825
    4    HD2  PRO   8           HD3      PRO   8   3.274  -1.931  -2.867
    5    HG3  PRO   8           HD3      PRO   8   1.411  -3.537  -4.126
    6    HD3  PRO   8           HXT      PRO   8   3.474  -2.628  -4.487
    7    HA   PRO   8           HB1      PRO   8   1.229   0.194  -5.684

  No H/Q in entry =           7
  In of MODEL    3
    1    H    CYS   9           H        CYS   9   2.293   1.800  -3.668
    2    HA   CYS   9           HB1      CYS   9   0.026   2.971  -2.555
    3    HB2  CYS   9           HG2      CYS   9   0.595   0.701  -1.142
    4    HB3  CYS   9           HG3      CYS   9   1.482   1.913  -0.224

  No H/Q in entry =           4
  In of MODEL    3
    1    H    CYS  10           H        CYS  10   2.431   3.721  -3.880
    2    HA   CYS  10           HB1      CYS  10   3.206   5.921  -2.221
    3    HB2  CYS  10           HG2      CYS  10   4.981   3.560  -2.493
    4    HB3  CYS  10           HG3      CYS  10   5.743   5.136  -2.678

  No H/Q in entry =           4
  In of MODEL    3
    1    H    ARG  11           H        ARG  11   3.266   7.565  -3.586
    2    HB2  ARG  11           HG2      ARG  11   2.764   8.705  -7.180
    3    HB3  ARG  11           HG3      ARG  11   1.946   7.363  -6.391
    4    HG2  ARG  11           HD2      ARG  11   1.816   8.900  -4.344
    5    HD2  ARG  11           HD3      ARG  11   0.241   9.931  -6.671
    6    HG3  ARG  11           HD3      ARG  11   2.215  10.199  -5.470
    7    HE   ARG  11          HH12      ARG  11  -0.109  10.149  -3.937
    8   HH11  ARG  11          HH21      ARG  11  -1.968   9.043  -6.676
    9   HH12  ARG  11          HH22      ARG  11  -3.493   9.455  -5.966
   10    HD3  ARG  11           HXT      ARG  11  -0.017   8.295  -6.068
   11   HH21  ARG  11           HXT      ARG  11  -2.114  10.692  -3.002
   12   HH22  ARG  11           H1       ARG  11  -3.576  10.391  -3.880
   13    HA   ARG  11           HB1      ARG  11   4.392   7.132  -6.274

  No H/Q in entry =          13
  In of MODEL    3
    1    H    GLN  12           H        GLN  12   6.006   8.462  -6.819
    2    HB2  GLN  12           HG2      GLN  12   4.988  11.435  -5.899
    3    HB3  GLN  12           HG3      GLN  12   6.457  12.317  -5.515
    4   HE21  GLN  12          HE22      GLN  12   4.588  13.633  -6.234
    5   HE22  GLN  12           HXT      GLN  12   5.048  15.186  -6.834
    6    HA   GLN  12           HB1      GLN  12   7.513  10.171  -6.763
    7    HG2  GLN  12           HD2      GLN  12   6.995  11.809  -8.052
    8    HG3  GLN  12           HD3      GLN  12   5.238  11.711  -8.149

  No H/Q in entry =           8
  In of MODEL    3
    1    H    CYS  13           H        CYS  13   6.894   8.350  -4.349
    2    HA   CYS  13           HB1      CYS  13   8.049   7.878  -2.433
    3    HB2  CYS  13           HG2      CYS  13   9.890   9.318  -3.525
    4    HB3  CYS  13           HG3      CYS  13   9.310  10.612  -2.481

  No H/Q in entry =           4
  In of MODEL    3
    1    H    LYS  14           H        LYS  14   5.610   8.328  -1.995
    2    HB2  LYS  14           HG2      LYS  14   4.096  10.673  -2.053
    3    HB3  LYS  14           HG3      LYS  14   3.207  10.817  -0.542
    4    HG2  LYS  14           HG3      LYS  14   4.825  12.325   0.351
    5    HG3  LYS  14           HD2      LYS  14   5.910  12.050  -1.014
    6    HD2  LYS  14           HD3      LYS  14   4.815  14.143  -1.368
    7    HE2  LYS  14           HE3      LYS  14   2.756  13.172   0.089
    8    HE3  LYS  14           HZ1      LYS  14   2.664  14.614  -0.920
    9    HZ1  LYS  14           HZ2      LYS  14   1.802  13.249  -2.722
   10    HZ2  LYS  14           HZ3      LYS  14   1.884  11.870  -1.746
   11    HD3  LYS  14           HXT      LYS  14   4.130  12.982  -2.507
   12    HZ3  LYS  14           HXT      LYS  14   0.819  13.123  -1.350
   13    HA   LYS  14           HB1      LYS  14   5.519   9.894   0.440

  No H/Q in entry =          13
  In of MODEL    3
    1    H    LEU  15           H        LEU  15   4.795   8.413   1.817
    2   HD11  LEU  15          HD12      LEU  15   4.484   5.971   5.431
    3   HD12  LEU  15          HD13      LEU  15   3.094   4.907   5.652
    4   HD13  LEU  15          HD21      LEU  15   4.658   4.232   5.193
    5   HD21  LEU  15          HD22      LEU  15   1.815   5.063   2.497
    6   HD22  LEU  15          HD23      LEU  15   2.510   3.524   3.005
    7   HD23  LEU  15           HXT      LEU  15   1.690   4.552   4.180
    8    HG   LEU  15           HXT      LEU  15   4.408   4.770   3.022
    9    HA   LEU  15           HB1      LEU  15   3.375   6.109   1.197
   10    HB2  LEU  15           HG2      LEU  15   4.510   7.178   3.459
   11    HB3  LEU  15           HG3      LEU  15   2.803   7.186   3.861

  No H/Q in entry =          11
  In of MODEL    3
    1    H    LYS  16           H        LYS  16   1.370   5.806   0.517
    2    HB2  LYS  16           HG2      LYS  16  -0.443   4.930  -0.150
    3    HB3  LYS  16           HG3      LYS  16  -2.044   5.549   0.232
    4    HG2  LYS  16           HG3      LYS  16  -2.148   6.836  -1.688
    5    HG3  LYS  16           HD2      LYS  16  -0.396   6.847  -1.896
    6    HD2  LYS  16           HD3      LYS  16  -0.386   4.876  -2.993
    7    HE2  LYS  16           HE3      LYS  16  -2.239   4.550  -4.412
    8    HE3  LYS  16           HZ1      LYS  16  -3.361   5.219  -3.228
    9    HZ1  LYS  16           HZ2      LYS  16  -1.237   6.990  -4.123
   10    HZ2  LYS  16           HZ3      LYS  16  -2.410   6.604  -5.278
   11    HD3  LYS  16           HXT      LYS  16  -1.653   4.188  -1.975
   12    HZ3  LYS  16           HXT      LYS  16  -2.868   7.322  -3.817
   13    HA   LYS  16           HB1      LYS  16  -0.530   7.838   0.242

  No H/Q in entry =          13
  In of MODEL    3
    1    HB2  PRO  17           HG2      PRO  17  -5.334   7.946   3.338
    2    HB3  PRO  17           HG3      PRO  17  -4.365   9.398   3.066
    3    HG2  PRO  17           HD2      PRO  17  -5.066   7.201   1.160
    4    HD2  PRO  17           HD3      PRO  17  -3.038   7.333   0.061
    5    HG3  PRO  17           HD3      PRO  17  -5.026   8.953   0.885
    6    HD3  PRO  17           HXT      PRO  17  -2.729   8.987   0.627
    7    HA   PRO  17           HB1      PRO  17  -2.701   8.175   4.052

  No H/Q in entry =           7
  In of MODEL    3
    1    H    ALA  18           H        ALA  18  -3.438   6.955   5.734
    2    HA   ALA  18           HB1      ALA  18  -3.278   4.163   5.587
    3    HB1  ALA  18           HB2      ALA  18  -3.175   5.861   7.615
    4    HB2  ALA  18           HB3      ALA  18  -4.869   5.396   7.771
    5    HB3  ALA  18           HXT      ALA  18  -3.606   4.166   7.843

  No H/Q in entry =           5
  In of MODEL    3
    1    H    GLY  19           H        GLY  19  -4.626   2.894   4.491
    2    HA2  GLY  19           HA3      GLY  19  -7.525   3.410   4.754
    3    HA3  GLY  19           HXT      GLY  19  -6.823   1.803   4.646

  No H/Q in entry =           3
  In of MODEL    3
    1    H    THR  20           H        THR  20  -4.912   2.837   2.545
    2    HG1  THR  20          HG21      THR  20  -3.829   5.125   1.246
    3   HG21  THR  20          HG22      THR  20  -5.897   4.073  -1.650
    4   HG22  THR  20          HG23      THR  20  -4.489   5.131  -1.561
    5   HG23  THR  20           HXT      THR  20  -4.286   3.426  -1.965
    6    HA   THR  20           HB1      THR  20  -6.759   3.268   0.316
    7    HB   THR  20          HG12      THR  20  -3.743   3.316   0.224

  No H/Q in entry =           7
  In of MODEL    3
    1    H    THR  21           H        THR  21  -7.222   1.726  -1.121
    2    HG1  THR  21          HG21      THR  21  -8.607   0.824  -3.615
    3   HG21  THR  21          HG22      THR  21  -8.556  -1.462  -0.833
    4   HG22  THR  21          HG23      THR  21  -9.675  -0.914  -2.081
    5   HG23  THR  21           HXT      THR  21  -8.619  -2.293  -2.387
    6    HA   THR  21           HB1      THR  21  -6.523  -0.952  -0.693
    7    HB   THR  21          HG12      THR  21  -7.272  -0.821  -3.365

  No H/Q in entry =           7
  In of MODEL    3
    1    H    CYS  22           H        CYS  22  -5.221  -2.383  -1.898
    2    HA   CYS  22           HB1      CYS  22  -3.240  -1.189  -3.687
    3    HB2  CYS  22           HG2      CYS  22  -1.485  -2.632  -2.454
    4    HB3  CYS  22           HG3      CYS  22  -1.974  -1.108  -1.723

  No H/Q in entry =           4
  In of MODEL    3
    1    H    TRP  23           H        TRP  23  -4.429  -4.189  -2.200
    2    HE1  TRP  23           HE3      TRP  23  -1.079  -9.215  -5.222
    3    HE3  TRP  23           HZ2      TRP  23  -4.825  -9.469  -1.417
    4    HZ2  TRP  23           HZ3      TRP  23  -1.480 -11.837  -4.256
    5    HZ3  TRP  23           HH2      TRP  23  -4.489 -11.899  -1.231
    6    HH2  TRP  23           HXT      TRP  23  -2.850 -13.057  -2.623
    7    HA   TRP  23           HB1      TRP  23  -3.621  -5.687  -4.576
    8    HB2  TRP  23           HG2      TRP  23  -3.531  -6.336  -1.916
    9    HB3  TRP  23           HG3      TRP  23  -5.011  -7.140  -2.429
   10    HD1  TRP  23           HD2      TRP  23  -2.014  -6.856  -4.794

  No H/Q in entry =          10
  In of MODEL    3
    1    H    LYS  24           H        LYS  24  -5.007  -6.179  -6.141
    2    HB2  LYS  24           HG2      LYS  24  -6.403  -4.781  -7.721
    3    HB3  LYS  24           HG3      LYS  24  -8.026  -5.376  -8.041
    4    HG2  LYS  24           HG3      LYS  24  -7.599  -3.750  -5.596
    5    HG3  LYS  24           HD2      LYS  24  -7.583  -2.931  -7.159
    6    HD2  LYS  24           HD3      LYS  24  -9.795  -3.271  -7.511
    7    HE2  LYS  24           HE3      LYS  24 -10.926  -3.734  -5.114
    8    HE3  LYS  24           HZ1      LYS  24  -9.309  -3.253  -4.600
    9    HZ1  LYS  24           HZ2      LYS  24 -10.943  -1.656  -6.488
   10    HZ2  LYS  24           HZ3      LYS  24 -10.968  -1.411  -4.815
   11    HD3  LYS  24           HXT      LYS  24  -9.787  -4.846  -6.713
   12    HZ3  LYS  24           HXT      LYS  24  -9.533  -1.182  -5.683
   13    HA   LYS  24           HB1      LYS  24  -7.887  -6.167  -5.528

  No H/Q in entry =          13
  In of MODEL    3
    1    H    THR  25           H        THR  25  -6.111  -8.417  -5.599
    2    HG1  THR  25          HG21      THR  25  -4.650 -10.576  -4.611
    3   HG21  THR  25          HG22      THR  25  -4.897 -11.483  -8.077
    4   HG22  THR  25          HG23      THR  25  -3.991 -11.998  -6.654
    5   HG23  THR  25           HXT      THR  25  -5.511 -12.791  -7.066
    6    HA   THR  25           HB1      THR  25  -6.172  -9.805  -8.038
    7    HB   THR  25          HG12      THR  25  -6.372 -11.394  -5.545

  No H/Q in entry =           7
  In of MODEL    3
    1    H    SER  26           H        SER  26  -7.364 -12.004  -8.196
    2    HG   SER  26           HXT      SER  26 -10.813 -12.272 -10.687
    3    HA   SER  26           HB1      SER  26 -10.208 -11.409  -7.971
    4    HB2  SER  26           HG2      SER  26  -8.835 -12.444 -10.030
    5    HB3  SER  26           HG3      SER  26  -9.275 -13.944  -9.215

  No H/Q in entry =           5
  In of MODEL    3
    1    H    VAL  27           H        VAL  27  -9.236 -11.814  -5.499
    2    HB   VAL  27          HG12      VAL  27  -7.780 -13.795  -3.767
    3   HG11  VAL  27          HG12      VAL  27  -9.737 -16.051  -3.357
    4   HG12  VAL  27          HG13      VAL  27  -8.042 -16.087  -2.870
    5   HG13  VAL  27          HG21      VAL  27  -9.147 -14.925  -2.135
    6   HG21  VAL  27          HG22      VAL  27  -8.868 -15.673  -5.856
    7   HG22  VAL  27          HG23      VAL  27  -7.652 -14.414  -6.069
    8   HG23  VAL  27           HXT      VAL  27  -7.279 -15.847  -5.111
    9    HA   VAL  27           HB1      VAL  27 -10.618 -14.229  -4.692

  No H/Q in entry =           9
  In of MODEL    3
    1    H    SER  28           H        SER  28  -8.652 -11.481  -3.641
    2    HG   SER  28           HXT      SER  28 -10.055 -11.407   1.277
    3    HA   SER  28           HB1      SER  28 -10.637 -10.426  -1.956
    4    HB2  SER  28           HG2      SER  28  -9.668 -12.585  -0.731
    5    HB3  SER  28           HG3      SER  28  -8.416 -11.441  -0.245

  No H/Q in entry =           5
  In of MODEL    3
    1    H    SER  29           H        SER  29 -10.226  -8.324  -1.940
    2    HG   SER  29           HXT      SER  29  -9.933  -5.572  -4.438
    3    HA   SER  29           HB1      SER  29  -7.574  -7.359  -2.590
    4    HB2  SER  29           HG2      SER  29 -10.190  -5.905  -2.133
    5    HB3  SER  29           HG3      SER  29  -8.687  -5.121  -2.616

  No H/Q in entry =           5
  In of MODEL    3
    1    H    HIS  30           H        HIS  30  -6.543  -5.636  -1.351
    2    HD1  HIS  30           HD2      HIS  30  -4.174  -7.615   3.221
    3    HD2  HIS  30           HE1      HIS  30  -6.303  -8.509  -0.234
    4    HE1  HIS  30           HE2      HIS  30  -4.588 -10.094   3.308
    5    HE2  HIS  30           HXT      HIS  30  -5.954 -10.597   1.252
    6    HA   HIS  30           HB1      HIS  30  -7.176  -5.740   1.522
    7    HB2  HIS  30           HG2      HIS  30  -4.474  -5.983   0.199
    8    HB3  HIS  30           HG3      HIS  30  -4.669  -5.590   1.904

  No H/Q in entry =           8
  In of MODEL    3
    1    H    TYR  31           H        TYR  31  -5.613  -3.968   2.622
    2    HD1  TYR  31           HD2      TYR  31  -8.370  -3.502   2.163
    3    HD2  TYR  31           HE1      TYR  31  -8.260   0.726   1.709
    4    HE1  TYR  31           HE2      TYR  31 -10.502  -3.584   0.941
    5    HE2  TYR  31           HH       TYR  31 -10.392   0.657   0.487
    6    HH   TYR  31           HXT      TYR  31 -11.635  -1.196  -0.942
    7    HA   TYR  31           HB1      TYR  31  -5.656  -1.522   1.011
    8    HB2  TYR  31           HG2      TYR  31  -6.985  -1.874   3.702
    9    HB3  TYR  31           HG3      TYR  31  -6.632  -0.301   2.994

  No H/Q in entry =           9
  In of MODEL    3
    1    H    CYS  32           H        CYS  32  -4.573   0.319   2.259
    2    HA   CYS  32           HB1      CYS  32  -2.116  -0.751   3.436
    3    HB2  CYS  32           HG2      CYS  32  -2.786   1.963   2.286
    4    HB3  CYS  32           HG3      CYS  32  -1.245   1.575   3.045

  No H/Q in entry =           4
  In of MODEL    3
    1    H    THR  33           H        THR  33  -1.197   0.206   5.330
    2    HG1  THR  33          HG21      THR  33  -1.780  -0.264   9.916
    3   HG21  THR  33          HG22      THR  33   0.217   0.384   7.349
    4   HG22  THR  33          HG23      THR  33   0.085  -0.542   8.844
    5   HG23  THR  33           HXT      THR  33  -0.255  -1.314   7.296
    6    HA   THR  33           HB1      THR  33  -3.237   1.330   7.133
    7    HB   THR  33          HG12      THR  33  -2.386  -0.876   7.806

  No H/Q in entry =           7
  In of MODEL    3
    1    H    GLY  34           H        GLY  34  -1.349   2.730   5.230
    2    HA2  GLY  34           HA3      GLY  34  -0.827   5.007   6.717
    3    HA3  GLY  34           HXT      GLY  34  -0.020   4.602   5.211

  No H/Q in entry =           3
  In of MODEL    3
    1    H    ARG  35           H        ARG  35   1.087   2.112   6.434
    2    HB2  ARG  35           HG2      ARG  35   1.589   1.096   8.697
    3    HB3  ARG  35           HG3      ARG  35   2.941   0.362   7.847
    4    HG2  ARG  35           HD2      ARG  35   3.348   0.236  10.199
    5    HD2  ARG  35           HD3      ARG  35   3.188   3.242  10.295
    6    HG3  ARG  35           HD3      ARG  35   4.477   1.395   9.494
    7    HE   ARG  35          HH12      ARG  35   4.305   2.746  12.231
    8   HH11  ARG  35          HH21      ARG  35   1.723   0.441  11.789
    9   HH12  ARG  35          HH22      ARG  35   1.910  -0.259  13.361
   10    HD3  ARG  35           HXT      ARG  35   1.878   2.176  10.803
   11   HH21  ARG  35           HXT      ARG  35   4.554   1.825  14.300
   12   HH22  ARG  35           H1       ARG  35   3.517   0.526  14.787
   13    HA   ARG  35           HB1      ARG  35   3.043   3.301   8.277

  No H/Q in entry =          13
  In of MODEL    3
    1    H    SER  36           H        SER  36   2.700   1.485   5.293
    2    HG   SER  36           HXT      SER  36   6.399  -1.045   3.630
    3    HA   SER  36           HB1      SER  36   5.294   2.377   4.411
    4    HB2  SER  36           HG2      SER  36   6.067   0.441   5.580
    5    HB3  SER  36           HG3      SER  36   4.759  -0.551   4.936

  No H/Q in entry =           5
  In of MODEL    3
    1    H    CYS  37           H        CYS  37   5.751   1.522   2.147
    2    HA   CYS  37           HB1      CYS  37   3.425   1.975   0.548
    3    HB2  CYS  37           HG2      CYS  37   6.082   0.980  -0.469
    4    HB3  CYS  37           HG3      CYS  37   4.884   1.949  -1.320

  No H/Q in entry =           4
  In of MODEL    3
    1    H    GLU  38           H        GLU  38   5.187  -0.830   1.621
    2    HB2  GLU  38           HG2      GLU  38   6.053  -2.888   1.685
    3    HB3  GLU  38           HG3      GLU  38   4.671  -3.458   2.610
    4    HA   GLU  38           HB1      GLU  38   4.310  -2.703  -0.265
    5    HG2  GLU  38           HD2      GLU  38   4.620  -5.439   1.563
    6    HG3  GLU  38           HD3      GLU  38   5.020  -4.739  -0.005

  No H/Q in entry =           6
  In of MODEL    3
    1    H    CYS  39           H        CYS  39   2.484  -3.875  -0.506
    2    HA   CYS  39           HB1      CYS  39   0.130  -2.998   0.892
    3    HB2  CYS  39           HG2      CYS  39   0.037  -3.497  -1.501
    4    HB3  CYS  39           HG3      CYS  39   0.501  -5.165  -1.186

  No H/Q in entry =           4
  In of MODEL    3
    1    HB2  PRO  40           HG2      PRO  40  -2.348  -5.390   4.439
    2    HB3  PRO  40           HG3      PRO  40  -1.124  -5.349   5.713
    3    HG2  PRO  40           HD2      PRO  40  -2.090  -3.090   4.694
    4    HD2  PRO  40           HD3      PRO  40  -1.695  -3.294   2.432
    5    HG3  PRO  40           HD3      PRO  40  -0.371  -3.240   5.105
    6    HD3  PRO  40           HXT      PRO  40  -0.117  -2.628   2.898
    7    HA   PRO  40           HB1      PRO  40   0.583  -5.917   4.275

  No H/Q in entry =           7
  In of MODEL    3
    1    H    SER  41           H        SER  41   0.081  -8.065   4.637
    2    HG   SER  41           HXT      SER  41  -0.113 -11.594   1.967
    3    HA   SER  41           HB1      SER  41  -1.304  -9.406   2.433
    4    HB2  SER  41           HG2      SER  41   1.045 -10.074   3.075
    5    HB3  SER  41           HG3      SER  41   0.384 -10.679   4.594

  No H/Q in entry =           5
  In of MODEL    3
    1    H    TYR  42           H        TYR  42  -2.754  -8.038   4.561
    2    HD1  TYR  42           HD2      TYR  42  -0.994  -9.129   7.162
    3    HD2  TYR  42           HE1      TYR  42  -4.496  -6.843   7.941
    4    HE1  TYR  42           HE2      TYR  42   0.407  -7.220   7.826
    5    HE2  TYR  42           HH       TYR  42  -3.104  -4.927   8.606
    6    HH   TYR  42           HXT      TYR  42  -0.264  -4.366   7.853
    7    HA   TYR  42           HB1      TYR  42  -4.461 -10.259   5.342
    8    HB2  TYR  42           HG2      TYR  42  -4.594  -9.282   7.704
    9    HB3  TYR  42           HG3      TYR  42  -3.147 -10.201   7.300

  No H/Q in entry =           9
  In of MODEL    3
    1    HB2  PRO  43           HG2      PRO  43  -9.688  -8.316   5.786
    2    HB3  PRO  43           HG3      PRO  43  -9.059  -9.075   4.318
    3    HG2  PRO  43           HD2      PRO  43  -8.546  -9.779   7.183
    4    HD2  PRO  43           HD3      PRO  43  -6.373 -10.415   6.761
    5    HG3  PRO  43           HD3      PRO  43  -8.873 -10.851   5.808
    6    HD3  PRO  43           HXT      PRO  43  -6.701 -10.748   5.049
    7    HA   PRO  43           HB1      PRO  43  -7.597  -7.300   4.393

  No H/Q in entry =           7
  In of MODEL    3
    1    H    GLY  44           H        GLY  44  -6.936  -5.385   5.347
    2    HA2  GLY  44           HA3      GLY  44  -6.462  -4.418   7.690
    3    HA3  GLY  44           HXT      GLY  44  -8.144  -4.839   7.975

  No H/Q in entry =           3
  In of MODEL    4
    1    H1   ALA   1           H1       ALA   1  16.206   8.550   6.322
    2    H2   ALA   1           H2       ALA   1  15.182   8.328   7.679
    3    H3   ALA   1           H3       ALA   1  16.884   8.194   7.858
    4    HA   ALA   1           HB1      ALA   1  16.988   6.236   6.705
    5    HB1  ALA   1           HB2      ALA   1  14.397   5.919   8.178
    6    HB2  ALA   1           HB3      ALA   1  15.902   6.253   9.033
    7    HB3  ALA   1           HXT      ALA   1  15.750   4.794   8.054

  No H/Q in entry =           7
  In of MODEL    4
    1    H    MET   2           H        MET   2  13.773   7.681   6.365
    2    HB2  MET   2           HG2      MET   2  11.621   8.132   5.552
    3    HB3  MET   2           HG3      MET   2  10.977   7.297   4.145
    4    HE1  MET   2           HE2      MET   2   9.995   4.738   8.052
    5    HE2  MET   2           HE3      MET   2   8.465   5.482   8.520
    6    HE3  MET   2           HXT      MET   2   8.565   4.525   7.041
    7    HA   MET   2           HB1      MET   2  13.081   5.858   4.216
    8    HG2  MET   2           HD2      MET   2  10.777   5.264   5.318
    9    HG3  MET   2           HD3      MET   2  11.758   5.855   6.658

  No H/Q in entry =           9
  In of MODEL    4
    1    H    ASP   3           H        ASP   3  12.189   6.788   2.162
    2    HA   ASP   3           HB1      ASP   3  13.353   9.326   1.347
    3    HB2  ASP   3           HG2      ASP   3  14.247   6.658   0.333
    4    HB3  ASP   3           HG3      ASP   3  14.197   8.018  -0.785

  No H/Q in entry =           4
  In of MODEL    4
    1    H    CYS   4           H        CYS   4  11.863   6.409  -0.074
    2    HA   CYS   4           HB1      CYS   4   9.522   7.892  -0.847
    3    HB2  CYS   4           HG2      CYS   4  11.607   7.109  -2.844
    4    HB3  CYS   4           HG3      CYS   4   9.911   7.063  -3.312

  No H/Q in entry =           4
  In of MODEL    4
    1    H    THR   5           H        THR   5  11.397   4.928  -1.291
    2    HG1  THR   5          HG21      THR   5  10.845   2.939   1.226
    3   HG21  THR   5          HG22      THR   5   8.243   1.347  -0.555
    4   HG22  THR   5          HG23      THR   5   9.693   1.044   0.401
    5   HG23  THR   5           HXT      THR   5   8.206   1.561   1.195
    6    HA   THR   5           HB1      THR   5  10.819   2.729  -1.238
    7    HB   THR   5          HG12      THR   5   8.330   3.713   0.171

  No H/Q in entry =           7
  In of MODEL    4
    1    H    THR   6           H        THR   6   9.474   1.141  -2.261
    2    HG1  THR   6          HG21      THR   6  10.676   0.840  -4.029
    3   HG21  THR   6          HG22      THR   6   9.343   2.822  -5.570
    4   HG22  THR   6          HG23      THR   6  10.453   1.635  -6.256
    5   HG23  THR   6           HXT      THR   6   8.806   1.764  -6.875
    6    HA   THR   6           HB1      THR   6   7.610   2.294  -4.233
    7    HB   THR   6          HG12      THR   6   8.378   0.065  -5.496

  No H/Q in entry =           7
  In of MODEL    4
    1    H    GLY   7           H        GLY   7   5.898   0.867  -4.971
    2    HA2  GLY   7           HA3      GLY   7   4.849  -0.706  -2.759
    3    HA3  GLY   7           HXT      GLY   7   5.146  -1.589  -4.248

  No H/Q in entry =           3
  In of MODEL    4
    1    HB2  PRO   8           HG2      PRO   8  -0.083  -1.863  -3.612
    2    HB3  PRO   8           HG3      PRO   8  -0.323  -2.184  -5.333
    3    HG2  PRO   8           HD2      PRO   8   1.067  -3.876  -3.823
    4    HD2  PRO   8           HD3      PRO   8   2.723  -2.558  -2.905
    5    HG3  PRO   8           HD3      PRO   8   1.569  -3.517  -5.485
    6    HD3  PRO   8           HXT      PRO   8   3.541  -2.959  -4.429
    7    HA   PRO   8           HB1      PRO   8   1.227  -0.609  -5.978

  No H/Q in entry =           7
  In of MODEL    4
    1    H    CYS   9           H        CYS   9   1.731   0.130  -2.588
    2    HA   CYS   9           HB1      CYS   9  -0.491   1.924  -2.368
    3    HB2  CYS   9           HG2      CYS   9   0.469   0.753  -0.412
    4    HB3  CYS   9           HG3      CYS   9   1.958   1.671  -0.610

  No H/Q in entry =           4
  In of MODEL    4
    1    H    CYS  10           H        CYS  10   3.029   2.359  -2.663
    2    HA   CYS  10           HB1      CYS  10   2.595   5.203  -3.227
    3    HB2  CYS  10           HG2      CYS  10   5.055   5.403  -2.941
    4    HB3  CYS  10           HG3      CYS  10   4.249   4.758  -1.515

  No H/Q in entry =           4
  In of MODEL    4
    1    H    ARG  11           H        ARG  11   2.605   5.909  -5.246
    2    HB2  ARG  11           HG2      ARG  11   1.406   5.781  -7.581
    3    HB3  ARG  11           HG3      ARG  11   2.550   7.105  -7.414
    4    HG2  ARG  11           HD2      ARG  11   3.449   6.758  -9.535
    5    HD2  ARG  11           HD3      ARG  11   0.629   5.892 -10.055
    6    HG3  ARG  11           HD3      ARG  11   2.794   5.124  -9.646
    7    HE   ARG  11          HH12      ARG  11   2.544   6.881 -11.736
    8   HH11  ARG  11          HH21      ARG  11  -0.619   7.930 -10.701
    9   HH12  ARG  11          HH22      ARG  11  -0.969   8.753 -12.184
   10    HD3  ARG  11           HXT      ARG  11   0.984   7.503  -9.433
   11   HH21  ARG  11           HXT      ARG  11   2.086   7.964 -13.687
   12   HH22  ARG  11           H1       ARG  11   0.566   8.772 -13.879
   13    HA   ARG  11           HB1      ARG  11   3.242   4.161  -7.426

  No H/Q in entry =          13
  In of MODEL    4
    1    H    GLN  12           H        GLN  12   4.420   7.470  -6.823
    2    HB2  GLN  12           HG2      GLN  12   5.500   9.198  -8.028
    3    HB3  GLN  12           HG3      GLN  12   7.256   9.247  -8.103
    4   HE21  GLN  12          HE22      GLN  12   7.743   9.884 -11.134
    5   HE22  GLN  12           HXT      GLN  12   9.136   8.909 -11.440
    6    HA   GLN  12           HB1      GLN  12   7.029   6.632  -7.897
    7    HG2  GLN  12           HD2      GLN  12   5.723   7.432  -9.911
    8    HG3  GLN  12           HD3      GLN  12   5.882   9.147 -10.289

  No H/Q in entry =           8
  In of MODEL    4
    1    H    CYS  13           H        CYS  13   5.391   8.091  -5.198
    2    HA   CYS  13           HB1      CYS  13   7.496   7.600  -3.408
    3    HB2  CYS  13           HG2      CYS  13   8.447   9.556  -4.724
    4    HB3  CYS  13           HG3      CYS  13   7.176  10.541  -4.007

  No H/Q in entry =           4
  In of MODEL    4
    1    H    LYS  14           H        LYS  14   4.711   9.640  -4.152
    2    HB2  LYS  14           HG2      LYS  14   3.436  11.599  -3.259
    3    HB3  LYS  14           HG3      LYS  14   2.248  10.438  -3.837
    4    HG2  LYS  14           HG3      LYS  14   0.830  10.799  -2.072
    5    HG3  LYS  14           HD2      LYS  14   2.125  11.339  -1.002
    6    HD2  LYS  14           HD3      LYS  14   1.523  12.974  -3.412
    7    HE2  LYS  14           HE3      LYS  14   1.928  13.993  -0.641
    8    HE3  LYS  14           HZ1      LYS  14   3.306  13.334  -1.520
    9    HZ1  LYS  14           HZ2      LYS  14   1.590  15.328  -2.828
   10    HZ2  LYS  14           HZ3      LYS  14   2.731  15.844  -1.692
   11    HD3  LYS  14           HXT      LYS  14   0.390  13.038  -2.061
   12    HZ3  LYS  14           HXT      LYS  14   3.232  15.001  -3.071
   13    HA   LYS  14           HB1      LYS  14   3.969   9.977  -1.399

  No H/Q in entry =          13
  In of MODEL    4
    1    H    LEU  15           H        LEU  15   3.380   8.215  -0.293
    2   HD11  LEU  15          HD12      LEU  15   0.782   6.311   2.375
    3   HD12  LEU  15          HD13      LEU  15   2.032   5.595   3.394
    4   HD13  LEU  15          HD21      LEU  15   1.650   7.311   3.541
    5   HD21  LEU  15          HD22      LEU  15   4.868   6.403   1.551
    6   HD22  LEU  15          HD23      LEU  15   4.493   7.518   2.865
    7   HD23  LEU  15           HXT      LEU  15   4.183   5.793   3.058
    8    HG   LEU  15           HXT      LEU  15   2.668   7.845   1.525
    9    HA   LEU  15           HB1      LEU  15   2.015   6.007  -1.510
   10    HB2  LEU  15           HG2      LEU  15   1.920   5.119   0.812
   11    HB3  LEU  15           HG3      LEU  15   3.535   5.528   0.265

  No H/Q in entry =          11
  In of MODEL    4
    1    H    LYS  16           H        LYS  16  -0.089   5.276  -1.081
    2    HB2  LYS  16           HG2      LYS  16  -2.146   4.255  -0.599
    3    HB3  LYS  16           HG3      LYS  16  -3.612   5.224  -0.543
    4    HG2  LYS  16           HG3      LYS  16  -3.625   5.591  -2.784
    5    HG3  LYS  16           HD2      LYS  16  -1.866   5.529  -2.917
    6    HD2  LYS  16           HD3      LYS  16  -2.260   3.001  -2.256
    7    HE2  LYS  16           HE3      LYS  16  -2.284   4.412  -4.839
    8    HE3  LYS  16           HZ1      LYS  16  -1.236   3.117  -4.262
    9    HZ1  LYS  16           HZ2      LYS  16  -4.057   2.593  -4.959
   10    HZ2  LYS  16           HZ3      LYS  16  -2.856   2.606  -6.150
   11    HD3  LYS  16           HXT      LYS  16  -3.859   3.318  -2.935
   12    HZ3  LYS  16           HXT      LYS  16  -2.767   1.501  -4.872
   13    HA   LYS  16           HB1      LYS  16  -2.086   7.229  -1.055

  No H/Q in entry =          13
  In of MODEL    4
    1    HB2  PRO  17           HG2      PRO  17  -5.674   7.849   2.611
    2    HB3  PRO  17           HG3      PRO  17  -4.906   9.322   3.213
    3    HG2  PRO  17           HD2      PRO  17  -5.797   9.180   0.708
    4    HD2  PRO  17           HD3      PRO  17  -4.698   7.340  -0.150
    5    HG3  PRO  17           HD3      PRO  17  -4.285  10.023   1.093
    6    HD3  PRO  17           HXT      PRO  17  -3.451   8.560  -0.482
    7    HA   PRO  17           HB1      PRO  17  -2.797   8.413   3.125

  No H/Q in entry =           7
  In of MODEL    4
    1    H    ALA  18           H        ALA  18  -3.115   7.530   5.135
    2    HA   ALA  18           HB1      ALA  18  -2.942   4.764   5.436
    3    HB1  ALA  18           HB2      ALA  18  -2.255   6.537   7.095
    4    HB2  ALA  18           HB3      ALA  18  -3.952   6.635   7.564
    5    HB3  ALA  18           HXT      ALA  18  -3.066   5.125   7.772

  No H/Q in entry =           5
  In of MODEL    4
    1    H    GLY  19           H        GLY  19  -4.468   3.367   4.821
    2    HA2  GLY  19           HA3      GLY  19  -7.231   3.874   5.734
    3    HA3  GLY  19           HXT      GLY  19  -6.517   2.276   5.578

  No H/Q in entry =           3
  In of MODEL    4
    1    H    THR  20           H        THR  20  -5.236   3.179   2.987
    2    HG1  THR  20          HG21      THR  20  -7.683   5.369   1.296
    3   HG21  THR  20          HG22      THR  20  -7.683   4.030  -0.883
    4   HG22  THR  20          HG23      THR  20  -6.535   5.321  -1.238
    5   HG23  THR  20           HXT      THR  20  -6.046   3.635  -1.410
    6    HA   THR  20           HB1      THR  20  -7.650   2.925   1.317
    7    HB   THR  20          HG12      THR  20  -5.107   4.402   0.611

  No H/Q in entry =           7
  In of MODEL    4
    1    H    THR  21           H        THR  21  -7.637   1.391  -0.250
    2    HG1  THR  21          HG21      THR  21  -6.914  -2.553  -1.707
    3   HG21  THR  21          HG22      THR  21  -7.124   1.246  -2.731
    4   HG22  THR  21          HG23      THR  21  -7.450  -0.119  -3.798
    5   HG23  THR  21           HXT      THR  21  -8.736   0.532  -2.782
    6    HA   THR  21           HB1      THR  21  -5.969  -0.813  -0.064
    7    HB   THR  21          HG12      THR  21  -8.174  -0.843  -1.155

  No H/Q in entry =           7
  In of MODEL    4
    1    H    CYS  22           H        CYS  22  -4.244  -1.592  -1.285
    2    HA   CYS  22           HB1      CYS  22  -2.832   0.424  -2.906
    3    HB2  CYS  22           HG2      CYS  22  -0.707  -0.636  -2.087
    4    HB3  CYS  22           HG3      CYS  22  -1.626   0.208  -0.846

  No H/Q in entry =           4
  In of MODEL    4
    1    H    TRP  23           H        TRP  23  -3.332  -3.032  -2.314
    2    HE1  TRP  23           HE3      TRP  23  -2.018  -7.908  -7.162
    3    HE3  TRP  23           HZ2      TRP  23  -3.267  -7.965  -1.964
    4    HZ2  TRP  23           HZ3      TRP  23  -2.454 -10.515  -6.171
    5    HZ3  TRP  23           HH2      TRP  23  -3.440 -10.419  -2.022
    6    HH2  TRP  23           HXT      TRP  23  -3.042 -11.666  -4.083
    7    HA   TRP  23           HB1      TRP  23  -2.119  -3.743  -4.847
    8    HB2  TRP  23           HG2      TRP  23  -1.792  -5.192  -2.889
    9    HB3  TRP  23           HG3      TRP  23  -3.529  -5.461  -2.796
   10    HD1  TRP  23           HD2      TRP  23  -2.049  -5.494  -6.271

  No H/Q in entry =          10
  In of MODEL    4
    1    H    LYS  24           H        LYS  24  -5.238  -4.644  -3.416
    2    HB2  LYS  24           HG2      LYS  24  -6.836  -2.436  -4.858
    3    HB3  LYS  24           HG3      LYS  24  -6.478  -2.988  -6.488
    4    HG2  LYS  24           HG3      LYS  24  -8.818  -4.083  -6.374
    5    HG3  LYS  24           HD2      LYS  24  -9.086  -2.969  -5.031
    6    HD2  LYS  24           HD3      LYS  24  -8.159  -1.195  -6.725
    7    HE2  LYS  24           HE3      LYS  24 -10.427  -1.195  -5.800
    8    HE3  LYS  24           HZ1      LYS  24 -10.412  -0.733  -7.501
    9    HZ1  LYS  24           HZ2      LYS  24 -10.812  -3.559  -6.894
   10    HZ2  LYS  24           HZ3      LYS  24 -12.091  -2.512  -6.537
   11    HD3  LYS  24           HXT      LYS  24  -8.652  -2.389  -7.927
   12    HZ3  LYS  24           HXT      LYS  24 -11.492  -2.608  -8.117
   13    HA   LYS  24           HB1      LYS  24  -7.318  -4.887  -4.305

  No H/Q in entry =          13
  In of MODEL    4
    1    H    THR  25           H        THR  25  -7.559  -6.896  -5.064
    2    HG1  THR  25          HG21      THR  25  -6.066  -9.550  -4.873
    3   HG21  THR  25          HG22      THR  25  -4.933  -8.427  -8.504
    4   HG22  THR  25          HG23      THR  25  -4.374  -7.443  -7.151
    5   HG23  THR  25           HXT      THR  25  -3.942  -9.150  -7.238
    6    HA   THR  25           HB1      THR  25  -7.003  -7.364  -7.893
    7    HB   THR  25          HG12      THR  25  -6.265  -9.775  -6.968

  No H/Q in entry =           7
  In of MODEL    4
    1    H    SER  26           H        SER  26  -7.926  -9.600  -8.527
    2    HG   SER  26           HXT      SER  26 -11.551 -11.169 -10.225
    3    HA   SER  26           HB1      SER  26 -10.688  -9.579  -7.956
    4    HB2  SER  26           HG2      SER  26  -9.591 -10.442 -10.067
    5    HB3  SER  26           HG3      SER  26  -9.149 -11.886  -9.156

  No H/Q in entry =           5
  In of MODEL    4
    1    H    VAL  27           H        VAL  27  -8.000 -11.335  -6.587
    2    HB   VAL  27          HG12      VAL  27  -7.555 -13.893  -4.043
    3   HG11  VAL  27          HG12      VAL  27  -7.421 -13.628  -7.042
    4   HG12  VAL  27          HG13      VAL  27  -6.346 -14.649  -6.087
    5   HG13  VAL  27          HG21      VAL  27  -8.079 -14.976  -6.114
    6   HG21  VAL  27          HG22      VAL  27  -6.517 -11.665  -3.956
    7   HG22  VAL  27          HG23      VAL  27  -5.438 -12.872  -4.654
    8   HG23  VAL  27           HXT      VAL  27  -6.271 -11.723  -5.701
    9    HA   VAL  27           HB1      VAL  27  -9.645 -13.232  -5.182

  No H/Q in entry =           9
  In of MODEL    4
    1    H    SER  28           H        SER  28  -8.027 -10.202  -4.438
    2    HG   SER  28           HXT      SER  28  -8.806 -11.824  -0.048
    3    HA   SER  28           HB1      SER  28  -9.760  -9.504  -2.365
    4    HB2  SER  28           HG2      SER  28  -7.386 -11.097  -1.547
    5    HB3  SER  28           HG3      SER  28  -7.783  -9.690  -0.560

  No H/Q in entry =           5
  In of MODEL    4
    1    H    SER  29           H        SER  29  -8.461  -7.822  -0.811
    2    HG   SER  29           HXT      SER  29  -9.065  -5.870  -3.531
    3    HA   SER  29           HB1      SER  29  -6.668  -6.238  -2.512
    4    HB2  SER  29           HG2      SER  29  -8.792  -4.868  -0.890
    5    HB3  SER  29           HG3      SER  29  -7.900  -4.268  -2.288

  No H/Q in entry =           5
  In of MODEL    4
    1    H    HIS  30           H        HIS  30  -5.376  -4.679  -1.344
    2    HD1  HIS  30           HD2      HIS  30  -0.842  -6.593   0.560
    3    HD2  HIS  30           HE1      HIS  30  -4.854  -7.666   0.408
    4    HE1  HIS  30           HE2      HIS  30  -0.872  -9.104   0.692
    5    HE2  HIS  30           HXT      HIS  30  -3.305  -9.734   0.514
    6    HA   HIS  30           HB1      HIS  30  -5.038  -5.393   1.496
    7    HB2  HIS  30           HG2      HIS  30  -3.000  -4.828  -0.643
    8    HB3  HIS  30           HG3      HIS  30  -2.604  -4.637   1.061

  No H/Q in entry =           8
  In of MODEL    4
    1    H    TYR  31           H        TYR  31  -5.559  -3.792   2.818
    2    HD1  TYR  31           HD2      TYR  31  -8.364   0.113   4.804
    3    HD2  TYR  31           HE1      TYR  31  -7.777  -2.617   1.594
    4    HE1  TYR  31           HE2      TYR  31 -10.607   0.646   3.948
    5    HE2  TYR  31           HH       TYR  31 -10.018  -2.092   0.729
    6    HH   TYR  31           HXT      TYR  31 -12.125  -1.200   1.495
    7    HA   TYR  31           HB1      TYR  31  -5.781  -1.081   1.857
    8    HB2  TYR  31           HG2      TYR  31  -6.587  -2.569   4.288
    9    HB3  TYR  31           HG3      TYR  31  -6.262  -0.851   4.502

  No H/Q in entry =           9
  In of MODEL    4
    1    H    CYS  32           H        CYS  32  -4.085   0.219   1.743
    2    HA   CYS  32           HB1      CYS  32  -1.616  -0.273   3.015
    3    HB2  CYS  32           HG2      CYS  32  -2.020   1.086   0.907
    4    HB3  CYS  32           HG3      CYS  32  -2.539   2.399   1.957

  No H/Q in entry =           4
  In of MODEL    4
    1    H    THR  33           H        THR  33  -0.592   0.783   4.732
    2    HG1  THR  33          HG21      THR  33   0.526  -0.059   6.117
    3   HG21  THR  33          HG22      THR  33  -2.284  -0.197   7.651
    4   HG22  THR  33          HG23      THR  33  -0.809  -1.102   7.311
    5   HG23  THR  33           HXT      THR  33  -1.048  -0.369   8.897
    6    HA   THR  33           HB1      THR  33  -2.439   1.820   6.742
    7    HB   THR  33          HG12      THR  33  -0.338   1.626   8.216

  No H/Q in entry =           7
  In of MODEL    4
    1    H    GLY  34           H        GLY  34  -1.075   3.277   4.319
    2    HA2  GLY  34           HA3      GLY  34  -1.124   5.845   5.334
    3    HA3  GLY  34           HXT      GLY  34  -0.253   5.376   3.883

  No H/Q in entry =           3
  In of MODEL    4
    1    H    ARG  35           H        ARG  35   1.468   3.525   5.491
    2    HB2  ARG  35           HG2      ARG  35   4.018   3.767   8.213
    3    HB3  ARG  35           HG3      ARG  35   2.476   4.548   8.538
    4    HG2  ARG  35           HD2      ARG  35   1.304   2.654   7.536
    5    HD2  ARG  35           HD3      ARG  35   3.312   1.952   9.669
    6    HG3  ARG  35           HD3      ARG  35   2.852   1.869   7.215
    7    HE   ARG  35          HH12      ARG  35   1.567   0.170   8.412
    8   HH11  ARG  35          HH21      ARG  35   2.363   1.253  11.633
    9   HH12  ARG  35          HH22      ARG  35   1.924  -0.246  12.381
   10    HD3  ARG  35           HXT      ARG  35   1.666   2.539   9.903
   11   HH21  ARG  35           HXT      ARG  35   0.989  -1.802   9.394
   12   HH22  ARG  35           H1       ARG  35   1.144  -1.981  11.110
   13    HA   ARG  35           HB1      ARG  35   3.245   5.596   6.588

  No H/Q in entry =          13
  In of MODEL    4
    1    H    SER  36           H        SER  36   3.018   2.321   5.277
    2    HG   SER  36           HXT      SER  36   5.170   0.407   6.956
    3    HA   SER  36           HB1      SER  36   5.617   2.738   3.982
    4    HB2  SER  36           HG2      SER  36   5.774   0.089   4.446
    5    HB3  SER  36           HG3      SER  36   6.444   1.295   5.545

  No H/Q in entry =           5
  In of MODEL    4
    1    H    CYS  37           H        CYS  37   5.931   1.550   2.042
    2    HA   CYS  37           HB1      CYS  37   3.550   1.233   0.506
    3    HB2  CYS  37           HG2      CYS  37   6.371   0.423  -0.222
    4    HB3  CYS  37           HG3      CYS  37   5.031   0.676  -1.335

  No H/Q in entry =           4
  In of MODEL    4
    1    H    GLU  38           H        GLU  38   5.523  -0.898   2.374
    2    HB2  GLU  38           HG2      GLU  38   6.565  -2.649   3.126
    3    HB3  GLU  38           HG3      GLU  38   5.228  -3.301   4.063
    4    HA   GLU  38           HB1      GLU  38   4.944  -3.339   1.106
    5    HG2  GLU  38           HD2      GLU  38   6.452  -5.189   3.807
    6    HG3  GLU  38           HD3      GLU  38   5.466  -5.295   2.349

  No H/Q in entry =           6
  In of MODEL    4
    1    H    CYS  39           H        CYS  39   2.832  -3.667   0.586
    2    HA   CYS  39           HB1      CYS  39   0.632  -3.068   2.234
    3    HB2  CYS  39           HG2      CYS  39   0.875  -5.073  -0.018
    4    HB3  CYS  39           HG3      CYS  39  -0.644  -4.552   0.703

  No H/Q in entry =           4
  In of MODEL    4
    1    HB2  PRO  40           HG2      PRO  40  -2.356  -6.515   4.597
    2    HB3  PRO  40           HG3      PRO  40  -1.633  -6.207   6.180
    3    HG2  PRO  40           HD2      PRO  40  -2.868  -4.259   4.852
    4    HD2  PRO  40           HD3      PRO  40  -1.768  -4.202   2.824
    5    HG3  PRO  40           HD3      PRO  40  -1.388  -3.937   5.773
    6    HD3  PRO  40           HXT      PRO  40  -0.680  -3.132   3.732
    7    HA   PRO  40           HB1      PRO  40   0.510  -6.187   5.343

  No H/Q in entry =           7
  In of MODEL    4
    1    H    SER  41           H        SER  41  -0.413  -8.488   5.675
    2    HG   SER  41           HXT      SER  41   2.065 -10.922   3.492
    3    HA   SER  41           HB1      SER  41  -0.048  -9.977   3.161
    4    HB2  SER  41           HG2      SER  41   0.769 -10.554   5.990
    5    HB3  SER  41           HG3      SER  41   0.516 -11.886   4.862

  No H/Q in entry =           5
  In of MODEL    4
    1    H    TYR  42           H        TYR  42  -1.999  -9.636   6.050
    2    HD1  TYR  42           HD2      TYR  42  -1.241 -11.056   8.034
    3    HD2  TYR  42           HE1      TYR  42  -5.203  -9.595   8.550
    4    HE1  TYR  42           HE2      TYR  42  -0.433  -9.490   9.749
    5    HE2  TYR  42           HH       TYR  42  -4.406  -8.023  10.265
    6    HH   TYR  42           HXT      TYR  42  -1.271  -7.193  10.685
    7    HA   TYR  42           HB1      TYR  42  -3.875 -11.645   4.992
    8    HB2  TYR  42           HG2      TYR  42  -4.796 -11.649   7.348
    9    HB3  TYR  42           HG3      TYR  42  -3.167 -12.294   7.174

  No H/Q in entry =           9
  In of MODEL    4
    1    HB2  PRO  43           HG2      PRO  43  -9.218  -9.835   4.877
    2    HB3  PRO  43           HG3      PRO  43  -8.271 -10.194   3.428
    3    HG2  PRO  43           HD2      PRO  43  -8.343 -11.638   6.050
    4    HD2  PRO  43           HD3      PRO  43  -6.109 -12.192   5.941
    5    HG3  PRO  43           HD3      PRO  43  -8.337 -12.303   4.406
    6    HD3  PRO  43           HXT      PRO  43  -6.059 -12.040   4.173
    7    HA   PRO  43           HB1      PRO  43  -6.914  -8.539   4.265

  No H/Q in entry =           7
  In of MODEL    4
    1    H    GLY  44           H        GLY  44  -8.088  -6.942   5.284
    2    HA2  GLY  44           HA3      GLY  44  -8.441  -5.538   7.099
    3    HA3  GLY  44           HXT      GLY  44  -7.778  -6.780   8.150

  No H/Q in entry =           3
  In of MODEL    5
    1    H1   ALA   1           H1       ALA   1  19.383  12.179  -0.191
    2    H2   ALA   1           H2       ALA   1  18.582  13.158  -1.351
    3    H3   ALA   1           H3       ALA   1  18.659  13.660   0.286
    4    HA   ALA   1           HB1      ALA   1  17.169  12.131   0.988
    5    HB1  ALA   1           HB2      ALA   1  16.313  12.898  -1.800
    6    HB2  ALA   1           HB3      ALA   1  16.106  13.868  -0.342
    7    HB3  ALA   1           HXT      ALA   1  15.245  12.338  -0.513

  No H/Q in entry =           7
  In of MODEL    5
    1    H    MET   2           H        MET   2  17.395  10.018   1.311
    2    HB2  MET   2           HG2      MET   2  18.870   6.716   0.123
    3    HB3  MET   2           HG3      MET   2  19.582   8.256  -0.336
    4    HE1  MET   2           HE2      MET   2  20.292  10.433   2.088
    5    HE2  MET   2           HE3      MET   2  21.993  10.321   2.540
    6    HE3  MET   2           HXT      MET   2  21.529  10.299   0.838
    7    HA   MET   2           HB1      MET   2  17.272   8.237  -1.026
    8    HG2  MET   2           HD2      MET   2  18.841   8.879   2.142
    9    HG3  MET   2           HD3      MET   2  19.032   7.138   2.345

  No H/Q in entry =           9
  In of MODEL    5
    1    H    ASP   3           H        ASP   3  15.177   9.104   0.762
    2    HA   ASP   3           HB1      ASP   3  14.343   6.470   1.727
    3    HB2  ASP   3           HG2      ASP   3  14.399   9.006   3.356
    4    HB3  ASP   3           HG3      ASP   3  13.327   7.667   3.755

  No H/Q in entry =           4
  In of MODEL    5
    1    H    CYS   4           H        CYS   4  13.096   6.576  -0.255
    2    HA   CYS   4           HB1      CYS   4  10.794   8.402  -0.107
    3    HB2  CYS   4           HG2      CYS   4  12.389   7.326  -2.332
    4    HB3  CYS   4           HG3      CYS   4  10.650   7.273  -2.599

  No H/Q in entry =           4
  In of MODEL    5
    1    H    THR   5           H        THR   5  11.775   5.070  -0.159
    2    HG1  THR   5          HG21      THR   5   8.976   2.041   1.951
    3   HG21  THR   5          HG22      THR   5   8.051   5.439   1.316
    4   HG22  THR   5          HG23      THR   5   8.451   5.003   2.977
    5   HG23  THR   5           HXT      THR   5   9.591   5.942   2.014
    6    HA   THR   5           HB1      THR   5  10.623   3.095  -0.141
    7    HB   THR   5          HG12      THR   5  10.329   3.658   2.143

  No H/Q in entry =           7
  In of MODEL    5
    1    H    THR   6           H        THR   6   9.872   2.801  -2.206
    2    HG1  THR   6          HG21      THR   6  10.308   4.197  -4.534
    3   HG21  THR   6          HG22      THR   6   6.704   4.479  -4.934
    4   HG22  THR   6          HG23      THR   6   7.872   4.371  -6.251
    5   HG23  THR   6           HXT      THR   6   6.930   2.953  -5.789
    6    HA   THR   6           HB1      THR   6   7.167   3.792  -2.799
    7    HB   THR   6          HG12      THR   6   9.018   2.586  -4.835

  No H/Q in entry =           7
  In of MODEL    5
    1    H    GLY   7           H        GLY   7   5.869   2.271  -4.238
    2    HA2  GLY   7           HA3      GLY   7   5.680  -0.262  -2.869
    3    HA3  GLY   7           HXT      GLY   7   6.179  -0.405  -4.548

  No H/Q in entry =           3
  In of MODEL    5
    1    HB2  PRO   8           HG2      PRO   8   1.070  -2.068  -3.017
    2    HB3  PRO   8           HG3      PRO   8   0.802  -2.621  -4.674
    3    HG2  PRO   8           HD2      PRO   8   2.638  -3.783  -3.136
    4    HD2  PRO   8           HD3      PRO   8   3.997  -2.030  -2.498
    5    HG3  PRO   8           HD3      PRO   8   2.935  -3.511  -4.863
    6    HD3  PRO   8           HXT      PRO   8   4.791  -2.419  -4.038
    7    HA   PRO   8           HB1      PRO   8   1.890  -0.814  -5.591

  No H/Q in entry =           7
  In of MODEL    5
    1    H    CYS   9           H        CYS   9   2.194   0.073  -2.165
    2    HA   CYS   9           HB1      CYS   9  -0.132   1.834  -2.421
    3    HB2  CYS   9           HG2      CYS   9   0.451   0.127  -0.439
    4    HB3  CYS   9           HG3      CYS   9   1.289   1.549   0.174

  No H/Q in entry =           4
  In of MODEL    5
    1    H    CYS  10           H        CYS  10   2.543   2.399  -3.590
    2    HA   CYS  10           HB1      CYS  10   2.779   5.108  -2.581
    3    HB2  CYS  10           HG2      CYS  10   5.186   3.277  -2.656
    4    HB3  CYS  10           HG3      CYS  10   5.195   4.987  -2.243

  No H/Q in entry =           4
  In of MODEL    5
    1    H    ARG  11           H        ARG  11   2.905   6.431  -4.267
    2    HB2  ARG  11           HG2      ARG  11   1.956   7.594  -6.375
    3    HB3  ARG  11           HG3      ARG  11   3.449   8.300  -5.775
    4    HG2  ARG  11           HD2      ARG  11   3.824   7.404  -8.469
    5    HD2  ARG  11           HD3      ARG  11   4.736   9.406  -6.889
    6    HG3  ARG  11           HD3      ARG  11   2.392   8.430  -8.372
    7    HE   ARG  11          HH12      ARG  11   3.346  11.191  -7.158
    8   HH11  ARG  11          HH21      ARG  11   3.503   9.462 -10.185
    9   HH12  ARG  11          HH22      ARG  11   2.562  10.633 -11.046
   10    HD3  ARG  11           HXT      ARG  11   4.930   9.349  -8.641
   11   HH21  ARG  11           HXT      ARG  11   2.108  12.732  -8.288
   12   HH22  ARG  11           H1       ARG  11   1.770  12.490  -9.970
   13    HA   ARG  11           HB1      ARG  11   3.091   5.523  -6.916

  No H/Q in entry =          13
  In of MODEL    5
    1    H    GLN  12           H        GLN  12   5.349   7.955  -5.661
    2    HB2  GLN  12           HG2      GLN  12   6.958   9.140  -7.433
    3    HB3  GLN  12           HG3      GLN  12   8.584   8.482  -7.544
    4   HE21  GLN  12          HE22      GLN  12   9.167   7.697 -10.455
    5   HE22  GLN  12           HXT      GLN  12   8.739   9.021 -11.479
    6    HA   GLN  12           HB1      GLN  12   7.592   6.318  -6.602
    7    HG2  GLN  12           HD2      GLN  12   7.808   6.745  -9.045
    8    HG3  GLN  12           HD3      GLN  12   6.152   7.334  -8.895

  No H/Q in entry =           8
  In of MODEL    5
    1    H    CYS  13           H        CYS  13   6.300   7.758  -4.032
    2    HA   CYS  13           HB1      CYS  13   8.634   7.738  -2.494
    3    HB2  CYS  13           HG2      CYS  13   8.941   9.865  -3.939
    4    HB3  CYS  13           HG3      CYS  13   7.696  10.565  -2.910

  No H/Q in entry =           4
  In of MODEL    5
    1    H    LYS  14           H        LYS  14   5.481   9.305  -2.889
    2    HB2  LYS  14           HG2      LYS  14   3.659  10.458  -2.378
    3    HB3  LYS  14           HG3      LYS  14   2.668  10.097  -0.971
    4    HG2  LYS  14           HG3      LYS  14   5.217  11.646  -0.712
    5    HG3  LYS  14           HD2      LYS  14   3.704  12.431  -1.169
    6    HD2  LYS  14           HD3      LYS  14   2.653  11.668   0.875
    7    HE2  LYS  14           HE3      LYS  14   5.325  12.996   1.230
    8    HE3  LYS  14           HZ1      LYS  14   3.733  13.749   1.161
    9    HZ1  LYS  14           HZ2      LYS  14   3.218  12.505   3.255
   10    HZ2  LYS  14           HZ3      LYS  14   4.856  12.092   3.347
   11    HD3  LYS  14           HXT      LYS  14   4.105  10.769   1.317
   12    HZ3  LYS  14           HXT      LYS  14   4.388  13.716   3.414
   13    HA   LYS  14           HB1      LYS  14   5.008   9.236  -0.022

  No H/Q in entry =          13
  In of MODEL    5
    1    H    LEU  15           H        LEU  15   3.040   8.274   0.856
    2   HD11  LEU  15          HD12      LEU  15   2.683   4.465   3.838
    3   HD12  LEU  15          HD13      LEU  15   2.129   5.759   4.901
    4   HD13  LEU  15          HD21      LEU  15   0.992   4.966   3.811
    5   HD21  LEU  15          HD22      LEU  15   4.081   7.457   2.355
    6   HD22  LEU  15          HD23      LEU  15   3.216   8.041   3.777
    7   HD23  LEU  15           HXT      LEU  15   4.190   6.575   3.878
    8    HG   LEU  15           HXT      LEU  15   1.484   6.993   2.757
    9    HA   LEU  15           HB1      LEU  15   2.275   5.830  -0.604
   10    HB2  LEU  15           HG2      LEU  15   2.029   4.703   1.503
   11    HB3  LEU  15           HG3      LEU  15   3.627   5.419   1.425

  No H/Q in entry =          11
  In of MODEL    5
    1    H    LYS  16           H        LYS  16   0.112   5.075  -0.348
    2    HB2  LYS  16           HG2      LYS  16  -2.371   4.192   0.217
    3    HB3  LYS  16           HG3      LYS  16  -3.449   5.290  -0.634
    4    HG2  LYS  16           HG3      LYS  16  -1.531   5.332  -2.407
    5    HG3  LYS  16           HD2      LYS  16  -1.068   3.811  -1.641
    6    HD2  LYS  16           HD3      LYS  16  -2.860   2.705  -2.458
    7    HE2  LYS  16           HE3      LYS  16  -1.844   4.386  -4.322
    8    HE3  LYS  16           HZ1      LYS  16  -3.051   3.145  -4.652
    9    HZ1  LYS  16           HZ2      LYS  16  -4.648   5.103  -3.932
   10    HZ2  LYS  16           HZ3      LYS  16  -3.359   6.043  -4.494
   11    HD3  LYS  16           HXT      LYS  16  -3.932   4.095  -2.271
   12    HZ3  LYS  16           HXT      LYS  16  -4.108   4.930  -5.526
   13    HA   LYS  16           HB1      LYS  16  -1.846   7.062  -0.551

  No H/Q in entry =          13
  In of MODEL    5
    1    HB2  PRO  17           HG2      PRO  17  -5.784   7.733   2.713
    2    HB3  PRO  17           HG3      PRO  17  -5.083   9.207   3.391
    3    HG2  PRO  17           HD2      PRO  17  -5.700   9.064   0.806
    4    HD2  PRO  17           HD3      PRO  17  -4.524   7.222   0.067
    5    HG3  PRO  17           HD3      PRO  17  -4.234   9.902   1.348
    6    HD3  PRO  17           HXT      PRO  17  -3.240   8.433  -0.123
    7    HA   PRO  17           HB1      PRO  17  -2.972   8.302   3.517

  No H/Q in entry =           7
  In of MODEL    5
    1    H    ALA  18           H        ALA  18  -3.363   7.392   5.486
    2    HA   ALA  18           HB1      ALA  18  -3.347   4.607   5.755
    3    HB1  ALA  18           HB2      ALA  18  -2.820   6.644   7.424
    4    HB2  ALA  18           HB3      ALA  18  -4.404   6.161   8.030
    5    HB3  ALA  18           HXT      ALA  18  -3.089   4.988   7.967

  No H/Q in entry =           5
  In of MODEL    5
    1    H    GLY  19           H        GLY  19  -4.962   3.348   5.054
    2    HA2  GLY  19           HA3      GLY  19  -7.694   4.020   5.957
    3    HA3  GLY  19           HXT      GLY  19  -7.089   2.380   5.785

  No H/Q in entry =           3
  In of MODEL    5
    1    H    THR  20           H        THR  20  -5.724   3.115   3.233
    2    HG1  THR  20          HG21      THR  20  -6.118   5.728   2.091
    3   HG21  THR  20          HG22      THR  20  -6.497   3.377  -1.124
    4   HG22  THR  20          HG23      THR  20  -7.840   4.455  -0.740
    5   HG23  THR  20           HXT      THR  20  -6.258   5.124  -1.143
    6    HA   THR  20           HB1      THR  20  -8.118   3.239   1.519
    7    HB   THR  20          HG12      THR  20  -5.311   4.156   0.862

  No H/Q in entry =           7
  In of MODEL    5
    1    H    THR  21           H        THR  21  -8.028   2.009  -0.468
    2    HG1  THR  21          HG21      THR  21  -9.632   0.832  -0.797
    3   HG21  THR  21          HG22      THR  21  -9.137  -1.432  -0.099
    4   HG22  THR  21          HG23      THR  21  -9.818  -1.708  -1.702
    5   HG23  THR  21           HXT      THR  21  -8.235  -2.367  -1.291
    6    HA   THR  21           HB1      THR  21  -6.864  -0.588  -0.045
    7    HB   THR  21          HG12      THR  21  -7.921  -0.440  -2.661

  No H/Q in entry =           7
  In of MODEL    5
    1    H    CYS  22           H        CYS  22  -5.185  -1.528  -1.107
    2    HA   CYS  22           HB1      CYS  22  -3.670   0.196  -2.956
    3    HB2  CYS  22           HG2      CYS  22  -1.635  -0.879  -2.156
    4    HB3  CYS  22           HG3      CYS  22  -2.523  -0.186  -0.804

  No H/Q in entry =           4
  In of MODEL    5
    1    H    TRP  23           H        TRP  23  -4.680  -3.104  -2.227
    2    HE1  TRP  23           HE3      TRP  23  -1.936  -6.988  -7.414
    3    HE3  TRP  23           HZ2      TRP  23  -3.621  -8.333  -2.522
    4    HZ2  TRP  23           HZ3      TRP  23  -1.712  -9.755  -6.903
    5    HZ3  TRP  23           HH2      TRP  23  -3.088 -10.692  -2.975
    6    HH2  TRP  23           HXT      TRP  23  -2.153 -11.387  -5.121
    7    HA   TRP  23           HB1      TRP  23  -4.002  -3.852  -4.996
    8    HB2  TRP  23           HG2      TRP  23  -2.871  -5.005  -2.897
    9    HB3  TRP  23           HG3      TRP  23  -4.369  -5.930  -2.882
   10    HD1  TRP  23           HD2      TRP  23  -2.735  -4.874  -6.181

  No H/Q in entry =          10
  In of MODEL    5
    1    H    LYS  24           H        LYS  24  -5.611  -4.511  -6.279
    2    HB2  LYS  24           HG2      LYS  24  -9.330  -4.073  -6.882
    3    HB3  LYS  24           HG3      LYS  24  -8.546  -3.072  -5.667
    4    HG2  LYS  24           HG3      LYS  24  -6.556  -3.166  -7.413
    5    HG3  LYS  24           HD2      LYS  24  -7.892  -3.447  -8.532
    6    HD2  LYS  24           HD3      LYS  24  -8.998  -1.410  -7.622
    7    HE2  LYS  24           HE3      LYS  24  -7.279   0.224  -8.566
    8    HE3  LYS  24           HZ1      LYS  24  -6.273  -1.193  -8.866
    9    HZ1  LYS  24           HZ2      LYS  24  -8.538  -2.001  -9.962
   10    HZ2  LYS  24           HZ3      LYS  24  -8.717  -0.334 -10.195
   11    HD3  LYS  24           HXT      LYS  24  -7.550  -1.108  -6.658
   12    HZ3  LYS  24           HXT      LYS  24  -7.367  -1.136 -10.823
   13    HA   LYS  24           HB1      LYS  24  -8.149  -5.338  -5.051

  No H/Q in entry =          13
  In of MODEL    5
    1    H    THR  25           H        THR  25  -5.983  -6.882  -6.223
    2    HG1  THR  25          HG21      THR  25  -4.207 -10.114  -8.684
    3   HG21  THR  25          HG22      THR  25  -6.223  -9.921  -5.979
    4   HG22  THR  25          HG23      THR  25  -4.528 -10.343  -6.229
    5   HG23  THR  25           HXT      THR  25  -4.954  -8.797  -5.494
    6    HA   THR  25           HB1      THR  25  -6.534  -7.690  -8.852
    7    HB   THR  25          HG12      THR  25  -4.441  -8.230  -7.679

  No H/Q in entry =           7
  In of MODEL    5
    1    H    SER  26           H        SER  26  -7.181 -10.060  -9.333
    2    HG   SER  26           HXT      SER  26 -10.607 -12.517 -10.983
    3    HA   SER  26           HB1      SER  26  -9.854 -10.414  -8.248
    4    HB2  SER  26           HG2      SER  26  -9.351 -10.516 -10.723
    5    HB3  SER  26           HG3      SER  26  -8.511 -12.036 -10.418

  No H/Q in entry =           5
  In of MODEL    5
    1    H    VAL  27           H        VAL  27  -8.256 -10.934  -6.223
    2    HB   VAL  27          HG12      VAL  27  -5.892 -12.565  -5.333
    3   HG11  VAL  27          HG12      VAL  27  -7.166 -15.161  -4.735
    4   HG12  VAL  27          HG13      VAL  27  -5.512 -15.221  -5.343
    5   HG13  VAL  27          HG21      VAL  27  -5.882 -14.301  -3.885
    6   HG21  VAL  27          HG22      VAL  27  -6.854 -14.326  -7.583
    7   HG22  VAL  27          HG23      VAL  27  -6.200 -12.692  -7.706
    8   HG23  VAL  27           HXT      VAL  27  -5.156 -14.026  -7.215
    9    HA   VAL  27           HB1      VAL  27  -8.613 -13.779  -5.805

  No H/Q in entry =           9
  In of MODEL    5
    1    H    SER  28           H        SER  28  -7.345 -10.753  -4.479
    2    HG   SER  28           HXT      SER  28  -5.761 -10.544  -0.843
    3    HA   SER  28           HB1      SER  28  -9.059 -10.751  -2.254
    4    HB2  SER  28           HG2      SER  28  -7.714 -11.448  -0.459
    5    HB3  SER  28           HG3      SER  28  -7.408 -12.663  -1.700

  No H/Q in entry =           5
  In of MODEL    5
    1    H    SER  29           H        SER  29  -9.334  -8.639  -2.031
    2    HG   SER  29           HXT      SER  29 -10.221  -6.105  -3.862
    3    HA   SER  29           HB1      SER  29  -7.366  -6.737  -2.851
    4    HB2  SER  29           HG2      SER  29  -9.750  -6.015  -1.175
    5    HB3  SER  29           HG3      SER  29  -8.993  -5.105  -2.482

  No H/Q in entry =           5
  In of MODEL    5
    1    H    HIS  30           H        HIS  30  -6.278  -5.204  -1.564
    2    HD1  HIS  30           HD2      HIS  30  -1.809  -6.684   1.148
    3    HD2  HIS  30           HE1      HIS  30  -5.289  -8.148  -0.587
    4    HE1  HIS  30           HE2      HIS  30  -1.497  -9.176   1.015
    5    HE2  HIS  30           HXT      HIS  30  -3.650 -10.048   0.041
    6    HA   HIS  30           HB1      HIS  30  -5.969  -5.996   1.258
    7    HB2  HIS  30           HG2      HIS  30  -3.933  -5.105  -0.769
    8    HB3  HIS  30           HG3      HIS  30  -3.627  -4.938   0.957

  No H/Q in entry =           8
  In of MODEL    5
    1    H    TYR  31           H        TYR  31  -4.707  -4.042   2.414
    2    HD1  TYR  31           HD2      TYR  31  -8.241  -0.004   3.218
    3    HD2  TYR  31           HE1      TYR  31  -8.068  -4.245   2.919
    4    HE1  TYR  31           HE2      TYR  31 -10.578  -0.039   2.453
    5    HE2  TYR  31           HH       TYR  31 -10.404  -4.292   2.153
    6    HH   TYR  31           HXT      TYR  31 -12.399  -2.928   2.239
    7    HA   TYR  31           HB1      TYR  31  -5.917  -1.493   1.640
    8    HB2  TYR  31           HG2      TYR  31  -6.390  -2.968   4.208
    9    HB3  TYR  31           HG3      TYR  31  -6.414  -1.208   4.191

  No H/Q in entry =           9
  In of MODEL    5
    1    H    CYS  32           H        CYS  32  -5.094   0.289   3.190
    2    HA   CYS  32           HB1      CYS  32  -2.256  -0.225   3.795
    3    HB2  CYS  32           HG2      CYS  32  -3.305   1.539   1.884
    4    HB3  CYS  32           HG3      CYS  32  -2.806   2.560   3.228

  No H/Q in entry =           4
  In of MODEL    5
    1    H    THR  33           H        THR  33  -1.483   0.477   5.720
    2    HG1  THR  33          HG21      THR  33  -2.153   0.122  10.283
    3   HG21  THR  33          HG22      THR  33   0.017   0.763   7.548
    4   HG22  THR  33          HG23      THR  33   0.019   0.058   9.165
    5   HG23  THR  33           HXT      THR  33  -0.386  -0.940   7.768
    6    HA   THR  33           HB1      THR  33  -3.435   1.691   7.548
    7    HB   THR  33          HG12      THR  33  -2.507  -0.485   8.229

  No H/Q in entry =           7
  In of MODEL    5
    1    H    GLY  34           H        GLY  34  -1.684   3.098   5.542
    2    HA2  GLY  34           HA3      GLY  34  -1.127   5.406   6.974
    3    HA3  GLY  34           HXT      GLY  34  -0.409   5.003   5.422

  No H/Q in entry =           3
  In of MODEL    5
    1    H    ARG  35           H        ARG  35   0.944   2.625   6.378
    2    HB2  ARG  35           HG2      ARG  35   2.029   1.012   7.864
    3    HB3  ARG  35           HG3      ARG  35   3.599   1.390   8.560
    4    HG2  ARG  35           HD2      ARG  35   1.131   2.704   9.613
    5    HD2  ARG  35           HD3      ARG  35   3.601   3.249  10.229
    6    HG3  ARG  35           HD3      ARG  35   1.562   1.067  10.115
    7    HE   ARG  35          HH12      ARG  35   3.724   0.643  10.975
    8   HH11  ARG  35          HH21      ARG  35   3.922   3.664  12.710
    9   HH12  ARG  35          HH22      ARG  35   4.969   3.034  13.938
   10    HD3  ARG  35           HXT      ARG  35   2.384   3.121  11.498
   11   HH21  ARG  35           HXT      ARG  35   5.100  -0.187  12.589
   12   HH22  ARG  35           H1       ARG  35   5.638   0.848  13.869
   13    HA   ARG  35           HB1      ARG  35   2.964   3.855   8.133

  No H/Q in entry =          13
  In of MODEL    5
    1    H    SER  36           H        SER  36   2.885   1.127   5.867
    2    HG   SER  36           HXT      SER  36   7.420   0.864   4.949
    3    HA   SER  36           HB1      SER  36   5.137   2.332   4.418
    4    HB2  SER  36           HG2      SER  36   5.721   0.426   6.132
    5    HB3  SER  36           HG3      SER  36   5.100  -0.631   4.865

  No H/Q in entry =           5
  In of MODEL    5
    1    H    CYS  37           H        CYS  37   5.560   1.021   2.331
    2    HA   CYS  37           HB1      CYS  37   3.133   1.040   0.828
    3    HB2  CYS  37           HG2      CYS  37   5.778  -0.055  -0.119
    4    HB3  CYS  37           HG3      CYS  37   4.488   0.654  -1.084

  No H/Q in entry =           4
  In of MODEL    5
    1    H    GLU  38           H        GLU  38   5.152  -1.441   2.248
    2    HB2  GLU  38           HG2      GLU  38   5.398  -3.273   3.587
    3    HB3  GLU  38           HG3      GLU  38   4.774  -4.852   3.132
    4    HA   GLU  38           HB1      GLU  38   4.181  -3.676   0.877
    5    HG2  GLU  38           HD2      GLU  38   6.290  -4.984   1.281
    6    HG3  GLU  38           HD3      GLU  38   6.828  -3.327   1.550

  No H/Q in entry =           6
  In of MODEL    5
    1    H    CYS  39           H        CYS  39   2.019  -3.859   0.599
    2    HA   CYS  39           HB1      CYS  39   0.053  -3.208   2.489
    3    HB2  CYS  39           HG2      CYS  39  -0.108  -5.182   0.202
    4    HB3  CYS  39           HG3      CYS  39  -1.484  -4.498   1.061

  No H/Q in entry =           4
  In of MODEL    5
    1    HB2  PRO  40           HG2      PRO  40  -2.912  -6.578   5.006
    2    HB3  PRO  40           HG3      PRO  40  -2.040  -6.356   6.527
    3    HG2  PRO  40           HD2      PRO  40  -3.281  -4.308   5.367
    4    HD2  PRO  40           HD3      PRO  40  -2.360  -4.241   3.253
    5    HG3  PRO  40           HD3      PRO  40  -1.711  -4.089   6.162
    6    HD3  PRO  40           HXT      PRO  40  -1.142  -3.257   4.089
    7    HA   PRO  40           HB1      PRO  40   0.022  -6.415   5.506

  No H/Q in entry =           7
  In of MODEL    5
    1    H    SER  41           H        SER  41  -0.986  -8.677   5.859
    2    HG   SER  41           HXT      SER  41   1.015 -12.634   4.148
    3    HA   SER  41           HB1      SER  41  -1.127 -10.087   3.275
    4    HB2  SER  41           HG2      SER  41   1.044 -10.454   4.424
    5    HB3  SER  41           HG3      SER  41   0.173 -11.107   5.812

  No H/Q in entry =           5
  In of MODEL    5
    1    H    TYR  42           H        TYR  42  -3.297  -9.099   4.965
    2    HD1  TYR  42           HD2      TYR  42  -5.821 -10.114   9.052
    3    HD2  TYR  42           HE1      TYR  42  -1.981 -10.157   7.221
    4    HE1  TYR  42           HE2      TYR  42  -5.003  -8.528  10.744
    5    HE2  TYR  42           HH       TYR  42  -1.152  -8.572   8.908
    6    HH   TYR  42           HXT      TYR  42  -2.420  -6.711  10.465
    7    HA   TYR  42           HB1      TYR  42  -4.966 -11.373   4.903
    8    HB2  TYR  42           HG2      TYR  42  -5.415 -11.607   7.321
    9    HB3  TYR  42           HG3      TYR  42  -3.757 -12.036   6.912

  No H/Q in entry =           9
  In of MODEL    5
    1    HB2  PRO  43           HG2      PRO  43  -8.779  -7.940   2.772
    2    HB3  PRO  43           HG3      PRO  43  -7.139  -7.344   2.493
    3    HG2  PRO  43           HD2      PRO  43  -8.162 -10.158   2.467
    4    HD2  PRO  43           HD3      PRO  43  -6.200 -11.005   3.331
    5    HG3  PRO  43           HD3      PRO  43  -7.039  -9.365   1.346
    6    HD3  PRO  43           HXT      PRO  43  -5.241  -9.622   2.766
    7    HA   PRO  43           HB1      PRO  43  -7.091  -7.279   4.791

  No H/Q in entry =           7
  In of MODEL    5
    1    H    GLY  44           H        GLY  44  -9.200  -6.718   5.440
    2    HA2  GLY  44           HA3      GLY  44 -10.949  -8.956   6.222
    3    HA3  GLY  44           HXT      GLY  44 -11.479  -7.301   5.956

  No H/Q in entry =           3
  In of MODEL    6
    1    H1   ALA   1           H1       ALA   1   8.502  10.858   3.927
    2    H2   ALA   1           H2       ALA   1   7.891  10.466   5.479
    3    H3   ALA   1           H3       ALA   1   8.850  11.873   5.266
    4    HA   ALA   1           HB1      ALA   1  10.232  10.338   6.235
    5    HB1  ALA   1           HB2      ALA   1   8.788   8.444   4.473
    6    HB2  ALA   1           HB3      ALA   1   9.297   8.270   6.152
    7    HB3  ALA   1           HXT      ALA   1  10.471   8.079   4.851

  No H/Q in entry =           7
  In of MODEL    6
    1    H    MET   2           H        MET   2  12.396  10.147   5.668
    2    HB2  MET   2           HG2      MET   2  13.929  12.021   5.505
    3    HB3  MET   2           HG3      MET   2  15.175  10.850   5.096
    4    HE1  MET   2           HE2      MET   2  17.211  11.345   5.287
    5    HE2  MET   2           HE3      MET   2  18.576  11.158   4.186
    6    HE3  MET   2           HXT      MET   2  18.100  12.765   4.735
    7    HA   MET   2           HB1      MET   2  13.065  11.300   3.061
    8    HG2  MET   2           HD2      MET   2  14.474  12.937   3.100
    9    HG3  MET   2           HD3      MET   2  15.434  13.394   4.506

  No H/Q in entry =           9
  In of MODEL    6
    1    H    ASP   3           H        ASP   3  12.261   8.581   3.149
    2    HA   ASP   3           HB1      ASP   3  14.775   7.282   2.333
    3    HB2  ASP   3           HG2      ASP   3  12.551   6.221   4.041
    4    HB3  ASP   3           HG3      ASP   3  13.482   5.113   3.038

  No H/Q in entry =           4
  In of MODEL    6
    1    H    CYS   4           H        CYS   4  11.231   7.170   2.031
    2    HA   CYS   4           HB1      CYS   4   9.866   6.706   0.272
    3    HB2  CYS   4           HG2      CYS   4  12.339   7.547  -1.243
    4    HB3  CYS   4           HG3      CYS   4  10.808   7.180  -2.030

  No H/Q in entry =           4
  In of MODEL    6
    1    H    THR   5           H        THR   5   9.279   4.643   0.130
    2    HG1  THR   5          HG21      THR   5   8.914   2.485   2.240
    3   HG21  THR   5          HG22      THR   5  11.277   0.716   0.010
    4   HG22  THR   5          HG23      THR   5  10.703   0.581   1.672
    5   HG23  THR   5           HXT      THR   5   9.759  -0.113   0.354
    6    HA   THR   5           HB1      THR   5  11.249   2.663  -0.779
    7    HB   THR   5          HG12      THR   5   8.621   1.779   0.272

  No H/Q in entry =           7
  In of MODEL    6
    1    H    THR   6           H        THR   6  10.172   0.769  -1.999
    2    HG1  THR   6          HG21      THR   6  11.502   0.417  -3.505
    3   HG21  THR   6          HG22      THR   6  10.103   2.462  -5.396
    4   HG22  THR   6          HG23      THR   6  11.628   1.578  -5.345
    5   HG23  THR   6           HXT      THR   6  10.447   1.226  -6.606
    6    HA   THR   6           HB1      THR   6   8.489   1.928  -4.118
    7    HB   THR   6          HG12      THR   6   9.432  -0.252  -5.321

  No H/Q in entry =           7
  In of MODEL    6
    1    H    GLY   7           H        GLY   7   6.888   0.542  -5.113
    2    HA2  GLY   7           HA3      GLY   7   5.632  -1.196  -3.120
    3    HA3  GLY   7           HXT      GLY   7   5.992  -1.891  -4.693

  No H/Q in entry =           3
  In of MODEL    6
    1    HB2  PRO   8           HG2      PRO   8   0.350  -2.082  -5.518
    2    HB3  PRO   8           HG3      PRO   8   1.609  -2.468  -6.697
    3    HG2  PRO   8           HD2      PRO   8   1.483  -3.122  -3.778
    4    HD2  PRO   8           HD3      PRO   8   3.748  -2.871  -3.496
    5    HG3  PRO   8           HD3      PRO   8   1.984  -4.150  -5.134
    6    HD3  PRO   8           HXT      PRO   8   4.097  -3.253  -5.194
    7    HA   PRO   8           HB1      PRO   8   2.207  -0.280  -6.272

  No H/Q in entry =           7
  In of MODEL    6
    1    H    CYS   9           H        CYS   9   2.755   1.314  -4.231
    2    HA   CYS   9           HB1      CYS   9   0.276   2.242  -3.338
    3    HB2  CYS   9           HG2      CYS   9   0.851   0.072  -1.872
    4    HB3  CYS   9           HG3      CYS   9   1.729   1.274  -0.933

  No H/Q in entry =           4
  In of MODEL    6
    1    H    CYS  10           H        CYS  10   2.662   3.259  -4.490
    2    HA   CYS  10           HB1      CYS  10   3.119   5.481  -2.701
    3    HB2  CYS  10           HG2      CYS  10   5.191   3.419  -3.246
    4    HB3  CYS  10           HG3      CYS  10   5.710   5.100  -3.260

  No H/Q in entry =           4
  In of MODEL    6
    1    H    ARG  11           H        ARG  11   3.645   7.341  -3.773
    2    HB2  ARG  11           HG2      ARG  11   2.306   8.887  -4.952
    3    HB3  ARG  11           HG3      ARG  11   3.760   9.821  -5.276
    4    HG2  ARG  11           HD2      ARG  11   2.513  10.646  -6.954
    5    HD2  ARG  11           HD3      ARG  11   0.945   8.125  -6.671
    6    HG3  ARG  11           HD3      ARG  11   3.060   9.190  -7.788
    7    HE   ARG  11          HH12      ARG  11   0.085   9.805  -8.839
    8   HH11  ARG  11          HH21      ARG  11   1.986   7.012  -7.963
    9   HH12  ARG  11          HH22      ARG  11   1.895   6.301  -9.539
   10    HD3  ARG  11           HXT      ARG  11   0.405   9.801  -6.569
   11   HH21  ARG  11           HXT      ARG  11  -0.036   8.870 -10.912
   12   HH22  ARG  11           H1       ARG  11   0.748   7.355 -11.214
   13    HA   ARG  11           HB1      ARG  11   3.503   7.216  -6.677

  No H/Q in entry =          13
  In of MODEL    6
    1    H    GLN  12           H        GLN  12   5.828   6.133  -6.011
    2    HB2  GLN  12           HG2      GLN  12   7.700   9.117  -7.310
    3    HB3  GLN  12           HG3      GLN  12   8.892   7.977  -7.918
    4   HE21  GLN  12          HE22      GLN  12   8.661   6.405 -10.032
    5   HE22  GLN  12           HXT      GLN  12   8.921   7.385 -11.432
    6    HA   GLN  12           HB1      GLN  12   8.033   6.214  -6.589
    7    HG2  GLN  12           HD2      GLN  12   6.718   6.723  -8.758
    8    HG3  GLN  12           HD3      GLN  12   6.057   8.356  -8.689

  No H/Q in entry =           8
  In of MODEL    6
    1    H    CYS  13           H        CYS  13   6.668   7.676  -4.071
    2    HA   CYS  13           HB1      CYS  13   8.981   7.814  -2.523
    3    HB2  CYS  13           HG2      CYS  13   8.632  10.120  -4.135
    4    HB3  CYS  13           HG3      CYS  13   8.253  10.589  -2.481

  No H/Q in entry =           4
  In of MODEL    6
    1    H    LYS  14           H        LYS  14   5.926   9.615  -2.904
    2    HB2  LYS  14           HG2      LYS  14   3.524  10.392  -2.254
    3    HB3  LYS  14           HG3      LYS  14   3.430  10.768  -0.539
    4    HG2  LYS  14           HG3      LYS  14   5.095  12.328  -0.645
    5    HG3  LYS  14           HD2      LYS  14   5.875  11.562  -2.031
    6    HD2  LYS  14           HD3      LYS  14   3.161  12.590  -2.522
    7    HE2  LYS  14           HE3      LYS  14   5.781  12.411  -3.917
    8    HE3  LYS  14           HZ1      LYS  14   4.175  11.930  -4.465
    9    HZ1  LYS  14           HZ2      LYS  14   3.650  14.361  -4.581
   10    HZ2  LYS  14           HZ3      LYS  14   5.295  14.670  -4.333
   11    HD3  LYS  14           HXT      LYS  14   4.380  13.817  -2.174
   12    HZ3  LYS  14           HXT      LYS  14   4.791  13.822  -5.707
   13    HA   LYS  14           HB1      LYS  14   5.392   9.468  -0.070

  No H/Q in entry =          13
  In of MODEL    6
    1    H    LEU  15           H        LEU  15   3.925   8.185   0.959
    2   HD11  LEU  15          HD12      LEU  15   3.128   4.736   3.862
    3   HD12  LEU  15          HD13      LEU  15   3.746   6.053   4.859
    4   HD13  LEU  15          HD21      LEU  15   2.068   6.070   4.318
    5   HD21  LEU  15          HD22      LEU  15   5.362   6.997   1.860
    6   HD22  LEU  15          HD23      LEU  15   5.059   7.900   3.345
    7   HD23  LEU  15           HXT      LEU  15   5.502   6.194   3.424
    8    HG   LEU  15           HXT      LEU  15   2.906   7.463   2.747
    9    HA   LEU  15           HB1      LEU  15   2.937   5.895  -0.568
   10    HB2  LEU  15           HG2      LEU  15   2.420   5.016   1.776
   11    HB3  LEU  15           HG3      LEU  15   4.105   5.156   1.311

  No H/Q in entry =          11
  In of MODEL    6
    1    H    LYS  16           H        LYS  16   0.783   5.201  -0.474
    2    HB2  LYS  16           HG2      LYS  16  -1.179   4.236  -0.583
    3    HB3  LYS  16           HG3      LYS  16  -2.701   5.044  -0.232
    4    HG2  LYS  16           HG3      LYS  16  -2.903   5.887  -2.341
    5    HG3  LYS  16           HD2      LYS  16  -1.159   5.939  -2.606
    6    HD2  LYS  16           HD3      LYS  16  -1.191   3.430  -2.675
    7    HE2  LYS  16           HE3      LYS  16  -1.396   5.056  -4.691
    8    HE3  LYS  16           HZ1      LYS  16  -1.691   3.334  -4.923
    9    HZ1  LYS  16           HZ2      LYS  16  -4.114   3.904  -4.526
   10    HZ2  LYS  16           HZ3      LYS  16  -3.672   5.522  -4.741
   11    HD3  LYS  16           HXT      LYS  16  -2.954   3.518  -2.654
   12    HZ3  LYS  16           HXT      LYS  16  -3.447   4.409  -5.995
   13    HA   LYS  16           HB1      LYS  16  -1.162   7.207  -0.601

  No H/Q in entry =          13
  In of MODEL    6
    1    HB2  PRO  17           HG2      PRO  17  -5.252   7.469   2.576
    2    HB3  PRO  17           HG3      PRO  17  -4.654   8.940   3.352
    3    HG2  PRO  17           HD2      PRO  17  -5.201   8.907   0.747
    4    HD2  PRO  17           HD3      PRO  17  -3.904   7.182  -0.064
    5    HG3  PRO  17           HD3      PRO  17  -3.799   9.795   1.373
    6    HD3  PRO  17           HXT      PRO  17  -2.684   8.469  -0.146
    7    HA   PRO  17           HB1      PRO  17  -2.495   8.152   3.480

  No H/Q in entry =           7
  In of MODEL    6
    1    H    ALA  18           H        ALA  18  -2.862   7.116   5.389
    2    HA   ALA  18           HB1      ALA  18  -2.767   4.299   5.460
    3    HB1  ALA  18           HB2      ALA  18  -2.159   6.222   7.233
    4    HB2  ALA  18           HB3      ALA  18  -3.713   5.698   7.880
    5    HB3  ALA  18           HXT      ALA  18  -2.404   4.533   7.678

  No H/Q in entry =           5
  In of MODEL    6
    1    H    GLY  19           H        GLY  19  -4.404   3.055   4.803
    2    HA2  GLY  19           HA3      GLY  19  -7.098   3.685   5.839
    3    HA3  GLY  19           HXT      GLY  19  -6.499   2.053   5.579

  No H/Q in entry =           3
  In of MODEL    6
    1    H    THR  20           H        THR  20  -5.237   2.904   3.004
    2    HG1  THR  20          HG21      THR  20  -4.549   5.067   1.612
    3   HG21  THR  20          HG22      THR  20  -7.457   4.327  -0.627
    4   HG22  THR  20          HG23      THR  20  -6.042   5.309  -1.007
    5   HG23  THR  20           HXT      THR  20  -6.101   3.617  -1.503
    6    HA   THR  20           HB1      THR  20  -7.645   3.328   1.378
    7    HB   THR  20          HG12      THR  20  -4.816   3.414   0.355

  No H/Q in entry =           7
  In of MODEL    6
    1    H    THR  21           H        THR  21  -7.621   2.153  -0.771
    2    HG1  THR  21          HG21      THR  21 -10.293   0.766  -1.636
    3   HG21  THR  21          HG22      THR  21  -8.655  -1.808  -0.025
    4   HG22  THR  21          HG23      THR  21 -10.187  -1.555  -0.860
    5   HG23  THR  21           HXT      THR  21  -8.852  -2.352  -1.691
    6    HA   THR  21           HB1      THR  21  -6.891  -0.651  -0.281
    7    HB   THR  21          HG12      THR  21  -8.637  -0.266  -2.554

  No H/Q in entry =           7
  In of MODEL    6
    1    H    CYS  22           H        CYS  22  -5.007  -1.157  -1.186
    2    HA   CYS  22           HB1      CYS  22  -4.262   0.057  -3.744
    3    HB2  CYS  22           HG2      CYS  22  -2.015  -0.947  -3.265
    4    HB3  CYS  22           HG3      CYS  22  -2.553   0.223  -2.065

  No H/Q in entry =           4
  In of MODEL    6
    1    H    TRP  23           H        TRP  23  -5.043  -3.009  -2.265
    2    HE1  TRP  23           HE3      TRP  23  -2.660  -7.375  -7.184
    3    HE3  TRP  23           HZ2      TRP  23  -3.665  -8.295  -2.014
    4    HZ2  TRP  23           HZ3      TRP  23  -2.108 -10.036  -6.419
    5    HZ3  TRP  23           HH2      TRP  23  -2.951 -10.634  -2.279
    6    HH2  TRP  23           HXT      TRP  23  -2.189 -11.486  -4.437
    7    HA   TRP  23           HB1      TRP  23  -4.849  -4.279  -4.917
    8    HB2  TRP  23           HG2      TRP  23  -3.294  -4.979  -2.817
    9    HB3  TRP  23           HG3      TRP  23  -4.682  -6.023  -2.530
   10    HD1  TRP  23           HD2      TRP  23  -3.527  -5.212  -6.090

  No H/Q in entry =          10
  In of MODEL    6
    1    H    LYS  24           H        LYS  24  -6.715  -5.000  -5.691
    2    HB2  LYS  24           HG2      LYS  24  -9.260  -4.041  -6.219
    3    HB3  LYS  24           HG3      LYS  24 -10.514  -4.665  -5.156
    4    HG2  LYS  24           HG3      LYS  24  -9.817  -3.318  -3.364
    5    HG3  LYS  24           HD2      LYS  24  -8.275  -2.946  -4.138
    6    HD2  LYS  24           HD3      LYS  24 -10.672  -2.187  -5.670
    7    HE2  LYS  24           HE3      LYS  24  -9.169   0.018  -5.499
    8    HE3  LYS  24           HZ1      LYS  24  -7.940  -1.190  -5.127
    9    HZ1  LYS  24           HZ2      LYS  24  -9.673  -1.667  -7.436
   10    HZ2  LYS  24           HZ3      LYS  24  -8.473  -0.484  -7.585
   11    HD3  LYS  24           HXT      LYS  24 -10.429  -1.305  -4.161
   12    HZ3  LYS  24           HXT      LYS  24  -8.048  -2.077  -7.202
   13    HA   LYS  24           HB1      LYS  24  -8.818  -5.823  -3.816

  No H/Q in entry =          13
  In of MODEL    6
    1    H    THR  25           H        THR  25  -7.038  -7.470  -5.264
    2    HG1  THR  25          HG21      THR  25  -4.714  -9.317  -6.654
    3   HG21  THR  25          HG22      THR  25  -7.214 -10.421  -8.477
    4   HG22  THR  25          HG23      THR  25  -5.543 -10.736  -8.011
    5   HG23  THR  25           HXT      THR  25  -6.857 -11.617  -7.231
    6    HA   THR  25           HB1      THR  25  -8.040  -8.404  -7.707
    7    HB   THR  25          HG12      THR  25  -6.626 -10.077  -5.628

  No H/Q in entry =           7
  In of MODEL    6
    1    H    SER  26           H        SER  26  -9.189 -10.375  -8.175
    2    HG   SER  26           HXT      SER  26 -12.911 -11.405  -8.947
    3    HA   SER  26           HB1      SER  26 -11.608 -10.620  -6.792
    4    HB2  SER  26           HG2      SER  26 -10.778 -11.424  -9.216
    5    HB3  SER  26           HG3      SER  26 -10.664 -12.962  -8.361

  No H/Q in entry =           5
  In of MODEL    6
    1    H    VAL  27           H        VAL  27  -8.554 -12.253  -6.391
    2    HB   VAL  27          HG12      VAL  27  -6.728 -13.314  -4.827
    3   HG11  VAL  27          HG12      VAL  27  -7.997 -15.858  -3.902
    4   HG12  VAL  27          HG13      VAL  27  -6.316 -15.849  -4.435
    5   HG13  VAL  27          HG21      VAL  27  -6.818 -14.831  -3.085
    6   HG21  VAL  27          HG22      VAL  27  -8.212 -14.968  -6.805
    7   HG22  VAL  27          HG23      VAL  27  -6.970 -13.743  -7.061
    8   HG23  VAL  27           HXT      VAL  27  -6.519 -15.351  -6.494
    9    HA   VAL  27           HB1      VAL  27  -9.542 -14.406  -4.800

  No H/Q in entry =           9
  In of MODEL    6
    1    H    SER  28           H        SER  28  -8.403 -11.162  -4.144
    2    HG   SER  28           HXT      SER  28  -6.149 -11.100  -2.309
    3    HA   SER  28           HB1      SER  28  -9.642 -11.022  -1.630
    4    HB2  SER  28           HG2      SER  28  -7.890 -11.222  -0.077
    5    HB3  SER  28           HG3      SER  28  -7.624 -12.575  -1.177

  No H/Q in entry =           5
  In of MODEL    6
    1    H    SER  29           H        SER  29  -8.856  -9.027  -0.378
    2    HG   SER  29           HXT      SER  29 -10.849  -7.459  -0.360
    3    HA   SER  29           HB1      SER  29  -7.667  -7.015  -2.139
    4    HB2  SER  29           HG2      SER  29  -9.442  -5.415  -1.723
    5    HB3  SER  29           HG3      SER  29 -10.145  -6.885  -2.397

  No H/Q in entry =           5
  In of MODEL    6
    1    H    HIS  30           H        HIS  30  -6.001  -6.229  -1.045
    2    HD1  HIS  30           HD2      HIS  30  -1.902  -7.673   0.524
    3    HD2  HIS  30           HE1      HIS  30  -5.978  -8.474   0.435
    4    HE1  HIS  30           HE2      HIS  30  -2.093 -10.131   0.030
    5    HE2  HIS  30           HXT      HIS  30  -4.570 -10.575  -0.104
    6    HA   HIS  30           HB1      HIS  30  -6.102  -6.132   1.876
    7    HB2  HIS  30           HG2      HIS  30  -3.734  -5.543   0.095
    8    HB3  HIS  30           HG3      HIS  30  -3.717  -5.892   1.820

  No H/Q in entry =           8
  In of MODEL    6
    1    H    TYR  31           H        TYR  31  -4.567  -4.147   2.641
    2    HD1  TYR  31           HD2      TYR  31  -7.799   0.331   2.838
    3    HD2  TYR  31           HE1      TYR  31  -7.683  -3.919   2.690
    4    HE1  TYR  31           HE2      TYR  31 -10.130   0.301   2.057
    5    HE2  TYR  31           HH       TYR  31 -10.014  -3.962   1.907
    6    HH   TYR  31           HXT      TYR  31 -11.583  -1.382   0.663
    7    HA   TYR  31           HB1      TYR  31  -5.426  -1.699   1.284
    8    HB2  TYR  31           HG2      TYR  31  -6.059  -2.463   4.122
    9    HB3  TYR  31           HG3      TYR  31  -5.926  -0.772   3.653

  No H/Q in entry =           9
  In of MODEL    6
    1    H    CYS  32           H        CYS  32  -4.378   0.262   2.424
    2    HA   CYS  32           HB1      CYS  32  -1.585  -0.453   3.015
    3    HB2  CYS  32           HG2      CYS  32  -2.699   1.362   1.147
    4    HB3  CYS  32           HG3      CYS  32  -1.895   2.330   2.379

  No H/Q in entry =           4
  In of MODEL    6
    1    H    THR  33           H        THR  33  -0.777   0.012   4.957
    2    HG1  THR  33          HG21      THR  33   0.887   0.587   7.691
    3   HG21  THR  33          HG22      THR  33  -2.739  -0.937   6.943
    4   HG22  THR  33          HG23      THR  33  -1.233  -1.854   6.885
    5   HG23  THR  33           HXT      THR  33  -2.011  -1.534   8.434
    6    HA   THR  33           HB1      THR  33  -2.428   1.562   6.809
    7    HB   THR  33          HG12      THR  33  -1.177   0.535   8.579

  No H/Q in entry =           7
  In of MODEL    6
    1    H    GLY  34           H        GLY  34  -0.628   2.701   4.665
    2    HA2  GLY  34           HA3      GLY  34   0.228   4.988   5.964
    3    HA3  GLY  34           HXT      GLY  34   0.854   4.437   4.418

  No H/Q in entry =           3
  In of MODEL    6
    1    H    ARG  35           H        ARG  35   1.895   1.937   5.604
    2    HB2  ARG  35           HG2      ARG  35   2.676   1.281   8.248
    3    HB3  ARG  35           HG3      ARG  35   3.293   0.153   7.049
    4    HG2  ARG  35           HD2      ARG  35   5.397   0.113   7.965
    5    HD2  ARG  35           HD3      ARG  35   3.285   0.362  10.009
    6    HG3  ARG  35           HD3      ARG  35   5.220   1.705   8.708
    7    HE   ARG  35          HH12      ARG  35   5.843   1.219  10.728
    8   HH11  ARG  35          HH21      ARG  35   3.467  -1.126  11.744
    9   HH12  ARG  35          HH22      ARG  35   3.971  -1.105  13.401
   10    HD3  ARG  35           HXT      ARG  35   4.412  -0.958   9.696
   11   HH21  ARG  35           HXT      ARG  35   6.508   1.248  12.906
   12   HH22  ARG  35           H1       ARG  35   5.697   0.243  14.061
   13    HA   ARG  35           HB1      ARG  35   4.127   3.051   7.169

  No H/Q in entry =          13
  In of MODEL    6
    1    H    SER  36           H        SER  36   3.243   1.049   4.431
    2    HG   SER  36           HXT      SER  36   6.825  -0.155   4.889
    3    HA   SER  36           HB1      SER  36   5.936   1.379   3.362
    4    HB2  SER  36           HG2      SER  36   4.596  -1.327   3.600
    5    HB3  SER  36           HG3      SER  36   6.114  -1.004   2.761

  No H/Q in entry =           5
  In of MODEL    6
    1    H    CYS  37           H        CYS  37   5.993   0.418   1.048
    2    HA   CYS  37           HB1      CYS  37   3.616   1.426  -0.323
    3    HB2  CYS  37           HG2      CYS  37   6.239   0.658  -1.595
    4    HB3  CYS  37           HG3      CYS  37   4.981   1.697  -2.253

  No H/Q in entry =           4
  In of MODEL    6
    1    H    GLU  38           H        GLU  38   4.290  -1.414   0.897
    2    HB2  GLU  38           HG2      GLU  38   5.286  -3.655   0.705
    3    HB3  GLU  38           HG3      GLU  38   4.362  -4.911  -0.105
    4    HA   GLU  38           HB1      GLU  38   3.347  -2.915  -1.457
    5    HG2  GLU  38           HD2      GLU  38   5.640  -3.019  -1.926
    6    HG3  GLU  38           HD3      GLU  38   6.768  -3.936  -0.928

  No H/Q in entry =           6
  In of MODEL    6
    1    H    CYS  39           H        CYS  39   1.382  -3.755  -1.286
    2    HA   CYS  39           HB1      CYS  39  -0.254  -3.418   0.955
    3    HB2  CYS  39           HG2      CYS  39  -0.665  -5.493  -1.199
    4    HB3  CYS  39           HG3      CYS  39  -1.897  -4.708  -0.217

  No H/Q in entry =           4
  In of MODEL    6
    1    HB2  PRO  40           HG2      PRO  40  -0.908  -6.044   5.058
    2    HB3  PRO  40           HG3      PRO  40   0.758  -6.169   5.634
    3    HG2  PRO  40           HD2      PRO  40  -0.397  -3.791   5.343
    4    HD2  PRO  40           HD3      PRO  40  -1.080  -3.781   3.140
    5    HG3  PRO  40           HD3      PRO  40   1.307  -4.033   4.913
    6    HD3  PRO  40           HXT      PRO  40   0.580  -3.205   2.889
    7    HA   PRO  40           HB1      PRO  40   1.585  -6.645   3.538

  No H/Q in entry =           7
  In of MODEL    6
    1    H    SER  41           H        SER  41   0.989  -8.773   4.180
    2    HG   SER  41           HXT      SER  41   0.338 -10.276   5.763
    3    HA   SER  41           HB1      SER  41  -0.609 -10.164   2.350
    4    HB2  SER  41           HG2      SER  41  -0.186 -12.118   3.677
    5    HB3  SER  41           HG3      SER  41   1.268 -11.122   3.739

  No H/Q in entry =           5
  In of MODEL    6
    1    H    TYR  42           H        TYR  42  -1.335  -8.791   5.487
    2    HD1  TYR  42           HD2      TYR  42  -0.558  -9.289   7.514
    3    HD2  TYR  42           HE1      TYR  42  -3.980  -6.934   8.432
    4    HE1  TYR  42           HE2      TYR  42   0.893  -7.592   8.543
    5    HE2  TYR  42           HH       TYR  42  -2.538  -5.229   9.462
    6    HH   TYR  42           HXT      TYR  42  -0.060  -4.513   9.203
    7    HA   TYR  42           HB1      TYR  42  -4.047  -9.908   5.378
    8    HB2  TYR  42           HG2      TYR  42  -4.236  -9.205   7.726
    9    HB3  TYR  42           HG3      TYR  42  -2.839 -10.248   7.481

  No H/Q in entry =           9
  In of MODEL    6
    1    HB2  PRO  43           HG2      PRO  43  -7.835  -6.572   6.395
    2    HB3  PRO  43           HG3      PRO  43  -8.233  -6.349   4.687
    3    HG2  PRO  43           HD2      PRO  43  -8.424  -8.749   5.820
    4    HD2  PRO  43           HD3      PRO  43  -6.318  -9.116   6.686
    5    HG3  PRO  43           HD3      PRO  43  -7.816  -8.570   4.163
    6    HD3  PRO  43           HXT      PRO  43  -6.016  -9.712   5.042
    7    HA   PRO  43           HB1      PRO  43  -6.024  -6.207   4.054

  No H/Q in entry =           7
  In of MODEL    6
    1    H    GLY  44           H        GLY  44  -7.055  -4.126   5.137
    2    HA2  GLY  44           HA3      GLY  44  -5.258  -2.431   6.061
    3    HA3  GLY  44           HXT      GLY  44  -5.584  -3.330   7.535

  No H/Q in entry =           3
  In of MODEL    7
    1    H1   ALA   1           H1       ALA   1  11.332  11.859   8.289
    2    H2   ALA   1           H2       ALA   1  10.530  10.436   8.817
    3    H3   ALA   1           H3       ALA   1  12.196  10.384   8.409
    4    HA   ALA   1           HB1      ALA   1  10.927   9.427   6.684
    5    HB1  ALA   1           HB2      ALA   1   9.021  10.291   5.839
    6    HB2  ALA   1           HB3      ALA   1   8.961  11.112   7.399
    7    HB3  ALA   1           HXT      ALA   1   9.583  11.957   5.981

  No H/Q in entry =           7
  In of MODEL    7
    1    H    MET   2           H        MET   2  12.516   9.281   5.256
    2    HB2  MET   2           HG2      MET   2  15.374  10.121   5.299
    3    HB3  MET   2           HG3      MET   2  15.664  11.421   4.151
    4    HE1  MET   2           HE2      MET   2  16.992  12.988   4.356
    5    HE2  MET   2           HE3      MET   2  16.322  14.443   5.093
    6    HE3  MET   2           HXT      MET   2  17.977  13.954   5.455
    7    HA   MET   2           HB1      MET   2  13.277  11.580   3.681
    8    HG2  MET   2           HD2      MET   2  14.257  12.894   5.608
    9    HG3  MET   2           HD3      MET   2  14.251  11.593   6.797

  No H/Q in entry =           9
  In of MODEL    7
    1    H    ASP   3           H        ASP   3  12.002   9.013   3.227
    2    HA   ASP   3           HB1      ASP   3  13.765   8.069   1.102
    3    HB2  ASP   3           HG2      ASP   3  12.831   6.444   3.421
    4    HB3  ASP   3           HG3      ASP   3  12.887   5.669   1.841

  No H/Q in entry =           4
  In of MODEL    7
    1    H    CYS   4           H        CYS   4  12.702   7.359  -0.704
    2    HA   CYS   4           HB1      CYS   4   9.874   7.974  -0.834
    3    HB2  CYS   4           HG2      CYS   4  11.953   7.264  -2.894
    4    HB3  CYS   4           HG3      CYS   4  10.244   7.361  -3.302

  No H/Q in entry =           4
  In of MODEL    7
    1    H    THR   5           H        THR   5  11.963   5.169  -0.916
    2    HG1  THR   5          HG21      THR   5  10.878   3.885   1.620
    3   HG21  THR   5          HG22      THR   5  10.777   1.458   0.630
    4   HG22  THR   5          HG23      THR   5   9.427   1.782   1.717
    5   HG23  THR   5           HXT      THR   5   9.121   1.197   0.082
    6    HA   THR   5           HB1      THR   5  11.543   2.935  -0.852
    7    HB   THR   5          HG12      THR   5   8.686   3.445  -0.122

  No H/Q in entry =           7
  In of MODEL    7
    1    H    THR   6           H        THR   6   9.986   1.182  -1.721
    2    HG1  THR   6          HG21      THR   6  11.689  -0.470  -4.424
    3   HG21  THR   6          HG22      THR   6   9.896   2.497  -5.788
    4   HG22  THR   6          HG23      THR   6  11.511   2.315  -5.102
    5   HG23  THR   6           HXT      THR   6  11.017   1.320  -6.472
    6    HA   THR   6           HB1      THR   6   8.567   2.082  -4.116
    7    HB   THR   6          HG12      THR   6   9.726  -0.054  -5.199

  No H/Q in entry =           7
  In of MODEL    7
    1    H    GLY   7           H        GLY   7   6.842   0.817  -4.700
    2    HA2  GLY   7           HA3      GLY   7   5.855  -0.990  -2.690
    3    HA3  GLY   7           HXT      GLY   7   6.306  -1.805  -4.180

  No H/Q in entry =           3
  In of MODEL    7
    1    HB2  PRO   8           HG2      PRO   8   0.846  -2.708  -5.330
    2    HB3  PRO   8           HG3      PRO   8   2.165  -2.932  -6.485
    3    HG2  PRO   8           HD2      PRO   8   2.077  -3.577  -3.563
    4    HD2  PRO   8           HD3      PRO   8   4.298  -3.055  -3.258
    5    HG3  PRO   8           HD3      PRO   8   2.730  -4.540  -4.901
    6    HD3  PRO   8           HXT      PRO   8   4.700  -3.348  -4.962
    7    HA   PRO   8           HB1      PRO   8   2.490  -0.691  -6.077

  No H/Q in entry =           7
  In of MODEL    7
    1    H    CYS   9           H        CYS   9   2.688   1.044  -4.141
    2    HA   CYS   9           HB1      CYS   9   0.062   1.572  -3.317
    3    HB2  CYS   9           HG2      CYS   9   0.997  -0.347  -1.710
    4    HB3  CYS   9           HG3      CYS   9   1.672   1.045  -0.870

  No H/Q in entry =           4
  In of MODEL    7
    1    H    CYS  10           H        CYS  10   2.203   2.933  -4.566
    2    HA   CYS  10           HB1      CYS  10   2.117   5.393  -3.165
    3    HB2  CYS  10           HG2      CYS  10   4.635   5.587  -2.867
    4    HB3  CYS  10           HG3      CYS  10   3.797   4.546  -1.721

  No H/Q in entry =           4
  In of MODEL    7
    1    H    ARG  11           H        ARG  11   3.105   7.133  -4.347
    2    HB2  ARG  11           HG2      ARG  11   2.076   8.585  -5.806
    3    HB3  ARG  11           HG3      ARG  11   3.583   9.337  -6.310
    4    HG2  ARG  11           HD2      ARG  11   1.514   8.077  -8.096
    5    HD2  ARG  11           HD3      ARG  11   3.057   9.321  -9.823
    6    HG3  ARG  11           HD3      ARG  11   1.866   9.798  -7.927
    7    HE   ARG  11          HH12      ARG  11   4.261   6.806  -9.127
    8   HH11  ARG  11          HH21      ARG  11   1.462   8.346 -10.532
    9   HH12  ARG  11          HH22      ARG  11   1.010   6.958 -11.463
   10    HD3  ARG  11           HXT      ARG  11   4.290   9.035  -8.596
   11   HH21  ARG  11           HXT      ARG  11   3.668   4.979 -10.351
   12   HH22  ARG  11           H1       ARG  11   2.261   5.046 -11.360
   13    HA   ARG  11           HB1      ARG  11   3.245   6.548  -7.196

  No H/Q in entry =          13
  In of MODEL    7
    1    H    GLN  12           H        GLN  12   5.408   5.459  -6.113
    2    HB2  GLN  12           HG2      GLN  12   7.595   8.062  -7.682
    3    HB3  GLN  12           HG3      GLN  12   8.774   6.784  -7.937
    4   HE21  GLN  12          HE22      GLN  12   7.627   8.138 -10.754
    5   HE22  GLN  12           HXT      GLN  12   8.603   7.138 -11.770
    6    HA   GLN  12           HB1      GLN  12   7.662   5.323  -6.434
    7    HG2  GLN  12           HD2      GLN  12   6.437   5.587  -8.705
    8    HG3  GLN  12           HD3      GLN  12   6.206   7.254  -9.230

  No H/Q in entry =           8
  In of MODEL    7
    1    H    CYS  13           H        CYS  13   6.163   7.259  -4.363
    2    HA   CYS  13           HB1      CYS  13   8.364   7.593  -2.661
    3    HB2  CYS  13           HG2      CYS  13   8.763   9.396  -4.471
    4    HB3  CYS  13           HG3      CYS  13   7.421  10.248  -3.716

  No H/Q in entry =           4
  In of MODEL    7
    1    H    LYS  14           H        LYS  14   5.322   9.209  -3.567
    2    HB2  LYS  14           HG2      LYS  14   3.419  10.295  -3.457
    3    HB3  LYS  14           HG3      LYS  14   2.325  10.206  -2.083
    4    HG2  LYS  14           HG3      LYS  14   3.654  11.856  -0.893
    5    HG3  LYS  14           HD2      LYS  14   4.794  11.923  -2.239
    6    HD2  LYS  14           HD3      LYS  14   3.422  13.194  -3.506
    7    HE2  LYS  14           HE3      LYS  14   2.479  13.595  -0.700
    8    HE3  LYS  14           HZ1      LYS  14   3.445  14.661  -1.719
    9    HZ1  LYS  14           HZ2      LYS  14   1.215  14.620  -3.121
   10    HZ2  LYS  14           HZ3      LYS  14   0.551  14.333  -1.591
   11    HD3  LYS  14           HXT      LYS  14   1.968  12.368  -2.942
   12    HZ3  LYS  14           HXT      LYS  14   1.471  15.725  -1.866
   13    HA   LYS  14           HB1      LYS  14   4.586   9.600  -0.807

  No H/Q in entry =          13
  In of MODEL    7
    1    H    LEU  15           H        LEU  15   3.612   8.148   0.430
    2   HD11  LEU  15          HD12      LEU  15   3.416   5.086   3.823
    3   HD12  LEU  15          HD13      LEU  15   3.430   6.674   4.591
    4   HD13  LEU  15          HD21      LEU  15   1.929   6.029   3.925
    5   HD21  LEU  15          HD22      LEU  15   5.133   7.081   1.382
    6   HD22  LEU  15          HD23      LEU  15   4.868   8.173   2.742
    7   HD23  LEU  15           HXT      LEU  15   5.365   6.505   3.033
    8    HG   LEU  15           HXT      LEU  15   2.706   7.613   2.359
    9    HA   LEU  15           HB1      LEU  15   2.511   5.740  -0.777
   10    HB2  LEU  15           HG2      LEU  15   2.273   5.046   1.660
   11    HB3  LEU  15           HG3      LEU  15   3.901   5.247   1.040

  No H/Q in entry =          11
  In of MODEL    7
    1    H    LYS  16           H        LYS  16   0.400   5.100  -0.663
    2    HB2  LYS  16           HG2      LYS  16  -1.688   4.041  -0.418
    3    HB3  LYS  16           HG3      LYS  16  -3.154   5.010  -0.389
    4    HG2  LYS  16           HG3      LYS  16  -3.018   5.534  -2.583
    5    HG3  LYS  16           HD2      LYS  16  -1.253   5.560  -2.581
    6    HD2  LYS  16           HD3      LYS  16  -1.354   3.039  -2.346
    7    HE2  LYS  16           HE3      LYS  16  -1.275   4.581  -4.557
    8    HE3  LYS  16           HZ1      LYS  16  -1.165   2.821  -4.578
    9    HZ1  LYS  16           HZ2      LYS  16  -3.776   4.192  -4.747
   10    HZ2  LYS  16           HZ3      LYS  16  -2.835   3.931  -6.128
   11    HD3  LYS  16           HXT      LYS  16  -3.078   3.169  -2.703
   12    HZ3  LYS  16           HXT      LYS  16  -3.378   2.615  -5.212
   13    HA   LYS  16           HB1      LYS  16  -1.602   7.045  -0.591

  No H/Q in entry =          13
  In of MODEL    7
    1    HB2  PRO  17           HG2      PRO  17  -5.508   7.027   2.860
    2    HB3  PRO  17           HG3      PRO  17  -4.916   8.510   3.616
    3    HG2  PRO  17           HD2      PRO  17  -5.648   8.489   1.056
    4    HD2  PRO  17           HD3      PRO  17  -4.337   6.829   0.134
    5    HG3  PRO  17           HD3      PRO  17  -4.245   9.430   1.596
    6    HD3  PRO  17           HXT      PRO  17  -3.191   8.175  -0.026
    7    HA   PRO  17           HB1      PRO  17  -2.728   7.806   3.589

  No H/Q in entry =           7
  In of MODEL    7
    1    H    ALA  18           H        ALA  18  -3.000   6.729   5.501
    2    HA   ALA  18           HB1      ALA  18  -2.634   3.967   5.587
    3    HB1  ALA  18           HB2      ALA  18  -2.296   5.850   7.393
    4    HB2  ALA  18           HB3      ALA  18  -3.903   5.336   7.905
    5    HB3  ALA  18           HXT      ALA  18  -2.577   4.175   7.866

  No H/Q in entry =           5
  In of MODEL    7
    1    H    GLY  19           H        GLY  19  -4.044   2.532   4.803
    2    HA2  GLY  19           HA3      GLY  19  -6.859   2.776   5.666
    3    HA3  GLY  19           HXT      GLY  19  -6.029   1.244   5.438

  No H/Q in entry =           3
  In of MODEL    7
    1    H    THR  20           H        THR  20  -4.739   2.403   2.951
    2    HG1  THR  20          HG21      THR  20  -6.883   4.659   1.232
    3   HG21  THR  20          HG22      THR  20  -6.229   2.610  -1.217
    4   HG22  THR  20          HG23      THR  20  -6.543   4.339  -1.072
    5   HG23  THR  20           HXT      THR  20  -4.928   3.769  -1.490
    6    HA   THR  20           HB1      THR  20  -7.095   2.280   1.188
    7    HB   THR  20          HG12      THR  20  -4.376   3.485   0.635

  No H/Q in entry =           7
  In of MODEL    7
    1    H    THR  21           H        THR  21  -7.349   0.354   0.289
    2    HG1  THR  21          HG21      THR  21  -6.508  -3.656  -1.274
    3   HG21  THR  21          HG22      THR  21  -7.999  -0.022  -1.560
    4   HG22  THR  21          HG23      THR  21  -8.503  -1.404  -2.532
    5   HG23  THR  21           HXT      THR  21  -9.250  -1.110  -0.962
    6    HA   THR  21           HB1      THR  21  -5.452  -1.692   0.239
    7    HB   THR  21          HG12      THR  21  -7.707  -2.335   0.026

  No H/Q in entry =           7
  In of MODEL    7
    1    H    CYS  22           H        CYS  22  -4.652  -2.788  -1.780
    2    HA   CYS  22           HB1      CYS  22  -3.903  -0.870  -3.872
    3    HB2  CYS  22           HG2      CYS  22  -1.598  -2.002  -3.843
    4    HB3  CYS  22           HG3      CYS  22  -1.951  -0.850  -2.560

  No H/Q in entry =           4
  In of MODEL    7
    1    H    TRP  23           H        TRP  23  -3.895  -4.277  -2.868
    2    HE1  TRP  23           HE3      TRP  23  -1.547  -8.440  -7.600
    3    HE3  TRP  23           HZ2      TRP  23  -4.004  -9.552  -2.984
    4    HZ2  TRP  23           HZ3      TRP  23  -1.619 -11.205  -7.038
    5    HZ3  TRP  23           HH2      TRP  23  -3.602 -11.954  -3.336
    6    HH2  TRP  23           HXT      TRP  23  -2.434 -12.762  -5.322
    7    HA   TRP  23           HB1      TRP  23  -3.779  -5.194  -5.606
    8    HB2  TRP  23           HG2      TRP  23  -2.944  -6.299  -3.279
    9    HB3  TRP  23           HG3      TRP  23  -4.498  -7.107  -3.466
   10    HD1  TRP  23           HD2      TRP  23  -2.339  -6.246  -6.511

  No H/Q in entry =          10
  In of MODEL    7
    1    H    LYS  24           H        LYS  24  -5.428  -5.960  -6.826
    2    HB2  LYS  24           HG2      LYS  24  -8.973  -5.113  -7.772
    3    HB3  LYS  24           HG3      LYS  24  -8.207  -4.025  -6.622
    4    HG2  LYS  24           HG3      LYS  24  -6.124  -4.150  -7.937
    5    HG3  LYS  24           HD2      LYS  24  -6.962  -5.161  -9.117
    6    HD2  LYS  24           HD3      LYS  24  -7.006  -2.947  -9.969
    7    HE2  LYS  24           HE3      LYS  24  -7.483  -2.238  -7.153
    8    HE3  LYS  24           HZ1      LYS  24  -6.612  -1.364  -8.413
    9    HZ1  LYS  24           HZ2      LYS  24  -9.073  -1.104  -9.319
   10    HZ2  LYS  24           HZ3      LYS  24  -9.429  -1.239  -7.671
   11    HD3  LYS  24           HXT      LYS  24  -8.630  -3.286  -9.366
   12    HZ3  LYS  24           HXT      LYS  24  -8.397  -0.014  -8.216
   13    HA   LYS  24           HB1      LYS  24  -8.092  -6.139  -5.600

  No H/Q in entry =          13
  In of MODEL    7
    1    H    THR  25           H        THR  25  -7.413  -8.443  -5.695
    2    HG1  THR  25          HG21      THR  25  -5.992  -9.925  -5.119
    3   HG21  THR  25          HG22      THR  25  -6.239 -11.373  -8.631
    4   HG22  THR  25          HG23      THR  25  -5.249 -12.063  -7.345
    5   HG23  THR  25           HXT      THR  25  -6.871 -12.690  -7.643
    6    HA   THR  25           HB1      THR  25  -7.431  -9.633  -8.354
    7    HB   THR  25          HG12      THR  25  -7.394 -11.340  -5.924

  No H/Q in entry =           7
  In of MODEL    7
    1    H    SER  26           H        SER  26  -9.741  -8.663  -8.392
    2    HG   SER  26           HXT      SER  26 -10.644 -11.353  -9.939
    3    HA   SER  26           HB1      SER  26 -11.922  -9.215  -8.785
    4    HB2  SER  26           HG2      SER  26 -11.722 -11.830  -7.357
    5    HB3  SER  26           HG3      SER  26 -12.628 -11.413  -8.811

  No H/Q in entry =           5
  In of MODEL    7
    1    H    VAL  27           H        VAL  27 -10.911 -10.563  -5.662
    2    HB   VAL  27          HG12      VAL  27 -13.882 -11.053  -4.516
    3   HG11  VAL  27          HG12      VAL  27 -11.756 -12.322  -4.566
    4   HG12  VAL  27          HG13      VAL  27 -11.562 -12.005  -2.842
    5   HG13  VAL  27          HG21      VAL  27 -12.924 -12.968  -3.414
    6   HG21  VAL  27          HG22      VAL  27 -13.060 -10.126  -1.773
    7   HG22  VAL  27          HG23      VAL  27 -14.559  -9.781  -2.636
    8   HG23  VAL  27           HXT      VAL  27 -14.239 -11.410  -2.041
    9    HA   VAL  27           HB1      VAL  27 -12.873  -8.821  -4.353

  No H/Q in entry =           9
  In of MODEL    7
    1    H    SER  28           H        SER  28 -10.072 -10.938  -3.949
    2    HG   SER  28           HXT      SER  28  -8.660 -12.405  -1.269
    3    HA   SER  28           HB1      SER  28  -9.365 -10.163  -1.355
    4    HB2  SER  28           HG2      SER  28  -7.694 -11.199  -3.650
    5    HB3  SER  28           HG3      SER  28  -7.047 -10.938  -2.030

  No H/Q in entry =           5
  In of MODEL    7
    1    H    SER  29           H        SER  29  -7.909  -8.648  -0.556
    2    HG   SER  29           HXT      SER  29  -9.780  -5.631  -2.727
    3    HA   SER  29           HB1      SER  29  -6.550  -6.798  -2.270
    4    HB2  SER  29           HG2      SER  29  -8.443  -5.336  -0.528
    5    HB3  SER  29           HG3      SER  29  -7.876  -4.952  -2.153

  No H/Q in entry =           5
  In of MODEL    7
    1    H    HIS  30           H        HIS  30  -4.998  -5.607  -1.187
    2    HD1  HIS  30           HD2      HIS  30  -1.092  -8.006   1.310
    3    HD2  HIS  30           HE1      HIS  30  -4.191  -7.942  -1.458
    4    HE1  HIS  30           HE2      HIS  30  -1.175 -10.325   0.339
    5    HE2  HIS  30           HXT      HIS  30  -3.000 -10.237  -1.395
    6    HA   HIS  30           HB1      HIS  30  -4.646  -6.324   1.643
    7    HB2  HIS  30           HG2      HIS  30  -2.596  -5.428  -0.394
    8    HB3  HIS  30           HG3      HIS  30  -2.251  -5.828   1.285

  No H/Q in entry =           8
  In of MODEL    7
    1    H    TYR  31           H        TYR  31  -5.371  -4.770   2.943
    2    HD1  TYR  31           HD2      TYR  31  -7.640  -3.779   2.084
    3    HD2  TYR  31           HE1      TYR  31  -7.887  -0.756   5.067
    4    HE1  TYR  31           HE2      TYR  31  -9.912  -3.224   1.324
    5    HE2  TYR  31           HH       TYR  31 -10.160  -0.192   4.316
    6    HH   TYR  31           HXT      TYR  31 -11.406  -0.625   1.736
    7    HA   TYR  31           HB1      TYR  31  -5.518  -2.026   2.166
    8    HB2  TYR  31           HG2      TYR  31  -6.241  -3.628   4.551
    9    HB3  TYR  31           HG3      TYR  31  -5.913  -1.922   4.834

  No H/Q in entry =           9
  In of MODEL    7
    1    H    CYS  32           H        CYS  32  -3.860  -0.671   2.108
    2    HA   CYS  32           HB1      CYS  32  -1.372  -1.247   3.398
    3    HB2  CYS  32           HG2      CYS  32  -2.412   1.014   1.722
    4    HB3  CYS  32           HG3      CYS  32  -0.885   1.186   2.578

  No H/Q in entry =           4
  In of MODEL    7
    1    H    THR  33           H        THR  33  -0.367  -0.120   5.078
    2    HG1  THR  33          HG21      THR  33   1.405   0.384   8.096
    3   HG21  THR  33          HG22      THR  33  -2.126  -1.147   7.500
    4   HG22  THR  33          HG23      THR  33  -0.528  -1.883   7.386
    5   HG23  THR  33           HXT      THR  33  -1.155  -1.376   8.954
    6    HA   THR  33           HB1      THR  33  -2.240   1.194   6.908
    7    HB   THR  33          HG12      THR  33  -0.567   0.753   8.645

  No H/Q in entry =           7
  In of MODEL    7
    1    H    GLY  34           H        GLY  34  -0.717   2.392   4.515
    2    HA2  GLY  34           HA3      GLY  34  -0.457   4.980   5.396
    3    HA3  GLY  34           HXT      GLY  34   0.400   4.336   4.004

  No H/Q in entry =           3
  In of MODEL    7
    1    H    ARG  35           H        ARG  35   1.925   2.412   5.594
    2    HB2  ARG  35           HG2      ARG  35   2.531   2.036   8.068
    3    HB3  ARG  35           HG3      ARG  35   4.001   1.329   7.410
    4    HG2  ARG  35           HD2      ARG  35   5.078   3.396   8.712
    5    HD2  ARG  35           HD3      ARG  35   4.243   0.981  10.280
    6    HG3  ARG  35           HD3      ARG  35   3.632   3.160   9.697
    7    HE   ARG  35          HH12      ARG  35   6.408   2.853  10.484
    8   HH11  ARG  35          HH21      ARG  35   5.391  -0.413  11.175
    9   HH12  ARG  35          HH22      ARG  35   6.515  -0.621  12.475
   10    HD3  ARG  35           HXT      ARG  35   5.402   0.856   8.957
   11   HH21  ARG  35           HXT      ARG  35   7.888   2.581  12.193
   12   HH22  ARG  35           H1       ARG  35   7.933   1.078  13.054
   13    HA   ARG  35           HB1      ARG  35   3.677   4.258   7.076

  No H/Q in entry =          13
  In of MODEL    7
    1    H    SER  36           H        SER  36   3.542   1.760   4.620
    2    HG   SER  36           HXT      SER  36   7.120   1.248   5.750
    3    HA   SER  36           HB1      SER  36   6.133   2.643   3.623
    4    HB2  SER  36           HG2      SER  36   5.588  -0.042   4.770
    5    HB3  SER  36           HG3      SER  36   6.524   0.005   3.276

  No H/Q in entry =           5
  In of MODEL    7
    1    H    CYS  37           H        CYS  37   6.623   1.435   1.490
    2    HA   CYS  37           HB1      CYS  37   4.366   1.835  -0.228
    3    HB2  CYS  37           HG2      CYS  37   7.246   1.136  -0.611
    4    HB3  CYS  37           HG3      CYS  37   6.124   0.835  -1.933

  No H/Q in entry =           4
  In of MODEL    7
    1    H    GLU  38           H        GLU  38   5.985  -0.917   1.182
    2    HB2  GLU  38           HG2      GLU  38   5.487  -3.131   2.499
    3    HB3  GLU  38           HG3      GLU  38   5.500  -4.465   1.354
    4    HA   GLU  38           HB1      GLU  38   5.052  -2.951  -0.486
    5    HG2  GLU  38           HD2      GLU  38   7.441  -3.233   0.231
    6    HG3  GLU  38           HD3      GLU  38   7.521  -2.287   1.717

  No H/Q in entry =           6
  In of MODEL    7
    1    H    CYS  39           H        CYS  39   3.368  -4.542  -0.064
    2    HA   CYS  39           HB1      CYS  39   0.989  -3.305   1.159
    3    HB2  CYS  39           HG2      CYS  39   1.324  -5.031  -1.273
    4    HB3  CYS  39           HG3      CYS  39  -0.216  -4.991  -0.422

  No H/Q in entry =           4
  In of MODEL    7
    1    HB2  PRO  40           HG2      PRO  40  -0.112  -5.313   5.459
    2    HB3  PRO  40           HG3      PRO  40   1.413  -5.975   6.058
    3    HG2  PRO  40           HD2      PRO  40   1.144  -3.361   5.641
    4    HD2  PRO  40           HD3      PRO  40   0.501  -3.218   3.432
    5    HG3  PRO  40           HD3      PRO  40   2.659  -4.195   5.246
    6    HD3  PRO  40           HXT      PRO  40   2.257  -3.273   3.173
    7    HA   PRO  40           HB1      PRO  40   2.017  -6.804   3.996

  No H/Q in entry =           7
  In of MODEL    7
    1    H    SER  41           H        SER  41   0.450  -8.309   5.161
    2    HG   SER  41           HXT      SER  41   0.724 -11.051   3.436
    3    HA   SER  41           HB1      SER  41  -1.712  -8.970   3.301
    4    HB2  SER  41           HG2      SER  41  -0.119 -10.553   5.295
    5    HB3  SER  41           HG3      SER  41  -1.681 -11.152   4.735

  No H/Q in entry =           5
  In of MODEL    7
    1    H    TYR  42           H        TYR  42  -2.099  -6.811   5.114
    2    HD1  TYR  42           HD2      TYR  42  -0.516  -5.837   8.243
    3    HD2  TYR  42           HE1      TYR  42  -4.176  -7.686   9.376
    4    HE1  TYR  42           HE2      TYR  42   0.611  -6.874  10.166
    5    HE2  TYR  42           HH       TYR  42  -3.060  -8.728  11.304
    6    HH   TYR  42           HXT      TYR  42   0.088  -7.821  12.316
    7    HA   TYR  42           HB1      TYR  42  -4.027  -7.930   7.032
    8    HB2  TYR  42           HG2      TYR  42  -2.395  -5.422   6.986
    9    HB3  TYR  42           HG3      TYR  42  -3.919  -5.432   7.866

  No H/Q in entry =           9
  In of MODEL    7
    1    HB2  PRO  43           HG2      PRO  43  -8.577  -8.052   3.814
    2    HB3  PRO  43           HG3      PRO  43  -7.113  -8.226   2.839
    3    HG2  PRO  43           HD2      PRO  43  -7.719  -9.321   5.559
    4    HD2  PRO  43           HD3      PRO  43  -5.535  -9.105   6.263
    5    HG3  PRO  43           HD3      PRO  43  -6.937 -10.118   4.181
    6    HD3  PRO  43           HXT      PRO  43  -4.898  -9.131   4.607
    7    HA   PRO  43           HB1      PRO  43  -6.663  -6.133   3.675

  No H/Q in entry =           7
  In of MODEL    7
    1    H    GLY  44           H        GLY  44  -7.339  -7.265   6.922
    2    HA2  GLY  44           HA3      GLY  44  -9.724  -5.546   7.044
    3    HA3  GLY  44           HXT      GLY  44  -8.417  -5.289   8.190

  No H/Q in entry =           3
  In of MODEL    8
    1    H1   ALA   1           H1       ALA   1  13.744   3.847   6.183
    2    H2   ALA   1           H2       ALA   1  15.239   3.088   5.814
    3    H3   ALA   1           H3       ALA   1  15.182   4.778   6.113
    4    HA   ALA   1           HB1      ALA   1  15.357   4.582   3.851
    5    HB1  ALA   1           HB2      ALA   1  13.579   2.248   4.264
    6    HB2  ALA   1           HB3      ALA   1  13.440   3.117   2.736
    7    HB3  ALA   1           HXT      ALA   1  14.990   2.430   3.222

  No H/Q in entry =           7
  In of MODEL    8
    1    H    MET   2           H        MET   2  14.618   6.725   4.460
    2    HB2  MET   2           HG2      MET   2  12.949   8.008   6.140
    3    HB3  MET   2           HG3      MET   2  13.673   9.214   5.085
    4    HE1  MET   2           HE2      MET   2   9.695  10.869   6.733
    5    HE2  MET   2           HE3      MET   2  10.790  10.858   8.115
    6    HE3  MET   2           HXT      MET   2  10.413  12.377   7.302
    7    HA   MET   2           HB1      MET   2  11.743   7.161   4.029
    8    HG2  MET   2           HD2      MET   2  11.126   9.574   4.414
    9    HG3  MET   2           HD3      MET   2  10.889   8.952   6.045

  No H/Q in entry =           9
  In of MODEL    8
    1    H    ASP   3           H        ASP   3  13.521   6.633   1.848
    2    HA   ASP   3           HB1      ASP   3  14.077   9.167   0.571
    3    HB2  ASP   3           HG2      ASP   3  14.210   6.411  -0.660
    4    HB3  ASP   3           HG3      ASP   3  15.009   7.875  -1.224

  No H/Q in entry =           4
  In of MODEL    8
    1    H    CYS   4           H        CYS   4  12.169   6.327  -0.444
    2    HA   CYS   4           HB1      CYS   4   9.921   7.973  -1.153
    3    HB2  CYS   4           HG2      CYS   4  11.771   6.888  -3.237
    4    HB3  CYS   4           HG3      CYS   4  10.045   6.948  -3.578

  No H/Q in entry =           4
  In of MODEL    8
    1    H    THR   5           H        THR   5  11.488   4.824  -1.481
    2    HG1  THR   5          HG21      THR   5   7.649   3.804   1.132
    3   HG21  THR   5          HG22      THR   5  10.438   4.905   1.027
    4   HG22  THR   5          HG23      THR   5   9.564   3.954   2.228
    5   HG23  THR   5           HXT      THR   5  11.022   3.304   1.480
    6    HA   THR   5           HB1      THR   5  10.719   2.695  -1.273
    7    HB   THR   5          HG12      THR   5   9.181   2.242   0.445

  No H/Q in entry =           7
  In of MODEL    8
    1    H    THR   6           H        THR   6  10.075   1.820  -3.127
    2    HG1  THR   6          HG21      THR   6  10.599   0.650  -4.660
    3   HG21  THR   6          HG22      THR   6   9.379   3.551  -6.096
    4   HG22  THR   6          HG23      THR   6  10.782   2.782  -5.355
    5   HG23  THR   6           HXT      THR   6  10.323   2.372  -7.008
    6    HA   THR   6           HB1      THR   6   7.683   2.786  -4.468
    7    HB   THR   6          HG12      THR   6   8.366   1.267  -6.289

  No H/Q in entry =           7
  In of MODEL    8
    1    H    GLY   7           H        GLY   7   5.847   1.579  -4.869
    2    HA2  GLY   7           HA3      GLY   7   5.179  -0.378  -2.902
    3    HA3  GLY   7           HXT      GLY   7   5.438  -1.120  -4.474

  No H/Q in entry =           3
  In of MODEL    8
    1    HB2  PRO   8           HG2      PRO   8   0.250  -1.758  -3.324
    2    HB3  PRO   8           HG3      PRO   8  -0.072  -2.080  -5.031
    3    HG2  PRO   8           HD2      PRO   8   1.522  -3.682  -3.622
    4    HD2  PRO   8           HD3      PRO   8   3.133  -2.242  -2.805
    5    HG3  PRO   8           HD3      PRO   8   1.888  -3.286  -5.312
    6    HD3  PRO   8           HXT      PRO   8   3.884  -2.610  -4.372
    7    HA   PRO   8           HB1      PRO   8   1.296  -0.379  -5.744

  No H/Q in entry =           7
  In of MODEL    8
    1    H    CYS   9           H        CYS   9   2.040   0.306  -2.386
    2    HA   CYS   9           HB1      CYS   9  -0.257   1.991  -1.982
    3    HB2  CYS   9           HG2      CYS   9   0.856   0.721  -0.141
    4    HB3  CYS   9           HG3      CYS   9   2.250   1.784  -0.304

  No H/Q in entry =           4
  In of MODEL    8
    1    H    CYS  10           H        CYS  10   3.060   2.405  -2.982
    2    HA   CYS  10           HB1      CYS  10   2.768   5.322  -2.907
    3    HB2  CYS  10           HG2      CYS  10   5.282   3.841  -3.648
    4    HB3  CYS  10           HG3      CYS  10   5.117   5.482  -3.035

  No H/Q in entry =           4
  In of MODEL    8
    1    H    ARG  11           H        ARG  11   2.707   6.552  -4.714
    2    HB2  ARG  11           HG2      ARG  11   0.940   7.150  -6.163
    3    HB3  ARG  11           HG3      ARG  11   2.080   8.093  -7.113
    4    HG2  ARG  11           HD2      ARG  11   1.254   7.350  -9.105
    5    HD2  ARG  11           HD3      ARG  11  -1.282   6.667  -7.745
    6    HG3  ARG  11           HD3      ARG  11   0.706   5.814  -8.432
    7    HE   ARG  11          HH12      ARG  11  -1.180   8.905  -9.526
    8   HH11  ARG  11          HH21      ARG  11  -1.243   5.419  -9.366
    9   HH12  ARG  11          HH22      ARG  11  -1.928   5.234 -10.946
   10    HD3  ARG  11           HXT      ARG  11  -0.606   8.260  -7.410
   11   HH21  ARG  11           HXT      ARG  11  -2.081   8.664 -11.604
   12   HH22  ARG  11           H1       ARG  11  -2.403   7.076 -12.217
   13    HA   ARG  11           HB1      ARG  11   2.376   5.146  -7.246

  No H/Q in entry =          13
  In of MODEL    8
    1    H    GLN  12           H        GLN  12   3.926   8.236  -6.364
    2    HB2  GLN  12           HG2      GLN  12   4.788  10.194  -7.455
    3    HB3  GLN  12           HG3      GLN  12   6.409  10.182  -8.137
    4   HE21  GLN  12          HE22      GLN  12   3.031   8.283 -10.540
    5   HE22  GLN  12           HXT      GLN  12   1.647   9.243 -10.155
    6    HA   GLN  12           HB1      GLN  12   6.049   7.609  -8.306
    7    HG2  GLN  12           HD2      GLN  12   5.386  10.381 -10.102
    8    HG3  GLN  12           HD3      GLN  12   5.031   8.662  -9.933

  No H/Q in entry =           8
  In of MODEL    8
    1    H    CYS  13           H        CYS  13   5.355   8.486  -5.015
    2    HA   CYS  13           HB1      CYS  13   7.871   7.645  -4.078
    3    HB2  CYS  13           HG2      CYS  13   8.683   9.721  -5.073
    4    HB3  CYS  13           HG3      CYS  13   7.476  10.643  -4.183

  No H/Q in entry =           4
  In of MODEL    8
    1    H    LYS  14           H        LYS  14   5.075   9.725  -3.505
    2    HB2  LYS  14           HG2      LYS  14   3.324  10.730  -2.573
    3    HB3  LYS  14           HG3      LYS  14   2.779  10.416  -0.931
    4    HG2  LYS  14           HG3      LYS  14   5.404  11.736  -1.210
    5    HG3  LYS  14           HD2      LYS  14   3.987  12.681  -1.675
    6    HD2  LYS  14           HD3      LYS  14   4.467  13.089   0.648
    7    HE2  LYS  14           HE3      LYS  14   3.949  10.244   1.367
    8    HE3  LYS  14           HZ1      LYS  14   5.566  10.711   0.842
    9    HZ1  LYS  14           HZ2      LYS  14   4.089  12.042   3.045
   10    HZ2  LYS  14           HZ3      LYS  14   5.226  10.810   3.277
   11    HD3  LYS  14           HXT      LYS  14   2.976  12.152   0.530
   12    HZ3  LYS  14           HXT      LYS  14   5.704  12.288   2.608
   13    HA   LYS  14           HB1      LYS  14   5.204   9.425  -0.648

  No H/Q in entry =          13
  In of MODEL    8
    1    H    LEU  15           H        LEU  15   3.560   8.412   0.649
    2   HD11  LEU  15          HD12      LEU  15   2.015   5.773   3.929
    3   HD12  LEU  15          HD13      LEU  15   3.738   5.639   4.277
    4   HD13  LEU  15          HD21      LEU  15   2.852   7.089   4.750
    5   HD21  LEU  15          HD22      LEU  15   5.078   7.303   1.577
    6   HD22  LEU  15          HD23      LEU  15   4.827   8.384   2.948
    7   HD23  LEU  15           HXT      LEU  15   5.314   6.711   3.221
    8    HG   LEU  15           HXT      LEU  15   2.659   7.840   2.553
    9    HA   LEU  15           HB1      LEU  15   2.571   5.951  -0.593
   10    HB2  LEU  15           HG2      LEU  15   2.162   5.313   1.852
   11    HB3  LEU  15           HG3      LEU  15   3.822   5.410   1.296

  No H/Q in entry =          11
  In of MODEL    8
    1    H    LYS  16           H        LYS  16   0.432   5.294  -0.443
    2    HB2  LYS  16           HG2      LYS  16  -1.491   4.323  -0.509
    3    HB3  LYS  16           HG3      LYS  16  -3.008   5.079  -0.040
    4    HG2  LYS  16           HG3      LYS  16  -3.518   5.607  -2.141
    5    HG3  LYS  16           HD2      LYS  16  -1.895   6.215  -2.473
    6    HD2  LYS  16           HD3      LYS  16  -1.359   3.597  -2.396
    7    HE2  LYS  16           HE3      LYS  16  -1.664   3.562  -4.864
    8    HE3  LYS  16           HZ1      LYS  16  -2.503   5.108  -4.739
    9    HZ1  LYS  16           HZ2      LYS  16  -0.239   5.629  -3.419
   10    HZ2  LYS  16           HZ3      LYS  16   0.327   4.520  -4.564
   11    HD3  LYS  16           HXT      LYS  16  -3.046   3.519  -2.906
   12    HZ3  LYS  16           HXT      LYS  16  -0.458   5.932  -5.068
   13    HA   LYS  16           HB1      LYS  16  -1.531   7.277  -0.610

  No H/Q in entry =          13
  In of MODEL    8
    1    HB2  PRO  17           HG2      PRO  17  -5.489   7.893   2.657
    2    HB3  PRO  17           HG3      PRO  17  -4.774   9.349   3.357
    3    HG2  PRO  17           HD2      PRO  17  -5.392   9.248   0.769
    4    HD2  PRO  17           HD3      PRO  17  -4.227   7.406   0.010
    5    HG3  PRO  17           HD3      PRO  17  -3.922  10.069   1.325
    6    HD3  PRO  17           HXT      PRO  17  -2.939   8.614  -0.170
    7    HA   PRO  17           HB1      PRO  17  -2.678   8.417   3.484

  No H/Q in entry =           7
  In of MODEL    8
    1    H    ALA  18           H        ALA  18  -3.215   7.513   5.437
    2    HA   ALA  18           HB1      ALA  18  -3.106   4.744   5.721
    3    HB1  ALA  18           HB2      ALA  18  -2.652   6.596   7.448
    4    HB2  ALA  18           HB3      ALA  18  -4.379   6.500   7.790
    5    HB3  ALA  18           HXT      ALA  18  -3.356   5.081   8.012

  No H/Q in entry =           5
  In of MODEL    8
    1    H    GLY  19           H        GLY  19  -4.562   3.282   5.133
    2    HA2  GLY  19           HA3      GLY  19  -7.402   3.839   5.681
    3    HA3  GLY  19           HXT      GLY  19  -6.688   2.237   5.578

  No H/Q in entry =           3
  In of MODEL    8
    1    H    THR  20           H        THR  20  -5.150   3.255   3.137
    2    HG1  THR  20          HG21      THR  20  -7.158   5.551   1.123
    3   HG21  THR  20          HG22      THR  20  -6.708   3.602  -1.061
    4   HG22  THR  20          HG23      THR  20  -6.321   5.323  -1.102
    5   HG23  THR  20           HXT      THR  20  -5.048   4.127  -1.345
    6    HA   THR  20           HB1      THR  20  -7.387   3.125   1.225
    7    HB   THR  20          HG12      THR  20  -4.631   4.303   0.822

  No H/Q in entry =           7
  In of MODEL    8
    1    H    THR  21           H        THR  21  -7.459   1.488  -0.190
    2    HG1  THR  21          HG21      THR  21  -6.245  -1.373  -2.998
    3   HG21  THR  21          HG22      THR  21  -7.490   1.323  -2.179
    4   HG22  THR  21          HG23      THR  21  -7.760   0.090  -3.412
    5   HG23  THR  21           HXT      THR  21  -8.986   0.387  -2.180
    6    HA   THR  21           HB1      THR  21  -5.902  -0.807   0.145
    7    HB   THR  21          HG12      THR  21  -8.039  -1.073  -0.828

  No H/Q in entry =           7
  In of MODEL    8
    1    H    CYS  22           H        CYS  22  -4.044  -1.517  -0.711
    2    HA   CYS  22           HB1      CYS  22  -2.630   0.292  -2.541
    3    HB2  CYS  22           HG2      CYS  22  -0.580  -0.779  -1.786
    4    HB3  CYS  22           HG3      CYS  22  -1.515  -0.236  -0.397

  No H/Q in entry =           4
  In of MODEL    8
    1    H    TRP  23           H        TRP  23  -3.800  -2.978  -2.178
    2    HE1  TRP  23           HE3      TRP  23  -2.434  -7.337  -7.668
    3    HE3  TRP  23           HZ2      TRP  23  -2.454  -7.910  -2.353
    4    HZ2  TRP  23           HZ3      TRP  23  -2.366 -10.041  -6.860
    5    HZ3  TRP  23           HH2      TRP  23  -2.387 -10.357  -2.605
    6    HH2  TRP  23           HXT      TRP  23  -2.344 -11.399  -4.813
    7    HA   TRP  23           HB1      TRP  23  -3.110  -3.479  -4.990
    8    HB2  TRP  23           HG2      TRP  23  -1.516  -4.695  -3.543
    9    HB3  TRP  23           HG3      TRP  23  -2.867  -5.502  -2.752
   10    HD1  TRP  23           HD2      TRP  23  -2.505  -5.012  -6.564

  No H/Q in entry =          10
  In of MODEL    8
    1    H    LYS  24           H        LYS  24  -4.603  -4.656  -6.167
    2    HB2  LYS  24           HG2      LYS  24  -7.004  -3.164  -6.128
    3    HB3  LYS  24           HG3      LYS  24  -7.379  -4.258  -7.452
    4    HG2  LYS  24           HG3      LYS  24  -8.942  -4.143  -4.884
    5    HG3  LYS  24           HD2      LYS  24  -9.362  -3.239  -6.340
    6    HD2  LYS  24           HD3      LYS  24  -9.645  -5.289  -7.584
    7    HE2  LYS  24           HE3      LYS  24 -11.017  -5.344  -4.903
    8    HE3  LYS  24           HZ1      LYS  24 -11.607  -4.603  -6.390
    9    HZ1  LYS  24           HZ2      LYS  24 -11.036  -7.497  -6.249
   10    HZ2  LYS  24           HZ3      LYS  24 -12.525  -6.876  -5.739
   11    HD3  LYS  24           HXT      LYS  24  -9.083  -6.240  -6.208
   12    HZ3  LYS  24           HXT      LYS  24 -12.025  -6.667  -7.342
   13    HA   LYS  24           HB1      LYS  24  -7.051  -5.485  -4.771

  No H/Q in entry =          13
  In of MODEL    8
    1    H    THR  25           H        THR  25  -7.356  -7.569  -5.150
    2    HG1  THR  25          HG21      THR  25  -4.995  -9.576  -4.562
    3   HG21  THR  25          HG22      THR  25  -5.584 -10.365  -8.190
    4   HG22  THR  25          HG23      THR  25  -4.305 -10.698  -7.022
    5   HG23  THR  25           HXT      THR  25  -5.727 -11.738  -7.092
    6    HA   THR  25           HB1      THR  25  -6.703  -8.625  -7.821
    7    HB   THR  25          HG12      THR  25  -6.621 -10.482  -5.509

  No H/Q in entry =           7
  In of MODEL    8
    1    H    SER  26           H        SER  26  -7.980 -10.453  -8.515
    2    HG   SER  26           HXT      SER  26 -11.897 -11.562  -9.809
    3    HA   SER  26           HB1      SER  26 -10.730 -10.099  -8.126
    4    HB2  SER  26           HG2      SER  26  -9.724 -11.147 -10.139
    5    HB3  SER  26           HG3      SER  26  -9.325 -12.568  -9.175

  No H/Q in entry =           5
  In of MODEL    8
    1    H    VAL  27           H        VAL  27  -8.417 -12.202  -6.550
    2    HB   VAL  27          HG12      VAL  27  -8.561 -14.765  -3.967
    3   HG11  VAL  27          HG12      VAL  27  -8.729 -14.653  -6.921
    4   HG12  VAL  27          HG13      VAL  27  -7.326 -15.462  -6.223
    5   HG13  VAL  27          HG21      VAL  27  -8.952 -16.013  -5.822
    6   HG21  VAL  27          HG22      VAL  27  -7.131 -12.462  -5.067
    7   HG22  VAL  27          HG23      VAL  27  -6.761 -13.464  -3.664
    8   HG23  VAL  27           HXT      VAL  27  -6.286 -13.996  -5.277
    9    HA   VAL  27           HB1      VAL  27 -10.445 -13.717  -5.161

  No H/Q in entry =           9
  In of MODEL    8
    1    H    SER  28           H        SER  28  -8.352 -10.985  -4.510
    2    HG   SER  28           HXT      SER  28  -9.388 -11.238   0.359
    3    HA   SER  28           HB1      SER  28  -9.935 -10.005  -2.416
    4    HB2  SER  28           HG2      SER  28  -8.679 -12.104  -1.409
    5    HB3  SER  28           HG3      SER  28  -7.346 -10.959  -1.264

  No H/Q in entry =           5
  In of MODEL    8
    1    H    SER  29           H        SER  29  -8.792  -8.198  -1.206
    2    HG   SER  29           HXT      SER  29 -10.149  -6.417  -2.347
    3    HA   SER  29           HB1      SER  29  -6.726  -6.985  -2.922
    4    HB2  SER  29           HG2      SER  29  -8.593  -5.212  -1.426
    5    HB3  SER  29           HG3      SER  29  -7.827  -4.973  -2.997

  No H/Q in entry =           5
  In of MODEL    8
    1    H    HIS  30           H        HIS  30  -5.880  -4.900  -1.601
    2    HD1  HIS  30           HD2      HIS  30  -0.862  -5.799  -0.268
    3    HD2  HIS  30           HE1      HIS  30  -4.428  -7.906   0.055
    4    HE1  HIS  30           HE2      HIS  30  -0.209  -8.227  -0.255
    5    HE2  HIS  30           HXT      HIS  30  -2.376  -9.480   0.028
    6    HA   HIS  30           HB1      HIS  30  -5.152  -5.888   1.080
    7    HB2  HIS  30           HG2      HIS  30  -3.488  -4.627  -1.070
    8    HB3  HIS  30           HG3      HIS  30  -3.033  -4.417   0.617

  No H/Q in entry =           8
  In of MODEL    8
    1    H    TYR  31           H        TYR  31  -4.059  -3.885   2.314
    2    HD1  TYR  31           HD2      TYR  31  -7.292  -0.085   2.550
    3    HD2  TYR  31           HE1      TYR  31  -8.247  -4.085   3.639
    4    HE1  TYR  31           HE2      TYR  31  -9.572   0.232   1.688
    5    HE2  TYR  31           HH       TYR  31 -10.531  -3.779   2.782
    6    HH   TYR  31           HXT      TYR  31 -12.094  -2.010   2.291
    7    HA   TYR  31           HB1      TYR  31  -5.519  -1.420   1.853
    8    HB2  TYR  31           HG2      TYR  31  -6.126  -3.303   4.061
    9    HB3  TYR  31           HG3      TYR  31  -6.049  -1.594   4.481

  No H/Q in entry =           9
  In of MODEL    8
    1    H    CYS  32           H        CYS  32  -4.065   0.132   2.004
    2    HA   CYS  32           HB1      CYS  32  -1.625  -0.274   3.510
    3    HB2  CYS  32           HG2      CYS  32  -1.925   0.902   1.191
    4    HB3  CYS  32           HG3      CYS  32  -2.341   2.309   2.165

  No H/Q in entry =           4
  In of MODEL    8
    1    H    THR  33           H        THR  33  -1.102   0.622   5.422
    2    HG1  THR  33          HG21      THR  33  -1.553   1.279   9.882
    3   HG21  THR  33          HG22      THR  33   0.267   1.164   7.175
    4   HG22  THR  33          HG23      THR  33   0.146   0.539   8.820
    5   HG23  THR  33           HXT      THR  33  -0.335  -0.470   7.455
    6    HA   THR  33           HB1      THR  33  -3.190   2.133   6.801
    7    HB   THR  33          HG12      THR  33  -2.391   0.232   8.020

  No H/Q in entry =           7
  In of MODEL    8
    1    H    GLY  34           H        GLY  34  -1.233   3.228   4.745
    2    HA2  GLY  34           HA3      GLY  34  -0.929   5.787   5.734
    3    HA3  GLY  34           HXT      GLY  34   0.037   5.116   4.430

  No H/Q in entry =           3
  In of MODEL    8
    1    H    ARG  35           H        ARG  35   1.117   3.022   6.270
    2    HB2  ARG  35           HG2      ARG  35   1.884   1.872   8.118
    3    HB3  ARG  35           HG3      ARG  35   3.474   2.234   8.777
    4    HG2  ARG  35           HD2      ARG  35   2.059   4.201   9.924
    5    HD2  ARG  35           HD3      ARG  35   3.440   2.146  10.840
    6    HG3  ARG  35           HD3      ARG  35   0.797   2.978   9.760
    7    HE   ARG  35          HH12      ARG  35   0.964   0.931  10.695
    8   HH11  ARG  35          HH21      ARG  35   3.329   1.618  13.168
    9   HH12  ARG  35          HH22      ARG  35   2.911   0.237  14.126
   10    HD3  ARG  35           HXT      ARG  35   2.369   3.079  11.884
   11   HH21  ARG  35           HXT      ARG  35   0.413  -0.885  11.954
   12   HH22  ARG  35           H1       ARG  35   1.257  -1.184  13.437
   13    HA   ARG  35           HB1      ARG  35   2.822   4.694   7.981

  No H/Q in entry =          13
  In of MODEL    8
    1    H    SER  36           H        SER  36   2.870   2.346   5.379
    2    HG   SER  36           HXT      SER  36   4.368  -0.037   5.285
    3    HA   SER  36           HB1      SER  36   5.441   3.238   4.508
    4    HB2  SER  36           HG2      SER  36   6.480   0.917   4.651
    5    HB3  SER  36           HG3      SER  36   6.333   1.792   6.175

  No H/Q in entry =           5
  In of MODEL    8
    1    H    CYS  37           H        CYS  37   6.204   1.868   2.596
    2    HA   CYS  37           HB1      CYS  37   4.028   1.633   0.769
    3    HB2  CYS  37           HG2      CYS  37   6.695   2.126   0.497
    4    HB3  CYS  37           HG3      CYS  37   6.607   0.448  -0.027

  No H/Q in entry =           4
  In of MODEL    8
    1    H    GLU  38           H        GLU  38   5.880  -0.610   2.692
    2    HB2  GLU  38           HG2      GLU  38   5.739  -4.078   3.547
    3    HB3  GLU  38           HG3      GLU  38   7.015  -3.099   2.837
    4    HA   GLU  38           HB1      GLU  38   5.203  -2.983   1.320
    5    HG2  GLU  38           HD2      GLU  38   6.883  -1.501   4.450
    6    HG3  GLU  38           HD3      GLU  38   5.170  -1.788   4.751

  No H/Q in entry =           6
  In of MODEL    8
    1    H    CYS  39           H        CYS  39   3.196  -3.658   0.973
    2    HA   CYS  39           HB1      CYS  39   0.961  -2.861   2.518
    3    HB2  CYS  39           HG2      CYS  39   1.261  -5.097   0.504
    4    HB3  CYS  39           HG3      CYS  39  -0.274  -4.558   1.176

  No H/Q in entry =           4
  In of MODEL    8
    1    HB2  PRO  40           HG2      PRO  40  -1.736  -6.161   6.189
    2    HB3  PRO  40           HG3      PRO  40  -0.878  -4.685   6.647
    3    HG2  PRO  40           HD2      PRO  40  -2.545  -5.231   4.221
    4    HD2  PRO  40           HD3      PRO  40  -1.232  -3.903   2.873
    5    HG3  PRO  40           HD3      PRO  40  -2.515  -3.791   5.256
    6    HD3  PRO  40           HXT      PRO  40  -0.626  -2.947   4.240
    7    HA   PRO  40           HB1      PRO  40   0.924  -5.822   5.784

  No H/Q in entry =           7
  In of MODEL    8
    1    H    SER  41           H        SER  41  -0.204  -7.955   6.439
    2    HG   SER  41           HXT      SER  41   1.424  -9.151   6.954
    3    HA   SER  41           HB1      SER  41  -0.316  -9.672   4.052
    4    HB2  SER  41           HG2      SER  41   0.053 -10.917   6.714
    5    HB3  SER  41           HG3      SER  41   0.838 -11.282   5.177

  No H/Q in entry =           5
  In of MODEL    8
    1    H    TYR  42           H        TYR  42  -2.595  -8.212   4.950
    2    HD1  TYR  42           HD2      TYR  42  -5.200 -11.305   8.392
    3    HD2  TYR  42           HE1      TYR  42  -2.075  -8.472   7.838
    4    HE1  TYR  42           HE2      TYR  42  -3.820 -12.517  10.027
    5    HE2  TYR  42           HH       TYR  42  -0.685  -9.677   9.471
    6    HH   TYR  42           HXT      TYR  42  -1.452 -12.790  10.596
    7    HA   TYR  42           HB1      TYR  42  -4.408 -10.448   5.376
    8    HB2  TYR  42           HG2      TYR  42  -4.443  -8.003   7.158
    9    HB3  TYR  42           HG3      TYR  42  -5.620  -9.312   7.184

  No H/Q in entry =           9
  In of MODEL    8
    1    HB2  PRO  43           HG2      PRO  43  -9.212  -8.989   4.236
    2    HB3  PRO  43           HG3      PRO  43  -9.047  -9.425   2.531
    3    HG2  PRO  43           HD2      PRO  43  -8.781 -11.268   4.432
    4    HD2  PRO  43           HD3      PRO  43  -7.115 -10.424   5.785
    5    HG3  PRO  43           HD3      PRO  43  -7.740 -11.284   2.996
    6    HD3  PRO  43           HXT      PRO  43  -6.080 -11.238   4.594
    7    HA   PRO  43           HB1      PRO  43  -6.948  -8.495   2.360

  No H/Q in entry =           7
  In of MODEL    8
    1    H    GLY  44           H        GLY  44  -7.203  -7.540   5.723
    2    HA2  GLY  44           HA3      GLY  44  -8.723  -5.168   5.263
    3    HA3  GLY  44           HXT      GLY  44  -7.001  -4.822   5.304

  No H/Q in entry =           3
  In of MODEL    9
    1    H1   ALA   1           H1       ALA   1  19.206  14.852   2.192
    2    H2   ALA   1           H2       ALA   1  20.594  13.849   2.127
    3    H3   ALA   1           H3       ALA   1  19.531  13.928   0.783
    4    HA   ALA   1           HB1      ALA   1  19.203  11.920   1.961
    5    HB1  ALA   1           HB2      ALA   1  18.765  13.749   4.312
    6    HB2  ALA   1           HB3      ALA   1  19.994  12.496   4.131
    7    HB3  ALA   1           HXT      ALA   1  18.296  12.049   4.294

  No H/Q in entry =           7
  In of MODEL    9
    1    H    MET   2           H        MET   2  17.234  11.005   1.644
    2    HB2  MET   2           HG2      MET   2  15.807  13.477   0.000
    3    HB3  MET   2           HG3      MET   2  15.282  12.032  -0.853
    4    HE1  MET   2           HE2      MET   2  11.348  14.346  -0.013
    5    HE2  MET   2           HE3      MET   2  11.442  15.482   1.333
    6    HE3  MET   2           HXT      MET   2  11.660  16.054  -0.321
    7    HA   MET   2           HB1      MET   2  14.758  12.274   2.085
    8    HG2  MET   2           HD2      MET   2  13.402  13.216  -1.145
    9    HG3  MET   2           HD3      MET   2  13.025  12.625   0.473

  No H/Q in entry =           9
  In of MODEL    9
    1    H    ASP   3           H        ASP   3  14.476  10.194   3.014
    2    HA   ASP   3           HB1      ASP   3  14.720   7.769   1.627
    3    HB2  ASP   3           HG2      ASP   3  12.747   8.332   3.845
    4    HB3  ASP   3           HG3      ASP   3  13.465   6.781   3.417

  No H/Q in entry =           4
  In of MODEL    9
    1    H    CYS   4           H        CYS   4  13.283   6.520   0.478
    2    HA   CYS   4           HB1      CYS   4  10.564   7.401   0.057
    3    HB2  CYS   4           HG2      CYS   4  12.660   7.594  -2.090
    4    HB3  CYS   4           HG3      CYS   4  10.967   7.339  -2.499

  No H/Q in entry =           4
  In of MODEL    9
    1    H    THR   5           H        THR   5   9.232   5.756  -0.548
    2    HG1  THR   5          HG21      THR   5   7.110   3.901   1.149
    3   HG21  THR   5          HG22      THR   5  10.352   2.470   1.128
    4   HG22  THR   5          HG23      THR   5   9.283   3.447   2.135
    5   HG23  THR   5           HXT      THR   5   8.826   1.799   1.703
    6    HA   THR   5           HB1      THR   5  10.504   3.128  -0.904
    7    HB   THR   5          HG12      THR   5   8.037   2.405  -0.290

  No H/Q in entry =           7
  In of MODEL    9
    1    H    THR   6           H        THR   6   9.284   1.564  -2.261
    2    HG1  THR   6          HG21      THR   6  11.173   1.989  -4.194
    3   HG21  THR   6          HG22      THR   6   8.319   2.848  -6.538
    4   HG22  THR   6          HG23      THR   6   9.945   2.443  -7.086
    5   HG23  THR   6           HXT      THR   6   8.695   1.201  -7.043
    6    HA   THR   6           HB1      THR   6   7.788   2.856  -4.433
    7    HB   THR   6          HG12      THR   6   9.730   0.686  -5.106

  No H/Q in entry =           7
  In of MODEL    9
    1    H    GLY   7           H        GLY   7   6.017   1.771  -5.064
    2    HA2  GLY   7           HA3      GLY   7   5.212  -0.555  -3.607
    3    HA3  GLY   7           HXT      GLY   7   5.631  -0.944  -5.269

  No H/Q in entry =           3
  In of MODEL    9
    1    HB2  PRO   8           HG2      PRO   8  -0.215  -1.512  -5.017
    2    HB3  PRO   8           HG3      PRO   8   0.872  -2.095  -6.283
    3    HG2  PRO   8           HD2      PRO   8   1.179  -2.238  -3.309
    4    HD2  PRO   8           HD3      PRO   8   3.456  -1.946  -3.403
    5    HG3  PRO   8           HD3      PRO   8   1.511  -3.482  -4.529
    6    HD3  PRO   8           HXT      PRO   8   3.568  -2.597  -5.050
    7    HA   PRO   8           HB1      PRO   8   1.480   0.127  -6.334

  No H/Q in entry =           7
  In of MODEL    9
    1    H    CYS   9           H        CYS   9   1.976   0.037  -2.862
    2    HA   CYS   9           HB1      CYS   9  -0.366   1.614  -2.278
    3    HB2  CYS   9           HG2      CYS   9   0.656  -0.109  -0.720
    4    HB3  CYS   9           HG3      CYS   9   1.953   1.046  -0.431

  No H/Q in entry =           4
  In of MODEL    9
    1    H    CYS  10           H        CYS  10   3.022   2.172  -2.867
    2    HA   CYS  10           HB1      CYS  10   2.617   5.041  -2.333
    3    HB2  CYS  10           HG2      CYS  10   5.006   5.221  -1.924
    4    HB3  CYS  10           HG3      CYS  10   4.318   3.978  -0.884

  No H/Q in entry =           4
  In of MODEL    9
    1    H    ARG  11           H        ARG  11   2.589   6.320  -4.048
    2    HB2  ARG  11           HG2      ARG  11   3.375   8.040  -7.057
    3    HB3  ARG  11           HG3      ARG  11   1.770   7.523  -6.566
    4    HG2  ARG  11           HD2      ARG  11   1.900   8.590  -4.611
    5    HD2  ARG  11           HD3      ARG  11   3.936   9.810  -6.340
    6    HG3  ARG  11           HD3      ARG  11   3.552   8.044  -4.316
    7    HE   ARG  11          HH12      ARG  11   4.294   9.978  -3.501
    8   HH11  ARG  11          HH21      ARG  11   4.589  11.718  -6.511
    9   HH12  ARG  11          HH22      ARG  11   5.804  12.797  -5.913
   10    HD3  ARG  11           HXT      ARG  11   2.564  10.543  -5.510
   11   HH21  ARG  11           HXT      ARG  11   5.892  11.396  -2.712
   12   HH22  ARG  11           H1       ARG  11   6.544  12.614  -3.756
   13    HA   ARG  11           HB1      ARG  11   2.793   5.483  -6.669

  No H/Q in entry =          13
  In of MODEL    9
    1    H    GLN  12           H        GLN  12   5.186   7.790  -5.401
    2    HB2  GLN  12           HG2      GLN  12   6.801   9.060  -7.071
    3    HB3  GLN  12           HG3      GLN  12   8.375   8.325  -7.339
    4   HE21  GLN  12          HE22      GLN  12   8.858   9.047  -9.433
    5   HE22  GLN  12           HXT      GLN  12   8.133  10.119 -10.578
    6    HA   GLN  12           HB1      GLN  12   7.311   6.136  -6.567
    7    HG2  GLN  12           HD2      GLN  12   7.526   6.909  -9.035
    8    HG3  GLN  12           HD3      GLN  12   5.859   7.317  -8.632

  No H/Q in entry =           8
  In of MODEL    9
    1    H    CYS  13           H        CYS  13   6.196   7.347  -3.808
    2    HA   CYS  13           HB1      CYS  13   8.595   7.075  -2.396
    3    HB2  CYS  13           HG2      CYS  13   9.206   9.203  -3.453
    4    HB3  CYS  13           HG3      CYS  13   7.741   9.947  -2.821

  No H/Q in entry =           4
  In of MODEL    9
    1    H    LYS  14           H        LYS  14   5.624   9.044  -2.339
    2    HB2  LYS  14           HG2      LYS  14   4.009  10.275  -1.547
    3    HB3  LYS  14           HG3      LYS  14   2.962   9.741  -0.240
    4    HG2  LYS  14           HG3      LYS  14   4.005  11.891   0.248
    5    HG3  LYS  14           HD2      LYS  14   4.502  10.649   1.399
    6    HD2  LYS  14           HD3      LYS  14   6.512  10.329  -0.219
    7    HE2  LYS  14           HE3      LYS  14   6.535  12.935   1.252
    8    HE3  LYS  14           HZ1      LYS  14   6.413  11.411   2.130
    9    HZ1  LYS  14           HZ2      LYS  14   8.569  12.029   0.187
   10    HZ2  LYS  14           HZ3      LYS  14   8.715  12.249   1.858
   11    HD3  LYS  14           HXT      LYS  14   6.074  11.938  -0.797
   12    HZ3  LYS  14           HXT      LYS  14   8.482  10.697   1.228
   13    HA   LYS  14           HB1      LYS  14   5.248   8.506   0.481

  No H/Q in entry =          13
  In of MODEL    9
    1    H    LEU  15           H        LEU  15   3.713   7.205   1.389
    2   HD11  LEU  15          HD12      LEU  15   1.508   4.132   3.829
    3   HD12  LEU  15          HD13      LEU  15   3.021   4.195   4.734
    4   HD13  LEU  15          HD21      LEU  15   1.827   5.479   4.922
    5   HD21  LEU  15          HD22      LEU  15   4.977   5.040   2.787
    6   HD22  LEU  15          HD23      LEU  15   4.692   6.758   3.063
    7   HD23  LEU  15           HXT      LEU  15   4.604   5.623   4.409
    8    HG   LEU  15           HXT      LEU  15   2.455   6.529   3.034
    9    HA   LEU  15           HB1      LEU  15   2.574   5.174  -0.351
   10    HB2  LEU  15           HG2      LEU  15   1.883   4.148   1.866
   11    HB3  LEU  15           HG3      LEU  15   3.603   4.253   1.543

  No H/Q in entry =          11
  In of MODEL    9
    1    H    LYS  16           H        LYS  16   0.324   4.451   0.001
    2    HB2  LYS  16           HG2      LYS  16  -1.765   3.656  -0.185
    3    HB3  LYS  16           HG3      LYS  16  -3.197   4.670  -0.082
    4    HG2  LYS  16           HG3      LYS  16  -2.921   5.502  -2.226
    5    HG3  LYS  16           HD2      LYS  16  -1.210   5.074  -2.278
    6    HD2  LYS  16           HD3      LYS  16  -2.083   2.635  -2.074
    7    HE2  LYS  16           HE3      LYS  16  -2.381   4.298  -4.567
    8    HE3  LYS  16           HZ1      LYS  16  -0.965   3.382  -4.054
    9    HZ1  LYS  16           HZ2      LYS  16  -3.570   2.090  -4.611
   10    HZ2  LYS  16           HZ3      LYS  16  -2.405   2.331  -5.814
   11    HD3  LYS  16           HXT      LYS  16  -3.614   3.324  -2.619
   12    HZ3  LYS  16           HXT      LYS  16  -2.050   1.359  -4.476
   13    HA   LYS  16           HB1      LYS  16  -1.474   6.636  -0.262

  No H/Q in entry =          13
  In of MODEL    9
    1    HB2  PRO  17           HG2      PRO  17  -5.537   7.336   2.836
    2    HB3  PRO  17           HG3      PRO  17  -4.758   8.672   3.690
    3    HG2  PRO  17           HD2      PRO  17  -5.226   8.821   1.073
    4    HD2  PRO  17           HD3      PRO  17  -4.161   6.958   0.226
    5    HG3  PRO  17           HD3      PRO  17  -3.733   9.476   1.772
    6    HD3  PRO  17           HXT      PRO  17  -2.774   8.067   0.219
    7    HA   PRO  17           HB1      PRO  17  -2.746   7.571   3.848

  No H/Q in entry =           7
  In of MODEL    9
    1    H    ALA  18           H        ALA  18  -3.469   6.574   5.695
    2    HA   ALA  18           HB1      ALA  18  -3.565   3.797   5.786
    3    HB1  ALA  18           HB2      ALA  18  -3.273   5.669   7.651
    4    HB2  ALA  18           HB3      ALA  18  -4.972   5.287   7.927
    5    HB3  ALA  18           HXT      ALA  18  -3.754   4.017   8.040

  No H/Q in entry =           5
  In of MODEL    9
    1    H    GLY  19           H        GLY  19  -5.064   2.428   5.095
    2    HA2  GLY  19           HA3      GLY  19  -7.897   3.168   5.408
    3    HA3  GLY  19           HXT      GLY  19  -7.283   1.525   5.307

  No H/Q in entry =           3
  In of MODEL    9
    1    H    THR  20           H        THR  20  -5.489   2.674   3.031
    2    HG1  THR  20          HG21      THR  20  -5.715   5.500   1.631
    3   HG21  THR  20          HG22      THR  20  -6.382   3.009  -1.299
    4   HG22  THR  20          HG23      THR  20  -6.681   4.742  -1.161
    5   HG23  THR  20           HXT      THR  20  -5.033   4.144  -1.360
    6    HA   THR  20           HB1      THR  20  -7.569   2.626   0.947
    7    HB   THR  20          HG12      THR  20  -4.794   3.822   0.816

  No H/Q in entry =           7
  In of MODEL    9
    1    H    THR  21           H        THR  21  -7.705   0.692   0.030
    2    HG1  THR  21          HG21      THR  21  -6.833  -3.345  -1.484
    3   HG21  THR  21          HG22      THR  21  -8.072   0.395  -1.907
    4   HG22  THR  21          HG23      THR  21  -8.305  -0.924  -3.054
    5   HG23  THR  21           HXT      THR  21  -9.393  -0.751  -1.677
    6    HA   THR  21           HB1      THR  21  -5.847  -1.362   0.199
    7    HB   THR  21          HG12      THR  21  -8.057  -1.944  -0.390

  No H/Q in entry =           7
  In of MODEL    9
    1    H    CYS  22           H        CYS  22  -4.457  -2.311  -1.364
    2    HA   CYS  22           HB1      CYS  22  -3.489  -0.455  -3.434
    3    HB2  CYS  22           HG2      CYS  22  -1.177  -1.447  -2.917
    4    HB3  CYS  22           HG3      CYS  22  -1.829  -0.274  -1.778

  No H/Q in entry =           4
  In of MODEL    9
    1    H    TRP  23           H        TRP  23  -3.591  -3.812  -2.306
    2    HE1  TRP  23           HE3      TRP  23  -1.329  -8.488  -7.006
    3    HE3  TRP  23           HZ2      TRP  23  -3.000  -8.879  -1.943
    4    HZ2  TRP  23           HZ3      TRP  23  -1.383 -11.152  -6.075
    5    HZ3  TRP  23           HH2      TRP  23  -2.732 -11.323  -2.031
    6    HH2  TRP  23           HXT      TRP  23  -1.940 -12.435  -4.055
    7    HA   TRP  23           HB1      TRP  23  -3.040  -4.751  -5.021
    8    HB2  TRP  23           HG2      TRP  23  -1.902  -5.691  -2.904
    9    HB3  TRP  23           HG3      TRP  23  -3.433  -6.510  -2.610
   10    HD1  TRP  23           HD2      TRP  23  -1.863  -6.137  -6.105

  No H/Q in entry =          10
  In of MODEL    9
    1    H    LYS  24           H        LYS  24  -4.368  -6.541  -5.876
    2    HB2  LYS  24           HG2      LYS  24  -6.752  -4.701  -6.432
    3    HB3  LYS  24           HG3      LYS  24  -7.988  -5.827  -6.976
    4    HG2  LYS  24           HG3      LYS  24  -8.402  -5.868  -4.301
    5    HG3  LYS  24           HD2      LYS  24  -7.846  -4.210  -4.534
    6    HD2  LYS  24           HD3      LYS  24  -9.840  -5.200  -6.474
    7    HE2  LYS  24           HE3      LYS  24 -10.161  -2.719  -4.890
    8    HE3  LYS  24           HZ1      LYS  24  -8.784  -2.797  -5.987
    9    HZ1  LYS  24           HZ2      LYS  24 -10.384  -3.415  -7.765
   10    HZ2  LYS  24           HZ3      LYS  24 -11.650  -3.105  -6.687
   11    HD3  LYS  24           HXT      LYS  24 -10.411  -4.978  -4.819
   12    HZ3  LYS  24           HXT      LYS  24 -10.610  -1.854  -7.154
   13    HA   LYS  24           HB1      LYS  24  -6.900  -7.206  -4.888

  No H/Q in entry =          13
  In of MODEL    9
    1    H    THR  25           H        THR  25  -7.632  -8.956  -5.960
    2    HG1  THR  25          HG21      THR  25  -7.304 -12.505  -8.072
    3   HG21  THR  25          HG22      THR  25  -7.205 -10.844  -5.504
    4   HG22  THR  25          HG23      THR  25  -6.819 -12.502  -5.966
    5   HG23  THR  25           HXT      THR  25  -5.542 -11.424  -5.400
    6    HA   THR  25           HB1      THR  25  -6.684  -9.406  -8.700
    7    HB   THR  25          HG12      THR  25  -5.178 -10.737  -7.462

  No H/Q in entry =           7
  In of MODEL    9
    1    H    SER  26           H        SER  26  -9.042  -8.459  -8.574
    2    HG   SER  26           HXT      SER  26  -9.817  -9.470 -11.415
    3    HA   SER  26           HB1      SER  26 -11.254  -8.750  -9.016
    4    HB2  SER  26           HG2      SER  26  -9.986 -11.232 -10.110
    5    HB3  SER  26           HG3      SER  26 -11.743 -11.080 -10.125

  No H/Q in entry =           5
  In of MODEL    9
    1    H    VAL  27           H        VAL  27 -10.165  -9.683  -6.350
    2    HB   VAL  27          HG12      VAL  27 -11.413 -12.844  -4.430
    3   HG11  VAL  27          HG12      VAL  27 -13.645 -12.187  -5.783
    4   HG12  VAL  27          HG13      VAL  27 -12.799 -13.131  -7.010
    5   HG13  VAL  27          HG21      VAL  27 -13.156 -13.846  -5.438
    6   HG21  VAL  27          HG22      VAL  27  -9.507 -12.374  -6.047
    7   HG22  VAL  27          HG23      VAL  27 -10.249 -13.970  -6.138
    8   HG23  VAL  27           HXT      VAL  27 -10.652 -12.741  -7.337
    9    HA   VAL  27           HB1      VAL  27 -12.586 -10.563  -5.247

  No H/Q in entry =           9
  In of MODEL    9
    1    H    SER  28           H        SER  28  -9.083 -10.902  -4.842
    2    HG   SER  28           HXT      SER  28  -5.952 -10.772  -1.617
    3    HA   SER  28           HB1      SER  28  -9.316 -10.448  -1.983
    4    HB2  SER  28           HG2      SER  28  -7.713 -12.121  -3.064
    5    HB3  SER  28           HG3      SER  28  -6.752 -10.724  -3.547

  No H/Q in entry =           5
  In of MODEL    9
    1    H    SER  29           H        SER  29  -7.483  -8.943  -1.081
    2    HG   SER  29           HXT      SER  29  -8.988  -4.314  -2.582
    3    HA   SER  29           HB1      SER  29  -6.649  -6.695  -2.528
    4    HB2  SER  29           HG2      SER  29  -9.286  -6.465  -2.303
    5    HB3  SER  29           HG3      SER  29  -8.859  -5.845  -0.709

  No H/Q in entry =           5
  In of MODEL    9
    1    H    HIS  30           H        HIS  30  -5.319  -5.370  -1.316
    2    HD1  HIS  30           HD2      HIS  30  -0.725  -7.118   0.377
    3    HD2  HIS  30           HE1      HIS  30  -4.683  -8.374   0.545
    4    HE1  HIS  30           HE2      HIS  30  -0.629  -9.628   0.497
    5    HE2  HIS  30           HXT      HIS  30  -3.033 -10.361   0.685
    6    HA   HIS  30           HB1      HIS  30  -4.980  -6.163   1.502
    7    HB2  HIS  30           HG2      HIS  30  -2.978  -5.432  -0.616
    8    HB3  HIS  30           HG3      HIS  30  -2.581  -5.257   1.090

  No H/Q in entry =           8
  In of MODEL    9
    1    H    TYR  31           H        TYR  31  -5.656  -4.651   2.860
    2    HD1  TYR  31           HD2      TYR  31  -8.793  -0.996   4.727
    3    HD2  TYR  31           HE1      TYR  31  -7.771  -3.886   1.778
    4    HE1  TYR  31           HE2      TYR  31 -11.054  -0.816   3.775
    5    HE2  TYR  31           HH       TYR  31 -10.026  -3.714   0.817
    6    HH   TYR  31           HXT      TYR  31 -11.952  -1.472   1.029
    7    HA   TYR  31           HB1      TYR  31  -5.941  -1.906   2.031
    8    HB2  TYR  31           HG2      TYR  31  -6.677  -3.489   4.454
    9    HB3  TYR  31           HG3      TYR  31  -6.594  -1.735   4.586

  No H/Q in entry =           9
  In of MODEL    9
    1    H    CYS  32           H        CYS  32  -4.507  -0.333   2.290
    2    HA   CYS  32           HB1      CYS  32  -1.980  -0.855   3.531
    3    HB2  CYS  32           HG2      CYS  32  -3.195   1.571   2.223
    4    HB3  CYS  32           HG3      CYS  32  -1.617   1.632   3.000

  No H/Q in entry =           4
  In of MODEL    9
    1    H    THR  33           H        THR  33  -1.204  -0.183   5.464
    2    HG1  THR  33          HG21      THR  33  -2.098   0.272   9.862
    3   HG21  THR  33          HG22      THR  33   0.331   0.171   6.874
    4   HG22  THR  33          HG23      THR  33   0.656  -0.472   8.483
    5   HG23  THR  33           HXT      THR  33  -0.026  -1.517   7.237
    6    HA   THR  33           HB1      THR  33  -3.151   0.884   7.353
    7    HB   THR  33          HG12      THR  33  -1.991  -1.029   8.161

  No H/Q in entry =           7
  In of MODEL    9
    1    H    GLY  34           H        GLY  34  -1.463   2.398   5.195
    2    HA2  GLY  34           HA3      GLY  34  -1.386   4.873   6.425
    3    HA3  GLY  34           HXT      GLY  34  -0.439   4.445   5.008

  No H/Q in entry =           3
  In of MODEL    9
    1    H    ARG  35           H        ARG  35   0.992   2.327   6.537
    2    HB2  ARG  35           HG2      ARG  35   1.579   2.057   9.331
    3    HB3  ARG  35           HG3      ARG  35   2.512   1.027   8.255
    4    HG2  ARG  35           HD2      ARG  35   4.554   2.296   9.236
    5    HD2  ARG  35           HD3      ARG  35   4.154   0.759  11.417
    6    HG3  ARG  35           HD3      ARG  35   3.439   2.707  10.540
    7    HE   ARG  35          HH12      ARG  35   4.685  -0.879   9.153
    8   HH11  ARG  35          HH21      ARG  35   5.956   1.780  11.021
    9   HH12  ARG  35          HH22      ARG  35   7.603   1.456  10.595
   10    HD3  ARG  35           HXT      ARG  35   2.967   0.061  10.316
   11   HH21  ARG  35           HXT      ARG  35   6.851  -1.308   8.592
   12   HH22  ARG  35           H1       ARG  35   8.111  -0.297   9.215
   13    HA   ARG  35           HB1      ARG  35   2.655   4.044   8.255

  No H/Q in entry =          13
  In of MODEL    9
    1    H    SER  36           H        SER  36   2.679   1.755   5.598
    2    HG   SER  36           HXT      SER  36   6.763   1.978   6.122
    3    HA   SER  36           HB1      SER  36   5.240   2.779   4.727
    4    HB2  SER  36           HG2      SER  36   4.875  -0.072   5.633
    5    HB3  SER  36           HG3      SER  36   6.120   0.376   4.467

  No H/Q in entry =           5
  In of MODEL    9
    1    H    CYS  37           H        CYS  37   5.908   1.594   2.629
    2    HA   CYS  37           HB1      CYS  37   3.696   1.781   0.828
    3    HB2  CYS  37           HG2      CYS  37   5.990   2.513   0.235
    4    HB3  CYS  37           HG3      CYS  37   6.519   0.835   0.290

  No H/Q in entry =           4
  In of MODEL    9
    1    H    GLU  38           H        GLU  38   5.387  -0.818   2.408
    2    HB2  GLU  38           HG2      GLU  38   6.153  -2.768   2.994
    3    HB3  GLU  38           HG3      GLU  38   4.656  -3.351   3.709
    4    HA   GLU  38           HB1      GLU  38   4.733  -2.961   0.755
    5    HG2  GLU  38           HD2      GLU  38   4.888  -5.415   2.846
    6    HG3  GLU  38           HD3      GLU  38   5.601  -4.827   1.345

  No H/Q in entry =           6
  In of MODEL    9
    1    H    CYS  39           H        CYS  39   3.054  -4.495   0.808
    2    HA   CYS  39           HB1      CYS  39   0.544  -3.480   1.970
    3    HB2  CYS  39           HG2      CYS  39   1.035  -5.084  -0.541
    4    HB3  CYS  39           HG3      CYS  39  -0.565  -4.839   0.149

  No H/Q in entry =           4
  In of MODEL    9
    1    HB2  PRO  40           HG2      PRO  40  -0.829  -5.992   5.907
    2    HB3  PRO  40           HG3      PRO  40   0.667  -6.660   6.569
    3    HG2  PRO  40           HD2      PRO  40   0.315  -4.028   6.411
    4    HD2  PRO  40           HD3      PRO  40  -0.138  -3.662   4.180
    5    HG3  PRO  40           HD3      PRO  40   1.896  -4.757   6.068
    6    HD3  PRO  40           HXT      PRO  40   1.633  -3.629   4.077
    7    HA   PRO  40           HB1      PRO  40   1.487  -7.231   4.493

  No H/Q in entry =           7
  In of MODEL    9
    1    H    SER  41           H        SER  41  -0.172  -8.861   5.417
    2    HG   SER  41           HXT      SER  41   0.342 -11.021   5.565
    3    HA   SER  41           HB1      SER  41  -2.035  -9.489   3.255
    4    HB2  SER  41           HG2      SER  41  -2.170 -11.717   4.571
    5    HB3  SER  41           HG3      SER  41  -0.677 -11.348   3.707

  No H/Q in entry =           5
  In of MODEL    9
    1    H    TYR  42           H        TYR  42  -2.894  -7.393   4.812
    2    HD1  TYR  42           HD2      TYR  42  -1.760  -6.685   7.933
    3    HD2  TYR  42           HE1      TYR  42  -5.797  -7.467   9.023
    4    HE1  TYR  42           HE2      TYR  42  -1.009  -7.435  10.151
    5    HE2  TYR  42           HH       TYR  42  -5.058  -8.219  11.245
    6    HH   TYR  42           HXT      TYR  42  -2.674  -7.577  12.706
    7    HA   TYR  42           HB1      TYR  42  -4.935  -8.564   6.574
    8    HB2  TYR  42           HG2      TYR  42  -3.501  -5.959   6.530
    9    HB3  TYR  42           HG3      TYR  42  -5.170  -5.949   7.091

  No H/Q in entry =           9
  In of MODEL    9
    1    HB2  PRO  43           HG2      PRO  43  -9.188  -9.414   3.118
    2    HB3  PRO  43           HG3      PRO  43  -7.632  -9.661   2.317
    3    HG2  PRO  43           HD2      PRO  43  -8.445 -10.324   5.121
    4    HD2  PRO  43           HD3      PRO  43  -6.348  -9.868   5.963
    5    HG3  PRO  43           HD3      PRO  43  -7.502 -11.291   3.971
    6    HD3  PRO  43           HXT      PRO  43  -5.556 -10.130   4.396
    7    HA   PRO  43           HB1      PRO  43  -7.353  -7.436   2.820

  No H/Q in entry =           7
  In of MODEL    9
    1    H    GLY  44           H        GLY  44  -8.282  -8.051   6.143
    2    HA2  GLY  44           HA3      GLY  44 -10.922  -7.013   5.970
    3    HA3  GLY  44           HXT      GLY  44  -9.799  -5.749   6.448

  No H/Q in entry =           3
  In of MODEL   10
    1    H1   ALA   1           H1       ALA   1  11.288   4.795   4.351
    2    H2   ALA   1           H2       ALA   1  11.171   3.333   5.242
    3    H3   ALA   1           H3       ALA   1  11.151   4.838   6.061
    4    HA   ALA   1           HB1      ALA   1  13.252   4.076   6.396
    5    HB1  ALA   1           HB2      ALA   1  14.513   2.818   4.928
    6    HB2  ALA   1           HB3      ALA   1  13.695   3.465   3.505
    7    HB3  ALA   1           HXT      ALA   1  12.874   2.296   4.539

  No H/Q in entry =           7
  In of MODEL   10
    1    H    MET   2           H        MET   2  12.012   6.589   5.580
    2    HB2  MET   2           HG2      MET   2  15.447   7.684   5.238
    3    HB3  MET   2           HG3      MET   2  14.934   9.360   5.380
    4    HE1  MET   2           HE2      MET   2  15.167   9.533   9.447
    5    HE2  MET   2           HE3      MET   2  16.901   9.334   9.700
    6    HE3  MET   2           HXT      MET   2  16.312  10.307   8.352
    7    HA   MET   2           HB1      MET   2  12.613   8.723   5.078
    8    HG2  MET   2           HD2      MET   2  14.022   9.037   7.488
    9    HG3  MET   2           HD3      MET   2  13.920   7.289   7.281

  No H/Q in entry =           9
  In of MODEL   10
    1    H    ASP   3           H        ASP   3  12.159   6.816   2.936
    2    HA   ASP   3           HB1      ASP   3  13.555   8.264   0.803
    3    HB2  ASP   3           HG2      ASP   3  14.367   5.775   1.430
    4    HB3  ASP   3           HG3      ASP   3  13.059   5.379   0.319

  No H/Q in entry =           4
  In of MODEL   10
    1    H    CYS   4           H        CYS   4  12.497   7.355  -1.407
    2    HA   CYS   4           HB1      CYS   4   9.796   8.250  -1.315
    3    HB2  CYS   4           HG2      CYS   4  11.637   7.250  -3.446
    4    HB3  CYS   4           HG3      CYS   4   9.912   7.325  -3.788

  No H/Q in entry =           4
  In of MODEL   10
    1    H    THR   5           H        THR   5  11.345   5.111  -1.458
    2    HG1  THR   5          HG21      THR   5  10.289   4.514   1.063
    3   HG21  THR   5          HG22      THR   5   8.781   1.522  -0.076
    4   HG22  THR   5          HG23      THR   5   9.983   2.156   1.049
    5   HG23  THR   5           HXT      THR   5   8.266   2.264   1.439
    6    HA   THR   5           HB1      THR   5  10.547   2.990  -1.270
    7    HB   THR   5          HG12      THR   5   7.888   3.843  -0.286

  No H/Q in entry =           7
  In of MODEL   10
    1    H    THR   6           H        THR   6  10.358   2.357  -3.372
    2    HG1  THR   6          HG21      THR   6  10.749   0.656  -4.894
    3   HG21  THR   6          HG22      THR   6   9.285   4.003  -6.448
    4   HG22  THR   6          HG23      THR   6  10.991   3.554  -6.464
    5   HG23  THR   6           HXT      THR   6   9.910   2.956  -7.723
    6    HA   THR   6           HB1      THR   6   8.076   3.126  -4.966
    7    HB   THR   6          HG12      THR   6   9.241   1.250  -6.478

  No H/Q in entry =           7
  In of MODEL   10
    1    H    GLY   7           H        GLY   7   6.185   2.118  -4.942
    2    HA2  GLY   7           HA3      GLY   7   5.571  -0.098  -3.382
    3    HA3  GLY   7           HXT      GLY   7   5.918  -0.706  -4.994

  No H/Q in entry =           3
  In of MODEL   10
    1    HB2  PRO   8           HG2      PRO   8   0.124  -1.368  -4.421
    2    HB3  PRO   8           HG3      PRO   8   1.128  -2.089  -5.684
    3    HG2  PRO   8           HD2      PRO   8   1.652  -1.865  -2.745
    4    HD2  PRO   8           HD3      PRO   8   3.921  -1.599  -3.049
    5    HG3  PRO   8           HD3      PRO   8   1.916  -3.245  -3.827
    6    HD3  PRO   8           HXT      PRO   8   3.898  -2.392  -4.637
    7    HA   PRO   8           HB1      PRO   8   1.713   0.103  -6.055

  No H/Q in entry =           7
  In of MODEL   10
    1    H    CYS   9           H        CYS   9   2.356   0.489  -2.627
    2    HA   CYS   9           HB1      CYS   9   0.001   2.016  -2.074
    3    HB2  CYS   9           HG2      CYS   9   2.553   1.492  -0.565
    4    HB3  CYS   9           HG3      CYS   9   1.346   2.622   0.039

  No H/Q in entry =           4
  In of MODEL   10
    1    H    CYS  10           H        CYS  10   3.269   2.737  -3.083
    2    HA   CYS  10           HB1      CYS  10   2.755   5.614  -2.846
    3    HB2  CYS  10           HG2      CYS  10   5.357   4.336  -3.673
    4    HB3  CYS  10           HG3      CYS  10   5.095   5.954  -3.032

  No H/Q in entry =           4
  In of MODEL   10
    1    H    ARG  11           H        ARG  11   2.268   6.813  -4.563
    2    HB2  ARG  11           HG2      ARG  11   1.681   8.462  -6.174
    3    HB3  ARG  11           HG3      ARG  11   1.345   7.966  -7.827
    4    HG2  ARG  11           HD2      ARG  11  -0.027   6.506  -5.640
    5    HD2  ARG  11           HD3      ARG  11  -0.414   7.134  -8.493
    6    HG3  ARG  11           HD3      ARG  11  -0.555   8.150  -6.002
    7    HE   ARG  11          HH12      ARG  11  -2.600   7.500  -6.674
    8   HH11  ARG  11          HH21      ARG  11  -1.708   6.395  -9.862
    9   HH12  ARG  11          HH22      ARG  11  -3.280   6.671 -10.534
   10    HD3  ARG  11           HXT      ARG  11  -0.815   5.675  -7.587
   11   HH21  ARG  11           HXT      ARG  11  -4.668   7.862  -7.556
   12   HH22  ARG  11           H1       ARG  11  -4.961   7.504  -9.225
   13    HA   ARG  11           HB1      ARG  11   1.943   5.611  -7.132

  No H/Q in entry =          13
  In of MODEL   10
    1    H    GLN  12           H        GLN  12   3.677   8.633  -6.426
    2    HB2  GLN  12           HG2      GLN  12   4.997  10.604  -7.426
    3    HB3  GLN  12           HG3      GLN  12   6.167  10.219  -8.681
    4   HE21  GLN  12          HE22      GLN  12   4.041   9.566 -11.746
    5   HE22  GLN  12           HXT      GLN  12   4.547  11.094 -12.373
    6    HA   GLN  12           HB1      GLN  12   5.695   7.832  -8.412
    7    HG2  GLN  12           HD2      GLN  12   3.993   9.009  -9.691
    8    HG3  GLN  12           HD3      GLN  12   3.227  10.316  -8.791

  No H/Q in entry =           8
  In of MODEL   10
    1    H    CYS  13           H        CYS  13   5.193   8.839  -5.120
    2    HA   CYS  13           HB1      CYS  13   7.746   7.897  -4.312
    3    HB2  CYS  13           HG2      CYS  13   7.439  10.774  -4.891
    4    HB3  CYS  13           HG3      CYS  13   8.161  10.403  -3.329

  No H/Q in entry =           4
  In of MODEL   10
    1    H    LYS  14           H        LYS  14   5.024  10.019  -3.522
    2    HB2  LYS  14           HG2      LYS  14   3.215  10.856  -0.502
    3    HB3  LYS  14           HG3      LYS  14   4.409  11.662  -1.511
    4    HG2  LYS  14           HG3      LYS  14   2.610  11.995  -2.827
    5    HG3  LYS  14           HD2      LYS  14   3.040  10.388  -3.417
    6    HD2  LYS  14           HD3      LYS  14   0.884   9.918  -2.955
    7    HE2  LYS  14           HE3      LYS  14   1.040  12.395  -1.359
    8    HE3  LYS  14           HZ1      LYS  14  -0.182  11.864  -2.514
    9    HZ1  LYS  14           HZ2      LYS  14  -0.753  10.162  -0.676
   10    HZ2  LYS  14           HZ3      LYS  14   0.056  11.236   0.351
   11    HD3  LYS  14           HXT      LYS  14   1.480   9.744  -1.302
   12    HZ3  LYS  14           HXT      LYS  14  -1.297  11.756  -0.520
   13    HA   LYS  14           HB1      LYS  14   5.245   9.507  -0.695

  No H/Q in entry =          13
  In of MODEL   10
    1    H    LEU  15           H        LEU  15   4.257   7.965   0.453
    2   HD11  LEU  15          HD12      LEU  15   1.323   5.739   3.082
    3   HD12  LEU  15          HD13      LEU  15   1.765   7.114   4.094
    4   HD13  LEU  15          HD21      LEU  15   1.137   7.381   2.468
    5   HD21  LEU  15          HD22      LEU  15   5.009   5.780   3.103
    6   HD22  LEU  15          HD23      LEU  15   4.419   7.004   4.227
    7   HD23  LEU  15           HXT      LEU  15   3.657   5.415   4.174
    8    HG   LEU  15           HXT      LEU  15   3.445   7.694   2.260
    9    HA   LEU  15           HB1      LEU  15   2.967   5.805  -0.842
   10    HB2  LEU  15           HG2      LEU  15   2.562   4.956   1.436
   11    HB3  LEU  15           HG3      LEU  15   4.228   5.436   1.176

  No H/Q in entry =          11
  In of MODEL   10
    1    H    LYS  16           H        LYS  16   0.800   4.962  -0.156
    2    HB2  LYS  16           HG2      LYS  16  -1.145   4.053  -0.564
    3    HB3  LYS  16           HG3      LYS  16  -2.679   4.845  -0.229
    4    HG2  LYS  16           HG3      LYS  16  -2.779   5.824  -2.333
    5    HG3  LYS  16           HD2      LYS  16  -1.050   5.613  -2.618
    6    HD2  LYS  16           HD3      LYS  16  -1.675   3.060  -2.395
    7    HE2  LYS  16           HE3      LYS  16  -0.769   4.286  -4.400
    8    HE3  LYS  16           HZ1      LYS  16  -1.788   2.891  -4.751
    9    HZ1  LYS  16           HZ2      LYS  16  -3.661   4.602  -4.905
   10    HZ2  LYS  16           HZ3      LYS  16  -2.432   5.758  -5.031
   11    HD3  LYS  16           HXT      LYS  16  -3.274   3.646  -2.857
   12    HZ3  LYS  16           HXT      LYS  16  -2.555   4.527  -6.184
   13    HA   LYS  16           HB1      LYS  16  -1.170   7.026  -0.573

  No H/Q in entry =          13
  In of MODEL   10
    1    HB2  PRO  17           HG2      PRO  17  -5.287   7.567   3.285
    2    HB3  PRO  17           HG3      PRO  17  -4.328   8.970   2.803
    3    HG2  PRO  17           HD2      PRO  17  -5.407   6.743   1.125
    4    HD2  PRO  17           HD3      PRO  17  -3.581   6.748  -0.293
    5    HG3  PRO  17           HD3      PRO  17  -5.339   8.480   0.774
    6    HD3  PRO  17           HXT      PRO  17  -3.108   8.398   0.164
    7    HA   PRO  17           HB1      PRO  17  -2.557   7.730   3.541

  No H/Q in entry =           7
  In of MODEL   10
    1    H    ALA  18           H        ALA  18  -3.049   6.646   5.397
    2    HA   ALA  18           HB1      ALA  18  -3.036   3.835   5.376
    3    HB1  ALA  18           HB2      ALA  18  -3.980   5.491   7.697
    4    HB2  ALA  18           HB3      ALA  18  -2.280   5.403   7.234
    5    HB3  ALA  18           HXT      ALA  18  -3.138   3.941   7.720

  No H/Q in entry =           5
  In of MODEL   10
    1    H    GLY  19           H        GLY  19  -4.636   2.555   4.736
    2    HA2  GLY  19           HA3      GLY  19  -7.389   3.275   5.526
    3    HA3  GLY  19           HXT      GLY  19  -6.805   1.626   5.368

  No H/Q in entry =           3
  In of MODEL   10
    1    H    THR  20           H        THR  20  -5.329   2.406   2.866
    2    HG1  THR  20          HG21      THR  20  -7.539   4.791   1.080
    3   HG21  THR  20          HG22      THR  20  -6.207   2.738  -1.445
    4   HG22  THR  20          HG23      THR  20  -7.404   3.999  -1.152
    5   HG23  THR  20           HXT      THR  20  -5.731   4.435  -1.502
    6    HA   THR  20           HB1      THR  20  -7.670   2.416   1.077
    7    HB   THR  20          HG12      THR  20  -4.977   3.697   0.572

  No H/Q in entry =           7
  In of MODEL   10
    1    H    THR  21           H        THR  21  -7.573   1.102  -0.752
    2    HG1  THR  21          HG21      THR  21  -7.979   0.635  -3.072
    3   HG21  THR  21          HG22      THR  21  -7.847  -2.449  -0.666
    4   HG22  THR  21          HG23      THR  21  -9.225  -1.978  -1.662
    5   HG23  THR  21           HXT      THR  21  -7.984  -3.044  -2.321
    6    HA   THR  21           HB1      THR  21  -6.144  -1.313  -0.459
    7    HB   THR  21          HG12      THR  21  -6.937  -1.270  -3.105

  No H/Q in entry =           7
  In of MODEL   10
    1    H    CYS  22           H        CYS  22  -4.784  -2.249  -2.267
    2    HA   CYS  22           HB1      CYS  22  -3.176  -0.364  -3.752
    3    HB2  CYS  22           HG2      CYS  22  -1.033  -1.199  -2.754
    4    HB3  CYS  22           HG3      CYS  22  -2.010  -0.226  -1.660

  No H/Q in entry =           4
  In of MODEL   10
    1    H    TRP  23           H        TRP  23  -3.543  -3.718  -2.651
    2    HE1  TRP  23           HE3      TRP  23   0.027  -8.453  -6.120
    3    HE3  TRP  23           HZ2      TRP  23  -3.746  -8.884  -2.358
    4    HZ2  TRP  23           HZ3      TRP  23  -0.491 -11.132  -5.392
    5    HZ3  TRP  23           HH2      TRP  23  -3.515 -11.333  -2.389
    6    HH2  TRP  23           HXT      TRP  23  -1.921 -12.432  -3.876
    7    HA   TRP  23           HB1      TRP  23  -2.246  -4.751  -5.016
    8    HB2  TRP  23           HG2      TRP  23  -2.300  -5.759  -2.590
    9    HB3  TRP  23           HG3      TRP  23  -3.814  -6.472  -3.136
   10    HD1  TRP  23           HD2      TRP  23  -0.810  -6.104  -5.483

  No H/Q in entry =          10
  In of MODEL   10
    1    H    LYS  24           H        LYS  24  -5.412  -5.498  -3.602
    2    HB2  LYS  24           HG2      LYS  24  -6.880  -3.548  -5.332
    3    HB3  LYS  24           HG3      LYS  24  -6.798  -4.310  -6.914
    4    HG2  LYS  24           HG3      LYS  24  -9.112  -5.328  -6.154
    5    HG3  LYS  24           HD2      LYS  24  -9.126  -3.895  -5.123
    6    HD2  LYS  24           HD3      LYS  24  -8.596  -2.563  -7.219
    7    HE2  LYS  24           HE3      LYS  24 -11.151  -3.917  -6.583
    8    HE3  LYS  24           HZ1      LYS  24 -10.760  -2.198  -6.629
    9    HZ1  LYS  24           HZ2      LYS  24 -10.574  -2.647  -9.168
   10    HZ2  LYS  24           HZ3      LYS  24 -11.556  -3.980  -8.823
   11    HD3  LYS  24           HXT      LYS  24  -8.975  -4.029  -8.125
   12    HZ3  LYS  24           HXT      LYS  24 -12.093  -2.418  -8.460
   13    HA   LYS  24           HB1      LYS  24  -7.419  -6.014  -4.543

  No H/Q in entry =          13
  In of MODEL   10
    1    H    THR  25           H        THR  25  -6.861  -8.188  -4.972
    2    HG1  THR  25          HG21      THR  25  -5.465 -11.532  -7.333
    3   HG21  THR  25          HG22      THR  25  -5.070  -9.464  -4.679
    4   HG22  THR  25          HG23      THR  25  -5.008 -11.135  -5.239
    5   HG23  THR  25           HXT      THR  25  -3.579 -10.108  -5.366
    6    HA   THR  25           HB1      THR  25  -6.750  -8.791  -7.827
    7    HB   THR  25          HG12      THR  25  -4.425  -8.906  -7.127

  No H/Q in entry =           7
  In of MODEL   10
    1    H    SER  26           H        SER  26  -8.338 -10.150  -8.292
    2    HG   SER  26           HXT      SER  26  -8.805 -14.502  -8.156
    3    HA   SER  26           HB1      SER  26  -9.944 -11.750  -8.116
    4    HB2  SER  26           HG2      SER  26  -7.667 -12.964  -7.319
    5    HB3  SER  26           HG3      SER  26  -8.630 -13.145  -5.853

  No H/Q in entry =           5
  In of MODEL   10
    1    H    VAL  27           H        VAL  27 -10.118  -9.347  -6.490
    2    HB   VAL  27          HG12      VAL  27 -12.623 -11.248  -4.478
    3   HG11  VAL  27          HG12      VAL  27 -13.530  -8.492  -3.858
    4   HG12  VAL  27          HG13      VAL  27 -14.760  -9.690  -4.260
    5   HG13  VAL  27          HG21      VAL  27 -13.664  -9.971  -2.907
    6   HG21  VAL  27          HG22      VAL  27 -13.460  -9.309  -6.633
    7   HG22  VAL  27          HG23      VAL  27 -12.652 -10.858  -6.877
    8   HG23  VAL  27           HXT      VAL  27 -14.291 -10.811  -6.228
    9    HA   VAL  27           HB1      VAL  27 -11.590  -8.460  -4.992

  No H/Q in entry =           9
  In of MODEL   10
    1    H    SER  28           H        SER  28  -8.949  -9.442  -4.266
    2    HG   SER  28           HXT      SER  28  -6.833 -11.647  -0.728
    3    HA   SER  28           HB1      SER  28  -9.338  -9.486  -1.374
    4    HB2  SER  28           HG2      SER  28  -9.098 -11.869  -2.184
    5    HB3  SER  28           HG3      SER  28  -7.469 -11.450  -2.712

  No H/Q in entry =           5
  In of MODEL   10
    1    H    SER  29           H        SER  29  -8.490  -7.442  -1.196
    2    HG   SER  29           HXT      SER  29  -8.225  -5.388  -0.149
    3    HA   SER  29           HB1      SER  29  -5.820  -6.941  -2.283
    4    HB2  SER  29           HG2      SER  29  -6.344  -4.578  -1.325
    5    HB3  SER  29           HG3      SER  29  -7.192  -5.113  -2.775

  No H/Q in entry =           5
  In of MODEL   10
    1    H    HIS  30           H        HIS  30  -4.446  -5.478  -0.748
    2    HD1  HIS  30           HD2      HIS  30  -0.137  -7.731   1.277
    3    HD2  HIS  30           HE1      HIS  30  -3.854  -8.513  -0.407
    4    HE1  HIS  30           HE2      HIS  30  -0.017 -10.105   0.458
    5    HE2  HIS  30           HXT      HIS  30  -2.307 -10.585  -0.478
    6    HA   HIS  30           HB1      HIS  30  -4.316  -6.873   1.837
    7    HB2  HIS  30           HG2      HIS  30  -2.205  -5.584   0.120
    8    HB3  HIS  30           HG3      HIS  30  -1.914  -5.957   1.816

  No H/Q in entry =           8
  In of MODEL   10
    1    H    TYR  31           H        TYR  31  -4.621  -3.767   0.325
    2    HD1  TYR  31           HD2      TYR  31  -7.402  -0.232   2.654
    3    HD2  TYR  31           HE1      TYR  31  -7.482  -4.409   1.849
    4    HE1  TYR  31           HE2      TYR  31  -9.636   0.009   1.656
    5    HE2  TYR  31           HH       TYR  31  -9.716  -4.179   0.848
    6    HH   TYR  31           HXT      TYR  31 -11.020  -2.159  -0.301
    7    HA   TYR  31           HB1      TYR  31  -5.054  -1.692   1.142
    8    HB2  TYR  31           HG2      TYR  31  -5.866  -3.443   3.425
    9    HB3  TYR  31           HG3      TYR  31  -5.792  -1.703   3.675

  No H/Q in entry =           9
  In of MODEL   10
    1    H    CYS  32           H        CYS  32  -3.990   0.016   2.119
    2    HA   CYS  32           HB1      CYS  32  -1.438  -0.698   3.386
    3    HB2  CYS  32           HG2      CYS  32  -1.944   0.941   1.232
    4    HB3  CYS  32           HG3      CYS  32  -1.784   2.092   2.554

  No H/Q in entry =           4
  In of MODEL   10
    1    H    THR  33           H        THR  33  -0.673   0.527   5.182
    2    HG1  THR  33          HG21      THR  33   0.454   0.255   7.078
    3   HG21  THR  33          HG22      THR  33  -2.611  -0.880   6.948
    4   HG22  THR  33          HG23      THR  33  -0.974  -1.446   7.279
    5   HG23  THR  33           HXT      THR  33  -2.118  -1.231   8.605
    6    HA   THR  33           HB1      THR  33  -2.856   1.677   6.788
    7    HB   THR  33          HG12      THR  33  -1.725   0.955   8.753

  No H/Q in entry =           7
  In of MODEL   10
    1    H    GLY  34           H        GLY  34  -0.968   2.981   4.784
    2    HA2  GLY  34           HA3      GLY  34  -0.727   5.470   5.959
    3    HA3  GLY  34           HXT      GLY  34   0.229   4.931   4.588

  No H/Q in entry =           3
  In of MODEL   10
    1    H    ARG  35           H        ARG  35   1.394   2.735   6.275
    2    HB2  ARG  35           HG2      ARG  35   1.922   2.681   9.196
    3    HB3  ARG  35           HG3      ARG  35   2.571   1.426   8.149
    4    HG2  ARG  35           HD2      ARG  35   3.838   1.345  10.127
    5    HD2  ARG  35           HD3      ARG  35   5.171   3.650  10.567
    6    HG3  ARG  35           HD3      ARG  35   4.865   2.135   8.928
    7    HE   ARG  35          HH12      ARG  35   2.921   2.429  11.852
    8   HH11  ARG  35          HH21      ARG  35   5.041   5.201  11.882
    9   HH12  ARG  35          HH22      ARG  35   4.786   5.535  13.561
   10    HD3  ARG  35           HXT      ARG  35   3.627   4.281   9.994
   11   HH21  ARG  35           HXT      ARG  35   2.585   2.867  14.062
   12   HH22  ARG  35           H1       ARG  35   3.392   4.210  14.799
   13    HA   ARG  35           HB1      ARG  35   3.177   4.382   7.944

  No H/Q in entry =          13
  In of MODEL   10
    1    H    SER  36           H        SER  36   3.016   1.929   5.447
    2    HG   SER  36           HXT      SER  36   6.972  -0.766   4.563
    3    HA   SER  36           HB1      SER  36   5.770   2.530   4.714
    4    HB2  SER  36           HG2      SER  36   5.748   0.517   6.279
    5    HB3  SER  36           HG3      SER  36   4.899  -0.347   4.996

  No H/Q in entry =           5
  In of MODEL   10
    1    H    CYS  37           H        CYS  37   6.323   1.255   2.625
    2    HA   CYS  37           HB1      CYS  37   4.076   1.656   0.800
    3    HB2  CYS  37           HG2      CYS  37   6.515   2.617   0.545
    4    HB3  CYS  37           HG3      CYS  37   6.846   1.029  -0.137

  No H/Q in entry =           4
  In of MODEL   10
    1    H    GLU  38           H        GLU  38   4.915  -0.822   2.572
    2    HB2  GLU  38           HG2      GLU  38   6.731  -2.785   1.939
    3    HB3  GLU  38           HG3      GLU  38   5.659  -3.486   3.143
    4    HA   GLU  38           HB1      GLU  38   4.624  -2.803   0.410
    5    HG2  GLU  38           HD2      GLU  38   5.995  -4.664   0.404
    6    HG3  GLU  38           HD3      GLU  38   7.035  -5.093   1.761

  No H/Q in entry =           6
  In of MODEL   10
    1    H    CYS  39           H        CYS  39   2.534  -3.328   0.283
    2    HA   CYS  39           HB1      CYS  39   0.633  -3.107   2.308
    3    HB2  CYS  39           HG2      CYS  39   0.510  -5.074   0.020
    4    HB3  CYS  39           HG3      CYS  39  -0.843  -4.347   0.881

  No H/Q in entry =           4
  In of MODEL   10
    1    HB2  PRO  40           HG2      PRO  40   0.450  -6.206   6.853
    2    HB3  PRO  40           HG3      PRO  40   1.954  -5.316   6.593
    3    HG2  PRO  40           HD2      PRO  40  -0.860  -4.500   5.977
    4    HD2  PRO  40           HD3      PRO  40  -0.230  -3.321   4.098
    5    HG3  PRO  40           HD3      PRO  40   0.447  -3.548   6.706
    6    HD3  PRO  40           HXT      PRO  40   1.438  -3.115   4.669
    7    HA   PRO  40           HB1      PRO  40   2.080  -6.649   4.725

  No H/Q in entry =           7
  In of MODEL   10
    1    H    SER  41           H        SER  41   0.893  -8.455   5.883
    2    HG   SER  41           HXT      SER  41  -1.638 -11.907   6.141
    3    HA   SER  41           HB1      SER  41  -1.215  -9.411   4.141
    4    HB2  SER  41           HG2      SER  41   0.610 -10.928   4.767
    5    HB3  SER  41           HG3      SER  41   0.178 -10.758   6.469

  No H/Q in entry =           5
  In of MODEL   10
    1    H    TYR  42           H        TYR  42  -2.384  -7.393   5.259
    2    HD1  TYR  42           HD2      TYR  42  -3.593  -9.095   9.353
    3    HD2  TYR  42           HE1      TYR  42  -0.885  -5.913   8.554
    4    HE1  TYR  42           HE2      TYR  42  -1.929 -10.150  10.824
    5    HE2  TYR  42           HH       TYR  42   0.787  -6.959  10.023
    6    HH   TYR  42           HXT      TYR  42   0.746  -8.574  12.002
    7    HA   TYR  42           HB1      TYR  42  -4.234  -8.593   7.182
    8    HB2  TYR  42           HG2      TYR  42  -2.950  -5.878   7.549
    9    HB3  TYR  42           HG3      TYR  42  -4.244  -6.534   8.546

  No H/Q in entry =           9
  In of MODEL   10
    1    HB2  PRO  43           HG2      PRO  43  -8.565  -8.279   3.740
    2    HB3  PRO  43           HG3      PRO  43  -7.048  -8.551   2.875
    3    HG2  PRO  43           HD2      PRO  43  -7.937  -9.625   5.525
    4    HD2  PRO  43           HD3      PRO  43  -5.803  -9.576   6.394
    5    HG3  PRO  43           HD3      PRO  43  -7.113 -10.464   4.197
    6    HD3  PRO  43           HXT      PRO  43  -5.044  -9.636   4.790
    7    HA   PRO  43           HB1      PRO  43  -6.512  -6.504   3.774

  No H/Q in entry =           7
  In of MODEL   10
    1    H    GLY  44           H        GLY  44  -9.086  -6.172   3.754
    2    HA2  GLY  44           HA3      GLY  44  -9.978  -4.270   5.245
    3    HA3  GLY  44           HXT      GLY  44  -9.966  -5.515   6.486

  No H/Q in entry =           3
  In of MODEL   11
    1    H1   ALA   1           H1       ALA   1  18.116   7.517   1.184
    2    H2   ALA   1           H2       ALA   1  18.466   8.052   2.777
    3    H3   ALA   1           H3       ALA   1  19.724   7.932   1.619
    4    HA   ALA   1           HB1      ALA   1  19.677   5.653   1.606
    5    HB1  ALA   1           HB2      ALA   1  20.606   6.865   3.662
    6    HB2  ALA   1           HB3      ALA   1  20.313   5.131   3.792
    7    HB3  ALA   1           HXT      ALA   1  19.169   6.274   4.497

  No H/Q in entry =           7
  In of MODEL   11
    1    H    MET   2           H        MET   2  17.017   6.786   3.692
    2    HB2  MET   2           HG2      MET   2  14.487   4.326   5.077
    3    HB3  MET   2           HG3      MET   2  16.093   3.678   4.771
    4    HE1  MET   2           HE2      MET   2  13.923   4.261   7.269
    5    HE2  MET   2           HE3      MET   2  14.761   2.751   6.913
    6    HE3  MET   2           HXT      MET   2  14.551   3.269   8.586
    7    HA   MET   2           HB1      MET   2  15.391   4.556   2.702
    8    HG2  MET   2           HD2      MET   2  17.024   5.823   5.673
    9    HG3  MET   2           HD3      MET   2  15.384   6.243   6.165

  No H/Q in entry =           9
  In of MODEL   11
    1    H    ASP   3           H        ASP   3  14.443   6.251   1.408
    2    HA   ASP   3           HB1      ASP   3  12.306   7.617   2.852
    3    HB2  ASP   3           HG2      ASP   3  14.012   9.098   0.845
    4    HB3  ASP   3           HG3      ASP   3  12.723   9.756   1.848

  No H/Q in entry =           4
  In of MODEL   11
    1    H    CYS   4           H        CYS   4  10.656   8.510   1.346
    2    HA   CYS   4           HB1      CYS   4   9.178   8.286  -0.361
    3    HB2  CYS   4           HG2      CYS   4  11.705   7.486  -1.774
    4    HB3  CYS   4           HG3      CYS   4  10.149   7.414  -2.591

  No H/Q in entry =           4
  In of MODEL   11
    1    H    THR   5           H        THR   5  11.315   5.486  -0.817
    2    HG1  THR   5          HG21      THR   5  11.127   3.093   1.577
    3   HG21  THR   5          HG22      THR   5   8.397   1.742  -0.139
    4   HG22  THR   5          HG23      THR   5   9.830   1.336   0.806
    5   HG23  THR   5           HXT      THR   5   8.345   1.827   1.622
    6    HA   THR   5           HB1      THR   5  10.919   3.246  -0.816
    7    HB   THR   5          HG12      THR   5   8.549   4.045   0.885

  No H/Q in entry =           7
  In of MODEL   11
    1    H    THR   6           H        THR   6   9.858   1.717  -2.060
    2    HG1  THR   6          HG21      THR   6  10.355  -0.172  -4.730
    3   HG21  THR   6          HG22      THR   6   9.137   3.295  -5.458
    4   HG22  THR   6          HG23      THR   6  10.734   2.599  -5.185
    5   HG23  THR   6           HXT      THR   6   9.742   2.030  -6.528
    6    HA   THR   6           HB1      THR   6   7.773   2.805  -3.821
    7    HB   THR   6          HG12      THR   6   8.473   0.715  -5.219

  No H/Q in entry =           7
  In of MODEL   11
    1    H    GLY   7           H        GLY   7   6.051   1.378  -4.520
    2    HA2  GLY   7           HA3      GLY   7   5.034  -0.181  -2.296
    3    HA3  GLY   7           HXT      GLY   7   5.362  -1.103  -3.756

  No H/Q in entry =           3
  In of MODEL   11
    1    HB2  PRO   8           HG2      PRO   8   0.166  -1.550  -3.284
    2    HB3  PRO   8           HG3      PRO   8  -0.038  -1.856  -5.013
    3    HG2  PRO   8           HD2      PRO   8   1.386  -3.521  -3.502
    4    HD2  PRO   8           HD3      PRO   8   2.988  -2.169  -2.544
    5    HG3  PRO   8           HD3      PRO   8   1.900  -3.123  -5.153
    6    HD3  PRO   8           HXT      PRO   8   3.836  -2.509  -4.066
    7    HA   PRO   8           HB1      PRO   8   1.477  -0.229  -5.615

  No H/Q in entry =           7
  In of MODEL   11
    1    H    CYS   9           H        CYS   9   1.937   0.557  -2.241
    2    HA   CYS   9           HB1      CYS   9  -0.367   2.279  -2.085
    3    HB2  CYS   9           HG2      CYS   9   0.953   0.968  -0.187
    4    HB3  CYS   9           HG3      CYS   9   1.866   2.471  -0.117

  No H/Q in entry =           4
  In of MODEL   11
    1    H    CYS  10           H        CYS  10   3.077   2.634  -2.663
    2    HA   CYS  10           HB1      CYS  10   2.720   5.545  -2.911
    3    HB2  CYS  10           HG2      CYS  10   5.361   4.095  -2.805
    4    HB3  CYS  10           HG3      CYS  10   5.046   5.803  -2.521

  No H/Q in entry =           4
  In of MODEL   11
    1    H    ARG  11           H        ARG  11   2.717   6.430  -4.866
    2    HB2  ARG  11           HG2      ARG  11   1.403   6.602  -7.134
    3    HB3  ARG  11           HG3      ARG  11   2.671   7.802  -6.921
    4    HG2  ARG  11           HD2      ARG  11   3.574   7.214  -9.130
    5    HD2  ARG  11           HD3      ARG  11   1.889   9.015  -8.872
    6    HG3  ARG  11           HD3      ARG  11   2.256   6.060  -9.342
    7    HE   ARG  11          HH12      ARG  11  -0.004   6.871  -9.052
    8   HH11  ARG  11          HH21      ARG  11   0.517  10.261  -9.699
    9   HH12  ARG  11          HH22      ARG  11  -1.167  10.660  -9.634
   10    HD3  ARG  11           HXT      ARG  11   1.865   8.246 -10.458
   11   HH21  ARG  11           HXT      ARG  11  -2.219   7.394  -8.967
   12   HH22  ARG  11           H1       ARG  11  -2.720   9.033  -9.218
   13    HA   ARG  11           HB1      ARG  11   3.081   4.820  -7.203

  No H/Q in entry =          13
  In of MODEL   11
    1    H    GLN  12           H        GLN  12   4.593   7.956  -6.454
    2    HB2  GLN  12           HG2      GLN  12   5.812   8.891  -8.761
    3    HB3  GLN  12           HG3      GLN  12   6.364   9.848  -7.394
    4   HE21  GLN  12          HE22      GLN  12   9.303  10.100 -10.627
    5   HE22  GLN  12           HXT      GLN  12   8.972  11.794 -10.553
    6    HA   GLN  12           HB1      GLN  12   7.076   6.937  -7.669
    7    HG2  GLN  12           HD2      GLN  12   8.713   9.016  -8.038
    8    HG3  GLN  12           HD3      GLN  12   7.969   8.586  -9.578

  No H/Q in entry =           8
  In of MODEL   11
    1    H    CYS  13           H        CYS  13   5.655   8.423  -4.875
    2    HA   CYS  13           HB1      CYS  13   7.841   7.787  -3.217
    3    HB2  CYS  13           HG2      CYS  13   8.937   9.666  -4.316
    4    HB3  CYS  13           HG3      CYS  13   7.569  10.710  -3.949

  No H/Q in entry =           4
  In of MODEL   11
    1    H    LYS  14           H        LYS  14   5.053   9.897  -3.717
    2    HB2  LYS  14           HG2      LYS  14   2.870  10.367  -3.592
    3    HB3  LYS  14           HG3      LYS  14   1.994  10.490  -2.072
    4    HG2  LYS  14           HG3      LYS  14   3.006  12.547  -1.535
    5    HG3  LYS  14           HD2      LYS  14   4.230  12.359  -2.793
    6    HD2  LYS  14           HD3      LYS  14   2.850  13.744  -3.933
    7    HE2  LYS  14           HE3      LYS  14   0.282  12.693  -2.876
    8    HE3  LYS  14           HZ1      LYS  14   1.284  13.664  -1.798
    9    HZ1  LYS  14           HZ2      LYS  14   0.862  14.724  -4.474
   10    HZ2  LYS  14           HZ3      LYS  14  -0.490  14.712  -3.458
   11    HD3  LYS  14           HXT      LYS  14   2.009  12.237  -4.300
   12    HZ3  LYS  14           HXT      LYS  14   0.914  15.528  -2.987
   13    HA   LYS  14           HB1      LYS  14   4.434  10.433  -1.049

  No H/Q in entry =          13
  In of MODEL   11
    1    H    LEU  15           H        LEU  15   2.305   9.611  -0.025
    2   HD11  LEU  15          HD12      LEU  15   3.721   6.624   3.808
    3   HD12  LEU  15          HD13      LEU  15   2.128   6.022   4.268
    4   HD13  LEU  15          HD21      LEU  15   3.406   4.888   3.829
    5   HD21  LEU  15          HD22      LEU  15   0.415   5.753   2.391
    6   HD22  LEU  15          HD23      LEU  15   1.056   5.013   0.924
    7   HD23  LEU  15           HXT      LEU  15   1.281   4.219   2.483
    8    HG   LEU  15           HXT      LEU  15   3.292   5.438   1.570
    9    HA   LEU  15           HB1      LEU  15   2.146   6.684  -0.294
   10    HB2  LEU  15           HG2      LEU  15   3.356   7.856   1.801
   11    HB3  LEU  15           HG3      LEU  15   1.703   7.871   2.384

  No H/Q in entry =          11
  In of MODEL   11
    1    H    LYS  16           H        LYS  16   0.152   5.939  -0.599
    2    HB2  LYS  16           HG2      LYS  16  -1.633   4.660  -0.741
    3    HB3  LYS  16           HG3      LYS  16  -3.280   5.241  -0.540
    4    HG2  LYS  16           HG3      LYS  16  -3.264   6.259  -2.696
    5    HG3  LYS  16           HD2      LYS  16  -1.537   5.950  -2.886
    6    HD2  LYS  16           HD3      LYS  16  -2.205   3.462  -2.579
    7    HE2  LYS  16           HE3      LYS  16  -1.446   4.658  -4.700
    8    HE3  LYS  16           HZ1      LYS  16  -2.366   3.167  -4.895
    9    HZ1  LYS  16           HZ2      LYS  16  -3.676   5.818  -4.938
   10    HZ2  LYS  16           HZ3      LYS  16  -3.015   5.131  -6.336
   11    HD3  LYS  16           HXT      LYS  16  -3.828   4.024  -2.983
   12    HZ3  LYS  16           HXT      LYS  16  -4.268   4.344  -5.518
   13    HA   LYS  16           HB1      LYS  16  -2.070   7.597  -0.911

  No H/Q in entry =          13
  In of MODEL   11
    1    HB2  PRO  17           HG2      PRO  17  -6.480   7.748   2.682
    2    HB3  PRO  17           HG3      PRO  17  -5.644   9.197   2.114
    3    HG2  PRO  17           HD2      PRO  17  -6.381   6.719   0.604
    4    HD2  PRO  17           HD3      PRO  17  -4.494   6.820  -0.720
    5    HG3  PRO  17           HD3      PRO  17  -6.511   8.416   0.103
    6    HD3  PRO  17           HXT      PRO  17  -4.270   8.558  -0.437
    7    HA   PRO  17           HB1      PRO  17  -3.823   8.193   3.082

  No H/Q in entry =           7
  In of MODEL   11
    1    H    ALA  18           H        ALA  18  -4.351   7.120   4.941
    2    HA   ALA  18           HB1      ALA  18  -3.951   4.359   5.087
    3    HB1  ALA  18           HB2      ALA  18  -3.709   6.079   6.937
    4    HB2  ALA  18           HB3      ALA  18  -5.454   5.941   7.154
    5    HB3  ALA  18           HXT      ALA  18  -4.422   4.530   7.389

  No H/Q in entry =           5
  In of MODEL   11
    1    H    GLY  19           H        GLY  19  -5.470   2.712   5.878
    2    HA2  GLY  19           HA3      GLY  19  -8.254   2.989   5.833
    3    HA3  GLY  19           HXT      GLY  19  -7.387   1.473   5.642

  No H/Q in entry =           3
  In of MODEL   11
    1    H    THR  20           H        THR  20  -5.999   2.630   3.224
    2    HG1  THR  20          HG21      THR  20  -8.337   4.752   1.514
    3   HG21  THR  20          HG22      THR  20  -7.059   2.881  -1.072
    4   HG22  THR  20          HG23      THR  20  -8.086   4.284  -0.777
    5   HG23  THR  20           HXT      THR  20  -6.376   4.505  -1.149
    6    HA   THR  20           HB1      THR  20  -8.257   2.363   1.349
    7    HB   THR  20          HG12      THR  20  -5.696   3.916   0.933

  No H/Q in entry =           7
  In of MODEL   11
    1    H    THR  21           H        THR  21  -8.150   0.769  -0.109
    2    HG1  THR  21          HG21      THR  21  -6.438  -2.229  -2.678
    3   HG21  THR  21          HG22      THR  21  -7.848   0.575  -2.522
    4   HG22  THR  21          HG23      THR  21  -7.998  -0.836  -3.569
    5   HG23  THR  21           HXT      THR  21  -9.336  -0.371  -2.517
    6    HA   THR  21           HB1      THR  21  -6.266  -1.282   0.077
    7    HB   THR  21          HG12      THR  21  -8.519  -1.581  -0.864

  No H/Q in entry =           7
  In of MODEL   11
    1    H    CYS  22           H        CYS  22  -4.579  -1.943  -1.283
    2    HA   CYS  22           HB1      CYS  22  -3.475   0.170  -3.014
    3    HB2  CYS  22           HG2      CYS  22  -1.226  -0.495  -2.312
    4    HB3  CYS  22           HG3      CYS  22  -2.191   0.007  -0.928

  No H/Q in entry =           4
  In of MODEL   11
    1    H    TRP  23           H        TRP  23  -3.655  -3.304  -2.368
    2    HE1  TRP  23           HE3      TRP  23  -2.046  -8.114  -7.165
    3    HE3  TRP  23           HZ2      TRP  23  -2.070  -7.959  -1.821
    4    HZ2  TRP  23           HZ3      TRP  23  -1.035 -10.477  -5.998
    5    HZ3  TRP  23           HH2      TRP  23  -1.110 -10.223  -1.740
    6    HH2  TRP  23           HXT      TRP  23  -0.604 -11.455  -3.786
    7    HA   TRP  23           HB1      TRP  23  -2.418  -4.019  -4.857
    8    HB2  TRP  23           HG2      TRP  23  -2.385  -5.407  -2.727
    9    HB3  TRP  23           HG3      TRP  23  -4.059  -5.822  -3.082
   10    HD1  TRP  23           HD2      TRP  23  -2.999  -5.854  -6.387

  No H/Q in entry =          10
  In of MODEL   11
    1    H    LYS  24           H        LYS  24  -5.657  -4.750  -3.600
    2    HB2  LYS  24           HG2      LYS  24  -7.283  -2.574  -5.175
    3    HB3  LYS  24           HG3      LYS  24  -6.469  -3.068  -6.653
    4    HG2  LYS  24           HG3      LYS  24  -8.405  -3.568  -7.720
    5    HG3  LYS  24           HD2      LYS  24  -9.225  -4.063  -6.237
    6    HD2  LYS  24           HD3      LYS  24  -9.457  -1.734  -5.568
    7    HE2  LYS  24           HE3      LYS  24 -10.358  -2.221  -8.403
    8    HE3  LYS  24           HZ1      LYS  24 -11.235  -2.663  -6.939
    9    HZ1  LYS  24           HZ2      LYS  24 -10.514   0.127  -7.649
   10    HZ2  LYS  24           HZ3      LYS  24 -12.008  -0.579  -8.010
   11    HD3  LYS  24           HXT      LYS  24  -8.588  -1.217  -7.014
   12    HZ3  LYS  24           HXT      LYS  24 -11.534  -0.379  -6.398
   13    HA   LYS  24           HB1      LYS  24  -7.685  -4.942  -4.614

  No H/Q in entry =          13
  In of MODEL   11
    1    H    THR  25           H        THR  25  -7.132  -7.180  -5.023
    2    HG1  THR  25          HG21      THR  25  -4.558  -8.911  -4.982
    3   HG21  THR  25          HG22      THR  25  -5.150  -9.046  -8.551
    4   HG22  THR  25          HG23      THR  25  -4.045  -9.889  -7.464
    5   HG23  THR  25           HXT      THR  25  -5.565 -10.647  -7.938
    6    HA   THR  25           HB1      THR  25  -6.710  -7.735  -7.887
    7    HB   THR  25          HG12      THR  25  -6.173  -9.872  -5.900

  No H/Q in entry =           7
  In of MODEL   11
    1    H    SER  26           H        SER  26  -7.594 -10.001  -8.463
    2    HG   SER  26           HXT      SER  26 -10.839  -9.455 -10.108
    3    HA   SER  26           HB1      SER  26 -10.383 -10.039  -7.625
    4    HB2  SER  26           HG2      SER  26  -8.963 -11.547  -9.834
    5    HB3  SER  26           HG3      SER  26 -10.701 -11.580  -9.534

  No H/Q in entry =           5
  In of MODEL   11
    1    H    VAL  27           H        VAL  27  -9.231 -10.829  -5.483
    2    HB   VAL  27          HG12      VAL  27  -8.126 -14.103  -6.331
    3   HG11  VAL  27          HG12      VAL  27  -6.809 -12.035  -5.624
    4   HG12  VAL  27          HG13      VAL  27  -6.394 -12.943  -4.170
    5   HG13  VAL  27          HG21      VAL  27  -5.921 -13.553  -5.755
    6   HG21  VAL  27          HG22      VAL  27  -8.967 -15.204  -4.031
    7   HG22  VAL  27          HG23      VAL  27  -7.658 -15.874  -5.005
    8   HG23  VAL  27           HXT      VAL  27  -7.289 -14.868  -3.604
    9    HA   VAL  27           HB1      VAL  27 -10.095 -13.448  -5.018

  No H/Q in entry =           9
  In of MODEL   11
    1    H    SER  28           H        SER  28  -7.837 -10.915  -4.074
    2    HG   SER  28           HXT      SER  28  -7.033 -11.145   0.710
    3    HA   SER  28           HB1      SER  28  -8.982 -10.694  -1.480
    4    HB2  SER  28           HG2      SER  28  -7.222 -12.742  -1.559
    5    HB3  SER  28           HG3      SER  28  -6.120 -11.413  -1.200

  No H/Q in entry =           5
  In of MODEL   11
    1    H    SER  29           H        SER  29  -8.861  -8.608  -1.003
    2    HG   SER  29           HXT      SER  29 -10.247  -7.011  -1.095
    3    HA   SER  29           HB1      SER  29  -6.805  -6.976  -2.296
    4    HB2  SER  29           HG2      SER  29  -8.256  -5.060  -1.477
    5    HB3  SER  29           HG3      SER  29  -9.007  -6.130  -2.660

  No H/Q in entry =           5
  In of MODEL   11
    1    H    HIS  30           H        HIS  30  -5.724  -5.291  -1.070
    2    HD1  HIS  30           HD2      HIS  30  -1.728  -7.352   2.028
    3    HD2  HIS  30           HE1      HIS  30  -4.682  -8.029  -0.814
    4    HE1  HIS  30           HE2      HIS  30  -1.640  -9.818   1.540
    5    HE2  HIS  30           HXT      HIS  30  -3.494 -10.218  -0.118
    6    HA   HIS  30           HB1      HIS  30  -5.425  -5.955   1.785
    7    HB2  HIS  30           HG2      HIS  30  -3.265  -5.258  -0.211
    8    HB3  HIS  30           HG3      HIS  30  -3.010  -5.300   1.531

  No H/Q in entry =           8
  In of MODEL   11
    1    H    TYR  31           H        TYR  31  -5.962  -4.319   3.055
    2    HD1  TYR  31           HD2      TYR  31  -8.074  -3.195   1.614
    3    HD2  TYR  31           HE1      TYR  31  -9.113  -0.658   4.867
    4    HE1  TYR  31           HE2      TYR  31 -10.315  -2.893   0.652
    5    HE2  TYR  31           HH       TYR  31 -11.360  -0.350   3.915
    6    HH   TYR  31           HXT      TYR  31 -12.157  -1.281   0.745
    7    HA   TYR  31           HB1      TYR  31  -6.257  -1.657   1.970
    8    HB2  TYR  31           HG2      TYR  31  -7.058  -3.050   4.469
    9    HB3  TYR  31           HG3      TYR  31  -6.856  -1.303   4.555

  No H/Q in entry =           9
  In of MODEL   11
    1    H    CYS  32           H        CYS  32  -4.709  -0.189   1.963
    2    HA   CYS  32           HB1      CYS  32  -2.257  -0.588   3.397
    3    HB2  CYS  32           HG2      CYS  32  -2.664   0.544   1.074
    4    HB3  CYS  32           HG3      CYS  32  -2.972   1.987   2.035

  No H/Q in entry =           4
  In of MODEL   11
    1    H    THR  33           H        THR  33  -1.514   0.439   5.193
    2    HG1  THR  33          HG21      THR  33  -0.117   0.517   6.934
    3   HG21  THR  33          HG22      THR  33  -3.098  -0.605   7.109
    4   HG22  THR  33          HG23      THR  33  -1.439  -1.080   7.473
    5   HG23  THR  33           HXT      THR  33  -2.559  -0.711   8.785
    6    HA   THR  33           HB1      THR  33  -3.490   1.926   6.741
    7    HB   THR  33          HG12      THR  33  -2.157   1.465   8.656

  No H/Q in entry =           7
  In of MODEL   11
    1    H    GLY  34           H        GLY  34  -1.688   2.956   4.429
    2    HA2  GLY  34           HA3      GLY  34  -1.514   5.600   5.171
    3    HA3  GLY  34           HXT      GLY  34  -0.525   4.870   3.917

  No H/Q in entry =           3
  In of MODEL   11
    1    H    ARG  35           H        ARG  35   0.698   3.029   5.943
    2    HB2  ARG  35           HG2      ARG  35   1.126   2.717   8.375
    3    HB3  ARG  35           HG3      ARG  35   2.647   2.016   7.840
    4    HG2  ARG  35           HD2      ARG  35   2.359   4.289   9.794
    5    HD2  ARG  35           HD3      ARG  35   4.737   2.802   8.713
    6    HG3  ARG  35           HD3      ARG  35   2.697   2.607  10.207
    7    HE   ARG  35          HH12      ARG  35   5.320   4.654  10.798
    8   HH11  ARG  35          HH21      ARG  35   4.390   1.349  10.176
    9   HH12  ARG  35          HH22      ARG  35   5.070   0.748  11.651
   10    HD3  ARG  35           HXT      ARG  35   4.440   4.540   8.699
   11   HH21  ARG  35           HXT      ARG  35   6.216   3.866  12.738
   12   HH22  ARG  35           H1       ARG  35   6.107   2.177  13.106
   13    HA   ARG  35           HB1      ARG  35   2.301   4.946   7.479

  No H/Q in entry =          13
  In of MODEL   11
    1    H    SER  36           H        SER  36   2.530   2.400   5.074
    2    HG   SER  36           HXT      SER  36   7.313   1.034   4.642
    3    HA   SER  36           HB1      SER  36   5.041   3.447   4.139
    4    HB2  SER  36           HG2      SER  36   5.928   2.048   5.888
    5    HB3  SER  36           HG3      SER  36   4.914   0.695   5.387

  No H/Q in entry =           5
  In of MODEL   11
    1    H    CYS  37           H        CYS  37   5.830   2.200   2.207
    2    HA   CYS  37           HB1      CYS  37   3.641   1.749   0.437
    3    HB2  CYS  37           HG2      CYS  37   6.517   1.047  -0.126
    4    HB3  CYS  37           HG3      CYS  37   5.265   1.508  -1.275

  No H/Q in entry =           4
  In of MODEL   11
    1    H    GLU  38           H        GLU  38   5.727  -0.297   2.329
    2    HB2  GLU  38           HG2      GLU  38   7.086  -2.152   2.643
    3    HB3  GLU  38           HG3      GLU  38   5.903  -2.595   3.865
    4    HA   GLU  38           HB1      GLU  38   5.199  -2.725   0.949
    5    HG2  GLU  38           HD2      GLU  38   5.653  -4.791   2.646
    6    HG3  GLU  38           HD3      GLU  38   7.072  -4.325   1.709

  No H/Q in entry =           6
  In of MODEL   11
    1    H    CYS  39           H        CYS  39   2.965  -2.863   0.653
    2    HA   CYS  39           HB1      CYS  39   1.022  -2.570   2.639
    3    HB2  CYS  39           HG2      CYS  39   1.009  -4.258   0.132
    4    HB3  CYS  39           HG3      CYS  39  -0.412  -3.970   1.130

  No H/Q in entry =           4
  In of MODEL   11
    1    HB2  PRO  40           HG2      PRO  40  -1.131  -6.535   5.953
    2    HB3  PRO  40           HG3      PRO  40  -0.106  -5.235   6.573
    3    HG2  PRO  40           HD2      PRO  40  -2.201  -5.141   4.435
    4    HD2  PRO  40           HD3      PRO  40  -1.052  -3.558   3.214
    5    HG3  PRO  40           HD3      PRO  40  -1.890  -3.990   5.749
    6    HD3  PRO  40           HXT      PRO  40  -0.141  -2.989   4.627
    7    HA   PRO  40           HB1      PRO  40   1.440  -6.171   5.155

  No H/Q in entry =           7
  In of MODEL   11
    1    H    SER  41           H        SER  41   0.287  -8.365   5.531
    2    HG   SER  41           HXT      SER  41   1.586 -11.329   2.813
    3    HA   SER  41           HB1      SER  41  -0.199  -9.535   2.885
    4    HB2  SER  41           HG2      SER  41   0.937 -10.566   5.445
    5    HB3  SER  41           HG3      SER  41   0.113 -11.709   4.384

  No H/Q in entry =           5
  In of MODEL   11
    1    H    TYR  42           H        TYR  42  -1.624  -9.097   6.044
    2    HD1  TYR  42           HD2      TYR  42  -4.912  -7.485   7.737
    3    HD2  TYR  42           HE1      TYR  42  -1.217  -9.464   8.469
    4    HE1  TYR  42           HE2      TYR  42  -4.024  -5.436   8.767
    5    HE2  TYR  42           HH       TYR  42  -0.320  -7.421   9.501
    6    HH   TYR  42           HXT      TYR  42  -0.777  -4.938   9.369
    7    HA   TYR  42           HB1      TYR  42  -3.841 -10.871   5.508
    8    HB2  TYR  42           HG2      TYR  42  -4.712  -9.970   7.686
    9    HB3  TYR  42           HG3      TYR  42  -3.122 -10.718   7.790

  No H/Q in entry =           9
  In of MODEL   11
    1    HB2  PRO  43           HG2      PRO  43  -8.915  -8.883   4.238
    2    HB3  PRO  43           HG3      PRO  43  -7.869  -9.682   3.058
    3    HG2  PRO  43           HD2      PRO  43  -8.292 -10.319   5.953
    4    HD2  PRO  43           HD3      PRO  43  -6.107 -10.983   6.249
    5    HG3  PRO  43           HD3      PRO  43  -8.187 -11.422   4.568
    6    HD3  PRO  43           HXT      PRO  43  -5.884 -11.351   4.527
    7    HA   PRO  43           HB1      PRO  43  -6.476  -7.919   3.551

  No H/Q in entry =           7
  In of MODEL   11
    1    H    GLY  44           H        GLY  44  -8.481  -6.528   4.055
    2    HA2  GLY  44           HA3      GLY  44  -8.156  -4.528   5.681
    3    HA3  GLY  44           HXT      GLY  44  -8.572  -5.740   6.883

  No H/Q in entry =           3
  In of MODEL   12
    1    H1   ALA   1           H1       ALA   1  17.331   3.406  -4.010
    2    H2   ALA   1           H2       ALA   1  15.809   3.511  -4.796
    3    H3   ALA   1           H3       ALA   1  16.944   4.785  -4.957
    4    HA   ALA   1           HB1      ALA   1  15.292   5.453  -3.463
    5    HB1  ALA   1           HB2      ALA   1  14.416   4.179  -1.792
    6    HB2  ALA   1           HB3      ALA   1  14.883   2.894  -2.906
    7    HB3  ALA   1           HXT      ALA   1  15.916   3.288  -1.532

  No H/Q in entry =           7
  In of MODEL   12
    1    H    MET   2           H        MET   2  15.709   6.282  -1.172
    2    HB2  MET   2           HG2      MET   2  19.006   8.498  -0.616
    3    HB3  MET   2           HG3      MET   2  19.149   7.298  -1.892
    4    HE1  MET   2           HE2      MET   2  17.483   7.747  -4.871
    5    HE2  MET   2           HE3      MET   2  16.709   9.324  -5.030
    6    HE3  MET   2           HXT      MET   2  18.211   8.988  -5.891
    7    HA   MET   2           HB1      MET   2  18.265   6.152  -0.014
    8    HG2  MET   2           HD2      MET   2  16.815   8.159  -2.616
    9    HG3  MET   2           HD3      MET   2  17.228   9.566  -1.638

  No H/Q in entry =           9
  In of MODEL   12
    1    H    ASP   3           H        ASP   3  15.569   8.365  -0.681
    2    HA   ASP   3           HB1      ASP   3  15.050   8.581   2.164
    3    HB2  ASP   3           HG2      ASP   3  16.693  10.469   1.162
    4    HB3  ASP   3           HG3      ASP   3  15.138  11.210   0.796

  No H/Q in entry =           4
  In of MODEL   12
    1    H    CYS   4           H        CYS   4  13.644   7.414  -0.036
    2    HA   CYS   4           HB1      CYS   4  11.133   8.865   0.240
    3    HB2  CYS   4           HG2      CYS   4  12.601   8.476  -2.316
    4    HB3  CYS   4           HG3      CYS   4  10.857   8.242  -2.350

  No H/Q in entry =           4
  In of MODEL   12
    1    H    THR   5           H        THR   5   9.723   7.435   0.978
    2    HG1  THR   5          HG21      THR   5   6.962   6.534   1.357
    3   HG21  THR   5          HG22      THR   5  10.233   4.924   2.968
    4   HG22  THR   5          HG23      THR   5   9.245   6.201   3.676
    5   HG23  THR   5           HXT      THR   5   8.725   4.520   3.788
    6    HA   THR   5           HB1      THR   5  10.146   4.619   0.774
    7    HB   THR   5          HG12      THR   5   7.773   4.574   1.788

  No H/Q in entry =           7
  In of MODEL   12
    1    H    THR   6           H        THR   6   9.725   3.429  -0.954
    2    HG1  THR   6          HG21      THR   6   9.913   1.442  -3.452
    3   HG21  THR   6          HG22      THR   6  10.318   5.080  -3.143
    4   HG22  THR   6          HG23      THR   6  10.876   4.280  -4.613
    5   HG23  THR   6           HXT      THR   6   9.352   5.169  -4.616
    6    HA   THR   6           HB1      THR   6   7.581   4.289  -2.778
    7    HB   THR   6          HG12      THR   6   8.742   2.917  -4.489

  No H/Q in entry =           7
  In of MODEL   12
    1    H    GLY   7           H        GLY   7   6.628   2.351  -4.037
    2    HA2  GLY   7           HA3      GLY   7   5.736   0.420  -2.020
    3    HA3  GLY   7           HXT      GLY   7   6.421  -0.206  -3.512

  No H/Q in entry =           3
  In of MODEL   12
    1    HB2  PRO   8           HG2      PRO   8   1.283  -1.702  -3.225
    2    HB3  PRO   8           HG3      PRO   8   1.295  -2.118  -4.942
    3    HG2  PRO   8           HD2      PRO   8   2.864  -3.408  -3.222
    4    HD2  PRO   8           HD3      PRO   8   4.091  -1.725  -2.232
    5    HG3  PRO   8           HD3      PRO   8   3.437  -3.000  -4.850
    6    HD3  PRO   8           HXT      PRO   8   5.123  -1.982  -3.654
    7    HA   PRO   8           HB1      PRO   8   2.510  -0.252  -5.521

  No H/Q in entry =           7
  In of MODEL   12
    1    H    CYS   9           H        CYS   9   2.501   0.655  -2.134
    2    HA   CYS   9           HB1      CYS   9   0.102   2.298  -2.578
    3    HB2  CYS   9           HG2      CYS   9   0.561   0.540  -0.567
    4    HB3  CYS   9           HG3      CYS   9   1.173   2.019   0.165

  No H/Q in entry =           4
  In of MODEL   12
    1    H    CYS  10           H        CYS  10   2.648   3.099  -3.584
    2    HA   CYS  10           HB1      CYS  10   2.815   5.700  -2.337
    3    HB2  CYS  10           HG2      CYS  10   5.080   3.725  -2.228
    4    HB3  CYS  10           HG3      CYS  10   5.389   5.457  -2.232

  No H/Q in entry =           4
  In of MODEL   12
    1    H    ARG  11           H        ARG  11   2.996   7.167  -3.893
    2    HB2  ARG  11           HG2      ARG  11   2.165   8.582  -5.789
    3    HB3  ARG  11           HG3      ARG  11   3.733   9.176  -5.258
    4    HG2  ARG  11           HD2      ARG  11   4.390   8.819  -7.759
    5    HD2  ARG  11           HD3      ARG  11   2.639  11.058  -6.763
    6    HG3  ARG  11           HD3      ARG  11   2.646   8.898  -8.017
    7    HE   ARG  11          HH12      ARG  11   3.385  10.738  -9.383
    8   HH11  ARG  11          HH21      ARG  11   4.033  13.067  -6.867
    9   HH12  ARG  11          HH22      ARG  11   4.237  14.387  -7.969
   10    HD3  ARG  11           HXT      ARG  11   4.400  10.989  -6.739
   11   HH21  ARG  11           HXT      ARG  11   3.652  12.473 -10.834
   12   HH22  ARG  11           H1       ARG  11   4.020  14.051 -10.221
   13    HA   ARG  11           HB1      ARG  11   3.219   6.519  -6.600

  No H/Q in entry =          13
  In of MODEL   12
    1    H    GLN  12           H        GLN  12   5.626   7.344  -4.232
    2    HB2  GLN  12           HG2      GLN  12   7.142   8.687  -6.734
    3    HB3  GLN  12           HG3      GLN  12   8.795   8.628  -6.139
    4   HE21  GLN  12          HE22      GLN  12  10.031   6.617  -5.860
    5   HE22  GLN  12           HXT      GLN  12  11.506   6.671  -6.758
    6    HA   GLN  12           HB1      GLN  12   7.786   6.169  -5.382
    7    HG2  GLN  12           HD2      GLN  12   7.934   6.204  -7.529
    8    HG3  GLN  12           HD3      GLN  12   7.950   7.655  -8.531

  No H/Q in entry =           8
  In of MODEL   12
    1    H    CYS  13           H        CYS  13   6.539   8.892  -3.620
    2    HA   CYS  13           HB1      CYS  13   8.738   8.599  -1.694
    3    HB2  CYS  13           HG2      CYS  13   7.650  11.190  -2.800
    4    HB3  CYS  13           HG3      CYS  13   8.635  11.098  -1.344

  No H/Q in entry =           4
  In of MODEL   12
    1    H    LYS  14           H        LYS  14   5.497   9.924  -2.285
    2    HB2  LYS  14           HG2      LYS  14   3.558  10.907  -1.922
    3    HB3  LYS  14           HG3      LYS  14   2.535  10.526  -0.544
    4    HG2  LYS  14           HG3      LYS  14   2.944  12.758  -0.215
    5    HG3  LYS  14           HD2      LYS  14   4.212  12.023   0.768
    6    HD2  LYS  14           HD3      LYS  14   5.863  12.452  -0.869
    7    HE2  LYS  14           HE3      LYS  14   5.654  14.880  -1.322
    8    HE3  LYS  14           HZ1      LYS  14   3.986  14.809  -0.756
    9    HZ1  LYS  14           HZ2      LYS  14   6.366  14.102   0.874
   10    HZ2  LYS  14           HZ3      LYS  14   5.528  15.568   0.966
   11    HD3  LYS  14           HXT      LYS  14   4.653  12.835  -2.095
   12    HZ3  LYS  14           HXT      LYS  14   4.762  14.127   1.408
   13    HA   LYS  14           HB1      LYS  14   4.899   9.943   0.552

  No H/Q in entry =          13
  In of MODEL   12
    1    H    LEU  15           H        LEU  15   2.715   8.993   1.214
    2   HD11  LEU  15          HD12      LEU  15   2.609   5.110   4.276
    3   HD12  LEU  15          HD13      LEU  15   2.395   6.441   5.412
    4   HD13  LEU  15          HD21      LEU  15   1.000   5.773   4.565
    5   HD21  LEU  15          HD22      LEU  15   3.865   8.303   2.788
    6   HD22  LEU  15          HD23      LEU  15   2.971   8.834   4.213
    7   HD23  LEU  15           HXT      LEU  15   4.101   7.484   4.333
    8    HG   LEU  15           HXT      LEU  15   1.347   7.577   3.240
    9    HA   LEU  15           HB1      LEU  15   2.302   6.381  -0.077
   10    HB2  LEU  15           HG2      LEU  15   2.075   5.316   2.071
   11    HB3  LEU  15           HG3      LEU  15   3.629   6.125   1.985

  No H/Q in entry =          11
  In of MODEL   12
    1    H    LYS  16           H        LYS  16   0.208   5.599  -0.111
    2    HB2  LYS  16           HG2      LYS  16  -2.284   4.519   0.223
    3    HB3  LYS  16           HG3      LYS  16  -3.324   5.645  -0.639
    4    HG2  LYS  16           HG3      LYS  16  -1.276   5.918  -2.215
    5    HG3  LYS  16           HD2      LYS  16  -0.769   4.379  -1.515
    6    HD2  LYS  16           HD3      LYS  16  -2.753   3.295  -2.266
    7    HE2  LYS  16           HE3      LYS  16  -1.222   4.905  -4.196
    8    HE3  LYS  16           HZ1      LYS  16  -1.516   3.167  -4.147
    9    HZ1  LYS  16           HZ2      LYS  16  -3.886   3.806  -4.830
   10    HZ2  LYS  16           HZ3      LYS  16  -3.218   5.295  -5.276
   11    HD3  LYS  16           HXT      LYS  16  -3.490   4.830  -2.728
   12    HZ3  LYS  16           HXT      LYS  16  -2.674   3.871  -6.008
   13    HA   LYS  16           HB1      LYS  16  -1.868   7.471  -0.217

  No H/Q in entry =          13
  In of MODEL   12
    1    HB2  PRO  17           HG2      PRO  17  -5.980   8.076   3.579
    2    HB3  PRO  17           HG3      PRO  17  -4.885   9.408   3.191
    3    HG2  PRO  17           HD2      PRO  17  -6.104   7.365   1.375
    4    HD2  PRO  17           HD3      PRO  17  -4.244   7.289   0.007
    5    HG3  PRO  17           HD3      PRO  17  -5.894   9.108   1.120
    6    HD3  PRO  17           HXT      PRO  17  -3.669   8.883   0.539
    7    HA   PRO  17           HB1      PRO  17  -3.274   7.957   3.930

  No H/Q in entry =           7
  In of MODEL   12
    1    H    ALA  18           H        ALA  18  -4.021   6.807   5.670
    2    HA   ALA  18           HB1      ALA  18  -4.121   4.027   5.515
    3    HB1  ALA  18           HB2      ALA  18  -4.657   6.044   7.601
    4    HB2  ALA  18           HB3      ALA  18  -5.360   4.447   7.860
    5    HB3  ALA  18           HXT      ALA  18  -3.619   4.619   7.637

  No H/Q in entry =           5
  In of MODEL   12
    1    H    GLY  19           H        GLY  19  -5.620   2.797   4.597
    2    HA2  GLY  19           HA3      GLY  19  -8.451   3.583   4.917
    3    HA3  GLY  19           HXT      GLY  19  -7.896   1.917   4.876

  No H/Q in entry =           3
  In of MODEL   12
    1    H    THR  20           H        THR  20  -5.974   2.967   2.647
    2    HG1  THR  20          HG21      THR  20  -5.559   5.805   0.264
    3   HG21  THR  20          HG22      THR  20  -7.040   4.065  -1.664
    4   HG22  THR  20          HG23      THR  20  -5.438   4.802  -1.701
    5   HG23  THR  20           HXT      THR  20  -5.604   3.047  -1.771
    6    HA   THR  20           HB1      THR  20  -7.935   3.168   0.479
    7    HB   THR  20          HG12      THR  20  -4.942   3.600   0.433

  No H/Q in entry =           7
  In of MODEL   12
    1    H    THR  21           H        THR  21  -7.486   1.947  -1.524
    2    HG1  THR  21          HG21      THR  21  -9.069   1.051  -3.117
    3   HG21  THR  21          HG22      THR  21  -8.685  -1.824  -0.903
    4   HG22  THR  21          HG23      THR  21  -9.633  -1.919  -2.388
    5   HG23  THR  21           HXT      THR  21  -8.012  -2.611  -2.330
    6    HA   THR  21           HB1      THR  21  -6.650  -0.780  -0.851
    7    HB   THR  21          HG12      THR  21  -7.787  -0.583  -3.479

  No H/Q in entry =           7
  In of MODEL   12
    1    H    CYS  22           H        CYS  22  -4.696  -1.423  -1.433
    2    HA   CYS  22           HB1      CYS  22  -3.334  -0.032  -3.629
    3    HB2  CYS  22           HG2      CYS  22  -1.270  -1.112  -2.682
    4    HB3  CYS  22           HG3      CYS  22  -2.068   0.021  -1.596

  No H/Q in entry =           4
  In of MODEL   12
    1    H    TRP  23           H        TRP  23  -4.081  -3.274  -2.415
    2    HE1  TRP  23           HE3      TRP  23  -0.953  -7.555  -7.010
    3    HE3  TRP  23           HZ2      TRP  23  -3.076  -8.502  -2.195
    4    HZ2  TRP  23           HZ3      TRP  23  -0.827 -10.279  -6.276
    5    HZ3  TRP  23           HH2      TRP  23  -2.552 -10.896  -2.422
    6    HH2  TRP  23           HXT      TRP  23  -1.451 -11.764  -4.421
    7    HA   TRP  23           HB1      TRP  23  -3.418  -4.345  -5.079
    8    HB2  TRP  23           HG2      TRP  23  -2.215  -5.127  -2.841
    9    HB3  TRP  23           HG3      TRP  23  -3.645  -6.146  -2.711
   10    HD1  TRP  23           HD2      TRP  23  -1.813  -5.344  -6.012

  No H/Q in entry =          10
  In of MODEL   12
    1    H    LYS  24           H        LYS  24  -4.802  -5.929  -5.980
    2    HB2  LYS  24           HG2      LYS  24  -7.869  -4.559  -4.811
    3    HB3  LYS  24           HG3      LYS  24  -7.577  -4.459  -6.542
    4    HG2  LYS  24           HG3      LYS  24  -9.268  -6.428  -6.672
    5    HG3  LYS  24           HD2      LYS  24  -9.751  -5.873  -5.068
    6    HD2  LYS  24           HD3      LYS  24  -9.604  -4.087  -7.492
    7    HE2  LYS  24           HE3      LYS  24 -11.247  -3.616  -5.043
    8    HE3  LYS  24           HZ1      LYS  24  -9.529  -3.219  -5.033
    9    HZ1  LYS  24           HZ2      LYS  24 -10.103  -1.982  -7.208
   10    HZ2  LYS  24           HZ3      LYS  24 -11.694  -2.034  -6.637
   11    HD3  LYS  24           HXT      LYS  24 -11.077  -4.900  -6.957
   12    HZ3  LYS  24           HXT      LYS  24 -10.492  -1.265  -5.727
   13    HA   LYS  24           HB1      LYS  24  -7.146  -6.905  -4.814

  No H/Q in entry =          13
  In of MODEL   12
    1    H    THR  25           H        THR  25  -7.127  -8.769  -5.896
    2    HG1  THR  25          HG21      THR  25  -5.010  -7.760  -8.727
    3   HG21  THR  25          HG22      THR  25  -6.507 -10.149 -10.259
    4   HG22  THR  25          HG23      THR  25  -5.089  -9.111 -10.410
    5   HG23  THR  25           HXT      THR  25  -4.896 -10.814  -9.993
    6    HA   THR  25           HB1      THR  25  -7.558  -8.755  -8.749
    7    HB   THR  25          HG12      THR  25  -5.257 -10.439  -7.836

  No H/Q in entry =           7
  In of MODEL   12
    1    H    SER  26           H        SER  26  -9.465  -9.516  -7.277
    2    HG   SER  26           HXT      SER  26 -11.418 -11.869  -9.852
    3    HA   SER  26           HB1      SER  26 -10.819 -11.189  -6.504
    4    HB2  SER  26           HG2      SER  26  -9.492 -12.335  -8.943
    5    HB3  SER  26           HG3      SER  26 -10.658 -13.292  -8.030

  No H/Q in entry =           5
  In of MODEL   12
    1    H    VAL  27           H        VAL  27  -8.190 -11.037  -5.220
    2    HB   VAL  27          HG12      VAL  27  -5.590 -13.169  -3.626
    3   HG11  VAL  27          HG12      VAL  27  -6.414 -14.193  -5.974
    4   HG12  VAL  27          HG13      VAL  27  -5.578 -12.749  -6.544
    5   HG13  VAL  27          HG21      VAL  27  -4.719 -13.936  -5.562
    6   HG21  VAL  27          HG22      VAL  27  -5.949 -10.754  -3.615
    7   HG22  VAL  27          HG23      VAL  27  -4.599 -11.188  -4.664
    8   HG23  VAL  27           HXT      VAL  27  -6.162 -10.771  -5.366
    9    HA   VAL  27           HB1      VAL  27  -7.896 -13.855  -4.408

  No H/Q in entry =           9
  In of MODEL   12
    1    H    SER  28           H        SER  28  -7.924 -10.506  -3.311
    2    HG   SER  28           HXT      SER  28  -8.568 -10.760   1.246
    3    HA   SER  28           HB1      SER  28  -9.335 -11.004  -0.963
    4    HB2  SER  28           HG2      SER  28  -6.835 -11.997  -0.614
    5    HB3  SER  28           HG3      SER  28  -6.597 -10.341  -0.058

  No H/Q in entry =           5
  In of MODEL   12
    1    H    SER  29           H        SER  29  -6.885  -9.032  -2.532
    2    HG   SER  29           HXT      SER  29  -8.331  -4.642  -2.020
    3    HA   SER  29           HB1      SER  29  -6.697  -6.788  -2.838
    4    HB2  SER  29           HG2      SER  29  -9.100  -6.955  -3.472
    5    HB3  SER  29           HG3      SER  29  -9.535  -6.646  -1.791

  No H/Q in entry =           5
  In of MODEL   12
    1    H    HIS  30           H        HIS  30  -5.139  -6.328  -1.348
    2    HD1  HIS  30           HD2      HIS  30  -1.280  -7.010   0.153
    3    HD2  HIS  30           HE1      HIS  30  -5.154  -8.431   0.636
    4    HE1  HIS  30           HE2      HIS  30  -1.133  -9.496  -0.201
    5    HE2  HIS  30           HXT      HIS  30  -3.474 -10.344   0.184
    6    HA   HIS  30           HB1      HIS  30  -5.751  -6.027   1.447
    7    HB2  HIS  30           HG2      HIS  30  -3.224  -5.179   0.026
    8    HB3  HIS  30           HG3      HIS  30  -3.422  -5.540   1.737

  No H/Q in entry =           8
  In of MODEL   12
    1    H    TYR  31           H        TYR  31  -4.774  -3.937   2.512
    2    HD1  TYR  31           HD2      TYR  31  -8.743  -0.262   2.031
    3    HD2  TYR  31           HE1      TYR  31  -7.401  -4.289   2.306
    4    HE1  TYR  31           HE2      TYR  31 -10.859  -1.028   1.040
    5    HE2  TYR  31           HH       TYR  31  -9.512  -5.067   1.314
    6    HH   TYR  31           HXT      TYR  31 -12.198  -3.466   1.216
    7    HA   TYR  31           HB1      TYR  31  -5.588  -1.567   0.983
    8    HB2  TYR  31           HG2      TYR  31  -6.487  -2.265   3.784
    9    HB3  TYR  31           HG3      TYR  31  -6.711  -0.687   3.037

  No H/Q in entry =           9
  In of MODEL   12
    1    H    CYS  32           H        CYS  32  -4.985   0.481   2.292
    2    HA   CYS  32           HB1      CYS  32  -2.201   0.146   3.117
    3    HB2  CYS  32           HG2      CYS  32  -3.464   2.000   1.476
    4    HB3  CYS  32           HG3      CYS  32  -3.165   2.892   2.964

  No H/Q in entry =           4
  In of MODEL   12
    1    H    THR  33           H        THR  33  -1.516   0.462   5.146
    2    HG1  THR  33          HG21      THR  33  -1.028  -1.068   6.305
    3   HG21  THR  33          HG22      THR  33  -3.665  -0.937   7.661
    4   HG22  THR  33          HG23      THR  33  -2.282  -2.023   7.798
    5   HG23  THR  33           HXT      THR  33  -2.819  -1.097   9.200
    6    HA   THR  33           HB1      THR  33  -3.515   1.152   7.163
    7    HB   THR  33          HG12      THR  33  -1.386   0.485   8.643

  No H/Q in entry =           7
  In of MODEL   12
    1    H    GLY  34           H        GLY  34  -1.955   3.066   5.330
    2    HA2  GLY  34           HA3      GLY  34  -1.852   5.272   6.970
    3    HA3  GLY  34           HXT      GLY  34  -0.927   5.116   5.486

  No H/Q in entry =           3
  In of MODEL   12
    1    H    ARG  35           H        ARG  35   0.543   2.770   6.629
    2    HB2  ARG  35           HG2      ARG  35   2.922   2.164   9.498
    3    HB3  ARG  35           HG3      ARG  35   1.182   2.399   9.577
    4    HG2  ARG  35           HD2      ARG  35   0.972   0.916   7.577
    5    HD2  ARG  35           HD3      ARG  35   2.100  -0.041  10.177
    6    HG3  ARG  35           HD3      ARG  35   2.696   0.573   7.729
    7    HE   ARG  35          HH12      ARG  35   1.943  -1.664   7.837
    8   HH11  ARG  35          HH21      ARG  35   1.409  -1.666  11.286
    9   HH12  ARG  35          HH22      ARG  35   1.645  -3.373  11.448
   10    HD3  ARG  35           HXT      ARG  35   0.450  -0.161   9.566
   11   HH21  ARG  35           HXT      ARG  35   2.254  -3.910   8.048
   12   HH22  ARG  35           H1       ARG  35   2.125  -4.648   9.610
   13    HA   ARG  35           HB1      ARG  35   2.308   4.272   8.448

  No H/Q in entry =          13
  In of MODEL   12
    1    H    SER  36           H        SER  36   2.146   1.900   5.844
    2    HG   SER  36           HXT      SER  36   6.450   0.330   6.471
    3    HA   SER  36           HB1      SER  36   4.734   2.811   4.883
    4    HB2  SER  36           HG2      SER  36   4.234   0.115   6.023
    5    HB3  SER  36           HG3      SER  36   5.176   0.181   4.534

  No H/Q in entry =           5
  In of MODEL   12
    1    H    CYS  37           H        CYS  37   5.254   1.747   2.730
    2    HA   CYS  37           HB1      CYS  37   2.969   2.024   1.029
    3    HB2  CYS  37           HG2      CYS  37   5.690   1.012   0.208
    4    HB3  CYS  37           HG3      CYS  37   4.492   1.826  -0.792

  No H/Q in entry =           4
  In of MODEL   12
    1    H    GLU  38           H        GLU  38   4.745  -0.638   2.403
    2    HB2  GLU  38           HG2      GLU  38   4.642  -2.835   3.582
    3    HB3  GLU  38           HG3      GLU  38   4.483  -4.216   2.506
    4    HA   GLU  38           HB1      GLU  38   3.900  -2.677   0.655
    5    HG2  GLU  38           HD2      GLU  38   6.459  -3.829   1.489
    6    HG3  GLU  38           HD3      GLU  38   6.314  -2.078   1.627

  No H/Q in entry =           6
  In of MODEL   12
    1    H    CYS  39           H        CYS  39   2.179  -4.087   0.711
    2    HA   CYS  39           HB1      CYS  39  -0.144  -3.145   2.211
    3    HB2  CYS  39           HG2      CYS  39  -0.009  -5.226   0.020
    4    HB3  CYS  39           HG3      CYS  39  -1.467  -4.498   0.687

  No H/Q in entry =           4
  In of MODEL   12
    1    HB2  PRO  40           HG2      PRO  40  -2.624  -6.703   5.745
    2    HB3  PRO  40           HG3      PRO  40  -1.624  -5.348   6.283
    3    HG2  PRO  40           HD2      PRO  40  -3.551  -5.488   3.996
    4    HD2  PRO  40           HD3      PRO  40  -2.283  -4.082   2.686
    5    HG3  PRO  40           HD3      PRO  40  -3.321  -4.194   5.187
    6    HD3  PRO  40           HXT      PRO  40  -1.486  -3.338   4.087
    7    HA   PRO  40           HB1      PRO  40   0.001  -6.475   5.107

  No H/Q in entry =           7
  In of MODEL   12
    1    H    SER  41           H        SER  41  -0.363  -8.686   5.306
    2    HG   SER  41           HXT      SER  41   0.982 -12.211   3.975
    3    HA   SER  41           HB1      SER  41  -0.776 -10.128   2.924
    4    HB2  SER  41           HG2      SER  41  -0.483 -10.871   5.811
    5    HB3  SER  41           HG3      SER  41  -0.994 -12.100   4.654

  No H/Q in entry =           5
  In of MODEL   12
    1    H    TYR  42           H        TYR  42  -2.924  -9.198   5.518
    2    HD1  TYR  42           HD2      TYR  42  -6.177  -7.831   7.119
    3    HD2  TYR  42           HE1      TYR  42  -3.054 -10.605   7.921
    4    HE1  TYR  42           HE2      TYR  42  -5.263  -6.302   8.814
    5    HE2  TYR  42           HH       TYR  42  -2.131  -9.085   9.619
    6    HH   TYR  42           HXT      TYR  42  -3.152  -7.173  11.129
    7    HA   TYR  42           HB1      TYR  42  -5.105 -10.726   4.273
    8    HB2  TYR  42           HG2      TYR  42  -6.322 -10.227   6.428
    9    HB3  TYR  42           HG3      TYR  42  -4.908 -11.263   6.590

  No H/Q in entry =           9
  In of MODEL   12
    1    HB2  PRO  43           HG2      PRO  43  -9.695  -7.661   3.107
    2    HB3  PRO  43           HG3      PRO  43  -8.681  -8.416   1.872
    3    HG2  PRO  43           HD2      PRO  43  -9.511  -9.472   4.548
    4    HD2  PRO  43           HD3      PRO  43  -7.514 -10.580   4.862
    5    HG3  PRO  43           HD3      PRO  43  -9.447 -10.309   2.986
    6    HD3  PRO  43           HXT      PRO  43  -7.171 -10.655   3.122
    7    HA   PRO  43           HB1      PRO  43  -7.065  -7.068   2.797

  No H/Q in entry =           7
  In of MODEL   12
    1    H    GLY  44           H        GLY  44  -7.919  -8.215   5.997
    2    HA2  GLY  44           HA3      GLY  44  -8.891  -5.526   6.706
    3    HA3  GLY  44           HXT      GLY  44  -7.590  -6.258   7.633

  No H/Q in entry =           3
  In of MODEL   13
    1    H1   ALA   1           H1       ALA   1  19.915  10.275  -1.515
    2    H2   ALA   1           H2       ALA   1  20.806  10.767  -0.133
    3    H3   ALA   1           H3       ALA   1  21.171   9.279  -0.902
    4    HA   ALA   1           HB1      ALA   1  19.193   8.318  -0.238
    5    HB1  ALA   1           HB2      ALA   1  20.530   9.888   1.949
    6    HB2  ALA   1           HB3      ALA   1  20.801   8.208   1.485
    7    HB3  ALA   1           HXT      ALA   1  19.290   8.675   2.265

  No H/Q in entry =           7
  In of MODEL   13
    1    H    MET   2           H        MET   2  17.088   8.424   0.609
    2    HB2  MET   2           HG2      MET   2  14.740   9.432  -1.032
    3    HB3  MET   2           HG3      MET   2  14.323  11.055  -0.502
    4    HE1  MET   2           HE2      MET   2  15.742   8.956  -3.402
    5    HE2  MET   2           HE3      MET   2  14.817   9.561  -4.776
    6    HE3  MET   2           HXT      MET   2  16.553   9.857  -4.683
    7    HA   MET   2           HB1      MET   2  15.938  11.007   1.242
    8    HG2  MET   2           HD2      MET   2  16.518  11.851  -1.242
    9    HG3  MET   2           HD3      MET   2  16.908  10.225  -1.799

  No H/Q in entry =           9
  In of MODEL   13
    1    H    ASP   3           H        ASP   3  13.604  10.793   1.846
    2    HA   ASP   3           HB1      ASP   3  13.228   8.271   3.285
    3    HB2  ASP   3           HG2      ASP   3  13.041  10.796   4.211
    4    HB3  ASP   3           HG3      ASP   3  11.366  10.535   3.733

  No H/Q in entry =           4
  In of MODEL   13
    1    H    CYS   4           H        CYS   4  12.746   8.371   0.461
    2    HA   CYS   4           HB1      CYS   4   9.817   8.143   0.334
    3    HB2  CYS   4           HG2      CYS   4  11.902   8.660  -1.775
    4    HB3  CYS   4           HG3      CYS   4  10.278   8.128  -2.197

  No H/Q in entry =           4
  In of MODEL   13
    1    H    THR   5           H        THR   5   9.001   6.166   0.392
    2    HG1  THR   5          HG21      THR   5   7.574   4.892   0.957
    3   HG21  THR   5          HG22      THR   5  10.713   3.990   2.313
    4   HG22  THR   5          HG23      THR   5   9.491   2.931   3.017
    5   HG23  THR   5           HXT      THR   5  10.581   2.316   1.774
    6    HA   THR   5           HB1      THR   5  10.727   3.889  -0.249
    7    HB   THR   5          HG12      THR   5   8.512   2.720   0.716

  No H/Q in entry =           7
  In of MODEL   13
    1    H    THR   6           H        THR   6  10.044   2.220  -1.644
    2    HG1  THR   6          HG21      THR   6   9.948   0.054  -3.490
    3   HG21  THR   6          HG22      THR   6  10.117   3.864  -4.805
    4   HG22  THR   6          HG23      THR   6  11.441   3.068  -3.954
    5   HG23  THR   6           HXT      THR   6  11.123   2.685  -5.646
    6    HA   THR   6           HB1      THR   6   8.126   3.121  -3.677
    7    HB   THR   6          HG12      THR   6   9.228   1.469  -5.157

  No H/Q in entry =           7
  In of MODEL   13
    1    H    GLY   7           H        GLY   7   6.590   1.653  -4.548
    2    HA2  GLY   7           HA3      GLY   7   5.642  -0.265  -2.561
    3    HA3  GLY   7           HXT      GLY   7   6.022  -0.903  -4.153

  No H/Q in entry =           3
  In of MODEL   13
    1    HB2  PRO   8           HG2      PRO   8   0.793  -1.723  -3.643
    2    HB3  PRO   8           HG3      PRO   8   0.651  -1.821  -5.402
    3    HG2  PRO   8           HD2      PRO   8   2.146  -3.568  -4.058
    4    HD2  PRO   8           HD3      PRO   8   3.616  -2.214  -2.898
    5    HG3  PRO   8           HD3      PRO   8   2.666  -2.944  -5.635
    6    HD3  PRO   8           HXT      PRO   8   4.536  -2.370  -4.408
    7    HA   PRO   8           HB1      PRO   8   2.025  -0.015  -5.743

  No H/Q in entry =           7
  In of MODEL   13
    1    H    CYS   9           H        CYS   9   2.561   0.380  -2.327
    2    HA   CYS   9           HB1      CYS   9   0.180   2.054  -2.047
    3    HB2  CYS   9           HG2      CYS   9   1.207   0.248  -0.336
    4    HB3  CYS   9           HG3      CYS   9   2.036   1.692   0.238

  No H/Q in entry =           4
  In of MODEL   13
    1    H    CYS  10           H        CYS  10   2.295   2.998  -3.713
    2    HA   CYS  10           HB1      CYS  10   2.537   5.631  -2.803
    3    HB2  CYS  10           HG2      CYS  10   5.089   5.611  -2.529
    4    HB3  CYS  10           HG3      CYS  10   4.126   5.004  -1.186

  No H/Q in entry =           4
  In of MODEL   13
    1    H    ARG  11           H        ARG  11   2.644   6.781  -4.607
    2    HB2  ARG  11           HG2      ARG  11   1.779   7.689  -6.853
    3    HB3  ARG  11           HG3      ARG  11   3.182   8.555  -6.244
    4    HG2  ARG  11           HD2      ARG  11   2.901   9.252  -8.471
    5    HD2  ARG  11           HD3      ARG  11   3.149   6.595  -9.714
    6    HG3  ARG  11           HD3      ARG  11   4.262   8.129  -8.488
    7    HE   ARG  11          HH12      ARG  11   2.459   7.957 -11.394
    8   HH11  ARG  11          HH21      ARG  11   0.799   8.924  -8.481
    9   HH12  ARG  11          HH22      ARG  11  -0.136  10.149  -9.270
   10    HD3  ARG  11           HXT      ARG  11   1.612   6.920  -8.915
   11   HH21  ARG  11           HXT      ARG  11   1.231   9.569 -12.434
   12   HH22  ARG  11           H1       ARG  11   0.109  10.515 -11.515
   13    HA   ARG  11           HB1      ARG  11   3.086   5.667  -7.133

  No H/Q in entry =          13
  In of MODEL   13
    1    H    GLN  12           H        GLN  12   5.090   8.359  -5.978
    2    HB2  GLN  12           HG2      GLN  12   6.573   8.504  -8.478
    3    HB3  GLN  12           HG3      GLN  12   7.363   9.696  -7.455
    4   HE21  GLN  12          HE22      GLN  12  10.604   7.529  -6.993
    5   HE22  GLN  12           HXT      GLN  12  11.477   8.996  -6.732
    6    HA   GLN  12           HB1      GLN  12   7.493   6.822  -6.664
    7    HG2  GLN  12           HD2      GLN  12   8.907   7.291  -8.261
    8    HG3  GLN  12           HD3      GLN  12   8.612   8.545  -9.465

  No H/Q in entry =           8
  In of MODEL   13
    1    H    CYS  13           H        CYS  13   5.968   8.299  -4.269
    2    HA   CYS  13           HB1      CYS  13   8.213   8.587  -2.629
    3    HB2  CYS  13           HG2      CYS  13   7.511  10.955  -4.195
    4    HB3  CYS  13           HG3      CYS  13   7.540  11.266  -2.463

  No H/Q in entry =           4
  In of MODEL   13
    1    H    LYS  14           H        LYS  14   4.993   9.967  -3.233
    2    HB2  LYS  14           HG2      LYS  14   2.062  10.674  -1.266
    3    HB3  LYS  14           HG3      LYS  14   3.280  11.639  -2.088
    4    HG2  LYS  14           HG3      LYS  14   3.120  10.315  -4.055
    5    HG3  LYS  14           HD2      LYS  14   2.121   9.113  -3.236
    6    HD2  LYS  14           HD3      LYS  14   1.270  11.982  -3.544
    7    HE2  LYS  14           HE3      LYS  14  -0.501   9.580  -3.360
    8    HE3  LYS  14           HZ1      LYS  14   0.206  10.273  -1.901
    9    HZ1  LYS  14           HZ2      LYS  14  -1.305  11.913  -3.847
   10    HZ2  LYS  14           HZ3      LYS  14  -2.068  11.104  -2.571
   11    HD3  LYS  14           HXT      LYS  14   0.921  10.755  -4.764
   12    HZ3  LYS  14           HXT      LYS  14  -0.906  12.289  -2.247
   13    HA   LYS  14           HB1      LYS  14   4.341  10.179  -0.462

  No H/Q in entry =          13
  In of MODEL   13
    1    H    LEU  15           H        LEU  15   2.636   9.004   0.625
    2   HD11  LEU  15          HD12      LEU  15   3.994   5.437   3.683
    3   HD12  LEU  15          HD13      LEU  15   3.749   3.711   3.413
    4   HD13  LEU  15          HD21      LEU  15   5.006   4.573   2.526
    5   HD21  LEU  15          HD22      LEU  15   1.218   4.627   2.946
    6   HD22  LEU  15          HD23      LEU  15   1.069   4.345   1.211
    7   HD23  LEU  15           HXT      LEU  15   1.911   3.174   2.226
    8    HG   LEU  15           HXT      LEU  15   3.437   4.618   0.906
    9    HA   LEU  15           HB1      LEU  15   2.378   6.230  -0.338
   10    HB2  LEU  15           HG2      LEU  15   3.717   6.976   1.890
   11    HB3  LEU  15           HG3      LEU  15   2.111   6.751   2.558

  No H/Q in entry =          11
  In of MODEL   13
    1    H    LYS  16           H        LYS  16   0.384   5.338  -0.383
    2    HB2  LYS  16           HG2      LYS  16  -1.376   4.013  -0.403
    3    HB3  LYS  16           HG3      LYS  16  -3.010   4.540  -0.026
    4    HG2  LYS  16           HG3      LYS  16  -3.339   5.460  -2.126
    5    HG3  LYS  16           HD2      LYS  16  -1.609   5.580  -2.452
    6    HD2  LYS  16           HD3      LYS  16  -1.744   2.950  -2.220
    7    HE2  LYS  16           HE3      LYS  16  -1.053   4.231  -4.226
    8    HE3  LYS  16           HZ1      LYS  16  -1.955   2.764  -4.603
    9    HZ1  LYS  16           HZ2      LYS  16  -3.464   5.254  -4.337
   10    HZ2  LYS  16           HZ3      LYS  16  -2.515   5.064  -5.724
   11    HD3  LYS  16           HXT      LYS  16  -3.429   3.235  -2.661
   12    HZ3  LYS  16           HXT      LYS  16  -3.725   3.937  -5.367
   13    HA   LYS  16           HB1      LYS  16  -1.892   6.941  -0.411

  No H/Q in entry =          13
  In of MODEL   13
    1    HB2  PRO  17           HG2      PRO  17  -5.857   6.695   2.857
    2    HB3  PRO  17           HG3      PRO  17  -5.412   8.200   3.670
    3    HG2  PRO  17           HD2      PRO  17  -6.000   8.186   1.075
    4    HD2  PRO  17           HD3      PRO  17  -4.537   6.637   0.190
    5    HG3  PRO  17           HD3      PRO  17  -4.692   9.203   1.706
    6    HD3  PRO  17           HXT      PRO  17  -3.468   8.053   0.128
    7    HA   PRO  17           HB1      PRO  17  -3.177   7.656   3.738

  No H/Q in entry =           7
  In of MODEL   13
    1    H    ALA  18           H        ALA  18  -3.399   6.538   5.624
    2    HA   ALA  18           HB1      ALA  18  -2.953   3.764   5.640
    3    HB1  ALA  18           HB2      ALA  18  -2.527   5.621   7.452
    4    HB2  ALA  18           HB3      ALA  18  -4.109   5.103   8.035
    5    HB3  ALA  18           HXT      ALA  18  -2.788   3.941   7.918

  No H/Q in entry =           5
  In of MODEL   13
    1    H    GLY  19           H        GLY  19  -4.404   2.348   4.888
    2    HA2  GLY  19           HA3      GLY  19  -7.163   2.552   5.924
    3    HA3  GLY  19           HXT      GLY  19  -6.346   1.034   5.585

  No H/Q in entry =           3
  In of MODEL   13
    1    H    THR  20           H        THR  20  -5.203   2.139   3.071
    2    HG1  THR  20          HG21      THR  20  -5.752   5.227   0.923
    3   HG21  THR  20          HG22      THR  20  -6.193   2.451  -1.221
    4   HG22  THR  20          HG23      THR  20  -7.419   3.634  -0.764
    5   HG23  THR  20           HXT      THR  20  -5.800   4.170  -1.213
    6    HA   THR  20           HB1      THR  20  -7.656   2.248   1.447
    7    HB   THR  20          HG12      THR  20  -4.859   3.153   0.736

  No H/Q in entry =           7
  In of MODEL   13
    1    H    THR  21           H        THR  21  -7.788   0.998  -0.458
    2    HG1  THR  21          HG21      THR  21  -9.379  -0.204  -0.592
    3   HG21  THR  21          HG22      THR  21  -8.357  -2.610   0.045
    4   HG22  THR  21          HG23      THR  21  -9.723  -2.560  -1.069
    5   HG23  THR  21           HXT      THR  21  -8.247  -3.412  -1.522
    6    HA   THR  21           HB1      THR  21  -6.470  -1.557  -0.244
    7    HB   THR  21          HG12      THR  21  -7.914  -1.478  -2.654

  No H/Q in entry =           7
  In of MODEL   13
    1    H    CYS  22           H        CYS  22  -4.905  -2.384  -1.532
    2    HA   CYS  22           HB1      CYS  22  -3.918  -0.692  -3.730
    3    HB2  CYS  22           HG2      CYS  22  -1.604  -1.556  -3.081
    4    HB3  CYS  22           HG3      CYS  22  -2.326  -0.352  -2.019

  No H/Q in entry =           4
  In of MODEL   13
    1    H    TRP  23           H        TRP  23  -3.953  -3.951  -2.328
    2    HE1  TRP  23           HE3      TRP  23  -0.967  -8.668  -6.464
    3    HE3  TRP  23           HZ2      TRP  23  -3.561  -9.092  -1.808
    4    HZ2  TRP  23           HZ3      TRP  23  -1.163 -11.335  -5.560
    5    HZ3  TRP  23           HH2      TRP  23  -3.250 -11.532  -1.844
    6    HH2  TRP  23           HXT      TRP  23  -2.076 -12.629  -3.683
    7    HA   TRP  23           HB1      TRP  23  -3.299  -5.098  -4.933
    8    HB2  TRP  23           HG2      TRP  23  -2.324  -5.829  -2.610
    9    HB3  TRP  23           HG3      TRP  23  -3.825  -6.739  -2.481
   10    HD1  TRP  23           HD2      TRP  23  -1.691  -6.326  -5.680

  No H/Q in entry =          10
  In of MODEL   13
    1    H    LYS  24           H        LYS  24  -4.627  -6.579  -6.002
    2    HB2  LYS  24           HG2      LYS  24  -7.375  -4.864  -5.666
    3    HB3  LYS  24           HG3      LYS  24  -7.438  -5.491  -7.307
    4    HG2  LYS  24           HG3      LYS  24  -9.317  -6.993  -6.514
    5    HG3  LYS  24           HD2      LYS  24  -9.343  -6.012  -5.047
    6    HD2  LYS  24           HD3      LYS  24  -9.667  -4.938  -7.848
    7    HE2  LYS  24           HE3      LYS  24  -8.740  -3.401  -6.073
    8    HE3  LYS  24           HZ1      LYS  24 -10.228  -2.871  -6.855
    9    HZ1  LYS  24           HZ2      LYS  24 -10.519  -4.450  -4.424
   10    HZ2  LYS  24           HZ3      LYS  24  -9.912  -2.883  -4.234
   11    HD3  LYS  24           HXT      LYS  24 -10.996  -5.278  -6.738
   12    HZ3  LYS  24           HXT      LYS  24 -11.417  -3.123  -4.968
   13    HA   LYS  24           HB1      LYS  24  -7.160  -7.400  -5.018

  No H/Q in entry =          13
  In of MODEL   13
    1    H    THR  25           H        THR  25  -6.489  -9.410  -5.739
    2    HG1  THR  25          HG21      THR  25  -6.054 -12.677  -8.402
    3   HG21  THR  25          HG22      THR  25  -6.795 -11.644  -5.691
    4   HG22  THR  25          HG23      THR  25  -5.770 -13.026  -6.079
    5   HG23  THR  25           HXT      THR  25  -5.119 -11.679  -5.144
    6    HA   THR  25           HB1      THR  25  -5.950  -9.740  -8.594
    7    HB   THR  25          HG12      THR  25  -4.397 -10.817  -7.047

  No H/Q in entry =           7
  In of MODEL   13
    1    H    SER  26           H        SER  26  -8.237  -9.202  -9.040
    2    HG   SER  26           HXT      SER  26 -10.438 -12.982 -11.193
    3    HA   SER  26           HB1      SER  26 -10.203  -9.941  -9.936
    4    HB2  SER  26           HG2      SER  26  -8.808 -12.233  -9.980
    5    HB3  SER  26           HG3      SER  26 -10.032 -12.676  -8.789

  No H/Q in entry =           5
  In of MODEL   13
    1    H    VAL  27           H        VAL  27  -9.648 -11.552  -6.822
    2    HB   VAL  27          HG12      VAL  27 -12.646 -12.568  -6.346
    3   HG11  VAL  27          HG12      VAL  27 -10.354 -13.483  -6.043
    4   HG12  VAL  27          HG13      VAL  27 -10.584 -13.365  -4.298
    5   HG13  VAL  27          HG21      VAL  27 -11.611 -14.435  -5.252
    6   HG21  VAL  27          HG22      VAL  27 -13.279 -11.223  -4.097
    7   HG22  VAL  27          HG23      VAL  27 -13.945 -12.801  -4.516
    8   HG23  VAL  27           HXT      VAL  27 -12.582 -12.686  -3.402
    9    HA   VAL  27           HB1      VAL  27 -12.071 -10.244  -5.803

  No H/Q in entry =           9
  In of MODEL   13
    1    H    SER  28           H        SER  28  -9.106 -11.989  -4.980
    2    HG   SER  28           HXT      SER  28  -6.695 -11.880  -1.306
    3    HA   SER  28           HB1      SER  28  -9.090 -11.213  -2.247
    4    HB2  SER  28           HG2      SER  28  -7.732 -13.077  -3.658
    5    HB3  SER  28           HG3      SER  28  -6.499 -11.821  -3.549

  No H/Q in entry =           5
  In of MODEL   13
    1    H    SER  29           H        SER  29  -8.811  -9.219  -1.521
    2    HG   SER  29           HXT      SER  29  -9.583  -5.356  -1.153
    3    HA   SER  29           HB1      SER  29  -6.866  -7.482  -2.887
    4    HB2  SER  29           HG2      SER  29  -8.285  -5.612  -2.771
    5    HB3  SER  29           HG3      SER  29  -9.361  -6.918  -3.268

  No H/Q in entry =           5
  In of MODEL   13
    1    H    HIS  30           H        HIS  30  -5.596  -6.189  -1.589
    2    HD1  HIS  30           HD2      HIS  30  -1.412  -7.737   1.161
    3    HD2  HIS  30           HE1      HIS  30  -5.273  -9.076   0.412
    4    HE1  HIS  30           HE2      HIS  30  -1.341 -10.226   1.515
    5    HE2  HIS  30           HXT      HIS  30  -3.708 -11.002   1.142
    6    HA   HIS  30           HB1      HIS  30  -5.733  -6.789   1.288
    7    HB2  HIS  30           HG2      HIS  30  -3.459  -6.237  -0.581
    8    HB3  HIS  30           HG3      HIS  30  -3.279  -5.861   1.130

  No H/Q in entry =           8
  In of MODEL   13
    1    H    TYR  31           H        TYR  31  -4.427  -4.907   2.514
    2    HD1  TYR  31           HD2      TYR  31  -8.050  -4.672   2.904
    3    HD2  TYR  31           HE1      TYR  31  -7.403  -0.472   2.716
    4    HE1  TYR  31           HE2      TYR  31 -10.295  -4.375   1.946
    5    HE2  TYR  31           HH       TYR  31  -9.646  -0.163   1.758
    6    HH   TYR  31           HXT      TYR  31 -12.013  -2.501   1.826
    7    HA   TYR  31           HB1      TYR  31  -5.350  -2.298   1.557
    8    HB2  TYR  31           HG2      TYR  31  -6.203  -3.678   4.065
    9    HB3  TYR  31           HG3      TYR  31  -5.981  -1.932   4.103

  No H/Q in entry =           9
  In of MODEL   13
    1    H    CYS  32           H        CYS  32  -4.505  -0.525   3.094
    2    HA   CYS  32           HB1      CYS  32  -1.755  -1.224   3.889
    3    HB2  CYS  32           HG2      CYS  32  -2.862   1.071   2.358
    4    HB3  CYS  32           HG3      CYS  32  -1.546   1.417   3.474

  No H/Q in entry =           4
  In of MODEL   13
    1    H    THR  33           H        THR  33  -0.866  -0.132   5.704
    2    HG1  THR  33          HG21      THR  33  -1.145   1.037   9.803
    3   HG21  THR  33          HG22      THR  33   0.587   0.149   7.554
    4   HG22  THR  33          HG23      THR  33   0.642  -0.534   9.179
    5   HG23  THR  33           HXT      THR  33   0.286  -1.572   7.798
    6    HA   THR  33           HB1      THR  33  -2.914   0.871   7.568
    7    HB   THR  33          HG12      THR  33  -1.854  -1.237   8.268

  No H/Q in entry =           7
  In of MODEL   13
    1    H    GLY  34           H        GLY  34  -1.173   2.316   5.527
    2    HA2  GLY  34           HA3      GLY  34  -0.822   4.712   6.847
    3    HA3  GLY  34           HXT      GLY  34   0.044   4.260   5.387

  No H/Q in entry =           3
  In of MODEL   13
    1    H    ARG  35           H        ARG  35   1.405   2.006   6.650
    2    HB2  ARG  35           HG2      ARG  35   2.514   0.540   8.291
    3    HB3  ARG  35           HG3      ARG  35   3.926   1.116   9.165
    4    HG2  ARG  35           HD2      ARG  35   2.064   2.699  10.256
    5    HD2  ARG  35           HD3      ARG  35   2.055  -0.023  11.382
    6    HG3  ARG  35           HD3      ARG  35   1.063   1.304   9.848
    7    HE   ARG  35          HH12      ARG  35   1.910   2.513  12.439
    8   HH11  ARG  35          HH21      ARG  35   3.844  -0.340  12.986
    9   HH12  ARG  35          HH22      ARG  35   4.093  -0.002  14.666
   10    HD3  ARG  35           HXT      ARG  35   3.646   0.693  11.125
   11   HH21  ARG  35           HXT      ARG  35   2.236   2.959  14.648
   12   HH22  ARG  35           H1       ARG  35   3.180   1.871  15.610
   13    HA   ARG  35           HB1      ARG  35   3.213   3.466   8.461

  No H/Q in entry =          13
  In of MODEL   13
    1    H    SER  36           H        SER  36   3.012   1.365   5.655
    2    HG   SER  36           HXT      SER  36   6.813  -0.920   3.948
    3    HA   SER  36           HB1      SER  36   5.616   2.287   4.781
    4    HB2  SER  36           HG2      SER  36   6.136   0.288   6.159
    5    HB3  SER  36           HG3      SER  36   5.090  -0.675   5.116

  No H/Q in entry =           5
  In of MODEL   13
    1    H    CYS  37           H        CYS  37   6.140   1.239   2.573
    2    HA   CYS  37           HB1      CYS  37   3.925   1.758   0.854
    3    HB2  CYS  37           HG2      CYS  37   6.782   0.963   0.467
    4    HB3  CYS  37           HG3      CYS  37   5.664   0.805  -0.884

  No H/Q in entry =           4
  In of MODEL   13
    1    H    GLU  38           H        GLU  38   5.404  -1.115   2.162
    2    HB2  GLU  38           HG2      GLU  38   4.758  -4.644   2.174
    3    HB3  GLU  38           HG3      GLU  38   6.105  -3.516   2.120
    4    HA   GLU  38           HB1      GLU  38   4.450  -3.031   0.371
    5    HG2  GLU  38           HD2      GLU  38   4.438  -2.289   3.883
    6    HG3  GLU  38           HD3      GLU  38   4.127  -3.991   4.219

  No H/Q in entry =           6
  In of MODEL   13
    1    H    CYS  39           H        CYS  39   2.694  -4.572   0.660
    2    HA   CYS  39           HB1      CYS  39   0.330  -3.310   1.887
    3    HB2  CYS  39           HG2      CYS  39   0.604  -5.009  -0.590
    4    HB3  CYS  39           HG3      CYS  39  -0.950  -4.734   0.191

  No H/Q in entry =           4
  In of MODEL   13
    1    HB2  PRO  40           HG2      PRO  40  -0.909  -5.514   6.059
    2    HB3  PRO  40           HG3      PRO  40   0.576  -6.286   6.624
    3    HG2  PRO  40           HD2      PRO  40   0.439  -3.642   6.366
    4    HD2  PRO  40           HD3      PRO  40  -0.180  -3.336   4.166
    5    HG3  PRO  40           HD3      PRO  40   1.915  -4.523   5.929
    6    HD3  PRO  40           HXT      PRO  40   1.574  -3.456   3.915
    7    HA   PRO  40           HB1      PRO  40   1.151  -7.021   4.519

  No H/Q in entry =           7
  In of MODEL   13
    1    H    SER  41           H        SER  41  -0.475  -8.539   5.536
    2    HG   SER  41           HXT      SER  41  -0.422 -11.710   3.971
    3    HA   SER  41           HB1      SER  41  -2.675  -8.938   3.646
    4    HB2  SER  41           HG2      SER  41  -1.455 -10.828   5.674
    5    HB3  SER  41           HG3      SER  41  -2.744 -11.243   4.545

  No H/Q in entry =           5
  In of MODEL   13
    1    H    TYR  42           H        TYR  42  -3.035  -6.902   5.535
    2    HD1  TYR  42           HD2      TYR  42  -4.055  -8.636   9.173
    3    HD2  TYR  42           HE1      TYR  42  -1.618  -5.178   8.720
    4    HE1  TYR  42           HE2      TYR  42  -2.351  -9.654  10.625
    5    HE2  TYR  42           HH       TYR  42   0.093  -6.187  10.169
    6    HH   TYR  42           HXT      TYR  42   0.581  -9.002  10.757
    7    HA   TYR  42           HB1      TYR  42  -4.938  -8.072   7.447
    8    HB2  TYR  42           HG2      TYR  42  -3.548  -5.388   7.427
    9    HB3  TYR  42           HG3      TYR  42  -4.798  -5.836   8.582

  No H/Q in entry =           9
  In of MODEL   13
    1    HB2  PRO  43           HG2      PRO  43  -9.586  -8.052   4.383
    2    HB3  PRO  43           HG3      PRO  43  -8.152  -8.243   3.367
    3    HG2  PRO  43           HD2      PRO  43  -8.707  -9.357   6.090
    4    HD2  PRO  43           HD3      PRO  43  -6.501  -9.191   6.738
    5    HG3  PRO  43           HD3      PRO  43  -7.979 -10.153   4.683
    6    HD3  PRO  43           HXT      PRO  43  -5.908  -9.213   5.064
    7    HA   PRO  43           HB1      PRO  43  -7.640  -6.168   4.214

  No H/Q in entry =           7
  In of MODEL   13
    1    H    GLY  44           H        GLY  44 -10.300  -6.188   4.517
    2    HA2  GLY  44           HA3      GLY  44 -10.835  -5.392   7.302
    3    HA3  GLY  44           HXT      GLY  44 -12.057  -5.859   6.128

  No H/Q in entry =           3
  In of MODEL   14
    1    H1   ALA   1           H1       ALA   1  11.872  15.000   3.148
    2    H2   ALA   1           H2       ALA   1  11.936  16.217   1.943
    3    H3   ALA   1           H3       ALA   1  10.423  15.732   2.592
    4    HA   ALA   1           HB1      ALA   1  10.445  13.735   1.540
    5    HB1  ALA   1           HB2      ALA   1  11.529  15.937  -0.171
    6    HB2  ALA   1           HB3      ALA   1  11.194  14.347  -0.857
    7    HB3  ALA   1           HXT      ALA   1   9.896  15.274  -0.105

  No H/Q in entry =           7
  In of MODEL   14
    1    H    MET   2           H        MET   2  11.991  12.467   2.762
    2    HB2  MET   2           HG2      MET   2  14.396  11.891   4.166
    3    HB3  MET   2           HG3      MET   2  15.760  11.641   3.085
    4    HE1  MET   2           HE2      MET   2  15.207  16.019   4.519
    5    HE2  MET   2           HE3      MET   2  16.693  16.105   5.465
    6    HE3  MET   2           HXT      MET   2  16.737  16.395   3.726
    7    HA   MET   2           HB1      MET   2  14.363  11.841   1.148
    8    HG2  MET   2           HD2      MET   2  15.285  13.987   2.216
    9    HG3  MET   2           HD3      MET   2  14.249  14.170   3.630

  No H/Q in entry =           9
  In of MODEL   14
    1    H    ASP   3           H        ASP   3  15.374   9.704   2.122
    2    HA   ASP   3           HB1      ASP   3  15.170   7.461   2.422
    3    HB2  ASP   3           HG2      ASP   3  12.982   8.576   4.072
    4    HB3  ASP   3           HG3      ASP   3  12.827   6.873   3.650

  No H/Q in entry =           4
  In of MODEL   14
    1    H    CYS   4           H        CYS   4  11.704   8.148   2.114
    2    HA   CYS   4           HB1      CYS   4  10.146   7.482   0.598
    3    HB2  CYS   4           HG2      CYS   4  12.565   7.747  -1.176
    4    HB3  CYS   4           HG3      CYS   4  11.003   7.248  -1.816

  No H/Q in entry =           4
  In of MODEL   14
    1    H    THR   5           H        THR   5   9.350   5.641  -0.596
    2    HG1  THR   5          HG21      THR   5   9.717   4.037   2.406
    3   HG21  THR   5          HG22      THR   5   8.792   1.221  -0.235
    4   HG22  THR   5          HG23      THR   5  10.250   1.058   0.743
    5   HG23  THR   5           HXT      THR   5   8.669   1.135   1.522
    6    HA   THR   5           HB1      THR   5  11.007   3.246  -0.588
    7    HB   THR   5          HG12      THR   5   8.382   3.404   0.907

  No H/Q in entry =           7
  In of MODEL   14
    1    H    THR   6           H        THR   6  10.209   1.568  -1.923
    2    HG1  THR   6          HG21      THR   6  11.034   0.313  -3.316
    3   HG21  THR   6          HG22      THR   6  10.267   3.161  -5.177
    4   HG22  THR   6          HG23      THR   6  11.471   2.415  -4.127
    5   HG23  THR   6           HXT      THR   6  11.334   1.908  -5.811
    6    HA   THR   6           HB1      THR   6   8.228   2.501  -3.882
    7    HB   THR   6          HG12      THR   6   9.236   0.893  -5.430

  No H/Q in entry =           7
  In of MODEL   14
    1    H    GLY   7           H        GLY   7   6.712   0.959  -4.766
    2    HA2  GLY   7           HA3      GLY   7   5.784  -0.898  -2.699
    3    HA3  GLY   7           HXT      GLY   7   6.094  -1.548  -4.301

  No H/Q in entry =           3
  In of MODEL   14
    1    HB2  PRO   8           HG2      PRO   8   0.871  -2.274  -3.545
    2    HB3  PRO   8           HG3      PRO   8   0.654  -2.402  -5.293
    3    HG2  PRO   8           HD2      PRO   8   2.174  -4.151  -3.980
    4    HD2  PRO   8           HD3      PRO   8   3.714  -2.801  -2.907
    5    HG3  PRO   8           HD3      PRO   8   2.638  -3.564  -5.589
    6    HD3  PRO   8           HXT      PRO   8   4.568  -3.002  -4.451
    7    HA   PRO   8           HB1      PRO   8   2.042  -0.626  -5.726

  No H/Q in entry =           7
  In of MODEL   14
    1    H    CYS   9           H        CYS   9   2.653  -0.268  -2.301
    2    HA   CYS   9           HB1      CYS   9   0.357   1.512  -1.988
    3    HB2  CYS   9           HG2      CYS   9   0.851  -0.217  -0.257
    4    HB3  CYS   9           HG3      CYS   9   2.361   0.617   0.092

  No H/Q in entry =           4
  In of MODEL   14
    1    H    CYS  10           H        CYS  10   2.308   2.478  -3.715
    2    HA   CYS  10           HB1      CYS  10   2.736   5.054  -2.761
    3    HB2  CYS  10           HG2      CYS  10   5.311   4.918  -2.654
    4    HB3  CYS  10           HG3      CYS  10   4.394   4.376  -1.253

  No H/Q in entry =           4
  In of MODEL   14
    1    H    ARG  11           H        ARG  11   3.307   6.405  -4.401
    2    HB2  ARG  11           HG2      ARG  11   2.208   7.369  -6.647
    3    HB3  ARG  11           HG3      ARG  11   3.672   8.141  -6.056
    4    HG2  ARG  11           HD2      ARG  11   4.578   8.345  -8.164
    5    HD2  ARG  11           HD3      ARG  11   1.644   8.715  -8.147
    6    HG3  ARG  11           HD3      ARG  11   3.608   7.026  -8.822
    7    HE   ARG  11          HH12      ARG  11   2.794   9.421 -10.683
    8   HH11  ARG  11          HH21      ARG  11   1.085   6.950  -8.907
    9   HH12  ARG  11          HH22      ARG  11   0.402   6.228 -10.324
   10    HD3  ARG  11           HXT      ARG  11   2.933   9.882  -8.443
   11   HH21  ARG  11           HXT      ARG  11   1.896   8.472 -12.549
   12   HH22  ARG  11           H1       ARG  11   0.862   7.091 -12.392
   13    HA   ARG  11           HB1      ARG  11   3.398   5.294  -7.037

  No H/Q in entry =          13
  In of MODEL   14
    1    H    GLN  12           H        GLN  12   5.574   7.835  -5.852
    2    HB2  GLN  12           HG2      GLN  12   7.196   9.011  -7.567
    3    HB3  GLN  12           HG3      GLN  12   8.843   8.399  -7.620
    4   HE21  GLN  12          HE22      GLN  12   8.267   5.099  -9.241
    5   HE22  GLN  12           HXT      GLN  12   9.755   5.288 -10.098
    6    HA   GLN  12           HB1      GLN  12   7.867   6.210  -6.702
    7    HG2  GLN  12           HD2      GLN  12   6.837   6.667  -8.878
    8    HG3  GLN  12           HD3      GLN  12   7.071   8.233  -9.654

  No H/Q in entry =           8
  In of MODEL   14
    1    H    CYS  13           H        CYS  13   6.498   7.611  -4.167
    2    HA   CYS  13           HB1      CYS  13   8.781   7.640  -2.566
    3    HB2  CYS  13           HG2      CYS  13   8.259  10.141  -3.985
    4    HB3  CYS  13           HG3      CYS  13   8.326  10.352  -2.238

  No H/Q in entry =           4
  In of MODEL   14
    1    H    LYS  14           H        LYS  14   5.615   9.131  -3.082
    2    HB2  LYS  14           HG2      LYS  14   3.443  10.062  -2.587
    3    HB3  LYS  14           HG3      LYS  14   2.881  10.125  -0.923
    4    HG2  LYS  14           HG3      LYS  14   4.226  11.861  -0.386
    5    HG3  LYS  14           HD2      LYS  14   5.516  11.341  -1.472
    6    HD2  LYS  14           HD3      LYS  14   3.773  11.982  -3.330
    7    HE2  LYS  14           HE3      LYS  14   5.663  13.651  -1.782
    8    HE3  LYS  14           HZ1      LYS  14   5.660  13.235  -3.495
    9    HZ1  LYS  14           HZ2      LYS  14   3.840  15.193  -2.201
   10    HZ2  LYS  14           HZ3      LYS  14   5.198  15.584  -3.131
   11    HD3  LYS  14           HXT      LYS  14   3.090  12.980  -2.044
   12    HZ3  LYS  14           HXT      LYS  14   3.874  14.811  -3.848
   13    HA   LYS  14           HB1      LYS  14   5.054   9.083  -0.226

  No H/Q in entry =          13
  In of MODEL   14
    1    H    LEU  15           H        LEU  15   3.657   7.716   0.773
    2   HD11  LEU  15          HD12      LEU  15   1.107   5.216   3.012
    3   HD12  LEU  15          HD13      LEU  15   2.359   4.510   4.034
    4   HD13  LEU  15          HD21      LEU  15   1.797   6.154   4.337
    5   HD21  LEU  15          HD22      LEU  15   5.213   5.903   2.525
    6   HD22  LEU  15          HD23      LEU  15   4.580   6.718   3.955
    7   HD23  LEU  15           HXT      LEU  15   4.529   4.958   3.847
    8    HG   LEU  15           HXT      LEU  15   2.858   6.999   2.444
    9    HA   LEU  15           HB1      LEU  15   2.751   5.418  -0.797
   10    HB2  LEU  15           HG2      LEU  15   2.412   4.340   1.410
   11    HB3  LEU  15           HG3      LEU  15   4.067   4.837   1.115

  No H/Q in entry =          11
  In of MODEL   14
    1    H    LYS  16           H        LYS  16   0.624   4.588  -0.587
    2    HB2  LYS  16           HG2      LYS  16  -1.771   3.568  -0.071
    3    HB3  LYS  16           HG3      LYS  16  -2.951   4.641  -0.809
    4    HG2  LYS  16           HG3      LYS  16  -1.148   4.907  -2.666
    5    HG3  LYS  16           HD2      LYS  16  -0.517   3.398  -2.002
    6    HD2  LYS  16           HD3      LYS  16  -2.293   2.179  -2.726
    7    HE2  LYS  16           HE3      LYS  16  -2.312   4.593  -4.518
    8    HE3  LYS  16           HZ1      LYS  16  -1.491   3.054  -4.777
    9    HZ1  LYS  16           HZ2      LYS  16  -4.441   3.348  -4.643
   10    HZ2  LYS  16           HZ3      LYS  16  -3.560   3.343  -6.087
   11    HD3  LYS  16           HXT      LYS  16  -3.429   3.513  -2.521
   12    HZ3  LYS  16           HXT      LYS  16  -3.571   1.971  -5.097
   13    HA   LYS  16           HB1      LYS  16  -1.412   6.494  -0.727

  No H/Q in entry =          13
  In of MODEL   14
    1    HB2  PRO  17           HG2      PRO  17  -5.410   6.912   2.564
    2    HB3  PRO  17           HG3      PRO  17  -4.737   8.394   3.251
    3    HG2  PRO  17           HD2      PRO  17  -5.378   8.256   0.668
    4    HD2  PRO  17           HD3      PRO  17  -4.151   6.448  -0.082
    5    HG3  PRO  17           HD3      PRO  17  -3.934   9.134   1.207
    6    HD3  PRO  17           HXT      PRO  17  -2.920   7.709  -0.299
    7    HA   PRO  17           HB1      PRO  17  -2.617   7.524   3.379

  No H/Q in entry =           7
  In of MODEL   14
    1    H    ALA  18           H        ALA  18  -3.172   6.595   5.322
    2    HA   ALA  18           HB1      ALA  18  -2.931   3.832   5.596
    3    HB1  ALA  18           HB2      ALA  18  -2.630   5.723   7.336
    4    HB2  ALA  18           HB3      ALA  18  -4.347   5.477   7.656
    5    HB3  ALA  18           HXT      ALA  18  -3.210   4.148   7.876

  No H/Q in entry =           5
  In of MODEL   14
    1    H    GLY  19           H        GLY  19  -4.297   2.257   5.102
    2    HA2  GLY  19           HA3      GLY  19  -7.164   2.655   5.589
    3    HA3  GLY  19           HXT      GLY  19  -6.357   1.105   5.411

  No H/Q in entry =           3
  In of MODEL   14
    1    H    THR  20           H        THR  20  -4.893   2.271   3.012
    2    HG1  THR  20          HG21      THR  20  -6.663   4.581   1.490
    3   HG21  THR  20          HG22      THR  20  -6.052   2.604  -1.303
    4   HG22  THR  20          HG23      THR  20  -6.760   4.161  -0.874
    5   HG23  THR  20           HXT      THR  20  -5.079   4.071  -1.402
    6    HA   THR  20           HB1      THR  20  -7.134   2.202   1.105
    7    HB   THR  20          HG12      THR  20  -4.346   3.239   0.585

  No H/Q in entry =           7
  In of MODEL   14
    1    H    THR  21           H        THR  21  -7.309   0.522  -0.224
    2    HG1  THR  21          HG21      THR  21  -6.292  -2.261  -3.164
    3   HG21  THR  21          HG22      THR  21  -7.488   0.369  -2.206
    4   HG22  THR  21          HG23      THR  21  -7.900  -0.858  -3.403
    5   HG23  THR  21           HXT      THR  21  -8.977  -0.561  -2.038
    6    HA   THR  21           HB1      THR  21  -5.726  -1.766  -0.004
    7    HB   THR  21          HG12      THR  21  -7.902  -2.070  -0.844

  No H/Q in entry =           7
  In of MODEL   14
    1    H    CYS  22           H        CYS  22  -4.525  -2.820  -1.819
    2    HA   CYS  22           HB1      CYS  22  -3.253  -1.086  -3.740
    3    HB2  CYS  22           HG2      CYS  22  -0.935  -1.744  -2.875
    4    HB3  CYS  22           HG3      CYS  22  -1.804  -0.508  -1.972

  No H/Q in entry =           4
  In of MODEL   14
    1    H    TRP  23           H        TRP  23  -4.861  -3.527  -3.721
    2    HE1  TRP  23           HE3      TRP  23  -1.339  -9.206  -6.267
    3    HE3  TRP  23           HZ2      TRP  23  -5.107  -8.911  -2.486
    4    HZ2  TRP  23           HZ3      TRP  23  -2.188 -11.745  -5.369
    5    HZ3  TRP  23           HH2      TRP  23  -5.189 -11.367  -2.360
    6    HH2  TRP  23           HXT      TRP  23  -3.760 -12.753  -3.773
    7    HA   TRP  23           HB1      TRP  23  -3.092  -5.153  -5.372
    8    HB2  TRP  23           HG2      TRP  23  -3.281  -6.020  -2.915
    9    HB3  TRP  23           HG3      TRP  23  -4.876  -6.566  -3.421
   10    HD1  TRP  23           HD2      TRP  23  -1.865  -6.733  -5.784

  No H/Q in entry =          10
  In of MODEL   14
    1    H    LYS  24           H        LYS  24  -6.362  -5.431  -4.019
    2    HB2  LYS  24           HG2      LYS  24  -7.466  -3.483  -6.021
    3    HB3  LYS  24           HG3      LYS  24  -7.526  -4.424  -7.505
    4    HG2  LYS  24           HG3      LYS  24  -9.937  -4.525  -5.814
    5    HG3  LYS  24           HD2      LYS  24  -9.580  -2.974  -6.577
    6    HD2  LYS  24           HD3      LYS  24  -9.472  -4.071  -8.760
    7    HE2  LYS  24           HE3      LYS  24 -11.681  -3.315  -7.632
    8    HE3  LYS  24           HZ1      LYS  24 -11.745  -4.280  -9.106
    9    HZ1  LYS  24           HZ2      LYS  24 -11.781  -5.643  -6.505
   10    HZ2  LYS  24           HZ3      LYS  24 -13.198  -4.906  -7.060
   11    HD3  LYS  24           HXT      LYS  24  -9.817  -5.626  -8.000
   12    HZ3  LYS  24           HXT      LYS  24 -12.461  -6.122  -7.977
   13    HA   LYS  24           HB1      LYS  24  -8.394  -5.758  -4.989

  No H/Q in entry =          13
  In of MODEL   14
    1    H    THR  25           H        THR  25  -7.785  -8.050  -5.117
    2    HG1  THR  25          HG21      THR  25  -7.330 -10.964  -4.303
    3   HG21  THR  25          HG22      THR  25  -5.288 -10.447  -7.479
    4   HG22  THR  25          HG23      THR  25  -4.947  -9.506  -6.027
    5   HG23  THR  25           HXT      THR  25  -5.009 -11.267  -5.943
    6    HA   THR  25           HB1      THR  25  -7.099  -9.012  -7.787
    7    HB   THR  25          HG12      THR  25  -7.350 -11.277  -6.369

  No H/Q in entry =           7
  In of MODEL   14
    1    H    SER  26           H        SER  26  -9.244  -8.148  -8.512
    2    HG   SER  26           HXT      SER  26 -12.243 -11.921 -10.026
    3    HA   SER  26           HB1      SER  26 -11.235  -8.699  -9.487
    4    HB2  SER  26           HG2      SER  26 -10.256 -11.143  -9.178
    5    HB3  SER  26           HG3      SER  26 -11.521 -11.244  -7.953

  No H/Q in entry =           5
  In of MODEL   14
    1    H    VAL  27           H        VAL  27 -11.180  -9.906  -6.149
    2    HB   VAL  27          HG12      VAL  27 -14.341 -10.352  -5.841
    3   HG11  VAL  27          HG12      VAL  27 -12.156 -11.464  -5.091
    4   HG12  VAL  27          HG13      VAL  27 -12.773 -11.260  -3.451
    5   HG13  VAL  27          HG21      VAL  27 -13.675 -12.226  -4.619
    6   HG21  VAL  27          HG22      VAL  27 -15.322  -8.795  -4.195
    7   HG22  VAL  27          HG23      VAL  27 -15.555 -10.486  -3.754
    8   HG23  VAL  27           HXT      VAL  27 -14.320  -9.525  -2.940
    9    HA   VAL  27           HB1      VAL  27 -13.411  -8.100  -5.539

  No H/Q in entry =           9
  In of MODEL   14
    1    H    SER  28           H        SER  28 -10.857 -10.168  -4.232
    2    HG   SER  28           HXT      SER  28  -8.435 -10.933  -0.511
    3    HA   SER  28           HB1      SER  28 -10.905  -8.942  -1.645
    4    HB2  SER  28           HG2      SER  28  -9.992 -11.315  -2.482
    5    HB3  SER  28           HG3      SER  28  -8.482 -10.407  -2.563

  No H/Q in entry =           5
  In of MODEL   14
    1    H    SER  29           H        SER  29  -8.648  -8.162  -0.780
    2    HG   SER  29           HXT      SER  29 -10.136  -4.600  -2.036
    3    HA   SER  29           HB1      SER  29  -6.875  -6.804  -2.475
    4    HB2  SER  29           HG2      SER  29  -7.786  -4.447  -1.536
    5    HB3  SER  29           HG3      SER  29  -8.276  -5.112  -3.094

  No H/Q in entry =           5
  In of MODEL   14
    1    H    HIS  30           H        HIS  30  -5.334  -5.475  -1.295
    2    HD1  HIS  30           HD2      HIS  30  -1.324  -7.881   1.036
    3    HD2  HIS  30           HE1      HIS  30  -5.122  -8.241  -0.611
    4    HE1  HIS  30           HE2      HIS  30  -1.592 -10.322   0.493
    5    HE2  HIS  30           HXT      HIS  30  -3.931 -10.529  -0.421
    6    HA   HIS  30           HB1      HIS  30  -5.249  -6.213   1.551
    7    HB2  HIS  30           HG2      HIS  30  -3.028  -5.575  -0.396
    8    HB3  HIS  30           HG3      HIS  30  -2.777  -5.792   1.333

  No H/Q in entry =           8
  In of MODEL   14
    1    H    TYR  31           H        TYR  31  -6.065  -4.577   2.712
    2    HD1  TYR  31           HD2      TYR  31  -8.012  -3.362   1.563
    3    HD2  TYR  31           HE1      TYR  31  -8.539  -0.492   4.659
    4    HE1  TYR  31           HE2      TYR  31 -10.153  -2.687   0.563
    5    HE2  TYR  31           HH       TYR  31 -10.684   0.190   3.669
    6    HH   TYR  31           HXT      TYR  31 -11.611  -0.068   0.928
    7    HA   TYR  31           HB1      TYR  31  -5.881  -1.844   1.943
    8    HB2  TYR  31           HG2      TYR  31  -6.949  -3.354   4.263
    9    HB3  TYR  31           HG3      TYR  31  -6.541  -1.664   4.543

  No H/Q in entry =           9
  In of MODEL   14
    1    H    CYS  32           H        CYS  32  -4.113  -0.643   2.032
    2    HA   CYS  32           HB1      CYS  32  -1.788  -1.390   3.473
    3    HB2  CYS  32           HG2      CYS  32  -2.085   0.123   1.346
    4    HB3  CYS  32           HG3      CYS  32  -2.231   1.417   2.530

  No H/Q in entry =           4
  In of MODEL   14
    1    H    THR  33           H        THR  33  -0.727  -0.155   5.156
    2    HG1  THR  33          HG21      THR  33   0.983  -0.386   8.020
    3   HG21  THR  33          HG22      THR  33  -2.758  -1.129   7.884
    4   HG22  THR  33          HG23      THR  33  -1.308  -2.127   7.772
    5   HG23  THR  33           HXT      THR  33  -1.728  -1.349   9.298
    6    HA   THR  33           HB1      THR  33  -2.674   0.948   7.058
    7    HB   THR  33          HG12      THR  33  -0.757   0.557   8.715

  No H/Q in entry =           7
  In of MODEL   14
    1    H    GLY  34           H        GLY  34  -1.130   2.309   4.762
    2    HA2  GLY  34           HA3      GLY  34  -0.931   4.845   5.827
    3    HA3  GLY  34           HXT      GLY  34  -0.082   4.318   4.383

  No H/Q in entry =           3
  In of MODEL   14
    1    H    ARG  35           H        ARG  35   1.416   2.274   5.960
    2    HB2  ARG  35           HG2      ARG  35   2.388   1.271   7.883
    3    HB3  ARG  35           HG3      ARG  35   4.039   1.707   8.300
    4    HG2  ARG  35           HD2      ARG  35   1.658   3.248   9.287
    5    HD2  ARG  35           HD3      ARG  35   4.309   2.966  10.637
    6    HG3  ARG  35           HD3      ARG  35   2.332   1.864  10.150
    7    HE   ARG  35          HH12      ARG  35   2.881   5.458  10.698
    8   HH11  ARG  35          HH21      ARG  35   3.190   2.303  12.157
    9   HH12  ARG  35          HH22      ARG  35   2.509   2.798  13.670
   10    HD3  ARG  35           HXT      ARG  35   4.113   4.113   9.312
   11   HH21  ARG  35           HXT      ARG  35   1.984   6.111  12.687
   12   HH22  ARG  35           H1       ARG  35   1.823   4.960  13.971
   13    HA   ARG  35           HB1      ARG  35   3.232   4.083   7.408

  No H/Q in entry =          13
  In of MODEL   14
    1    H    SER  36           H        SER  36   3.508   0.902   5.863
    2    HG   SER  36           HXT      SER  36   7.813  -0.209   5.695
    3    HA   SER  36           HB1      SER  36   5.959   1.856   4.537
    4    HB2  SER  36           HG2      SER  36   5.802  -0.219   6.258
    5    HB3  SER  36           HG3      SER  36   5.473  -1.061   4.744

  No H/Q in entry =           5
  In of MODEL   14
    1    H    CYS  37           H        CYS  37   6.442   0.782   2.435
    2    HA   CYS  37           HB1      CYS  37   4.209   1.048   0.685
    3    HB2  CYS  37           HG2      CYS  37   7.095   0.312   0.329
    4    HB3  CYS  37           HG3      CYS  37   5.964   0.108  -1.004

  No H/Q in entry =           4
  In of MODEL   14
    1    H    GLU  38           H        GLU  38   5.815  -1.633   2.219
    2    HB2  GLU  38           HG2      GLU  38   6.718  -3.726   2.342
    3    HB3  GLU  38           HG3      GLU  38   5.412  -4.126   3.449
    4    HA   GLU  38           HB1      GLU  38   4.819  -3.690   0.544
    5    HG2  GLU  38           HD2      GLU  38   4.929  -6.133   2.313
    6    HG3  GLU  38           HD3      GLU  38   5.921  -5.674   0.929

  No H/Q in entry =           6
  In of MODEL   14
    1    H    CYS  39           H        CYS  39   2.800  -4.367   0.328
    2    HA   CYS  39           HB1      CYS  39   0.704  -3.454   2.029
    3    HB2  CYS  39           HG2      CYS  39   0.678  -5.565  -0.138
    4    HB3  CYS  39           HG3      CYS  39  -0.751  -4.872   0.621

  No H/Q in entry =           4
  In of MODEL   14
    1    HB2  PRO  40           HG2      PRO  40  -1.894  -6.600   5.847
    2    HB3  PRO  40           HG3      PRO  40  -0.735  -5.330   6.257
    3    HG2  PRO  40           HD2      PRO  40  -2.806  -5.378   4.095
    4    HD2  PRO  40           HD3      PRO  40  -1.488  -4.178   2.640
    5    HG3  PRO  40           HD3      PRO  40  -2.376  -4.062   5.203
    6    HD3  PRO  40           HXT      PRO  40  -0.548  -3.437   3.951
    7    HA   PRO  40           HB1      PRO  40   0.691  -6.677   5.051

  No H/Q in entry =           7
  In of MODEL   14
    1    H    SER  41           H        SER  41   0.605  -8.828   4.901
    2    HG   SER  41           HXT      SER  41  -0.166 -12.600   2.967
    3    HA   SER  41           HB1      SER  41  -0.509 -10.166   2.709
    4    HB2  SER  41           HG2      SER  41   1.337 -11.132   3.952
    5    HB3  SER  41           HG3      SER  41   0.346 -11.240   5.407

  No H/Q in entry =           5
  In of MODEL   14
    1    H    TYR  42           H        TYR  42  -1.808  -9.409   5.862
    2    HD1  TYR  42           HD2      TYR  42  -1.235 -10.201   8.243
    3    HD2  TYR  42           HE1      TYR  42  -4.756  -7.824   8.017
    4    HE1  TYR  42           HE2      TYR  42  -0.064  -8.368   9.391
    5    HE2  TYR  42           HH       TYR  42  -3.595  -5.984   9.163
    6    HH   TYR  42           HXT      TYR  42  -0.549  -6.396  10.683
    7    HA   TYR  42           HB1      TYR  42  -4.171 -11.057   5.389
    8    HB2  TYR  42           HG2      TYR  42  -4.815 -10.286   7.696
    9    HB3  TYR  42           HG3      TYR  42  -3.310 -11.197   7.619

  No H/Q in entry =           9
  In of MODEL   14
    1    HB2  PRO  43           HG2      PRO  43  -9.114  -8.461   4.834
    2    HB3  PRO  43           HG3      PRO  43  -8.301  -9.285   3.498
    3    HG2  PRO  43           HD2      PRO  43  -8.480 -10.072   6.381
    4    HD2  PRO  43           HD3      PRO  43  -6.368 -10.994   6.384
    5    HG3  PRO  43           HD3      PRO  43  -8.652 -11.082   4.933
    6    HD3  PRO  43           HXT      PRO  43  -6.373 -11.251   4.627
    7    HA   PRO  43           HB1      PRO  43  -6.664  -7.728   3.923

  No H/Q in entry =           7
  In of MODEL   14
    1    H    GLY  44           H        GLY  44  -6.938  -5.707   4.629
    2    HA2  GLY  44           HA3      GLY  44  -7.966  -5.255   7.337
    3    HA3  GLY  44           HXT      GLY  44  -7.906  -4.066   6.044

  No H/Q in entry =           3
  In of MODEL   15
    1    H1   ALA   1           H1       ALA   1  16.016   9.532   6.859
    2    H2   ALA   1           H2       ALA   1  15.589  10.412   8.270
    3    H3   ALA   1           H3       ALA   1  16.121   8.786   8.398
    4    HA   ALA   1           HB1      ALA   1  14.220   7.969   7.388
    5    HB1  ALA   1           HB2      ALA   1  13.724  10.053   9.487
    6    HB2  ALA   1           HB3      ALA   1  12.424   9.035   8.867
    7    HB3  ALA   1           HXT      ALA   1  13.815   8.301   9.664

  No H/Q in entry =           7
  In of MODEL   15
    1    H    MET   2           H        MET   2  14.313   8.742   5.167
    2    HB2  MET   2           HG2      MET   2  14.195  11.834   4.908
    3    HB3  MET   2           HG3      MET   2  14.447  11.395   3.224
    4    HE1  MET   2           HE2      MET   2  13.800  14.766   2.301
    5    HE2  MET   2           HE3      MET   2  14.806  13.630   1.401
    6    HE3  MET   2           HXT      MET   2  13.574  14.574   0.562
    7    HA   MET   2           HB1      MET   2  12.005  10.326   4.527
    8    HG2  MET   2           HD2      MET   2  11.756  12.365   3.960
    9    HG3  MET   2           HD3      MET   2  13.067  13.543   3.985

  No H/Q in entry =           9
  In of MODEL   15
    1    H    ASP   3           H        ASP   3  12.990   7.635   4.066
    2    HA   ASP   3           HB1      ASP   3  13.924   7.340   1.411
    3    HB2  ASP   3           HG2      ASP   3  13.739   5.647   3.476
    4    HB3  ASP   3           HG3      ASP   3  12.268   5.186   2.625

  No H/Q in entry =           4
  In of MODEL   15
    1    H    CYS   4           H        CYS   4  12.624   6.092  -0.263
    2    HA   CYS   4           HB1      CYS   4   9.992   7.377  -0.521
    3    HB2  CYS   4           HG2      CYS   4  12.111   6.614  -2.470
    4    HB3  CYS   4           HG3      CYS   4  10.438   6.538  -3.013

  No H/Q in entry =           4
  In of MODEL   15
    1    H    THR   5           H        THR   5  11.666   4.317  -0.546
    2    HG1  THR   5          HG21      THR   5   9.427   0.608   0.476
    3   HG21  THR   5          HG22      THR   5   7.764   3.767   0.306
    4   HG22  THR   5          HG23      THR   5   7.978   3.292   1.991
    5   HG23  THR   5           HXT      THR   5   9.007   4.541   1.289
    6    HA   THR   5           HB1      THR   5  10.965   2.156  -0.817
    7    HB   THR   5          HG12      THR   5  10.247   2.499   1.431

  No H/Q in entry =           7
  In of MODEL   15
    1    H    THR   6           H        THR   6  10.624   2.574  -3.154
    2    HG1  THR   6          HG21      THR   6  11.327   3.347  -5.707
    3   HG21  THR   6          HG22      THR   6   7.757   2.488  -6.488
    4   HG22  THR   6          HG23      THR   6   9.111   3.145  -7.406
    5   HG23  THR   6           HXT      THR   6   8.926   1.399  -7.234
    6    HA   THR   6           HB1      THR   6   8.071   3.119  -4.218
    7    HB   THR   6          HG12      THR   6  10.304   1.540  -5.506

  No H/Q in entry =           7
  In of MODEL   15
    1    H    GLY   7           H        GLY   7   6.335   1.868  -4.581
    2    HA2  GLY   7           HA3      GLY   7   5.959  -0.564  -3.296
    3    HA3  GLY   7           HXT      GLY   7   6.443  -0.946  -4.942

  No H/Q in entry =           3
  In of MODEL   15
    1    HB2  PRO   8           HG2      PRO   8   1.283  -2.276  -3.886
    2    HB3  PRO   8           HG3      PRO   8   1.021  -2.627  -5.599
    3    HG2  PRO   8           HD2      PRO   8   2.747  -4.064  -4.171
    4    HD2  PRO   8           HD3      PRO   8   4.196  -2.487  -3.314
    5    HG3  PRO   8           HD3      PRO   8   3.104  -3.619  -5.850
    6    HD3  PRO   8           HXT      PRO   8   4.998  -2.738  -4.878
    7    HA   PRO   8           HB1      PRO   8   2.252  -0.810  -6.295

  No H/Q in entry =           7
  In of MODEL   15
    1    H    CYS   9           H        CYS   9   2.492  -0.292  -2.790
    2    HA   CYS   9           HB1      CYS   9   0.254   1.587  -2.902
    3    HB2  CYS   9           HG2      CYS   9   0.857  -0.296  -1.049
    4    HB3  CYS   9           HG3      CYS   9   1.632   1.111  -0.329

  No H/Q in entry =           4
  In of MODEL   15
    1    H    CYS  10           H        CYS  10   2.567   2.411  -4.228
    2    HA   CYS  10           HB1      CYS  10   3.268   4.756  -2.623
    3    HB2  CYS  10           HG2      CYS  10   5.049   2.659  -2.975
    4    HB3  CYS  10           HG3      CYS  10   5.527   3.814  -4.213

  No H/Q in entry =           4
  In of MODEL   15
    1    H    ARG  11           H        ARG  11   3.171   6.601  -3.752
    2    HB2  ARG  11           HG2      ARG  11   1.605   8.055  -4.569
    3    HB3  ARG  11           HG3      ARG  11   2.827   9.101  -5.279
    4    HG2  ARG  11           HD2      ARG  11   0.675   9.563  -6.258
    5    HD2  ARG  11           HD3      ARG  11   0.053   6.983  -5.919
    6    HG3  ARG  11           HD3      ARG  11   1.743   8.851  -7.470
    7    HE   ARG  11          HH12      ARG  11   1.464   6.818  -8.290
    8   HH11  ARG  11          HH21      ARG  11  -1.766   6.099  -7.181
    9   HH12  ARG  11          HH22      ARG  11  -2.003   4.813  -8.315
   10    HD3  ARG  11           HXT      ARG  11  -0.777   8.032  -7.067
   11   HH21  ARG  11           HXT      ARG  11   1.153   5.127  -9.783
   12   HH22  ARG  11           H1       ARG  11  -0.346   4.260  -9.793
   13    HA   ARG  11           HB1      ARG  11   2.497   6.459  -6.568

  No H/Q in entry =          13
  In of MODEL   15
    1    H    GLN  12           H        GLN  12   4.931   5.566  -6.565
    2    HB2  GLN  12           HG2      GLN  12   6.340   8.776  -7.956
    3    HB3  GLN  12           HG3      GLN  12   7.372   7.757  -8.950
    4   HE21  GLN  12          HE22      GLN  12   3.637   8.500 -10.971
    5   HE22  GLN  12           HXT      GLN  12   4.662   8.887 -12.308
    6    HA   GLN  12           HB1      GLN  12   6.923   5.840  -7.642
    7    HG2  GLN  12           HD2      GLN  12   5.118   6.485  -9.404
    8    HG3  GLN  12           HD3      GLN  12   4.414   8.035  -8.945

  No H/Q in entry =           8
  In of MODEL   15
    1    H    CYS  13           H        CYS  13   6.111   7.022  -4.741
    2    HA   CYS  13           HB1      CYS  13   8.613   7.025  -3.626
    3    HB2  CYS  13           HG2      CYS  13   8.070   9.514  -5.031
    4    HB3  CYS  13           HG3      CYS  13   8.403   9.788  -3.324

  No H/Q in entry =           4
  In of MODEL   15
    1    H    LYS  14           H        LYS  14   5.682   9.046  -3.520
    2    HB2  LYS  14           HG2      LYS  14   3.538  10.285  -0.889
    3    HB3  LYS  14           HG3      LYS  14   4.756  10.952  -1.966
    4    HG2  LYS  14           HG3      LYS  14   3.690  10.224  -3.853
    5    HG3  LYS  14           HD2      LYS  14   2.906   8.878  -3.024
    6    HD2  LYS  14           HD3      LYS  14   1.081  10.197  -3.156
    7    HE2  LYS  14           HE3      LYS  14   2.374  12.836  -2.875
    8    HE3  LYS  14           HZ1      LYS  14   2.733  11.946  -4.354
    9    HZ1  LYS  14           HZ2      LYS  14   0.101  11.647  -4.245
   10    HZ2  LYS  14           HZ3      LYS  14   0.238  13.146  -3.471
   11    HD3  LYS  14           HXT      LYS  14   1.785  10.972  -1.734
   12    HZ3  LYS  14           HXT      LYS  14   0.848  12.943  -5.035
   13    HA   LYS  14           HB1      LYS  14   5.635   9.070  -0.649

  No H/Q in entry =          13
  In of MODEL   15
    1    H    LEU  15           H        LEU  15   3.869   8.228   0.645
    2   HD11  LEU  15          HD12      LEU  15   3.000   5.458   4.263
    3   HD12  LEU  15          HD13      LEU  15   3.204   7.057   4.979
    4   HD13  LEU  15          HD21      LEU  15   1.660   6.604   4.257
    5   HD21  LEU  15          HD22      LEU  15   5.134   7.486   2.039
    6   HD22  LEU  15          HD23      LEU  15   4.516   8.699   3.160
    7   HD23  LEU  15           HXT      LEU  15   5.122   7.161   3.773
    8    HG   LEU  15           HXT      LEU  15   2.523   7.829   2.543
    9    HA   LEU  15           HB1      LEU  15   3.021   5.601  -0.326
   10    HB2  LEU  15           HG2      LEU  15   2.464   5.191   2.080
   11    HB3  LEU  15           HG3      LEU  15   4.161   5.484   1.752

  No H/Q in entry =          11
  In of MODEL   15
    1    H    LYS  16           H        LYS  16   0.922   4.992  -0.510
    2    HB2  LYS  16           HG2      LYS  16  -1.103   3.963  -0.656
    3    HB3  LYS  16           HG3      LYS  16  -2.607   4.865  -0.774
    4    HG2  LYS  16           HG3      LYS  16  -0.577   5.501  -2.808
    5    HG3  LYS  16           HD2      LYS  16  -1.271   3.881  -2.888
    6    HD2  LYS  16           HD3      LYS  16  -3.495   5.396  -2.504
    7    HE2  LYS  16           HE3      LYS  16  -2.587   5.192  -5.308
    8    HE3  LYS  16           HZ1      LYS  16  -2.633   3.692  -4.384
    9    HZ1  LYS  16           HZ2      LYS  16  -4.957   5.492  -4.334
   10    HZ2  LYS  16           HZ3      LYS  16  -4.720   4.482  -5.671
   11    HD3  LYS  16           HXT      LYS  16  -2.491   6.493  -3.454
   12    HZ3  LYS  16           HXT      LYS  16  -4.896   3.815  -4.127
   13    HA   LYS  16           HB1      LYS  16  -1.042   6.948  -0.941

  No H/Q in entry =          13
  In of MODEL   15
    1    HB2  PRO  17           HG2      PRO  17  -5.519   7.687   2.466
    2    HB3  PRO  17           HG3      PRO  17  -4.484   9.039   1.996
    3    HG2  PRO  17           HD2      PRO  17  -5.444   6.728   0.356
    4    HD2  PRO  17           HD3      PRO  17  -3.493   6.638  -0.882
    5    HG3  PRO  17           HD3      PRO  17  -5.325   8.442  -0.085
    6    HD3  PRO  17           HXT      PRO  17  -3.051   8.311  -0.486
    7    HA   PRO  17           HB1      PRO  17  -2.834   7.800   2.987

  No H/Q in entry =           7
  In of MODEL   15
    1    H    ALA  18           H        ALA  18  -3.515   6.778   4.817
    2    HA   ALA  18           HB1      ALA  18  -3.516   3.989   4.931
    3    HB1  ALA  18           HB2      ALA  18  -3.286   5.915   6.775
    4    HB2  ALA  18           HB3      ALA  18  -4.954   5.426   7.077
    5    HB3  ALA  18           HXT      ALA  18  -3.654   4.238   7.177

  No H/Q in entry =           5
  In of MODEL   15
    1    H    GLY  19           H        GLY  19  -5.277   2.579   5.715
    2    HA2  GLY  19           HA3      GLY  19  -7.991   3.254   5.593
    3    HA3  GLY  19           HXT      GLY  19  -7.346   1.627   5.437

  No H/Q in entry =           3
  In of MODEL   15
    1    H    THR  20           H        THR  20  -5.745   2.559   3.046
    2    HG1  THR  20          HG21      THR  20  -7.613   4.981   1.244
    3   HG21  THR  20          HG22      THR  20  -6.683   2.859  -1.262
    4   HG22  THR  20          HG23      THR  20  -7.309   4.496  -1.064
    5   HG23  THR  20           HXT      THR  20  -5.591   4.240  -1.369
    6    HA   THR  20           HB1      THR  20  -7.969   2.642   1.115
    7    HB   THR  20          HG12      THR  20  -5.150   3.679   0.763

  No H/Q in entry =           7
  In of MODEL   15
    1    H    THR  21           H        THR  21  -8.017   1.170  -0.520
    2    HG1  THR  21          HG21      THR  21  -9.453  -0.212  -0.633
    3   HG21  THR  21          HG22      THR  21  -7.965  -2.573  -0.032
    4   HG22  THR  21          HG23      THR  21  -9.518  -2.488  -0.865
    5   HG23  THR  21           HXT      THR  21  -8.143  -3.276  -1.639
    6    HA   THR  21           HB1      THR  21  -6.435  -1.197  -0.198
    7    HB   THR  21          HG12      THR  21  -7.818  -1.328  -2.657

  No H/Q in entry =           7
  In of MODEL   15
    1    H    CYS  22           H        CYS  22  -4.910  -2.061  -1.593
    2    HA   CYS  22           HB1      CYS  22  -3.830  -0.193  -3.601
    3    HB2  CYS  22           HG2      CYS  22  -1.595  -1.055  -3.090
    4    HB3  CYS  22           HG3      CYS  22  -2.350  -0.379  -1.650

  No H/Q in entry =           4
  In of MODEL   15
    1    H    TRP  23           H        TRP  23  -4.294  -3.585  -2.716
    2    HE1  TRP  23           HE3      TRP  23  -1.665  -8.318  -6.878
    3    HE3  TRP  23           HZ2      TRP  23  -4.992  -8.719  -2.712
    4    HZ2  TRP  23           HZ3      TRP  23  -2.281 -10.994  -6.224
    5    HZ3  TRP  23           HH2      TRP  23  -4.938 -11.172  -2.891
    6    HH2  TRP  23           HXT      TRP  23  -3.611 -12.285  -4.612
    7    HA   TRP  23           HB1      TRP  23  -3.428  -4.544  -5.287
    8    HB2  TRP  23           HG2      TRP  23  -3.403  -5.732  -2.924
    9    HB3  TRP  23           HG3      TRP  23  -5.014  -6.245  -3.415
   10    HD1  TRP  23           HD2      TRP  23  -2.253  -5.959  -6.032

  No H/Q in entry =          10
  In of MODEL   15
    1    H    LYS  24           H        LYS  24  -6.511  -4.985  -3.585
    2    HB2  LYS  24           HG2      LYS  24  -7.789  -2.751  -5.173
    3    HB3  LYS  24           HG3      LYS  24  -8.030  -3.497  -6.747
    4    HG2  LYS  24           HG3      LYS  24 -10.290  -3.533  -6.542
    5    HG3  LYS  24           HD2      LYS  24 -10.240  -3.710  -4.787
    6    HD2  LYS  24           HD3      LYS  24  -9.683  -1.387  -4.515
    7    HE2  LYS  24           HE3      LYS  24 -11.754  -1.075  -6.593
    8    HE3  LYS  24           HZ1      LYS  24 -12.106  -2.237  -5.315
    9    HZ1  LYS  24           HZ2      LYS  24 -11.130   0.448  -4.613
   10    HZ2  LYS  24           HZ3      LYS  24 -12.758   0.233  -5.018
   11    HD3  LYS  24           HXT      LYS  24  -9.518  -1.179  -6.259
   12    HZ3  LYS  24           HXT      LYS  24 -12.093  -0.611  -3.711
   13    HA   LYS  24           HB1      LYS  24  -8.660  -5.112  -4.322

  No H/Q in entry =          13
  In of MODEL   15
    1    H    THR  25           H        THR  25  -8.516  -7.335  -4.809
    2    HG1  THR  25          HG21      THR  25  -5.512  -9.316  -5.906
    3   HG21  THR  25          HG22      THR  25  -7.317  -9.570  -8.579
    4   HG22  THR  25          HG23      THR  25  -6.003 -10.357  -7.704
    5   HG23  THR  25           HXT      THR  25  -7.624 -11.053  -7.675
    6    HA   THR  25           HB1      THR  25  -8.431  -7.912  -7.697
    7    HB   THR  25          HG12      THR  25  -7.691  -9.999  -5.683

  No H/Q in entry =           7
  In of MODEL   15
    1    H    SER  26           H        SER  26  -9.519 -10.116  -8.143
    2    HG   SER  26           HXT      SER  26 -13.546 -11.397  -9.758
    3    HA   SER  26           HB1      SER  26 -12.169  -9.985  -6.951
    4    HB2  SER  26           HG2      SER  26 -11.487 -10.273  -9.509
    5    HB3  SER  26           HG3      SER  26 -11.498 -11.980  -9.066

  No H/Q in entry =           5
  In of MODEL   15
    1    H    VAL  27           H        VAL  27 -10.585 -10.828  -5.016
    2    HB   VAL  27          HG12      VAL  27 -10.096 -14.231  -5.936
    3   HG11  VAL  27          HG12      VAL  27  -8.417 -12.344  -5.647
    4   HG12  VAL  27          HG13      VAL  27  -7.812 -13.240  -4.254
    5   HG13  VAL  27          HG21      VAL  27  -7.760 -13.967  -5.859
    6   HG21  VAL  27          HG22      VAL  27 -10.615 -15.315  -3.640
    7   HG22  VAL  27          HG23      VAL  27  -9.324 -15.989  -4.636
    8   HG23  VAL  27           HXT      VAL  27  -8.931 -14.942  -3.272
    9    HA   VAL  27           HB1      VAL  27 -11.633 -13.309  -4.258

  No H/Q in entry =           9
  In of MODEL   15
    1    H    SER  28           H        SER  28  -8.937 -11.067  -3.941
    2    HG   SER  28           HXT      SER  28  -9.192 -12.626  -0.140
    3    HA   SER  28           HB1      SER  28  -9.445 -10.665  -1.170
    4    HB2  SER  28           HG2      SER  28  -7.050 -12.323  -1.963
    5    HB3  SER  28           HG3      SER  28  -7.128 -11.443  -0.437

  No H/Q in entry =           5
  In of MODEL   15
    1    H    SER  29           H        SER  29  -8.711  -8.711  -0.559
    2    HG   SER  29           HXT      SER  29 -10.206  -5.676  -1.471
    3    HA   SER  29           HB1      SER  29  -6.631  -7.433  -2.201
    4    HB2  SER  29           HG2      SER  29  -7.876  -5.312  -2.097
    5    HB3  SER  29           HG3      SER  29  -8.823  -6.567  -2.897

  No H/Q in entry =           5
  In of MODEL   15
    1    H    HIS  30           H        HIS  30  -5.583  -5.585  -1.129
    2    HD1  HIS  30           HD2      HIS  30  -2.135  -7.663   2.390
    3    HD2  HIS  30           HE1      HIS  30  -4.673  -7.993  -0.883
    4    HE1  HIS  30           HE2      HIS  30  -2.132 -10.103   1.780
    5    HE2  HIS  30           HXT      HIS  30  -3.743 -10.291  -0.147
    6    HA   HIS  30           HB1      HIS  30  -5.619  -5.838   1.806
    7    HB2  HIS  30           HG2      HIS  30  -3.180  -5.362   0.081
    8    HB3  HIS  30           HG3      HIS  30  -3.203  -5.505   1.835

  No H/Q in entry =           8
  In of MODEL   15
    1    H    TYR  31           H        TYR  31  -4.852  -3.927   2.964
    2    HD1  TYR  31           HD2      TYR  31  -8.027   0.172   2.256
    3    HD2  TYR  31           HE1      TYR  31  -7.571  -3.939   3.249
    4    HE1  TYR  31           HE2      TYR  31 -10.267  -0.288   1.352
    5    HE2  TYR  31           HH       TYR  31  -9.809  -4.412   2.347
    6    HH   TYR  31           HXT      TYR  31 -11.560  -2.133   0.485
    7    HA   TYR  31           HB1      TYR  31  -5.333  -1.446   1.447
    8    HB2  TYR  31           HG2      TYR  31  -6.143  -2.143   4.274
    9    HB3  TYR  31           HG3      TYR  31  -6.215  -0.513   3.614

  No H/Q in entry =           9
  In of MODEL   15
    1    H    CYS  32           H        CYS  32  -4.314   0.493   2.383
    2    HA   CYS  32           HB1      CYS  32  -1.604  -0.137   3.245
    3    HB2  CYS  32           HG2      CYS  32  -2.746   1.817   1.552
    4    HB3  CYS  32           HG3      CYS  32  -2.070   2.684   2.927

  No H/Q in entry =           4
  In of MODEL   15
    1    H    THR  33           H        THR  33  -0.579   1.056   4.978
    2    HG1  THR  33          HG21      THR  33   1.124   1.572   8.143
    3   HG21  THR  33          HG22      THR  33  -1.700  -0.786   6.738
    4   HG22  THR  33          HG23      THR  33   0.006  -1.141   7.012
    5   HG23  THR  33           HXT      THR  33  -1.126  -1.154   8.365
    6    HA   THR  33           HB1      THR  33  -2.481   1.678   7.134
    7    HB   THR  33          HG12      THR  33  -0.822   1.005   8.704

  No H/Q in entry =           7
  In of MODEL   15
    1    H    GLY  34           H        GLY  34  -1.152   3.421   4.922
    2    HA2  GLY  34           HA3      GLY  34  -1.147   5.836   6.265
    3    HA3  GLY  34           HXT      GLY  34  -0.322   5.554   4.740

  No H/Q in entry =           3
  In of MODEL   15
    1    H    ARG  35           H        ARG  35   1.685   3.842   5.438
    2    HB2  ARG  35           HG2      ARG  35   2.341   4.243   8.630
    3    HB3  ARG  35           HG3      ARG  35   3.138   2.838   7.936
    4    HG2  ARG  35           HD2      ARG  35   5.213   3.485   8.653
    5    HD2  ARG  35           HD3      ARG  35   3.339   3.420  10.547
    6    HG3  ARG  35           HD3      ARG  35   4.791   5.199   8.675
    7    HE   ARG  35          HH12      ARG  35   2.869   5.521  11.274
    8   HH11  ARG  35          HH21      ARG  35   6.209   5.451  10.265
    9   HH12  ARG  35          HH22      ARG  35   6.521   7.083  10.753
   10    HD3  ARG  35           HXT      ARG  35   5.037   3.742  10.898
   11   HH21  ARG  35           HXT      ARG  35   3.277   7.668  11.916
   12   HH22  ARG  35           H1       ARG  35   4.857   8.342  11.690
   13    HA   ARG  35           HB1      ARG  35   3.469   5.623   6.830

  No H/Q in entry =          13
  In of MODEL   15
    1    H    SER  36           H        SER  36   3.023   2.376   5.503
    2    HG   SER  36           HXT      SER  36   6.941   0.683   5.011
    3    HA   SER  36           HB1      SER  36   5.749   2.518   4.401
    4    HB2  SER  36           HG2      SER  36   4.852   0.571   5.989
    5    HB3  SER  36           HG3      SER  36   4.259  -0.063   4.454

  No H/Q in entry =           5
  In of MODEL   15
    1    H    CYS  37           H        CYS  37   5.944   1.147   2.318
    2    HA   CYS  37           HB1      CYS  37   3.653   1.770   0.572
    3    HB2  CYS  37           HG2      CYS  37   6.595   2.154   0.159
    4    HB3  CYS  37           HG3      CYS  37   5.554   1.868  -1.231

  No H/Q in entry =           4
  In of MODEL   15
    1    H    GLU  38           H        GLU  38   4.294  -0.714   2.023
    2    HB2  GLU  38           HG2      GLU  38   5.604  -4.163   1.148
    3    HB3  GLU  38           HG3      GLU  38   6.551  -2.694   0.953
    4    HA   GLU  38           HB1      GLU  38   4.492  -2.501  -0.309
    5    HG2  GLU  38           HD2      GLU  38   5.136  -2.117   3.194
    6    HG3  GLU  38           HD3      GLU  38   5.345  -3.860   3.352

  No H/Q in entry =           6
  In of MODEL   15
    1    H    CYS  39           H        CYS  39   2.533  -3.321  -0.630
    2    HA   CYS  39           HB1      CYS  39   0.451  -3.408   1.217
    3    HB2  CYS  39           HG2      CYS  39   0.858  -5.172  -1.205
    4    HB3  CYS  39           HG3      CYS  39  -0.668  -4.920  -0.364

  No H/Q in entry =           4
  In of MODEL   15
    1    HB2  PRO  40           HG2      PRO  40  -0.696  -6.449   4.893
    2    HB3  PRO  40           HG3      PRO  40   0.818  -6.459   5.806
    3    HG2  PRO  40           HD2      PRO  40  -0.524  -4.192   5.441
    4    HD2  PRO  40           HD3      PRO  40  -0.733  -4.040   3.149
    5    HG3  PRO  40           HD3      PRO  40   1.248  -4.220   5.373
    6    HD3  PRO  40           HXT      PRO  40   0.866  -3.285   3.302
    7    HA   PRO  40           HB1      PRO  40   2.113  -6.646   3.911

  No H/Q in entry =           7
  In of MODEL   15
    1    H    SER  41           H        SER  41   1.110  -8.807   4.678
    2    HG   SER  41           HXT      SER  41   0.856 -13.164   3.299
    3    HA   SER  41           HB1      SER  41  -0.051 -10.095   2.316
    4    HB2  SER  41           HG2      SER  41   2.132 -10.871   3.534
    5    HB3  SER  41           HG3      SER  41   1.012 -11.604   4.683

  No H/Q in entry =           5
  In of MODEL   15
    1    H    TYR  42           H        TYR  42  -1.677  -8.530   4.132
    2    HD1  TYR  42           HD2      TYR  42  -0.361  -9.760   6.524
    3    HD2  TYR  42           HE1      TYR  42  -3.794  -7.759   8.046
    4    HE1  TYR  42           HE2      TYR  42   1.095  -8.128   7.646
    5    HE2  TYR  42           HH       TYR  42  -2.346  -6.121   9.172
    6    HH   TYR  42           HXT      TYR  42   0.473  -6.415   9.995
    7    HA   TYR  42           HB1      TYR  42  -3.765 -10.448   4.570
    8    HB2  TYR  42           HG2      TYR  42  -4.033  -9.864   7.006
    9    HB3  TYR  42           HG3      TYR  42  -2.629 -10.858   6.634

  No H/Q in entry =           9
  In of MODEL   15
    1    HB2  PRO  43           HG2      PRO  43  -8.555  -7.563   4.796
    2    HB3  PRO  43           HG3      PRO  43  -7.915  -8.254   3.300
    3    HG2  PRO  43           HD2      PRO  43  -7.878  -9.380   6.074
    4    HD2  PRO  43           HD3      PRO  43  -5.830 -10.388   5.765
    5    HG3  PRO  43           HD3      PRO  43  -8.239 -10.195   4.541
    6    HD3  PRO  43           HXT      PRO  43  -6.012 -10.438   4.000
    7    HA   PRO  43           HB1      PRO  43  -6.163  -6.834   3.749

  No H/Q in entry =           7
  In of MODEL   15
    1    H    GLY  44           H        GLY  44  -7.887  -5.402   4.964
    2    HA2  GLY  44           HA3      GLY  44  -6.544  -4.318   7.241
    3    HA3  GLY  44           HXT      GLY  44  -8.022  -5.149   7.702

  No H/Q in entry =           3
  In of MODEL   16
    1    H1   ALA   1           H1       ALA   1  13.143   8.030   5.613
    2    H2   ALA   1           H2       ALA   1  14.680   8.422   6.263
    3    H3   ALA   1           H3       ALA   1  13.328   8.246   7.306
    4    HA   ALA   1           HB1      ALA   1  12.402  10.188   6.696
    5    HB1  ALA   1           HB2      ALA   1  14.900  10.237   7.660
    6    HB2  ALA   1           HB3      ALA   1  15.146  11.143   6.167
    7    HB3  ALA   1           HXT      ALA   1  13.958  11.694   7.347

  No H/Q in entry =           7
  In of MODEL   16
    1    H    MET   2           H        MET   2  15.193  10.067   4.480
    2    HB2  MET   2           HG2      MET   2  15.787  12.183   3.218
    3    HB3  MET   2           HG3      MET   2  16.422  11.027   2.055
    4    HE1  MET   2           HE2      MET   2  15.963  14.697  -0.211
    5    HE2  MET   2           HE3      MET   2  14.882  16.017   0.237
    6    HE3  MET   2           HXT      MET   2  16.413  15.803   1.087
    7    HA   MET   2           HB1      MET   2  13.465  11.186   2.384
    8    HG2  MET   2           HD2      MET   2  16.182  12.713   0.609
    9    HG3  MET   2           HD3      MET   2  14.495  12.202   0.577

  No H/Q in entry =           9
  In of MODEL   16
    1    H    ASP   3           H        ASP   3  13.391   8.394   3.063
    2    HA   ASP   3           HB1      ASP   3  14.665   7.158   0.719
    3    HB2  ASP   3           HG2      ASP   3  14.869   6.309   3.233
    4    HB3  ASP   3           HG3      ASP   3  13.352   5.511   2.830

  No H/Q in entry =           4
  In of MODEL   16
    1    H    CYS   4           H        CYS   4  13.273   7.444  -0.943
    2    HA   CYS   4           HB1      CYS   4  10.427   7.158  -0.610
    3    HB2  CYS   4           HG2      CYS   4  12.221   7.696  -2.964
    4    HB3  CYS   4           HG3      CYS   4  10.506   7.364  -3.183

  No H/Q in entry =           4
  In of MODEL   16
    1    H    THR   5           H        THR   5   9.542   5.216  -0.386
    2    HG1  THR   5          HG21      THR   5   8.652   0.871   0.456
    3   HG21  THR   5          HG22      THR   5   7.681   3.953  -0.096
    4   HG22  THR   5          HG23      THR   5   7.541   2.646   1.079
    5   HG23  THR   5           HXT      THR   5   8.612   4.009   1.400
    6    HA   THR   5           HB1      THR   5  10.793   2.885  -1.608
    7    HB   THR   5          HG12      THR   5  10.164   2.550   0.661

  No H/Q in entry =           7
  In of MODEL   16
    1    H    THR   6           H        THR   6   9.929   1.700  -3.238
    2    HG1  THR   6          HG21      THR   6  10.298   3.114  -5.441
    3   HG21  THR   6          HG22      THR   6   8.103   3.172  -6.856
    4   HG22  THR   6          HG23      THR   6   9.147   2.101  -7.790
    5   HG23  THR   6           HXT      THR   6   7.566   1.539  -7.248
    6    HA   THR   6           HB1      THR   6   7.666   2.889  -4.652
    7    HB   THR   6          HG12      THR   6   9.118   0.562  -5.788

  No H/Q in entry =           7
  In of MODEL   16
    1    H    GLY   7           H        GLY   7   5.973   1.529  -5.533
    2    HA2  GLY   7           HA3      GLY   7   5.122  -0.451  -3.584
    3    HA3  GLY   7           HXT      GLY   7   5.397  -1.066  -5.207

  No H/Q in entry =           3
  In of MODEL   16
    1    HB2  PRO   8           HG2      PRO   8  -0.409  -1.408  -4.607
    2    HB3  PRO   8           HG3      PRO   8   0.560  -2.130  -5.896
    3    HG2  PRO   8           HD2      PRO   8   1.091  -2.040  -2.951
    4    HD2  PRO   8           HD3      PRO   8   3.367  -1.865  -3.245
    5    HG3  PRO   8           HD3      PRO   8   1.287  -3.392  -4.081
    6    HD3  PRO   8           HXT      PRO   8   3.314  -2.619  -4.851
    7    HA   PRO   8           HB1      PRO   8   1.242   0.049  -6.181

  No H/Q in entry =           7
  In of MODEL   16
    1    H    CYS   9           H        CYS   9   1.985   0.297  -2.769
    2    HA   CYS   9           HB1      CYS   9  -0.229   2.158  -2.344
    3    HB2  CYS   9           HG2      CYS   9   0.923   0.219  -0.726
    4    HB3  CYS   9           HG3      CYS   9   1.540   1.729  -0.066

  No H/Q in entry =           4
  In of MODEL   16
    1    H    CYS  10           H        CYS  10   1.754   3.073  -4.076
    2    HA   CYS  10           HB1      CYS  10   2.345   5.586  -2.988
    3    HB2  CYS  10           HG2      CYS  10   4.898   5.322  -3.053
    4    HB3  CYS  10           HG3      CYS  10   4.052   4.673  -1.652

  No H/Q in entry =           4
  In of MODEL   16
    1    H    ARG  11           H        ARG  11   2.638   6.981  -4.620
    2    HB2  ARG  11           HG2      ARG  11   1.524   8.173  -6.674
    3    HB3  ARG  11           HG3      ARG  11   3.077   8.819  -6.166
    4    HG2  ARG  11           HD2      ARG  11   3.839   8.518  -8.557
    5    HD2  ARG  11           HD3      ARG  11   2.771  10.552  -9.335
    6    HG3  ARG  11           HD3      ARG  11   2.148   8.208  -8.955
    7    HE   ARG  11          HH12      ARG  11   4.055  10.437  -6.877
    8   HH11  ARG  11          HH21      ARG  11   1.815  12.539  -8.533
    9   HH12  ARG  11          HH22      ARG  11   2.357  13.966  -7.717
   10    HD3  ARG  11           HXT      ARG  11   1.520  10.390  -8.103
   11   HH21  ARG  11           HXT      ARG  11   4.769  12.314  -5.802
   12   HH22  ARG  11           H1       ARG  11   4.034  13.840  -6.166
   13    HA   ARG  11           HB1      ARG  11   2.548   6.067  -7.299

  No H/Q in entry =          13
  In of MODEL   16
    1    H    GLN  12           H        GLN  12   4.967   8.399  -6.157
    2    HB2  GLN  12           HG2      GLN  12   6.165   8.641  -8.803
    3    HB3  GLN  12           HG3      GLN  12   7.193   9.638  -7.784
    4   HE21  GLN  12          HE22      GLN  12   8.871   8.494 -11.430
    5   HE22  GLN  12           HXT      GLN  12   9.534  10.089 -11.453
    6    HA   GLN  12           HB1      GLN  12   7.085   6.701  -7.269
    7    HG2  GLN  12           HD2      GLN  12   8.976   7.788  -8.368
    8    HG3  GLN  12           HD3      GLN  12   7.927   7.553  -9.765

  No H/Q in entry =           8
  In of MODEL   16
    1    H    CYS  13           H        CYS  13   6.023   8.075  -4.582
    2    HA   CYS  13           HB1      CYS  13   8.491   7.995  -3.245
    3    HB2  CYS  13           HG2      CYS  13   7.752  10.575  -4.419
    4    HB3  CYS  13           HG3      CYS  13   8.071  10.663  -2.690

  No H/Q in entry =           4
  In of MODEL   16
    1    H    LYS  14           H        LYS  14   5.322   9.600  -3.243
    2    HB2  LYS  14           HG2      LYS  14   3.125  10.366  -2.407
    3    HB3  LYS  14           HG3      LYS  14   2.912  10.434  -0.663
    4    HG2  LYS  14           HG3      LYS  14   4.851  11.885  -0.463
    5    HG3  LYS  14           HD2      LYS  14   5.118  11.786  -2.205
    6    HD2  LYS  14           HD3      LYS  14   3.903  13.683  -2.249
    7    HE2  LYS  14           HE3      LYS  14   3.913  13.823   0.239
    8    HE3  LYS  14           HZ1      LYS  14   2.464  14.482  -0.518
    9    HZ1  LYS  14           HZ2      LYS  14   1.538  12.120  -0.101
   10    HZ2  LYS  14           HZ3      LYS  14   2.777  12.008   1.044
   11    HD3  LYS  14           HXT      LYS  14   2.531  12.580  -2.134
   12    HZ3  LYS  14           HXT      LYS  14   1.604  13.220   1.182
   13    HA   LYS  14           HB1      LYS  14   5.095   9.319  -0.366

  No H/Q in entry =          13
  In of MODEL   16
    1    H    LEU  15           H        LEU  15   3.182   8.299   0.606
    2   HD11  LEU  15          HD12      LEU  15   3.217   4.520   3.489
    3   HD12  LEU  15          HD13      LEU  15   3.217   5.933   4.544
    4   HD13  LEU  15          HD21      LEU  15   1.713   5.385   3.803
    5   HD21  LEU  15          HD22      LEU  15   4.786   7.164   1.493
    6   HD22  LEU  15          HD23      LEU  15   4.502   7.812   3.109
    7   HD23  LEU  15           HXT      LEU  15   5.123   6.173   2.913
    8    HG   LEU  15           HXT      LEU  15   2.367   7.228   2.517
    9    HA   LEU  15           HB1      LEU  15   2.351   5.916  -0.917
   10    HB2  LEU  15           HG2      LEU  15   2.064   4.852   1.353
   11    HB3  LEU  15           HG3      LEU  15   3.716   5.163   0.853

  No H/Q in entry =          11
  In of MODEL   16
    1    H    LYS  16           H        LYS  16   0.217   5.157  -0.641
    2    HB2  LYS  16           HG2      LYS  16  -2.142   4.168  -0.046
    3    HB3  LYS  16           HG3      LYS  16  -3.366   5.300  -0.606
    4    HG2  LYS  16           HG3      LYS  16  -1.622   5.650  -2.565
    5    HG3  LYS  16           HD2      LYS  16  -1.140   4.020  -2.087
    6    HD2  LYS  16           HD3      LYS  16  -3.236   3.124  -2.595
    7    HE2  LYS  16           HE3      LYS  16  -3.891   4.463  -4.812
    8    HE3  LYS  16           HZ1      LYS  16  -2.286   5.139  -4.545
    9    HZ1  LYS  16           HZ2      LYS  16  -1.767   2.566  -4.211
   10    HZ2  LYS  16           HZ3      LYS  16  -3.060   2.437  -5.294
   11    HD3  LYS  16           HXT      LYS  16  -4.021   4.705  -2.563
   12    HZ3  LYS  16           HXT      LYS  16  -1.687   3.327  -5.720
   13    HA   LYS  16           HB1      LYS  16  -1.766   7.121  -0.571

  No H/Q in entry =          13
  In of MODEL   16
    1    HB2  PRO  17           HG2      PRO  17  -5.611   7.001   2.974
    2    HB3  PRO  17           HG3      PRO  17  -5.107   8.546   3.668
    3    HG2  PRO  17           HD2      PRO  17  -5.893   8.395   1.131
    4    HD2  PRO  17           HD3      PRO  17  -4.501   6.798   0.218
    5    HG3  PRO  17           HD3      PRO  17  -4.541   9.440   1.604
    6    HD3  PRO  17           HXT      PRO  17  -3.439   8.204   0.002
    7    HA   PRO  17           HB1      PRO  17  -2.871   8.002   3.590

  No H/Q in entry =           7
  In of MODEL   16
    1    H    ALA  18           H        ALA  18  -2.911   6.985   5.540
    2    HA   ALA  18           HB1      ALA  18  -2.455   4.226   5.687
    3    HB1  ALA  18           HB2      ALA  18  -2.065   6.276   7.381
    4    HB2  ALA  18           HB3      ALA  18  -3.487   5.538   8.119
    5    HB3  ALA  18           HXT      ALA  18  -2.025   4.583   7.875

  No H/Q in entry =           5
  In of MODEL   16
    1    H    GLY  19           H        GLY  19  -3.845   2.622   5.385
    2    HA2  GLY  19           HA3      GLY  19  -6.535   2.851   6.542
    3    HA3  GLY  19           HXT      GLY  19  -5.729   1.351   6.105

  No H/Q in entry =           3
  In of MODEL   16
    1    H    THR  20           H        THR  20  -4.887   2.506   3.492
    2    HG1  THR  20          HG21      THR  20  -6.817   5.064   2.239
    3   HG21  THR  20          HG22      THR  20  -7.720   3.739   0.157
    4   HG22  THR  20          HG23      THR  20  -6.535   4.959  -0.308
    5   HG23  THR  20           HXT      THR  20  -6.316   3.283  -0.808
    6    HA   THR  20           HB1      THR  20  -7.502   2.567   2.143
    7    HB   THR  20          HG12      THR  20  -4.867   3.447   0.967

  No H/Q in entry =           7
  In of MODEL   16
    1    H    THR  21           H        THR  21  -7.515   1.576  -0.064
    2    HG1  THR  21          HG21      THR  21  -9.187   0.541  -0.392
    3   HG21  THR  21          HG22      THR  21  -8.042  -2.254   0.109
    4   HG22  THR  21          HG23      THR  21  -9.606  -1.578  -0.347
    5   HG23  THR  21           HXT      THR  21  -8.739  -2.629  -1.467
    6    HA   THR  21           HB1      THR  21  -6.382  -1.085   0.106
    7    HB   THR  21          HG12      THR  21  -7.703  -0.888  -2.334

  No H/Q in entry =           7
  In of MODEL   16
    1    H    CYS  22           H        CYS  22  -5.099  -2.058  -1.514
    2    HA   CYS  22           HB1      CYS  22  -3.876  -0.300  -3.497
    3    HB2  CYS  22           HG2      CYS  22  -1.597  -1.247  -2.800
    4    HB3  CYS  22           HG3      CYS  22  -2.300  -0.001  -1.775

  No H/Q in entry =           4
  In of MODEL   16
    1    H    TRP  23           H        TRP  23  -3.958  -3.573  -2.118
    2    HE1  TRP  23           HE3      TRP  23  -0.151  -8.235  -4.923
    3    HE3  TRP  23           HZ2      TRP  23  -4.839  -8.843  -2.426
    4    HZ2  TRP  23           HZ3      TRP  23  -0.952 -10.936  -4.745
    5    HZ3  TRP  23           HH2      TRP  23  -4.700 -11.280  -2.735
    6    HH2  TRP  23           HXT      TRP  23  -2.796 -12.303  -3.871
    7    HA   TRP  23           HB1      TRP  23  -3.064  -4.809  -4.544
    8    HB2  TRP  23           HG2      TRP  23  -3.094  -5.610  -1.957
    9    HB3  TRP  23           HG3      TRP  23  -4.518  -6.452  -2.558
   10    HD1  TRP  23           HD2      TRP  23  -1.041  -5.926  -4.218

  No H/Q in entry =          10
  In of MODEL   16
    1    H    LYS  24           H        LYS  24  -4.357  -6.472  -5.681
    2    HB2  LYS  24           HG2      LYS  24  -6.487  -4.178  -6.506
    3    HB3  LYS  24           HG3      LYS  24  -6.495  -5.097  -8.005
    4    HG2  LYS  24           HG3      LYS  24  -8.669  -4.557  -8.031
    5    HG3  LYS  24           HD2      LYS  24  -8.825  -5.918  -6.919
    6    HD2  LYS  24           HD3      LYS  24  -9.838  -4.410  -5.590
    7    HE2  LYS  24           HE3      LYS  24  -8.293  -2.223  -6.976
    8    HE3  LYS  24           HZ1      LYS  24  -9.953  -2.703  -7.325
    9    HZ1  LYS  24           HZ2      LYS  24 -10.408  -2.152  -4.909
   10    HZ2  LYS  24           HZ3      LYS  24  -8.905  -1.376  -4.898
   11    HD3  LYS  24           HXT      LYS  24  -8.189  -3.918  -5.201
   12    HZ3  LYS  24           HXT      LYS  24 -10.123  -0.843  -5.944
   13    HA   LYS  24           HB1      LYS  24  -7.155  -6.602  -5.538

  No H/Q in entry =          13
  In of MODEL   16
    1    H    THR  25           H        THR  25  -6.916  -8.757  -5.928
    2    HG1  THR  25          HG21      THR  25  -4.216 -11.313  -9.164
    3   HG21  THR  25          HG22      THR  25  -4.454  -9.565  -5.666
    4   HG22  THR  25          HG23      THR  25  -4.826 -11.286  -5.768
    5   HG23  THR  25           HXT      THR  25  -3.254 -10.690  -6.301
    6    HA   THR  25           HB1      THR  25  -6.599  -9.559  -8.664
    7    HB   THR  25          HG12      THR  25  -4.261  -9.506  -8.124

  No H/Q in entry =           7
  In of MODEL   16
    1    H    SER  26           H        SER  26  -7.662 -11.432  -9.086
    2    HG   SER  26           HXT      SER  26  -6.025 -14.035  -6.600
    3    HA   SER  26           HB1      SER  26  -9.066 -13.193  -8.773
    4    HB2  SER  26           HG2      SER  26  -8.062 -13.801  -6.050
    5    HB3  SER  26           HG3      SER  26  -8.264 -14.864  -7.443

  No H/Q in entry =           5
  In of MODEL   16
    1    H    VAL  27           H        VAL  27  -9.823 -10.532  -7.816
    2    HB   VAL  27          HG12      VAL  27 -12.465 -12.329  -5.884
    3   HG11  VAL  27          HG12      VAL  27 -13.776  -9.673  -6.105
    4   HG12  VAL  27          HG13      VAL  27 -14.756 -11.108  -6.403
    5   HG13  VAL  27          HG21      VAL  27 -13.927 -10.911  -4.859
    6   HG21  VAL  27          HG22      VAL  27 -12.020 -12.401  -8.296
    7   HG22  VAL  27          HG23      VAL  27 -13.740 -12.568  -7.945
    8   HG23  VAL  27           HXT      VAL  27 -13.105 -11.031  -8.532
    9    HA   VAL  27           HB1      VAL  27 -11.652  -9.585  -6.839

  No H/Q in entry =           9
  In of MODEL   16
    1    H    SER  28           H        SER  28  -9.121 -10.010  -5.457
    2    HG   SER  28           HXT      SER  28  -9.041 -12.062  -1.173
    3    HA   SER  28           HB1      SER  28 -10.101  -9.626  -2.720
    4    HB2  SER  28           HG2      SER  28  -9.045 -11.987  -3.263
    5    HB3  SER  28           HG3      SER  28  -7.528 -11.103  -3.099

  No H/Q in entry =           5
  In of MODEL   16
    1    H    SER  29           H        SER  29  -8.928  -8.173  -1.483
    2    HG   SER  29           HXT      SER  29  -9.419  -6.131  -3.789
    3    HA   SER  29           HB1      SER  29  -6.563  -6.936  -2.673
    4    HB2  SER  29           HG2      SER  29  -8.974  -5.335  -1.781
    5    HB3  SER  29           HG3      SER  29  -7.452  -4.676  -2.378

  No H/Q in entry =           5
  In of MODEL   16
    1    H    HIS  30           H        HIS  30  -5.685  -5.208  -1.087
    2    HD1  HIS  30           HD2      HIS  30  -2.618  -7.748   2.785
    3    HD2  HIS  30           HE1      HIS  30  -5.083  -8.351  -0.505
    4    HE1  HIS  30           HE2      HIS  30  -2.720 -10.241   2.470
    5    HE2  HIS  30           HXT      HIS  30  -4.147 -10.578   0.421
    6    HA   HIS  30           HB1      HIS  30  -6.068  -6.130   1.683
    7    HB2  HIS  30           HG2      HIS  30  -3.495  -5.696   0.181
    8    HB3  HIS  30           HG3      HIS  30  -3.553  -5.625   1.939

  No H/Q in entry =           8
  In of MODEL   16
    1    H    TYR  31           H        TYR  31  -4.913  -4.514   3.232
    2    HD1  TYR  31           HD2      TYR  31  -7.804  -3.518   2.300
    3    HD2  TYR  31           HE1      TYR  31  -7.819  -0.096   4.827
    4    HE1  TYR  31           HE2      TYR  31  -9.982  -2.852   1.374
    5    HE2  TYR  31           HH       TYR  31  -9.997   0.580   3.909
    6    HH   TYR  31           HXT      TYR  31 -11.224  -0.403   1.171
    7    HA   TYR  31           HB1      TYR  31  -5.445  -1.769   2.307
    8    HB2  TYR  31           HG2      TYR  31  -6.451  -3.210   4.706
    9    HB3  TYR  31           HG3      TYR  31  -6.014  -1.518   4.911

  No H/Q in entry =           9
  In of MODEL   16
    1    H    CYS  32           H        CYS  32  -4.060  -0.177   3.002
    2    HA   CYS  32           HB1      CYS  32  -1.536  -1.118   4.114
    3    HB2  CYS  32           HG2      CYS  32  -2.385   1.418   2.731
    4    HB3  CYS  32           HG3      CYS  32  -0.836   1.295   3.558

  No H/Q in entry =           4
  In of MODEL   16
    1    H    THR  33           H        THR  33  -0.410   0.353   5.691
    2    HG1  THR  33          HG21      THR  33  -1.253   0.140  10.331
    3   HG21  THR  33          HG22      THR  33   1.120   0.553   7.424
    4   HG22  THR  33          HG23      THR  33   1.295   0.093   9.117
    5   HG23  THR  33           HXT      THR  33   0.833  -1.116   7.918
    6    HA   THR  33           HB1      THR  33  -2.341   1.399   7.658
    7    HB   THR  33          HG12      THR  33  -1.277  -0.686   8.416

  No H/Q in entry =           7
  In of MODEL   16
    1    H    GLY  34           H        GLY  34  -0.862   2.777   5.468
    2    HA2  GLY  34           HA3      GLY  34  -0.253   5.162   6.764
    3    HA3  GLY  34           HXT      GLY  34   0.274   4.743   5.141

  No H/Q in entry =           3
  In of MODEL   16
    1    H    ARG  35           H        ARG  35   1.822   2.430   6.030
    2    HB2  ARG  35           HG2      ARG  35   3.080   0.953   7.427
    3    HB3  ARG  35           HG3      ARG  35   4.772   1.302   7.750
    4    HG2  ARG  35           HD2      ARG  35   3.721   2.992   9.488
    5    HD2  ARG  35           HD3      ARG  35   3.507   0.205  10.426
    6    HG3  ARG  35           HD3      ARG  35   2.369   1.863   9.394
    7    HE   ARG  35          HH12      ARG  35   4.134   2.527  11.657
    8   HH11  ARG  35          HH21      ARG  35   5.897  -0.437  11.125
    9   HH12  ARG  35          HH22      ARG  35   6.829  -0.290  12.577
   10    HD3  ARG  35           HXT      ARG  35   5.041   0.651   9.679
   11   HH21  ARG  35           HXT      ARG  35   5.360   2.723  13.566
   12   HH22  ARG  35           H1       ARG  35   6.524   1.504  13.963
   13    HA   ARG  35           HB1      ARG  35   4.001   3.797   7.461

  No H/Q in entry =          13
  In of MODEL   16
    1    H    SER  36           H        SER  36   3.747   1.028   5.257
    2    HG   SER  36           HXT      SER  36   7.164   0.590   5.834
    3    HA   SER  36           HB1      SER  36   5.790   2.278   3.551
    4    HB2  SER  36           HG2      SER  36   5.771  -0.519   4.671
    5    HB3  SER  36           HG3      SER  36   6.659  -0.124   3.200

  No H/Q in entry =           5
  In of MODEL   16
    1    H    CYS  37           H        CYS  37   5.969   0.988   1.414
    2    HA   CYS  37           HB1      CYS  37   3.395   1.043   0.189
    3    HB2  CYS  37           HG2      CYS  37   6.036   0.070  -0.920
    4    HB3  CYS  37           HG3      CYS  37   4.590   0.414  -1.863

  No H/Q in entry =           4
  In of MODEL   16
    1    H    GLU  38           H        GLU  38   5.486  -1.467   1.419
    2    HB2  GLU  38           HG2      GLU  38   6.433  -3.391   1.799
    3    HB3  GLU  38           HG3      GLU  38   5.249  -3.950   2.972
    4    HA   GLU  38           HB1      GLU  38   4.370  -3.690   0.139
    5    HG2  GLU  38           HD2      GLU  38   5.985  -5.977   2.379
    6    HG3  GLU  38           HD3      GLU  38   4.886  -5.768   1.016

  No H/Q in entry =           6
  In of MODEL   16
    1    H    CYS  39           H        CYS  39   2.171  -3.742   0.039
    2    HA   CYS  39           HB1      CYS  39   0.386  -3.085   2.080
    3    HB2  CYS  39           HG2      CYS  39  -0.021  -5.097  -0.141
    4    HB3  CYS  39           HG3      CYS  39  -1.291  -4.310   0.789

  No H/Q in entry =           4
  In of MODEL   16
    1    HB2  PRO  40           HG2      PRO  40  -1.057  -5.392   6.175
    2    HB3  PRO  40           HG3      PRO  40   0.507  -5.749   6.915
    3    HG2  PRO  40           HD2      PRO  40  -0.222  -3.235   6.442
    4    HD2  PRO  40           HD3      PRO  40  -0.688  -3.219   4.183
    5    HG3  PRO  40           HD3      PRO  40   1.454  -3.758   6.190
    6    HD3  PRO  40           HXT      PRO  40   1.059  -2.917   4.081
    7    HA   PRO  40           HB1      PRO  40   1.438  -6.444   4.928

  No H/Q in entry =           7
  In of MODEL   16
    1    H    SER  41           H        SER  41   0.002  -8.173   6.023
    2    HG   SER  41           HXT      SER  41  -0.604 -11.639   3.645
    3    HA   SER  41           HB1      SER  41  -1.764  -9.256   3.952
    4    HB2  SER  41           HG2      SER  41  -0.097 -10.462   6.121
    5    HB3  SER  41           HG3      SER  41  -1.517 -11.344   5.560

  No H/Q in entry =           5
  In of MODEL   16
    1    H    TYR  42           H        TYR  42  -2.728  -7.163   5.630
    2    HD1  TYR  42           HD2      TYR  42  -5.540  -7.261  10.202
    3    HD2  TYR  42           HE1      TYR  42  -1.638  -7.736   8.575
    4    HE1  TYR  42           HE2      TYR  42  -4.829  -8.409  12.257
    5    HE2  TYR  42           HH       TYR  42  -0.916  -8.886  10.625
    6    HH   TYR  42           HXT      TYR  42  -2.083  -8.717  13.337
    7    HA   TYR  42           HB1      TYR  42  -4.739  -8.604   7.232
    8    HB2  TYR  42           HG2      TYR  42  -3.285  -6.046   7.679
    9    HB3  TYR  42           HG3      TYR  42  -4.960  -6.130   8.215

  No H/Q in entry =           9
  In of MODEL   16
    1    HB2  PRO  43           HG2      PRO  43  -8.870  -8.997   4.648
    2    HB3  PRO  43           HG3      PRO  43  -8.408  -8.719   2.965
    3    HG2  PRO  43           HD2      PRO  43  -7.428 -10.794   4.313
    4    HD2  PRO  43           HD3      PRO  43  -6.450  -9.831   6.166
    5    HG3  PRO  43           HD3      PRO  43  -6.411  -9.881   3.183
    6    HD3  PRO  43           HXT      PRO  43  -5.078  -9.672   5.051
    7    HA   PRO  43           HB1      PRO  43  -6.990  -6.987   3.502

  No H/Q in entry =           7
  In of MODEL   16
    1    H    GLY  44           H        GLY  44  -7.394  -4.954   4.425
    2    HA2  GLY  44           HA3      GLY  44 -10.023  -4.450   5.249
    3    HA3  GLY  44           HXT      GLY  44  -8.688  -3.315   5.376

  No H/Q in entry =           3
  In of MODEL   17
    1    H1   ALA   1           H1       ALA   1  14.234   9.584   8.338
    2    H2   ALA   1           H2       ALA   1  12.542   9.294   8.357
    3    H3   ALA   1           H3       ALA   1  13.597   8.179   7.590
    4    HA   ALA   1           HB1      ALA   1  12.580   9.393   5.920
    5    HB1  ALA   1           HB2      ALA   1  13.544  12.021   6.866
    6    HB2  ALA   1           HB3      ALA   1  12.069  11.596   5.998
    7    HB3  ALA   1           HXT      ALA   1  12.182  11.315   7.736

  No H/Q in entry =           7
  In of MODEL   17
    1    H    MET   2           H        MET   2  13.922   8.861   4.335
    2    HB2  MET   2           HG2      MET   2  17.185   9.258   5.583
    3    HB3  MET   2           HG3      MET   2  16.829   7.702   4.846
    4    HE1  MET   2           HE2      MET   2  19.862   8.852   6.236
    5    HE2  MET   2           HE3      MET   2  20.909   7.434   6.287
    6    HE3  MET   2           HXT      MET   2  21.278   8.763   5.189
    7    HA   MET   2           HB1      MET   2  16.170  10.397   3.644
    8    HG2  MET   2           HD2      MET   2  18.217   8.724   2.850
    9    HG3  MET   2           HD3      MET   2  18.897   9.709   4.144

  No H/Q in entry =           9
  In of MODEL   17
    1    H    ASP   3           H        ASP   3  14.658   7.208   3.476
    2    HA   ASP   3           HB1      ASP   3  15.556   6.848   0.731
    3    HB2  ASP   3           HG2      ASP   3  14.312   5.120   2.807
    4    HB3  ASP   3           HG3      ASP   3  13.982   4.717   1.124

  No H/Q in entry =           4
  In of MODEL   17
    1    H    CYS   4           H        CYS   4  13.994   6.254  -0.956
    2    HA   CYS   4           HB1      CYS   4  11.670   8.012  -0.829
    3    HB2  CYS   4           HG2      CYS   4  13.382   6.922  -2.965
    4    HB3  CYS   4           HG3      CYS   4  11.671   7.008  -3.368

  No H/Q in entry =           4
  In of MODEL   17
    1    H    THR   5           H        THR   5   9.585   7.338  -0.955
    2    HG1  THR   5          HG21      THR   5   8.492   7.536   0.694
    3   HG21  THR   5          HG22      THR   5   8.598   4.566   1.421
    4   HG22  THR   5          HG23      THR   5   7.978   6.046   2.152
    5   HG23  THR   5           HXT      THR   5   6.865   4.760   1.684
    6    HA   THR   5           HB1      THR   5   9.121   4.481  -0.583
    7    HB   THR   5          HG12      THR   5   6.665   5.633  -0.330

  No H/Q in entry =           7
  In of MODEL   17
    1    H    THR   6           H        THR   6   8.784   3.310  -2.348
    2    HG1  THR   6          HG21      THR   6   7.749   3.921  -6.918
    3   HG21  THR   6          HG22      THR   6  10.004   2.567  -4.081
    4   HG22  THR   6          HG23      THR   6  10.477   2.706  -5.774
    5   HG23  THR   6           HXT      THR   6  10.801   4.031  -4.656
    6    HA   THR   6           HB1      THR   6   6.867   4.269  -4.333
    7    HB   THR   6          HG12      THR   6   8.898   4.914  -5.379

  No H/Q in entry =           7
  In of MODEL   17
    1    H    GLY   7           H        GLY   7   6.006   2.564  -5.691
    2    HA2  GLY   7           HA3      GLY   7   5.969   0.008  -4.248
    3    HA3  GLY   7           HXT      GLY   7   6.363  -0.007  -5.961

  No H/Q in entry =           3
  In of MODEL   17
    1    HB2  PRO   8           HG2      PRO   8   0.909  -2.266  -4.650
    2    HB3  PRO   8           HG3      PRO   8   1.974  -2.818  -5.948
    3    HG2  PRO   8           HD2      PRO   8   2.620  -2.252  -3.080
    4    HD2  PRO   8           HD3      PRO   8   4.732  -1.479  -3.586
    5    HG3  PRO   8           HD3      PRO   8   3.141  -3.608  -4.097
    6    HD3  PRO   8           HXT      PRO   8   4.795  -2.369  -5.121
    7    HA   PRO   8           HB1      PRO   8   1.981  -0.585  -6.492

  No H/Q in entry =           7
  In of MODEL   17
    1    H    CYS   9           H        CYS   9   2.747   0.245  -3.175
    2    HA   CYS   9           HB1      CYS   9   0.203   1.722  -2.997
    3    HB2  CYS   9           HG2      CYS   9   0.870  -0.256  -1.337
    4    HB3  CYS   9           HG3      CYS   9   1.728   1.052  -0.528

  No H/Q in entry =           4
  In of MODEL   17
    1    H    CYS  10           H        CYS  10   2.733   2.629  -4.169
    2    HA   CYS  10           HB1      CYS  10   2.940   5.119  -2.705
    3    HB2  CYS  10           HG2      CYS  10   5.290   3.257  -3.049
    4    HB3  CYS  10           HG3      CYS  10   5.479   4.979  -2.737

  No H/Q in entry =           4
  In of MODEL   17
    1    H    ARG  11           H        ARG  11   4.047   6.788  -3.909
    2    HB2  ARG  11           HG2      ARG  11   2.192   7.350  -6.363
    3    HB3  ARG  11           HG3      ARG  11   3.058   8.649  -5.555
    4    HG2  ARG  11           HD2      ARG  11   4.340   8.726  -7.875
    5    HD2  ARG  11           HD3      ARG  11   3.129  10.590  -6.874
    6    HG3  ARG  11           HD3      ARG  11   2.820   8.031  -8.441
    7    HE   ARG  11          HH12      ARG  11   0.922  10.154  -6.451
    8   HH11  ARG  11          HH21      ARG  11   1.624   9.319  -9.766
    9   HH12  ARG  11          HH22      ARG  11  -0.035   9.044 -10.179
   10    HD3  ARG  11           HXT      ARG  11   2.798  10.468  -8.602
   11   HH21  ARG  11           HXT      ARG  11  -1.260   9.792  -6.992
   12   HH22  ARG  11           H1       ARG  11  -1.673   9.313  -8.605
   13    HA   ARG  11           HB1      ARG  11   4.314   6.186  -6.779

  No H/Q in entry =          13
  In of MODEL   17
    1    H    GLN  12           H        GLN  12   6.480   6.244  -7.010
    2    HB2  GLN  12           HG2      GLN  12   6.845   9.484  -7.165
    3    HB3  GLN  12           HG3      GLN  12   8.509   9.790  -6.687
    4   HE21  GLN  12          HE22      GLN  12   6.555   8.460 -10.398
    5   HE22  GLN  12           HXT      GLN  12   5.958   9.992 -10.925
    6    HA   GLN  12           HB1      GLN  12   8.572   7.107  -7.221
    7    HG2  GLN  12           HD2      GLN  12   9.288   9.526  -8.765
    8    HG3  GLN  12           HD3      GLN  12   8.230   8.154  -9.096

  No H/Q in entry =           8
  In of MODEL   17
    1    H    CYS  13           H        CYS  13   7.349   9.352  -4.773
    2    HA   CYS  13           HB1      CYS  13   8.888   8.002  -2.702
    3    HB2  CYS  13           HG2      CYS  13   9.314  10.941  -3.264
    4    HB3  CYS  13           HG3      CYS  13  10.147   9.953  -2.068

  No H/Q in entry =           4
  In of MODEL   17
    1    H    LYS  14           H        LYS  14   6.060   8.444  -3.229
    2    HB2  LYS  14           HG2      LYS  14   4.364  10.499  -3.389
    3    HB3  LYS  14           HG3      LYS  14   3.288  10.619  -2.004
    4    HG2  LYS  14           HG3      LYS  14   4.681  12.199  -0.935
    5    HG3  LYS  14           HD2      LYS  14   6.006  11.897  -2.061
    6    HD2  LYS  14           HD3      LYS  14   5.165  13.837  -2.941
    7    HE2  LYS  14           HE3      LYS  14   3.117  13.547  -1.244
    8    HE3  LYS  14           HZ1      LYS  14   3.130  14.735  -2.546
    9    HZ1  LYS  14           HZ2      LYS  14   2.147  12.624  -3.823
   10    HZ2  LYS  14           HZ3      LYS  14   1.563  12.305  -2.268
   11    HD3  LYS  14           HXT      LYS  14   4.214  12.654  -3.841
   12    HZ3  LYS  14           HXT      LYS  14   1.176  13.763  -3.036
   13    HA   LYS  14           HB1      LYS  14   5.384   9.724  -0.686

  No H/Q in entry =          13
  In of MODEL   17
    1    H    LEU  15           H        LEU  15   4.418   8.193   0.463
    2   HD11  LEU  15          HD12      LEU  15   1.469   5.987   2.934
    3   HD12  LEU  15          HD13      LEU  15   2.060   6.994   4.256
    4   HD13  LEU  15          HD21      LEU  15   1.408   7.745   2.800
    5   HD21  LEU  15          HD22      LEU  15   4.608   5.417   3.453
    6   HD22  LEU  15          HD23      LEU  15   5.314   7.033   3.429
    7   HD23  LEU  15           HXT      LEU  15   4.032   6.648   4.577
    8    HG   LEU  15           HXT      LEU  15   3.593   7.922   2.262
    9    HA   LEU  15           HB1      LEU  15   3.101   5.962  -0.787
   10    HB2  LEU  15           HG2      LEU  15   2.728   5.174   1.500
   11    HB3  LEU  15           HG3      LEU  15   4.403   5.615   1.229

  No H/Q in entry =          11
  In of MODEL   17
    1    H    LYS  16           H        LYS  16   0.911   5.354  -0.492
    2    HB2  LYS  16           HG2      LYS  16  -1.085   4.512  -0.643
    3    HB3  LYS  16           HG3      LYS  16  -2.566   5.404  -0.325
    4    HG2  LYS  16           HG3      LYS  16  -2.484   6.436  -2.483
    5    HG3  LYS  16           HD2      LYS  16  -0.887   5.754  -2.797
    6    HD2  LYS  16           HD3      LYS  16  -2.194   3.488  -2.311
    7    HE2  LYS  16           HE3      LYS  16  -2.727   4.672  -4.987
    8    HE3  LYS  16           HZ1      LYS  16  -1.053   4.496  -4.465
    9    HZ1  LYS  16           HZ2      LYS  16  -3.022   2.275  -4.474
   10    HZ2  LYS  16           HZ3      LYS  16  -1.935   2.576  -5.736
   11    HD3  LYS  16           HXT      LYS  16  -3.559   4.461  -2.862
   12    HZ3  LYS  16           HXT      LYS  16  -1.356   2.162  -4.202
   13    HA   LYS  16           HB1      LYS  16  -0.932   7.475  -0.801

  No H/Q in entry =          13
  In of MODEL   17
    1    HB2  PRO  17           HG2      PRO  17  -5.029   8.394   3.048
    2    HB3  PRO  17           HG3      PRO  17  -4.015   9.704   2.434
    3    HG2  PRO  17           HD2      PRO  17  -5.223   7.394   0.967
    4    HD2  PRO  17           HD3      PRO  17  -3.425   7.199  -0.470
    5    HG3  PRO  17           HD3      PRO  17  -5.096   9.092   0.473
    6    HD3  PRO  17           HXT      PRO  17  -2.891   8.868  -0.183
    7    HA   PRO  17           HB1      PRO  17  -2.303   8.435   3.267

  No H/Q in entry =           7
  In of MODEL   17
    1    H    ALA  18           H        ALA  18  -2.844   7.490   5.187
    2    HA   ALA  18           HB1      ALA  18  -2.912   4.696   5.364
    3    HB1  ALA  18           HB2      ALA  18  -3.346   6.923   7.297
    4    HB2  ALA  18           HB3      ALA  18  -2.101   5.673   7.277
    5    HB3  ALA  18           HXT      ALA  18  -3.743   5.274   7.782

  No H/Q in entry =           5
  In of MODEL   17
    1    H    GLY  19           H        GLY  19  -4.513   3.402   4.750
    2    HA2  GLY  19           HA3      GLY  19  -7.278   4.221   5.390
    3    HA3  GLY  19           HXT      GLY  19  -6.720   2.555   5.372

  No H/Q in entry =           3
  In of MODEL   17
    1    H    THR  20           H        THR  20  -5.136   3.212   2.865
    2    HG1  THR  20          HG21      THR  20  -4.444   5.627   0.308
    3   HG21  THR  20          HG22      THR  20  -6.725   4.213  -1.231
    4   HG22  THR  20          HG23      THR  20  -5.108   4.824  -1.582
    5   HG23  THR  20           HXT      THR  20  -5.435   3.093  -1.670
    6    HA   THR  20           HB1      THR  20  -7.316   3.534   0.941
    7    HB   THR  20          HG12      THR  20  -4.359   3.330   0.365

  No H/Q in entry =           7
  In of MODEL   17
    1    H    THR  21           H        THR  21  -7.273   2.102  -1.002
    2    HG1  THR  21          HG21      THR  21  -9.835   0.974  -1.836
    3   HG21  THR  21          HG22      THR  21  -8.621  -1.671   0.221
    4   HG22  THR  21          HG23      THR  21 -10.047  -1.562  -0.811
    5   HG23  THR  21           HXT      THR  21  -8.621  -2.440  -1.366
    6    HA   THR  21           HB1      THR  21  -6.717  -0.665  -0.170
    7    HB   THR  21          HG12      THR  21  -8.442  -0.438  -2.488

  No H/Q in entry =           7
  In of MODEL   17
    1    H    CYS  22           H        CYS  22  -4.841  -1.329  -0.988
    2    HA   CYS  22           HB1      CYS  22  -3.998  -0.422  -3.632
    3    HB2  CYS  22           HG2      CYS  22  -1.850  -1.566  -3.046
    4    HB3  CYS  22           HG3      CYS  22  -2.304  -0.283  -1.930

  No H/Q in entry =           4
  In of MODEL   17
    1    H    TRP  23           H        TRP  23  -4.904  -3.351  -1.911
    2    HE1  TRP  23           HE3      TRP  23  -1.501  -7.564  -5.953
    3    HE3  TRP  23           HZ2      TRP  23  -5.087  -8.921  -2.226
    4    HZ2  TRP  23           HZ3      TRP  23  -1.947 -10.349  -5.827
    5    HZ3  TRP  23           HH2      TRP  23  -4.822 -11.294  -2.820
    6    HH2  TRP  23           HXT      TRP  23  -3.285 -11.992  -4.584
    7    HA   TRP  23           HB1      TRP  23  -4.799  -4.818  -4.465
    8    HB2  TRP  23           HG2      TRP  23  -3.579  -5.460  -2.035
    9    HB3  TRP  23           HG3      TRP  23  -4.980  -6.523  -2.120
   10    HD1  TRP  23           HD2      TRP  23  -2.339  -5.439  -4.768

  No H/Q in entry =          10
  In of MODEL   17
    1    H    LYS  24           H        LYS  24  -6.696  -5.361  -5.299
    2    HB2  LYS  24           HG2      LYS  24 -10.477  -4.569  -4.738
    3    HB3  LYS  24           HG3      LYS  24  -9.178  -3.620  -4.027
    4    HG2  LYS  24           HG3      LYS  24  -8.355  -2.989  -6.031
    5    HG3  LYS  24           HD2      LYS  24  -8.764  -4.522  -6.805
    6    HD2  LYS  24           HD3      LYS  24 -10.363  -3.300  -7.817
    7    HE2  LYS  24           HE3      LYS  24 -10.873  -1.391  -5.601
    8    HE3  LYS  24           HZ1      LYS  24  -9.351  -1.246  -6.480
    9    HZ1  LYS  24           HZ2      LYS  24 -10.994  -1.420  -8.520
   10    HZ2  LYS  24           HZ3      LYS  24 -12.082  -0.771  -7.399
   11    HD3  LYS  24           HXT      LYS  24 -11.234  -3.535  -6.300
   12    HZ3  LYS  24           HXT      LYS  24 -10.655   0.059  -7.772
   13    HA   LYS  24           HB1      LYS  24  -8.927  -6.014  -3.532

  No H/Q in entry =          13
  In of MODEL   17
    1    H    THR  25           H        THR  25  -7.192  -7.570  -5.261
    2    HG1  THR  25          HG21      THR  25  -6.249 -10.912  -8.064
    3   HG21  THR  25          HG22      THR  25  -6.720  -9.457  -4.804
    4   HG22  THR  25          HG23      THR  25  -6.854 -11.064  -5.518
    5   HG23  THR  25           HXT      THR  25  -5.348 -10.158  -5.664
    6    HA   THR  25           HB1      THR  25  -8.460  -8.199  -7.702
    7    HB   THR  25          HG12      THR  25  -6.146  -8.809  -7.299

  No H/Q in entry =           7
  In of MODEL   17
    1    H    SER  26           H        SER  26  -9.301 -10.485  -8.140
    2    HG   SER  26           HXT      SER  26 -11.159 -11.655 -10.198
    3    HA   SER  26           HB1      SER  26 -11.670 -10.855  -6.628
    4    HB2  SER  26           HG2      SER  26 -10.497 -12.866  -8.549
    5    HB3  SER  26           HG3      SER  26 -12.195 -12.602  -8.153

  No H/Q in entry =           5
  In of MODEL   17
    1    H    VAL  27           H        VAL  27  -8.488 -12.234  -6.458
    2    HB   VAL  27          HG12      VAL  27  -6.505 -13.200  -5.027
    3   HG11  VAL  27          HG12      VAL  27  -7.467 -15.935  -4.268
    4   HG12  VAL  27          HG13      VAL  27  -5.800 -15.661  -4.775
    5   HG13  VAL  27          HG21      VAL  27  -6.440 -14.826  -3.359
    6   HG21  VAL  27          HG22      VAL  27  -7.748 -15.138  -6.967
    7   HG22  VAL  27          HG23      VAL  27  -7.117 -13.525  -7.302
    8   HG23  VAL  27           HXT      VAL  27  -6.013 -14.833  -6.874
    9    HA   VAL  27           HB1      VAL  27  -9.199 -14.557  -4.964

  No H/Q in entry =           9
  In of MODEL   17
    1    H    SER  28           H        SER  28  -8.301 -11.268  -4.154
    2    HG   SER  28           HXT      SER  28  -8.694 -12.248   0.274
    3    HA   SER  28           HB1      SER  28  -9.474 -11.342  -1.614
    4    HB2  SER  28           HG2      SER  28  -7.202 -12.752  -1.445
    5    HB3  SER  28           HG3      SER  28  -6.534 -11.139  -1.198

  No H/Q in entry =           5
  In of MODEL   17
    1    H    SER  29           H        SER  29  -8.086  -9.470  -0.207
    2    HG   SER  29           HXT      SER  29 -10.938  -7.365  -0.391
    3    HA   SER  29           HB1      SER  29  -7.272  -7.287  -1.893
    4    HB2  SER  29           HG2      SER  29  -9.062  -5.747  -1.240
    5    HB3  SER  29           HG3      SER  29  -9.731  -7.142  -2.087

  No H/Q in entry =           5
  In of MODEL   17
    1    H    HIS  30           H        HIS  30  -6.320  -5.578  -0.736
    2    HD1  HIS  30           HD2      HIS  30  -4.357  -8.186   2.985
    3    HD2  HIS  30           HE1      HIS  30  -3.724  -7.752  -1.099
    4    HE1  HIS  30           HE2      HIS  30  -4.050 -10.520   2.100
    5    HE2  HIS  30           HXT      HIS  30  -3.581 -10.225  -0.358
    6    HA   HIS  30           HB1      HIS  30  -6.159  -5.880   2.174
    7    HB2  HIS  30           HG2      HIS  30  -3.706  -5.473   0.457
    8    HB3  HIS  30           HG3      HIS  30  -3.761  -5.743   2.196

  No H/Q in entry =           8
  In of MODEL   17
    1    H    TYR  31           H        TYR  31  -4.914  -3.957   3.134
    2    HD1  TYR  31           HD2      TYR  31  -8.168   0.410   2.963
    3    HD2  TYR  31           HE1      TYR  31  -7.625  -3.809   2.924
    4    HE1  TYR  31           HE2      TYR  31 -10.452   0.131   2.096
    5    HE2  TYR  31           HH       TYR  31  -9.907  -4.101   2.056
    6    HH   TYR  31           HXT      TYR  31 -12.161  -2.509   2.231
    7    HA   TYR  31           HB1      TYR  31  -5.443  -1.510   1.591
    8    HB2  TYR  31           HG2      TYR  31  -6.247  -2.084   4.445
    9    HB3  TYR  31           HG3      TYR  31  -6.192  -0.458   3.771

  No H/Q in entry =           9
  In of MODEL   17
    1    H    CYS  32           H        CYS  32  -4.422   0.441   2.775
    2    HA   CYS  32           HB1      CYS  32  -1.748  -0.368   3.714
    3    HB2  CYS  32           HG2      CYS  32  -2.621   1.557   1.690
    4    HB3  CYS  32           HG3      CYS  32  -1.481   2.240   2.845

  No H/Q in entry =           4
  In of MODEL   17
    1    H    THR  33           H        THR  33  -0.749   0.889   5.343
    2    HG1  THR  33          HG21      THR  33   0.632   0.812   7.084
    3   HG21  THR  33          HG22      THR  33  -2.528  -0.221   7.581
    4   HG22  THR  33          HG23      THR  33  -0.865  -0.784   7.411
    5   HG23  THR  33           HXT      THR  33  -1.552  -0.535   9.016
    6    HA   THR  33           HB1      THR  33  -2.681   2.290   7.058
    7    HB   THR  33          HG12      THR  33  -1.327   1.715   8.924

  No H/Q in entry =           7
  In of MODEL   17
    1    H    GLY  34           H        GLY  34  -1.045   3.370   4.725
    2    HA2  GLY  34           HA3      GLY  34  -0.610   5.942   5.678
    3    HA3  GLY  34           HXT      GLY  34   0.095   5.292   4.206

  No H/Q in entry =           3
  In of MODEL   17
    1    H    ARG  35           H        ARG  35   1.625   3.225   5.521
    2    HB2  ARG  35           HG2      ARG  35   2.372   3.173   8.252
    3    HB3  ARG  35           HG3      ARG  35   4.125   3.211   8.378
    4    HG2  ARG  35           HD2      ARG  35   2.269   5.578   8.499
    5    HD2  ARG  35           HD3      ARG  35   4.653   6.472   9.389
    6    HG3  ARG  35           HD3      ARG  35   3.151   4.856   9.846
    7    HE   ARG  35          HH12      ARG  35   4.376   6.769   6.545
    8   HH11  ARG  35          HH21      ARG  35   3.109   7.714   9.656
    9   HH12  ARG  35          HH22      ARG  35   2.426   9.192   9.069
   10    HD3  ARG  35           HXT      ARG  35   5.185   5.341   8.145
   11   HH21  ARG  35           HXT      ARG  35   3.478   8.713   5.770
   12   HH22  ARG  35           H1       ARG  35   2.635   9.760   6.862
   13    HA   ARG  35           HB1      ARG  35   3.887   4.842   6.299

  No H/Q in entry =          13
  In of MODEL   17
    1    H    SER  36           H        SER  36   3.343   3.116   4.109
    2    HG   SER  36           HXT      SER  36   2.381  -0.421   4.812
    3    HA   SER  36           HB1      SER  36   5.706   1.600   4.050
    4    HB2  SER  36           HG2      SER  36   4.960  -0.643   4.204
    5    HB3  SER  36           HG3      SER  36   4.228   0.177   5.583

  No H/Q in entry =           5
  In of MODEL   17
    1    H    CYS  37           H        CYS  37   5.829   0.214   2.054
    2    HA   CYS  37           HB1      CYS  37   4.084   1.315  -0.050
    3    HB2  CYS  37           HG2      CYS  37   7.028   0.647  -0.142
    4    HB3  CYS  37           HG3      CYS  37   6.065   0.968  -1.580

  No H/Q in entry =           4
  In of MODEL   17
    1    H    GLU  38           H        GLU  38   3.794  -1.158   1.548
    2    HB2  GLU  38           HG2      GLU  38   5.292  -3.448   1.594
    3    HB3  GLU  38           HG3      GLU  38   4.367  -4.813   0.983
    4    HA   GLU  38           HB1      GLU  38   3.446  -2.975  -0.699
    5    HG2  GLU  38           HD2      GLU  38   5.691  -3.224  -1.088
    6    HG3  GLU  38           HD3      GLU  38   6.785  -4.019   0.043

  No H/Q in entry =           6
  In of MODEL   17
    1    H    CYS  39           H        CYS  39   1.587  -4.082  -0.561
    2    HA   CYS  39           HB1      CYS  39  -0.276  -3.504   1.479
    3    HB2  CYS  39           HG2      CYS  39  -0.411  -5.805  -0.475
    4    HB3  CYS  39           HG3      CYS  39  -1.758  -5.018   0.340

  No H/Q in entry =           4
  In of MODEL   17
    1    HB2  PRO  40           HG2      PRO  40  -1.738  -6.888   5.686
    2    HB3  PRO  40           HG3      PRO  40  -0.781  -5.422   5.927
    3    HG2  PRO  40           HD2      PRO  40  -3.071  -5.905   4.060
    4    HD2  PRO  40           HD3      PRO  40  -2.192  -4.529   2.434
    5    HG3  PRO  40           HD3      PRO  40  -2.742  -4.496   5.086
    6    HD3  PRO  40           HXT      PRO  40  -1.217  -3.613   3.600
    7    HA   PRO  40           HB1      PRO  40   0.699  -6.520   4.553

  No H/Q in entry =           7
  In of MODEL   17
    1    H    SER  41           H        SER  41  -0.200  -8.676   5.443
    2    HG   SER  41           HXT      SER  41   1.719 -10.778   5.982
    3    HA   SER  41           HB1      SER  41  -0.779 -10.375   3.133
    4    HB2  SER  41           HG2      SER  41  -0.212 -11.586   5.784
    5    HB3  SER  41           HG3      SER  41   0.368 -12.049   4.185

  No H/Q in entry =           5
  In of MODEL   17
    1    H    TYR  42           H        TYR  42  -2.105  -9.378   6.207
    2    HD1  TYR  42           HD2      TYR  42  -1.604  -8.935   8.110
    3    HD2  TYR  42           HE1      TYR  42  -5.774  -8.296   8.664
    4    HE1  TYR  42           HE2      TYR  42  -1.141  -6.667   8.939
    5    HE2  TYR  42           HH       TYR  42  -5.322  -6.026   9.493
    6    HH   TYR  42           HXT      TYR  42  -3.532  -4.743  10.467
    7    HA   TYR  42           HB1      TYR  42  -4.289 -11.292   6.018
    8    HB2  TYR  42           HG2      TYR  42  -4.966 -10.475   8.202
    9    HB3  TYR  42           HG3      TYR  42  -3.242 -10.830   8.213

  No H/Q in entry =           9
  In of MODEL   17
    1    HB2  PRO  43           HG2      PRO  43  -8.672  -9.689   3.101
    2    HB3  PRO  43           HG3      PRO  43  -7.137  -9.755   2.228
    3    HG2  PRO  43           HD2      PRO  43  -8.164 -11.550   4.393
    4    HD2  PRO  43           HD3      PRO  43  -6.061 -11.882   5.276
    5    HG3  PRO  43           HD3      PRO  43  -7.330 -11.977   2.887
    6    HD3  PRO  43           HXT      PRO  43  -5.251 -11.477   3.749
    7    HA   PRO  43           HB1      PRO  43  -6.553  -8.117   3.732

  No H/Q in entry =           7
  In of MODEL   17
    1    H    GLY  44           H        GLY  44  -9.176  -7.789   3.747
    2    HA2  GLY  44           HA3      GLY  44  -9.923  -6.417   5.902
    3    HA3  GLY  44           HXT      GLY  44 -10.227  -8.058   6.450

  No H/Q in entry =           3
  In of MODEL   18
    1    H1   ALA   1           H1       ALA   1  18.250   8.474   4.386
    2    H2   ALA   1           H2       ALA   1  19.017   7.050   3.813
    3    H3   ALA   1           H3       ALA   1  19.931   8.248   4.633
    4    HA   ALA   1           HB1      ALA   1  19.607   9.782   2.901
    5    HB1  ALA   1           HB2      ALA   1  20.586   7.058   2.105
    6    HB2  ALA   1           HB3      ALA   1  21.526   8.472   2.580
    7    HB3  ALA   1           HXT      ALA   1  20.696   8.446   1.024

  No H/Q in entry =           7
  In of MODEL   18
    1    H    MET   2           H        MET   2  17.625  10.482   2.257
    2    HB2  MET   2           HG2      MET   2  17.435  10.281  -0.838
    3    HB3  MET   2           HG3      MET   2  17.028   8.572  -0.772
    4    HE1  MET   2           HE2      MET   2  13.203  10.883  -2.216
    5    HE2  MET   2           HE3      MET   2  13.475  12.502  -1.570
    6    HE3  MET   2           HXT      MET   2  13.504  12.232  -3.313
    7    HA   MET   2           HB1      MET   2  15.757  10.683   0.977
    8    HG2  MET   2           HD2      MET   2  15.606   9.105  -2.414
    9    HG3  MET   2           HD3      MET   2  14.575   9.635  -1.087

  No H/Q in entry =           9
  In of MODEL   18
    1    H    ASP   3           H        ASP   3  14.482   9.773   2.670
    2    HA   ASP   3           HB1      ASP   3  13.928   6.967   2.758
    3    HB2  ASP   3           HG2      ASP   3  13.665   8.937   4.573
    4    HB3  ASP   3           HG3      ASP   3  12.009   8.875   3.976

  No H/Q in entry =           4
  In of MODEL   18
    1    H    CYS   4           H        CYS   4  13.124   6.256   0.821
    2    HA   CYS   4           HB1      CYS   4  10.357   6.927   0.279
    3    HB2  CYS   4           HG2      CYS   4  12.565   7.419  -1.718
    4    HB3  CYS   4           HG3      CYS   4  10.881   7.228  -2.192

  No H/Q in entry =           4
  In of MODEL   18
    1    H    THR   5           H        THR   5   9.474   4.973   0.338
    2    HG1  THR   5          HG21      THR   5   9.890   3.137   2.353
    3   HG21  THR   5          HG22      THR   5   9.990   0.425   0.020
    4   HG22  THR   5          HG23      THR   5   8.729   0.409   1.253
    5   HG23  THR   5           HXT      THR   5   8.325   0.810  -0.416
    6    HA   THR   5           HB1      THR   5  10.931   2.685  -0.752
    7    HB   THR   5          HG12      THR   5   8.397   2.822   0.893

  No H/Q in entry =           7
  In of MODEL   18
    1    H    THR   6           H        THR   6   9.706   1.089  -2.050
    2    HG1  THR   6          HG21      THR   6  11.171   0.865  -4.906
    3   HG21  THR   6          HG22      THR   6   8.359   2.609  -5.963
    4   HG22  THR   6          HG23      THR   6   9.650   1.699  -6.748
    5   HG23  THR   6           HXT      THR   6   8.062   0.964  -6.526
    6    HA   THR   6           HB1      THR   6   7.838   2.458  -3.872
    7    HB   THR   6          HG12      THR   6   9.220   0.012  -4.803

  No H/Q in entry =           7
  In of MODEL   18
    1    H    GLY   7           H        GLY   7   6.138   1.179  -4.820
    2    HA2  GLY   7           HA3      GLY   7   4.967  -0.624  -2.890
    3    HA3  GLY   7           HXT      GLY   7   5.426  -1.399  -4.399

  No H/Q in entry =           3
  In of MODEL   18
    1    HB2  PRO   8           HG2      PRO   8  -0.319  -1.611  -4.797
    2    HB3  PRO   8           HG3      PRO   8   0.708  -2.373  -6.016
    3    HG2  PRO   8           HD2      PRO   8   0.999  -2.345  -3.040
    4    HD2  PRO   8           HD3      PRO   8   3.309  -2.295  -3.133
    5    HG3  PRO   8           HD3      PRO   8   1.256  -3.679  -4.179
    6    HD3  PRO   8           HXT      PRO   8   3.351  -2.914  -4.797
    7    HA   PRO   8           HB1      PRO   8   1.597  -0.282  -6.251

  No H/Q in entry =           7
  In of MODEL   18
    1    H    CYS   9           H        CYS   9   1.693   0.051  -2.752
    2    HA   CYS   9           HB1      CYS   9  -0.404   2.095  -2.846
    3    HB2  CYS   9           HG2      CYS   9  -0.518   0.281  -1.127
    4    HB3  CYS   9           HG3      CYS   9   0.972   0.906  -0.428

  No H/Q in entry =           4
  In of MODEL   18
    1    H    CYS  10           H        CYS  10   2.096   2.691  -4.036
    2    HA   CYS  10           HB1      CYS  10   2.687   5.156  -2.726
    3    HB2  CYS  10           HG2      CYS  10   4.102   3.017  -1.729
    4    HB3  CYS  10           HG3      CYS  10   5.202   3.662  -2.942

  No H/Q in entry =           4
  In of MODEL   18
    1    H    ARG  11           H        ARG  11   2.879   6.498  -4.388
    2    HB2  ARG  11           HG2      ARG  11   2.666   8.094  -5.702
    3    HB3  ARG  11           HG3      ARG  11   3.873   8.399  -6.944
    4    HG2  ARG  11           HD2      ARG  11   1.623   8.635  -7.826
    5    HD2  ARG  11           HD3      ARG  11   1.277   6.013  -6.535
    6    HG3  ARG  11           HD3      ARG  11   2.467   7.291  -8.597
    7    HE   ARG  11          HH12      ARG  11   0.939   5.902  -9.211
    8   HH11  ARG  11          HH21      ARG  11  -1.297   5.901  -6.532
    9   HH12  ARG  11          HH22      ARG  11  -2.482   4.946  -7.359
   10    HD3  ARG  11           HXT      ARG  11   0.103   7.293  -6.838
   11   HH21  ARG  11           HXT      ARG  11  -0.618   4.647 -10.300
   12   HH22  ARG  11           H1       ARG  11  -2.096   4.233  -9.498
   13    HA   ARG  11           HB1      ARG  11   3.407   5.634  -7.032

  No H/Q in entry =          13
  In of MODEL   18
    1    H    GLN  12           H        GLN  12   5.258   8.223  -5.472
    2    HB2  GLN  12           HG2      GLN  12   6.989   9.860  -6.279
    3    HB3  GLN  12           HG3      GLN  12   8.634   9.301  -6.548
    4   HE21  GLN  12          HE22      GLN  12   5.185  10.087  -7.440
    5   HE22  GLN  12           HXT      GLN  12   5.122  11.447  -8.504
    6    HA   GLN  12           HB1      GLN  12   7.718   6.940  -6.465
    7    HG2  GLN  12           HD2      GLN  12   8.252   8.807  -8.696
    8    HG3  GLN  12           HD3      GLN  12   6.649   8.151  -8.367

  No H/Q in entry =           8
  In of MODEL   18
    1    H    CYS  13           H        CYS  13   6.076   8.215  -3.733
    2    HA   CYS  13           HB1      CYS  13   8.067   7.284  -1.942
    3    HB2  CYS  13           HG2      CYS  13   9.034   9.490  -2.787
    4    HB3  CYS  13           HG3      CYS  13   7.718  10.280  -1.926

  No H/Q in entry =           4
  In of MODEL   18
    1    H    LYS  14           H        LYS  14   5.294   9.424  -2.417
    2    HB2  LYS  14           HG2      LYS  14   2.350  10.334  -0.560
    3    HB3  LYS  14           HG3      LYS  14   3.853  11.194  -0.862
    4    HG2  LYS  14           HG3      LYS  14   3.760  10.850  -3.125
    5    HG3  LYS  14           HD2      LYS  14   2.785   9.387  -2.972
    6    HD2  LYS  14           HD3      LYS  14   0.836  10.692  -2.405
    7    HE2  LYS  14           HE3      LYS  14   2.331  11.711  -4.808
    8    HE3  LYS  14           HZ1      LYS  14   1.105  10.445  -4.751
    9    HZ1  LYS  14           HZ2      LYS  14   0.332  13.099  -3.812
   10    HZ2  LYS  14           HZ3      LYS  14   0.548  12.906  -5.478
   11    HD3  LYS  14           HXT      LYS  14   1.792  12.175  -2.385
   12    HZ3  LYS  14           HXT      LYS  14  -0.572  11.944  -4.654
   13    HA   LYS  14           HB1      LYS  14   4.387   9.164   0.296

  No H/Q in entry =          13
  In of MODEL   18
    1    H    LEU  15           H        LEU  15   2.811   7.861   1.105
    2   HD11  LEU  15          HD12      LEU  15   1.733   4.291   3.736
    3   HD12  LEU  15          HD13      LEU  15   2.540   5.431   4.814
    4   HD13  LEU  15          HD21      LEU  15   0.886   5.738   4.283
    5   HD21  LEU  15          HD22      LEU  15   4.410   5.597   2.376
    6   HD22  LEU  15          HD23      LEU  15   4.105   7.327   2.530
    7   HD23  LEU  15           HXT      LEU  15   4.145   6.307   3.968
    8    HG   LEU  15           HXT      LEU  15   1.873   7.057   2.757
    9    HA   LEU  15           HB1      LEU  15   1.959   5.651  -0.620
   10    HB2  LEU  15           HG2      LEU  15   1.229   4.690   1.669
   11    HB3  LEU  15           HG3      LEU  15   2.933   4.725   1.260

  No H/Q in entry =          11
  In of MODEL   18
    1    H    LYS  16           H        LYS  16  -0.201   4.994  -0.747
    2    HB2  LYS  16           HG2      LYS  16  -2.795   4.110  -0.488
    3    HB3  LYS  16           HG3      LYS  16  -3.698   5.316  -1.394
    4    HG2  LYS  16           HG3      LYS  16  -1.455   5.379  -2.809
    5    HG3  LYS  16           HD2      LYS  16  -1.320   3.736  -2.179
    6    HD2  LYS  16           HD3      LYS  16  -3.145   2.996  -3.337
    7    HE2  LYS  16           HE3      LYS  16  -2.935   5.244  -5.225
    8    HE3  LYS  16           HZ1      LYS  16  -1.417   4.435  -4.836
    9    HZ1  LYS  16           HZ2      LYS  16  -2.901   2.322  -5.286
   10    HZ2  LYS  16           HZ3      LYS  16  -3.759   3.413  -6.253
   11    HD3  LYS  16           HXT      LYS  16  -3.933   4.575  -3.316
   12    HZ3  LYS  16           HXT      LYS  16  -2.115   3.138  -6.543
   13    HA   LYS  16           HB1      LYS  16  -2.114   7.014  -0.910

  No H/Q in entry =          13
  In of MODEL   18
    1    HB2  PRO  17           HG2      PRO  17  -6.504   6.740   1.986
    2    HB3  PRO  17           HG3      PRO  17  -6.147   8.287   2.762
    3    HG2  PRO  17           HD2      PRO  17  -6.535   8.149   0.134
    4    HD2  PRO  17           HD3      PRO  17  -4.984   6.595  -0.571
    5    HG3  PRO  17           HD3      PRO  17  -5.296   9.219   0.815
    6    HD3  PRO  17           HXT      PRO  17  -3.935   8.027  -0.611
    7    HA   PRO  17           HB1      PRO  17  -3.914   7.794   3.021

  No H/Q in entry =           7
  In of MODEL   18
    1    H    ALA  18           H        ALA  18  -4.295   6.767   4.936
    2    HA   ALA  18           HB1      ALA  18  -3.870   3.962   5.059
    3    HB1  ALA  18           HB2      ALA  18  -3.405   5.925   6.790
    4    HB2  ALA  18           HB3      ALA  18  -4.959   5.382   7.423
    5    HB3  ALA  18           HXT      ALA  18  -3.612   4.249   7.300

  No H/Q in entry =           5
  In of MODEL   18
    1    H    GLY  19           H        GLY  19  -5.377   2.556   4.419
    2    HA2  GLY  19           HA3      GLY  19  -8.126   2.949   5.426
    3    HA3  GLY  19           HXT      GLY  19  -7.376   1.377   5.196

  No H/Q in entry =           3
  In of MODEL   18
    1    H    THR  20           H        THR  20  -6.180   2.256   2.618
    2    HG1  THR  20          HG21      THR  20  -7.787   4.498  -1.257
    3   HG21  THR  20          HG22      THR  20  -5.081   3.357   0.843
    4   HG22  THR  20          HG23      THR  20  -5.421   2.726  -0.768
    5   HG23  THR  20           HXT      THR  20  -5.412   4.468  -0.487
    6    HA   THR  20           HB1      THR  20  -8.635   2.117   0.996
    7    HB   THR  20          HG12      THR  20  -7.360   4.315   0.890

  No H/Q in entry =           7
  In of MODEL   18
    1    H    THR  21           H        THR  21  -8.275   1.141  -1.181
    2    HG1  THR  21          HG21      THR  21  -8.829   0.624  -3.340
    3   HG21  THR  21          HG22      THR  21  -8.432  -2.588  -1.118
    4   HG22  THR  21          HG23      THR  21  -9.895  -2.113  -1.981
    5   HG23  THR  21           HXT      THR  21  -8.667  -3.083  -2.794
    6    HA   THR  21           HB1      THR  21  -6.840  -1.333  -0.878
    7    HB   THR  21          HG12      THR  21  -7.699  -1.236  -3.506

  No H/Q in entry =           7
  In of MODEL   18
    1    H    CYS  22           H        CYS  22  -5.246  -2.132  -2.364
    2    HA   CYS  22           HB1      CYS  22  -3.890  -0.211  -4.063
    3    HB2  CYS  22           HG2      CYS  22  -1.669  -0.771  -2.936
    4    HB3  CYS  22           HG3      CYS  22  -2.740   0.326  -2.071

  No H/Q in entry =           4
  In of MODEL   18
    1    H    TRP  23           H        TRP  23  -3.775  -3.453  -2.614
    2    HE1  TRP  23           HE3      TRP  23  -1.352  -9.052  -6.046
    3    HE3  TRP  23           HZ2      TRP  23  -3.228  -8.097  -1.131
    4    HZ2  TRP  23           HZ3      TRP  23  -1.638 -11.403  -4.509
    5    HZ3  TRP  23           HH2      TRP  23  -3.139 -10.502  -0.618
    6    HH2  TRP  23           HXT      TRP  23  -2.361 -12.120  -2.273
    7    HA   TRP  23           HB1      TRP  23  -2.323  -4.525  -4.863
    8    HB2  TRP  23           HG2      TRP  23  -1.906  -5.398  -2.616
    9    HB3  TRP  23           HG3      TRP  23  -3.582  -5.915  -2.490
   10    HD1  TRP  23           HD2      TRP  23  -1.742  -6.524  -5.763

  No H/Q in entry =          10
  In of MODEL   18
    1    H    LYS  24           H        LYS  24  -5.226  -5.939  -3.421
    2    HB2  LYS  24           HG2      LYS  24  -7.338  -4.385  -5.047
    3    HB3  LYS  24           HG3      LYS  24  -6.702  -4.875  -6.611
    4    HG2  LYS  24           HG3      LYS  24  -8.580  -6.377  -6.932
    5    HG3  LYS  24           HD2      LYS  24  -9.205  -5.961  -5.335
    6    HD2  LYS  24           HD3      LYS  24  -8.688  -3.771  -7.289
    7    HE2  LYS  24           HE3      LYS  24 -11.152  -3.939  -5.683
    8    HE3  LYS  24           HZ1      LYS  24  -9.652  -3.797  -4.769
    9    HZ1  LYS  24           HZ2      LYS  24  -9.141  -1.870  -6.323
   10    HZ2  LYS  24           HZ3      LYS  24 -10.775  -1.917  -6.754
   11    HD3  LYS  24           HXT      LYS  24 -10.118  -4.782  -7.506
   12    HZ3  LYS  24           HXT      LYS  24 -10.332  -1.615  -5.149
   13    HA   LYS  24           HB1      LYS  24  -7.119  -6.809  -4.334

  No H/Q in entry =          13
  In of MODEL   18
    1    H    THR  25           H        THR  25  -7.098  -8.807  -5.114
    2    HG1  THR  25          HG21      THR  25  -5.621 -11.682  -4.305
    3   HG21  THR  25          HG22      THR  25  -3.752  -9.816  -5.816
    4   HG22  THR  25          HG23      THR  25  -3.669 -11.532  -5.416
    5   HG23  THR  25           HXT      THR  25  -3.712 -11.021  -7.103
    6    HA   THR  25           HB1      THR  25  -5.568  -9.332  -7.574
    7    HB   THR  25          HG12      THR  25  -5.876 -11.804  -6.557

  No H/Q in entry =           7
  In of MODEL   18
    1    H    SER  26           H        SER  26  -7.838  -8.349  -8.210
    2    HG   SER  26           HXT      SER  26  -8.573 -10.323 -12.004
    3    HA   SER  26           HB1      SER  26  -9.808  -8.643  -9.308
    4    HB2  SER  26           HG2      SER  26  -8.244 -11.106  -9.884
    5    HB3  SER  26           HG3      SER  26  -9.951 -11.112 -10.327

  No H/Q in entry =           5
  In of MODEL   18
    1    H    VAL  27           H        VAL  27  -9.592  -9.486  -6.390
    2    HB   VAL  27          HG12      VAL  27 -11.546 -12.405  -6.924
    3   HG11  VAL  27          HG12      VAL  27  -9.195 -12.167  -5.917
    4   HG12  VAL  27          HG13      VAL  27  -9.912 -12.823  -4.446
    5   HG13  VAL  27          HG21      VAL  27  -9.933 -13.768  -5.935
    6   HG21  VAL  27          HG22      VAL  27 -13.269 -12.008  -4.996
    7   HG22  VAL  27          HG23      VAL  27 -12.795 -13.647  -5.445
    8   HG23  VAL  27           HXT      VAL  27 -12.080 -12.878  -4.028
    9    HA   VAL  27           HB1      VAL  27 -12.255 -10.223  -6.013

  No H/Q in entry =           9
  In of MODEL   18
    1    H    SER  28           H        SER  28  -9.010 -10.646  -4.668
    2    HG   SER  28           HXT      SER  28  -7.205 -11.042  -0.636
    3    HA   SER  28           HB1      SER  28 -10.044  -9.662  -2.089
    4    HB2  SER  28           HG2      SER  28  -9.384 -12.012  -1.909
    5    HB3  SER  28           HG3      SER  28  -7.790 -11.629  -2.557

  No H/Q in entry =           5
  In of MODEL   18
    1    H    SER  29           H        SER  29  -9.168  -7.842  -1.349
    2    HG   SER  29           HXT      SER  29  -9.941  -5.371  -1.842
    3    HA   SER  29           HB1      SER  29  -6.567  -6.997  -2.441
    4    HB2  SER  29           HG2      SER  29  -7.329  -4.721  -2.575
    5    HB3  SER  29           HG3      SER  29  -8.516  -5.727  -3.404

  No H/Q in entry =           5
  In of MODEL   18
    1    H    HIS  30           H        HIS  30  -5.209  -5.829  -1.064
    2    HD1  HIS  30           HD2      HIS  30  -2.600  -7.681   3.288
    3    HD2  HIS  30           HE1      HIS  30  -5.007  -8.768   0.080
    4    HE1  HIS  30           HE2      HIS  30  -2.895 -10.171   3.482
    5    HE2  HIS  30           HXT      HIS  30  -4.427 -10.793   1.581
    6    HA   HIS  30           HB1      HIS  30  -5.859  -6.126   1.787
    7    HB2  HIS  30           HG2      HIS  30  -3.287  -6.161   0.248
    8    HB3  HIS  30           HG3      HIS  30  -3.275  -5.723   1.954

  No H/Q in entry =           8
  In of MODEL   18
    1    H    TYR  31           H        TYR  31  -6.651  -4.305   2.617
    2    HD1  TYR  31           HD2      TYR  31  -9.201  -0.328   4.250
    3    HD2  TYR  31           HE1      TYR  31  -8.279  -3.417   1.472
    4    HE1  TYR  31           HE2      TYR  31 -11.460  -0.139   3.298
    5    HE2  TYR  31           HH       TYR  31 -10.535  -3.235   0.513
    6    HH   TYR  31           HXT      TYR  31 -12.337  -1.283   0.399
    7    HA   TYR  31           HB1      TYR  31  -6.352  -1.739   1.566
    8    HB2  TYR  31           HG2      TYR  31  -7.200  -2.807   4.233
    9    HB3  TYR  31           HG3      TYR  31  -6.970  -1.074   4.029

  No H/Q in entry =           9
  In of MODEL   18
    1    H    CYS  32           H        CYS  32  -5.079   0.028   2.142
    2    HA   CYS  32           HB1      CYS  32  -2.427  -0.662   3.062
    3    HB2  CYS  32           HG2      CYS  32  -3.281   1.078   1.193
    4    HB3  CYS  32           HG3      CYS  32  -3.139   2.174   2.563

  No H/Q in entry =           4
  In of MODEL   18
    1    H    THR  33           H        THR  33  -1.423   0.043   4.909
    2    HG1  THR  33          HG21      THR  33  -2.174   0.126   9.263
    3   HG21  THR  33          HG22      THR  33   0.282   0.741   6.277
    4   HG22  THR  33          HG23      THR  33   0.774   0.307   7.914
    5   HG23  THR  33           HXT      THR  33   0.424  -0.956   6.734
    6    HA   THR  33           HB1      THR  33  -3.197   0.901   7.050
    7    HB   THR  33          HG12      THR  33  -1.667  -0.987   7.434

  No H/Q in entry =           7
  In of MODEL   18
    1    H    GLY  34           H        GLY  34  -1.627   2.541   4.759
    2    HA2  GLY  34           HA3      GLY  34  -1.763   5.027   5.962
    3    HA3  GLY  34           HXT      GLY  34  -0.764   4.659   4.565

  No H/Q in entry =           3
  In of MODEL   18
    1    H    ARG  35           H        ARG  35   0.795   2.669   6.148
    2    HB2  ARG  35           HG2      ARG  35   1.218   2.269   8.686
    3    HB3  ARG  35           HG3      ARG  35   2.759   1.635   8.123
    4    HG2  ARG  35           HD2      ARG  35   3.957   3.146   9.577
    5    HD2  ARG  35           HD3      ARG  35   1.713   1.812  11.085
    6    HG3  ARG  35           HD3      ARG  35   2.442   3.896  10.086
    7    HE   ARG  35          HH12      ARG  35   4.335   1.905  12.252
    8   HH11  ARG  35          HH21      ARG  35   1.285   3.572  11.942
    9   HH12  ARG  35          HH22      ARG  35   1.474   4.453  13.422
   10    HD3  ARG  35           HXT      ARG  35   3.165   0.998  10.504
   11   HH21  ARG  35           HXT      ARG  35   4.585   3.061  14.198
   12   HH22  ARG  35           H1       ARG  35   3.347   4.163  14.702
   13    HA   ARG  35           HB1      ARG  35   2.331   4.553   7.812

  No H/Q in entry =          13
  In of MODEL   18
    1    H    SER  36           H        SER  36   2.512   2.046   5.358
    2    HG   SER  36           HXT      SER  36   5.585   1.415   6.691
    3    HA   SER  36           HB1      SER  36   5.222   2.978   4.708
    4    HB2  SER  36           HG2      SER  36   4.456   0.074   4.465
    5    HB3  SER  36           HG3      SER  36   6.067   0.791   4.453

  No H/Q in entry =           5
  In of MODEL   18
    1    H    CYS  37           H        CYS  37   5.886   2.148   2.470
    2    HA   CYS  37           HB1      CYS  37   3.917   3.023   0.602
    3    HB2  CYS  37           HG2      CYS  37   6.715   1.955   0.367
    4    HB3  CYS  37           HG3      CYS  37   5.731   2.209  -1.069

  No H/Q in entry =           4
  In of MODEL   18
    1    H    GLU  38           H        GLU  38   5.012  -0.079   1.743
    2    HB2  GLU  38           HG2      GLU  38   5.878  -2.128   0.941
    3    HB3  GLU  38           HG3      GLU  38   4.725  -2.934   1.995
    4    HA   GLU  38           HB1      GLU  38   3.638  -1.513  -0.381
    5    HG2  GLU  38           HD2      GLU  38   4.162  -4.487   0.430
    6    HG3  GLU  38           HD3      GLU  38   4.509  -3.412  -0.924

  No H/Q in entry =           6
  In of MODEL   18
    1    H    CYS  39           H        CYS  39   2.044  -3.178   0.122
    2    HA   CYS  39           HB1      CYS  39   0.150  -2.208   2.109
    3    HB2  CYS  39           HG2      CYS  39  -0.274  -4.480   0.170
    4    HB3  CYS  39           HG3      CYS  39  -1.496  -3.510   0.986

  No H/Q in entry =           4
  In of MODEL   18
    1    HB2  PRO  40           HG2      PRO  40  -2.030  -5.650   5.253
    2    HB3  PRO  40           HG3      PRO  40  -0.973  -5.230   6.605
    3    HG2  PRO  40           HD2      PRO  40  -2.585  -3.406   5.530
    4    HD2  PRO  40           HD3      PRO  40  -1.999  -3.408   3.299
    5    HG3  PRO  40           HD3      PRO  40  -0.948  -2.975   6.059
    6    HD3  PRO  40           HXT      PRO  40  -0.783  -2.251   3.876
    7    HA   PRO  40           HB1      PRO  40   0.910  -5.163   5.283

  No H/Q in entry =           7
  In of MODEL   18
    1    H    SER  41           H        SER  41   0.218  -7.478   5.925
    2    HG   SER  41           HXT      SER  41   2.170 -11.560   4.812
    3    HA   SER  41           HB1      SER  41  -0.067  -9.088   3.471
    4    HB2  SER  41           HG2      SER  41   2.189  -9.302   4.333
    5    HB3  SER  41           HG3      SER  41   1.576  -9.666   5.946

  No H/Q in entry =           5
  In of MODEL   18
    1    H    TYR  42           H        TYR  42  -2.193  -8.148   5.218
    2    HD1  TYR  42           HD2      TYR  42  -0.756  -9.417   8.771
    3    HD2  TYR  42           HE1      TYR  42  -4.417  -7.449   7.861
    4    HE1  TYR  42           HE2      TYR  42   0.081  -7.373   9.850
    5    HE2  TYR  42           HH       TYR  42  -3.589  -5.399   8.937
    6    HH   TYR  42           HXT      TYR  42  -0.500  -4.766   9.559
    7    HA   TYR  42           HB1      TYR  42  -3.505 -10.675   5.638
    8    HB2  TYR  42           HG2      TYR  42  -4.098 -10.095   8.038
    9    HB3  TYR  42           HG3      TYR  42  -2.442 -10.625   7.762

  No H/Q in entry =           9
  In of MODEL   18
    1    HB2  PRO  43           HG2      PRO  43  -9.015  -9.644   5.664
    2    HB3  PRO  43           HG3      PRO  43  -8.138 -10.160   4.219
    3    HG2  PRO  43           HD2      PRO  43  -7.782 -11.030   7.061
    4    HD2  PRO  43           HD3      PRO  43  -5.504 -11.283   6.823
    5    HG3  PRO  43           HD3      PRO  43  -7.799 -12.012   5.584
    6    HD3  PRO  43           HXT      PRO  43  -5.614 -11.492   5.064
    7    HA   PRO  43           HB1      PRO  43  -6.995  -8.197   4.574

  No H/Q in entry =           7
  In of MODEL   18
    1    H    GLY  44           H        GLY  44  -6.523  -6.342   5.846
    2    HA2  GLY  44           HA3      GLY  44  -8.488  -5.715   7.782
    3    HA3  GLY  44           HXT      GLY  44  -7.087  -4.732   7.385

  No H/Q in entry =           3
  In of MODEL   19
    1    H1   ALA   1           H1       ALA   1  14.215   6.699  10.422
    2    H2   ALA   1           H2       ALA   1  15.843   7.237  10.488
    3    H3   ALA   1           H3       ALA   1  14.658   8.180   9.681
    4    HA   ALA   1           HB1      ALA   1  15.966   7.084   8.091
    5    HB1  ALA   1           HB2      ALA   1  16.943   5.282   9.165
    6    HB2  ALA   1           HB3      ALA   1  15.776   4.500   8.099
    7    HB3  ALA   1           HXT      ALA   1  15.408   4.702   9.811

  No H/Q in entry =           7
  In of MODEL   19
    1    H    MET   2           H        MET   2  14.565   7.769   6.581
    2    HB2  MET   2           HG2      MET   2  11.551   7.565   7.631
    3    HB3  MET   2           HG3      MET   2  11.531   8.777   6.357
    4    HE1  MET   2           HE2      MET   2   7.593   7.274   5.181
    5    HE2  MET   2           HE3      MET   2   7.197   6.029   6.366
    6    HE3  MET   2           HXT      MET   2   6.523   7.651   6.531
    7    HA   MET   2           HB1      MET   2  12.468   6.000   5.739
    8    HG2  MET   2           HD2      MET   2   9.935   7.624   5.116
    9    HG3  MET   2           HD3      MET   2  10.225   6.112   5.976

  No H/Q in entry =           9
  In of MODEL   19
    1    H    ASP   3           H        ASP   3  12.497   6.014   3.596
    2    HA   ASP   3           HB1      ASP   3  13.084   8.523   2.190
    3    HB2  ASP   3           HG2      ASP   3  15.032   6.709   2.434
    4    HB3  ASP   3           HG3      ASP   3  14.203   6.014   1.043

  No H/Q in entry =           4
  In of MODEL   19
    1    H    CYS   4           H        CYS   4  12.696   8.161  -0.270
    2    HA   CYS   4           HB1      CYS   4   9.973   7.451  -0.585
    3    HB2  CYS   4           HG2      CYS   4  12.018   7.875  -2.770
    4    HB3  CYS   4           HG3      CYS   4  10.269   8.008  -2.917

  No H/Q in entry =           4
  In of MODEL   19
    1    H    THR   5           H        THR   5   9.297   5.410  -0.479
    2    HG1  THR   5          HG21      THR   5   8.449   3.139   1.486
    3   HG21  THR   5          HG22      THR   5  11.482   2.351   0.317
    4   HG22  THR   5          HG23      THR   5  10.311   1.755   1.493
    5   HG23  THR   5           HXT      THR   5  10.499   0.936  -0.058
    6    HA   THR   5           HB1      THR   5  10.953   3.279  -1.605
    7    HB   THR   5          HG12      THR   5   8.632   2.162  -0.481

  No H/Q in entry =           7
  In of MODEL   19
    1    H    THR   6           H        THR   6  10.018   1.673  -3.004
    2    HG1  THR   6          HG21      THR   6  10.661   0.008  -5.409
    3   HG21  THR   6          HG22      THR   6   9.274   3.538  -6.227
    4   HG22  THR   6          HG23      THR   6  10.874   2.822  -6.425
    5   HG23  THR   6           HXT      THR   6   9.572   2.393  -7.535
    6    HA   THR   6           HB1      THR   6   7.960   2.824  -4.753
    7    HB   THR   6          HG12      THR   6   8.896   0.768  -6.203

  No H/Q in entry =           7
  In of MODEL   19
    1    H    GLY   7           H        GLY   7   6.557   1.155  -5.882
    2    HA2  GLY   7           HA3      GLY   7   5.530  -0.686  -3.828
    3    HA3  GLY   7           HXT      GLY   7   5.818  -1.277  -5.458

  No H/Q in entry =           3
  In of MODEL   19
    1    HB2  PRO   8           HG2      PRO   8   0.069  -1.773  -5.473
    2    HB3  PRO   8           HG3      PRO   8   1.231  -2.190  -6.738
    3    HG2  PRO   8           HD2      PRO   8   1.395  -2.657  -3.787
    4    HD2  PRO   8           HD3      PRO   8   3.645  -2.246  -3.708
    5    HG3  PRO   8           HD3      PRO   8   1.831  -3.744  -5.118
    6    HD3  PRO   8           HXT      PRO   8   3.896  -2.792  -5.377
    7    HA   PRO   8           HB1      PRO   8   1.742   0.053  -6.505

  No H/Q in entry =           7
  In of MODEL   19
    1    H    CYS   9           H        CYS   9   2.542   1.690  -4.489
    2    HA   CYS   9           HB1      CYS   9   0.174   2.710  -3.454
    3    HB2  CYS   9           HG2      CYS   9   0.829   0.475  -2.018
    4    HB3  CYS   9           HG3      CYS   9   1.596   1.740  -1.065

  No H/Q in entry =           4
  In of MODEL   19
    1    H    CYS  10           H        CYS  10   2.547   3.633  -4.690
    2    HA   CYS  10           HB1      CYS  10   3.141   5.856  -2.991
    3    HB2  CYS  10           HG2      CYS  10   5.016   3.590  -3.144
    4    HB3  CYS  10           HG3      CYS  10   5.744   5.165  -3.441

  No H/Q in entry =           4
  In of MODEL   19
    1    H    ARG  11           H        ARG  11   2.523   7.182  -4.647
    2    HB2  ARG  11           HG2      ARG  11   1.364   8.223  -6.647
    3    HB3  ARG  11           HG3      ARG  11   2.442   9.380  -5.878
    4    HG2  ARG  11           HD2      ARG  11   3.144  10.263  -7.868
    5    HD2  ARG  11           HD3      ARG  11   0.684  10.562  -7.622
    6    HG3  ARG  11           HD3      ARG  11   2.826   8.776  -8.765
    7    HE   ARG  11          HH12      ARG  11   0.542   8.035  -8.939
    8   HH11  ARG  11          HH21      ARG  11  -1.081  11.102  -8.569
    9   HH12  ARG  11          HH22      ARG  11  -2.643  10.465  -8.961
   10    HD3  ARG  11           HXT      ARG  11   1.260  10.646  -9.286
   11   HH21  ARG  11           HXT      ARG  11  -1.512   7.195  -9.455
   12   HH22  ARG  11           H1       ARG  11  -2.888   8.247  -9.463
   13    HA   ARG  11           HB1      ARG  11   3.305   6.877  -7.341

  No H/Q in entry =          13
  In of MODEL   19
    1    H    GLN  12           H        GLN  12   5.574   6.452  -7.164
    2    HB2  GLN  12           HG2      GLN  12   6.455   9.269  -8.438
    3    HB3  GLN  12           HG3      GLN  12   7.163   9.974  -6.991
    4   HE21  GLN  12          HE22      GLN  12   9.200  11.684  -7.622
    5   HE22  GLN  12           HXT      GLN  12   8.996  12.642  -9.044
    6    HA   GLN  12           HB1      GLN  12   7.720   7.106  -7.593
    7    HG2  GLN  12           HD2      GLN  12   9.382   9.408  -7.756
    8    HG3  GLN  12           HD3      GLN  12   8.713   8.584  -9.164

  No H/Q in entry =           8
  In of MODEL   19
    1    H    CYS  13           H        CYS  13   6.420   9.256  -5.080
    2    HA   CYS  13           HB1      CYS  13   8.294   8.077  -3.168
    3    HB2  CYS  13           HG2      CYS  13   9.400  10.086  -4.034
    4    HB3  CYS  13           HG3      CYS  13   7.989  11.053  -3.621

  No H/Q in entry =           4
  In of MODEL   19
    1    H    LYS  14           H        LYS  14   5.519  10.218  -3.687
    2    HB2  LYS  14           HG2      LYS  14   3.181  10.840  -3.518
    3    HB3  LYS  14           HG3      LYS  14   2.542  11.127  -1.905
    4    HG2  LYS  14           HG3      LYS  14   4.616  12.589  -1.552
    5    HG3  LYS  14           HD2      LYS  14   4.792  12.520  -3.307
    6    HD2  LYS  14           HD3      LYS  14   3.474  14.354  -3.236
    7    HE2  LYS  14           HE3      LYS  14   3.532  14.547  -0.806
    8    HE3  LYS  14           HZ1      LYS  14   1.926  14.910  -1.435
    9    HZ1  LYS  14           HZ2      LYS  14   1.394  12.505  -0.920
   10    HZ2  LYS  14           HZ3      LYS  14   2.826  12.474  -0.018
   11    HD3  LYS  14           HXT      LYS  14   2.181  13.158  -3.118
   12    HZ3  LYS  14           HXT      LYS  14   1.581  13.536   0.408
   13    HA   LYS  14           HB1      LYS  14   4.700  10.270  -0.969

  No H/Q in entry =          13
  In of MODEL   19
    1    H    LEU  15           H        LEU  15   3.628   8.809   0.186
    2   HD11  LEU  15          HD12      LEU  15   1.965   5.340   2.997
    3   HD12  LEU  15          HD13      LEU  15   3.165   6.099   4.042
    4   HD13  LEU  15          HD21      LEU  15   1.520   6.731   3.986
    5   HD21  LEU  15          HD22      LEU  15   4.559   8.191   1.834
    6   HD22  LEU  15          HD23      LEU  15   3.548   9.037   3.005
    7   HD23  LEU  15           HXT      LEU  15   4.430   7.588   3.486
    8    HG   LEU  15           HXT      LEU  15   1.873   7.867   2.074
    9    HA   LEU  15           HB1      LEU  15   2.738   6.365  -1.112
   10    HB2  LEU  15           HG2      LEU  15   2.571   5.438   1.093
   11    HB3  LEU  15           HG3      LEU  15   4.100   6.285   0.952

  No H/Q in entry =          11
  In of MODEL   19
    1    H    LYS  16           H        LYS  16   0.650   5.489  -0.887
    2    HB2  LYS  16           HG2      LYS  16  -1.651   4.388  -0.465
    3    HB3  LYS  16           HG3      LYS  16  -2.926   5.371  -1.172
    4    HG2  LYS  16           HG3      LYS  16  -0.300   4.939  -2.557
    5    HG3  LYS  16           HD2      LYS  16  -1.651   3.816  -2.723
    6    HD2  LYS  16           HD3      LYS  16  -3.040   5.861  -3.373
    7    HE2  LYS  16           HE3      LYS  16  -0.954   5.571  -5.436
    8    HE3  LYS  16           HZ1      LYS  16  -1.703   4.075  -4.881
    9    HZ1  LYS  16           HZ2      LYS  16  -3.886   5.374  -5.266
   10    HZ2  LYS  16           HZ3      LYS  16  -2.937   6.365  -6.256
   11    HD3  LYS  16           HXT      LYS  16  -1.498   6.700  -3.554
   12    HZ3  LYS  16           HXT      LYS  16  -3.075   4.714  -6.595
   13    HA   LYS  16           HB1      LYS  16  -1.459   7.316  -1.193

  No H/Q in entry =          13
  In of MODEL   19
    1    HB2  PRO  17           HG2      PRO  17  -5.515   8.191   2.611
    2    HB3  PRO  17           HG3      PRO  17  -4.533   9.550   2.056
    3    HG2  PRO  17           HD2      PRO  17  -5.628   7.241   0.503
    4    HD2  PRO  17           HD3      PRO  17  -3.791   7.139  -0.898
    5    HG3  PRO  17           HD3      PRO  17  -5.533   8.953   0.050
    6    HD3  PRO  17           HXT      PRO  17  -3.298   8.805  -0.531
    7    HA   PRO  17           HB1      PRO  17  -2.785   8.333   2.880

  No H/Q in entry =           7
  In of MODEL   19
    1    H    ALA  18           H        ALA  18  -3.345   7.387   4.798
    2    HA   ALA  18           HB1      ALA  18  -3.296   4.602   5.010
    3    HB1  ALA  18           HB2      ALA  18  -4.388   6.524   7.059
    4    HB2  ALA  18           HB3      ALA  18  -2.673   6.195   6.811
    5    HB3  ALA  18           HXT      ALA  18  -3.749   4.906   7.349

  No H/Q in entry =           5
  In of MODEL   19
    1    H    GLY  19           H        GLY  19  -4.800   3.250   4.277
    2    HA2  GLY  19           HA3      GLY  19  -7.628   3.906   4.826
    3    HA3  GLY  19           HXT      GLY  19  -6.980   2.273   4.822

  No H/Q in entry =           3
  In of MODEL   19
    1    H    THR  20           H        THR  20  -5.339   3.012   2.383
    2    HG1  THR  20          HG21      THR  20  -6.276   5.350   0.561
    3   HG21  THR  20          HG22      THR  20  -6.893   3.798  -1.760
    4   HG22  THR  20          HG23      THR  20  -5.489   4.841  -1.986
    5   HG23  THR  20           HXT      THR  20  -5.337   3.098  -2.206
    6    HA   THR  20           HB1      THR  20  -7.473   3.198   0.383
    7    HB   THR  20          HG12      THR  20  -4.496   3.264  -0.111

  No H/Q in entry =           7
  In of MODEL   19
    1    H    THR  21           H        THR  21  -7.218   1.805  -1.577
    2    HG1  THR  21          HG21      THR  21  -9.866   0.175  -2.225
    3   HG21  THR  21          HG22      THR  21  -8.153  -2.188  -0.466
    4   HG22  THR  21          HG23      THR  21  -9.594  -2.185  -1.482
    5   HG23  THR  21           HXT      THR  21  -8.083  -2.852  -2.098
    6    HA   THR  21           HB1      THR  21  -6.410  -0.907  -0.763
    7    HB   THR  21          HG12      THR  21  -8.152  -0.777  -3.093

  No H/Q in entry =           7
  In of MODEL   19
    1    H    CYS  22           H        CYS  22  -4.714  -1.753  -1.756
    2    HA   CYS  22           HB1      CYS  22  -3.910  -0.637  -4.360
    3    HB2  CYS  22           HG2      CYS  22  -1.626  -1.565  -3.742
    4    HB3  CYS  22           HG3      CYS  22  -2.188  -0.194  -2.791

  No H/Q in entry =           4
  In of MODEL   19
    1    H    TRP  23           H        TRP  23  -4.108  -3.638  -2.480
    2    HE1  TRP  23           HE3      TRP  23  -1.198  -8.731  -5.948
    3    HE3  TRP  23           HZ2      TRP  23  -3.851  -8.797  -1.307
    4    HZ2  TRP  23           HZ3      TRP  23  -1.236 -11.286  -4.747
    5    HZ3  TRP  23           HH2      TRP  23  -3.380 -11.200  -1.059
    6    HH2  TRP  23           HXT      TRP  23  -2.099 -12.417  -2.744
    7    HA   TRP  23           HB1      TRP  23  -3.695  -5.219  -4.896
    8    HB2  TRP  23           HG2      TRP  23  -2.835  -5.635  -2.374
    9    HB3  TRP  23           HG3      TRP  23  -4.334  -6.558  -2.330
   10    HD1  TRP  23           HD2      TRP  23  -2.090  -6.370  -5.448

  No H/Q in entry =          10
  In of MODEL   19
    1    H    LYS  24           H        LYS  24  -5.175  -6.924  -5.487
    2    HB2  LYS  24           HG2      LYS  24  -8.082  -4.939  -5.217
    3    HB3  LYS  24           HG3      LYS  24  -7.635  -5.451  -6.839
    4    HG2  LYS  24           HG3      LYS  24  -9.593  -7.145  -6.540
    5    HG3  LYS  24           HD2      LYS  24 -10.119  -6.014  -5.292
    6    HD2  LYS  24           HD3      LYS  24  -9.631  -4.267  -7.249
    7    HE2  LYS  24           HE3      LYS  24 -12.163  -5.876  -7.349
    8    HE3  LYS  24           HZ1      LYS  24 -11.792  -4.812  -5.993
    9    HZ1  LYS  24           HZ2      LYS  24 -11.366  -3.140  -7.978
   10    HZ2  LYS  24           HZ3      LYS  24 -12.494  -4.141  -8.744
   11    HD3  LYS  24           HXT      LYS  24  -9.998  -5.683  -8.237
   12    HZ3  LYS  24           HXT      LYS  24 -12.901  -3.357  -7.301
   13    HA   LYS  24           HB1      LYS  24  -7.742  -7.232  -4.397

  No H/Q in entry =          13
  In of MODEL   19
    1    H    THR  25           H        THR  25  -6.865  -9.362  -4.798
    2    HG1  THR  25          HG21      THR  25  -6.503 -12.912  -4.775
    3   HG21  THR  25          HG22      THR  25  -4.669  -9.863  -5.611
    4   HG22  THR  25          HG23      THR  25  -4.054 -11.438  -5.110
    5   HG23  THR  25           HXT      THR  25  -4.067 -10.999  -6.818
    6    HA   THR  25           HB1      THR  25  -6.708 -10.218  -7.577
    7    HB   THR  25          HG12      THR  25  -5.916 -12.340  -6.687

  No H/Q in entry =           7
  In of MODEL   19
    1    H    SER  26           H        SER  26  -9.052  -9.680  -7.812
    2    HG   SER  26           HXT      SER  26 -11.360 -13.535  -9.314
    3    HA   SER  26           HB1      SER  26 -11.109 -10.513  -8.352
    4    HB2  SER  26           HG2      SER  26  -9.711 -12.810  -8.212
    5    HB3  SER  26           HG3      SER  26 -10.816 -13.058  -6.861

  No H/Q in entry =           5
  In of MODEL   19
    1    H    VAL  27           H        VAL  27 -10.177 -11.674  -5.130
    2    HB   VAL  27          HG12      VAL  27 -12.986 -12.669  -4.083
    3   HG11  VAL  27          HG12      VAL  27 -10.505 -13.264  -3.843
    4   HG12  VAL  27          HG13      VAL  27 -10.766 -13.081  -2.109
    5   HG13  VAL  27          HG21      VAL  27 -11.681 -14.285  -3.016
    6   HG21  VAL  27          HG22      VAL  27 -13.634 -11.043  -2.158
    7   HG22  VAL  27          HG23      VAL  27 -13.895 -12.776  -1.962
    8   HG23  VAL  27           HXT      VAL  27 -12.498 -12.004  -1.210
    9    HA   VAL  27           HB1      VAL  27 -12.514 -10.260  -4.040

  No H/Q in entry =           9
  In of MODEL   19
    1    H    SER  28           H        SER  28  -9.344 -11.660  -3.344
    2    HG   SER  28           HXT      SER  28  -6.491 -11.036   0.008
    3    HA   SER  28           HB1      SER  28  -9.067 -10.346  -0.821
    4    HB2  SER  28           HG2      SER  28  -7.823 -12.351  -1.087
    5    HB3  SER  28           HG3      SER  28  -7.130 -11.808  -2.615

  No H/Q in entry =           5
  In of MODEL   19
    1    H    SER  29           H        SER  29  -8.968  -8.197  -0.715
    2    HG   SER  29           HXT      SER  29 -10.630  -6.651  -1.714
    3    HA   SER  29           HB1      SER  29  -7.040  -6.820  -2.452
    4    HB2  SER  29           HG2      SER  29  -8.612  -4.896  -2.611
    5    HB3  SER  29           HG3      SER  29  -9.235  -6.353  -3.384

  No H/Q in entry =           5
  In of MODEL   19
    1    H    HIS  30           H        HIS  30  -5.561  -6.792  -0.735
    2    HD1  HIS  30           HD2      HIS  30  -1.889  -7.699   1.772
    3    HD2  HIS  30           HE1      HIS  30  -5.841  -8.424   0.713
    4    HE1  HIS  30           HE2      HIS  30  -2.117 -10.202   1.702
    5    HE2  HIS  30           HXT      HIS  30  -4.539 -10.617   1.145
    6    HA   HIS  30           HB1      HIS  30  -6.112  -5.937   1.875
    7    HB2  HIS  30           HG2      HIS  30  -3.503  -5.676   0.365
    8    HB3  HIS  30           HG3      HIS  30  -3.701  -5.650   2.115

  No H/Q in entry =           8
  In of MODEL   19
    1    H    TYR  31           H        TYR  31  -4.781  -3.919   2.747
    2    HD1  TYR  31           HD2      TYR  31  -8.095   0.316   1.801
    3    HD2  TYR  31           HE1      TYR  31  -7.578  -3.851   2.483
    4    HE1  TYR  31           HE2      TYR  31 -10.278  -0.119   0.757
    5    HE2  TYR  31           HH       TYR  31  -9.759  -4.299   1.440
    6    HH   TYR  31           HXT      TYR  31 -11.270  -3.146  -0.236
    7    HA   TYR  31           HB1      TYR  31  -5.253  -1.599   1.019
    8    HB2  TYR  31           HG2      TYR  31  -6.329  -1.953   3.820
    9    HB3  TYR  31           HG3      TYR  31  -6.249  -0.398   2.999

  No H/Q in entry =           9
  In of MODEL   19
    1    H    CYS  32           H        CYS  32  -4.208   0.381   1.841
    2    HA   CYS  32           HB1      CYS  32  -1.660  -0.295   3.118
    3    HB2  CYS  32           HG2      CYS  32  -2.536   2.021   1.397
    4    HB3  CYS  32           HG3      CYS  32  -1.006   2.021   2.268

  No H/Q in entry =           4
  In of MODEL   19
    1    H    THR  33           H        THR  33  -1.036   0.535   5.035
    2    HG1  THR  33          HG21      THR  33   0.147   1.527   8.235
    3   HG21  THR  33          HG22      THR  33  -3.068  -0.423   6.843
    4   HG22  THR  33          HG23      THR  33  -1.454  -1.112   7.023
    5   HG23  THR  33           HXT      THR  33  -2.450  -0.815   8.448
    6    HA   THR  33           HB1      THR  33  -3.008   2.132   6.492
    7    HB   THR  33          HG12      THR  33  -1.980   1.381   8.495

  No H/Q in entry =           7
  In of MODEL   19
    1    H    GLY  34           H        GLY  34  -1.068   3.191   4.443
    2    HA2  GLY  34           HA3      GLY  34  -0.528   5.662   5.575
    3    HA3  GLY  34           HXT      GLY  34   0.287   5.021   4.156

  No H/Q in entry =           3
  In of MODEL   19
    1    H    ARG  35           H        ARG  35   1.338   2.728   5.758
    2    HB2  ARG  35           HG2      ARG  35   2.147   1.397   7.464
    3    HB3  ARG  35           HG3      ARG  35   3.803   1.597   8.020
    4    HG2  ARG  35           HD2      ARG  35   3.034   3.269   9.650
    5    HD2  ARG  35           HD3      ARG  35   1.632   0.603   9.739
    6    HG3  ARG  35           HD3      ARG  35   1.374   2.999   9.115
    7    HE   ARG  35          HH12      ARG  35   1.267   2.683  11.537
    8   HH11  ARG  35          HH21      ARG  35   2.346  -0.635  11.608
    9   HH12  ARG  35          HH22      ARG  35   1.800  -0.909  13.229
   10    HD3  ARG  35           HXT      ARG  35   3.218   0.992  10.405
   11   HH21  ARG  35           HXT      ARG  35   0.548   2.325  13.668
   12   HH22  ARG  35           H1       ARG  35   0.779   0.771  14.398
   13    HA   ARG  35           HB1      ARG  35   3.288   4.147   7.437

  No H/Q in entry =          13
  In of MODEL   19
    1    H    SER  36           H        SER  36   2.960   1.996   4.689
    2    HG   SER  36           HXT      SER  36   7.568   0.724   4.508
    3    HA   SER  36           HB1      SER  36   5.620   2.696   3.804
    4    HB2  SER  36           HG2      SER  36   4.963   0.014   4.897
    5    HB3  SER  36           HG3      SER  36   5.910   0.049   3.411

  No H/Q in entry =           5
  In of MODEL   19
    1    H    CYS  37           H        CYS  37   6.063   1.903   1.606
    2    HA   CYS  37           HB1      CYS  37   3.764   2.199  -0.053
    3    HB2  CYS  37           HG2      CYS  37   6.522   1.301  -0.898
    4    HB3  CYS  37           HG3      CYS  37   5.289   2.053  -1.905

  No H/Q in entry =           4
  In of MODEL   19
    1    H    GLU  38           H        GLU  38   5.532  -0.510   1.207
    2    HB2  GLU  38           HG2      GLU  38   6.203  -2.518   1.752
    3    HB3  GLU  38           HG3      GLU  38   5.355  -3.991   1.299
    4    HA   GLU  38           HB1      GLU  38   4.475  -2.417  -0.669
    5    HG2  GLU  38           HD2      GLU  38   6.632  -4.329  -0.521
    6    HG3  GLU  38           HD3      GLU  38   6.766  -2.609  -0.881

  No H/Q in entry =           6
  In of MODEL   19
    1    H    CYS  39           H        CYS  39   2.460  -3.135  -0.639
    2    HA   CYS  39           HB1      CYS  39   0.597  -2.595   1.376
    3    HB2  CYS  39           HG2      CYS  39   0.462  -4.819  -0.669
    4    HB3  CYS  39           HG3      CYS  39  -0.897  -4.097   0.187

  No H/Q in entry =           4
  In of MODEL   19
    1    HB2  PRO  40           HG2      PRO  40  -1.147  -6.025   5.443
    2    HB3  PRO  40           HG3      PRO  40  -0.165  -4.589   5.754
    3    HG2  PRO  40           HD2      PRO  40  -2.382  -4.975   3.780
    4    HD2  PRO  40           HD3      PRO  40  -1.398  -3.590   2.224
    5    HG3  PRO  40           HD3      PRO  40  -2.063  -3.596   4.849
    6    HD3  PRO  40           HXT      PRO  40  -0.450  -2.725   3.451
    7    HA   PRO  40           HB1      PRO  40   1.346  -5.698   4.422

  No H/Q in entry =           7
  In of MODEL   19
    1    H    SER  41           H        SER  41   0.355  -7.846   5.232
    2    HG   SER  41           HXT      SER  41   1.662 -11.770   2.798
    3    HA   SER  41           HB1      SER  41  -0.741  -9.375   2.970
    4    HB2  SER  41           HG2      SER  41   1.811  -9.648   3.461
    5    HB3  SER  41           HG3      SER  41   1.264 -10.615   4.830

  No H/Q in entry =           5
  In of MODEL   19
    1    H    TYR  42           H        TYR  42  -2.059  -8.235   5.295
    2    HD1  TYR  42           HD2      TYR  42  -0.209  -8.352   7.082
    3    HD2  TYR  42           HE1      TYR  42  -3.564  -7.850   9.650
    4    HE1  TYR  42           HE2      TYR  42   0.634  -6.138   7.741
    5    HE2  TYR  42           HH       TYR  42  -2.731  -5.634  10.315
    6    HH   TYR  42           HXT      TYR  42   0.416  -4.563   9.603
    7    HA   TYR  42           HB1      TYR  42  -3.320 -10.671   6.258
    8    HB2  TYR  42           HG2      TYR  42  -3.216  -9.914   8.625
    9    HB3  TYR  42           HG3      TYR  42  -1.637 -10.315   7.960

  No H/Q in entry =           9
  In of MODEL   19
    1    HB2  PRO  43           HG2      PRO  43  -8.014  -9.964   5.139
    2    HB3  PRO  43           HG3      PRO  43  -8.000  -8.708   3.895
    3    HG2  PRO  43           HD2      PRO  43  -6.816 -11.052   3.466
    4    HD2  PRO  43           HD3      PRO  43  -5.327 -11.244   5.217
    5    HG3  PRO  43           HD3      PRO  43  -6.086  -9.543   2.885
    6    HD3  PRO  43           HXT      PRO  43  -4.295 -10.310   4.116
    7    HA   PRO  43           HB1      PRO  43  -6.394  -7.465   4.980

  No H/Q in entry =           7
  In of MODEL   19
    1    H    GLY  44           H        GLY  44  -6.502  -6.371   6.941
    2    HA2  GLY  44           HA3      GLY  44  -7.794  -7.664   9.214
    3    HA3  GLY  44           HXT      GLY  44  -8.667  -6.329   8.477

  No H/Q in entry =           3
  In of MODEL   20
    1    H1   ALA   1           H1       ALA   1  21.667   7.212   2.997
    2    H2   ALA   1           H2       ALA   1  20.717   5.859   3.460
    3    H3   ALA   1           H3       ALA   1  22.328   5.632   2.912
    4    HA   ALA   1           HB1      ALA   1  21.788   6.298   0.758
    5    HB1  ALA   1           HB2      ALA   1  19.447   4.581   1.285
    6    HB2  ALA   1           HB3      ALA   1  21.002   3.980   1.862
    7    HB3  ALA   1           HXT      ALA   1  20.784   4.367   0.155

  No H/Q in entry =           7
  In of MODEL   20
    1    H    MET   2           H        MET   2  20.408   7.243  -0.746
    2    HB2  MET   2           HG2      MET   2  20.340   9.781  -0.888
    3    HB3  MET   2           HG3      MET   2  19.292   9.468  -2.264
    4    HE1  MET   2           HE2      MET   2  18.764  11.899  -3.608
    5    HE2  MET   2           HE3      MET   2  20.117  13.030  -3.653
    6    HE3  MET   2           HXT      MET   2  20.409  11.316  -3.353
    7    HA   MET   2           HB1      MET   2  18.222   8.819   0.433
    8    HG2  MET   2           HD2      MET   2  17.664  10.973  -1.509
    9    HG3  MET   2           HD3      MET   2  18.358  11.041   0.109

  No H/Q in entry =           9
  In of MODEL   20
    1    H    ASP   3           H        ASP   3  16.540   7.362   0.246
    2    HA   ASP   3           HB1      ASP   3  15.602   6.912  -2.493
    3    HB2  ASP   3           HG2      ASP   3  16.193   4.839  -0.441
    4    HB3  ASP   3           HG3      ASP   3  14.748   4.617  -1.423

  No H/Q in entry =           4
  In of MODEL   20
    1    H    CYS   4           H        CYS   4  13.344   6.739  -2.714
    2    HA   CYS   4           HB1      CYS   4  11.861   7.840  -0.430
    3    HB2  CYS   4           HG2      CYS   4  11.542   8.039  -3.397
    4    HB3  CYS   4           HG3      CYS   4  10.118   8.212  -2.377

  No H/Q in entry =           4
  In of MODEL   20
    1    H    THR   5           H        THR   5   9.363   7.222  -0.744
    2    HG1  THR   5          HG21      THR   5   6.049   6.999  -0.309
    3   HG21  THR   5          HG22      THR   5   8.775   6.389   1.498
    4   HG22  THR   5          HG23      THR   5   7.165   7.108   1.524
    5   HG23  THR   5           HXT      THR   5   7.402   5.454   2.090
    6    HA   THR   5           HB1      THR   5   9.215   4.447  -0.127
    7    HB   THR   5          HG12      THR   5   6.775   4.853   0.043

  No H/Q in entry =           7
  In of MODEL   20
    1    H    THR   6           H        THR   6   9.693   3.107  -1.796
    2    HG1  THR   6          HG21      THR   6  11.335   2.931  -2.923
    3   HG21  THR   6          HG22      THR   6   9.816   4.157  -5.590
    4   HG22  THR   6          HG23      THR   6  11.324   4.156  -4.676
    5   HG23  THR   6           HXT      THR   6  11.150   3.118  -6.090
    6    HA   THR   6           HB1      THR   6   8.225   3.463  -4.316
    7    HB   THR   6          HG12      THR   6   9.953   1.566  -4.983

  No H/Q in entry =           7
  In of MODEL   20
    1    H    GLY   7           H        GLY   7   6.367   2.374  -4.338
    2    HA2  GLY   7           HA3      GLY   7   5.729   0.192  -2.693
    3    HA3  GLY   7           HXT      GLY   7   6.275  -0.435  -4.241

  No H/Q in entry =           3
  In of MODEL   20
    1    HB2  PRO   8           HG2      PRO   8   0.520  -1.530  -4.283
    2    HB3  PRO   8           HG3      PRO   8   1.766  -2.145  -5.376
    3    HG2  PRO   8           HD2      PRO   8   1.826  -1.876  -2.395
    4    HD2  PRO   8           HD3      PRO   8   4.054  -1.331  -2.360
    5    HG3  PRO   8           HD3      PRO   8   2.385  -3.219  -3.408
    6    HD3  PRO   8           HXT      PRO   8   4.386  -2.195  -3.874
    7    HA   PRO   8           HB1      PRO   8   2.135   0.113  -5.678

  No H/Q in entry =           7
  In of MODEL   20
    1    H    CYS   9           H        CYS   9   2.432   0.549  -2.216
    2    HA   CYS   9           HB1      CYS   9   0.021   2.234  -2.221
    3    HB2  CYS   9           HG2      CYS   9   0.828   0.229  -0.455
    4    HB3  CYS   9           HG3      CYS   9   1.149   1.729   0.408

  No H/Q in entry =           4
  In of MODEL   20
    1    H    CYS  10           H        CYS  10   2.320   3.293  -3.366
    2    HA   CYS  10           HB1      CYS  10   2.562   5.733  -2.005
    3    HB2  CYS  10           HG2      CYS  10   4.952   5.615  -1.342
    4    HB3  CYS  10           HG3      CYS  10   3.927   4.536  -0.402

  No H/Q in entry =           4
  In of MODEL   20
    1    H    ARG  11           H        ARG  11   3.034   7.209  -3.492
    2    HB2  ARG  11           HG2      ARG  11   2.042   7.930  -5.514
    3    HB3  ARG  11           HG3      ARG  11   3.309   9.131  -5.724
    4    HG2  ARG  11           HD2      ARG  11   2.725   8.988  -7.884
    5    HD2  ARG  11           HD3      ARG  11   1.913   6.104  -7.591
    6    HG3  ARG  11           HD3      ARG  11   3.773   7.568  -7.870
    7    HE   ARG  11          HH12      ARG  11   0.632   7.744  -9.562
    8   HH11  ARG  11          HH21      ARG  11   3.402   5.724  -8.912
    9   HH12  ARG  11          HH22      ARG  11   3.674   5.345 -10.579
   10    HD3  ARG  11           HXT      ARG  11   0.818   7.455  -7.300
   11   HH21  ARG  11           HXT      ARG  11   0.988   7.247 -11.756
   12   HH22  ARG  11           H1       ARG  11   2.304   6.209 -12.194
   13    HA   ARG  11           HB1      ARG  11   4.162   6.319  -6.034

  No H/Q in entry =          13
  In of MODEL   20
    1    H    GLN  12           H        GLN  12   5.201   8.742  -6.953
    2    HB2  GLN  12           HG2      GLN  12   6.584  11.169  -7.103
    3    HB3  GLN  12           HG3      GLN  12   8.230  10.598  -7.335
    4   HE21  GLN  12          HE22      GLN  12   6.032  12.032  -9.103
    5   HE22  GLN  12           HXT      GLN  12   4.389  11.763  -9.564
    6    HA   GLN  12           HB1      GLN  12   7.829   8.613  -6.133
    7    HG2  GLN  12           HD2      GLN  12   7.523   9.976  -9.355
    8    HG3  GLN  12           HD3      GLN  12   6.792   8.611  -8.513

  No H/Q in entry =           8
  In of MODEL   20
    1    H    CYS  13           H        CYS  13   8.170   8.616  -3.998
    2    HA   CYS  13           HB1      CYS  13   8.512   9.400  -1.887
    3    HB2  CYS  13           HG2      CYS  13   8.390  12.122  -3.200
    4    HB3  CYS  13           HG3      CYS  13   9.150  11.730  -1.661

  No H/Q in entry =           4
  In of MODEL   20
    1    H    LYS  14           H        LYS  14   6.082   8.608  -1.923
    2    HB2  LYS  14           HG2      LYS  14   4.069  10.654  -2.948
    3    HB3  LYS  14           HG3      LYS  14   2.667  10.377  -1.923
    4    HG2  LYS  14           HG3      LYS  14   4.010  12.178  -0.431
    5    HG3  LYS  14           HD2      LYS  14   4.494  12.675  -2.054
    6    HD2  LYS  14           HD3      LYS  14   2.543  13.907  -1.581
    7    HE2  LYS  14           HE3      LYS  14   1.395  11.313  -0.576
    8    HE3  LYS  14           HZ1      LYS  14   1.694  12.788   0.342
    9    HZ1  LYS  14           HZ2      LYS  14   0.060  13.783  -1.420
   10    HZ2  LYS  14           HZ3      LYS  14  -0.462  12.180  -1.549
   11    HD3  LYS  14           HXT      LYS  14   2.021  12.600  -2.646
   12    HZ3  LYS  14           HXT      LYS  14  -0.530  12.974  -0.057
   13    HA   LYS  14           HB1      LYS  14   4.684  10.215  -0.098

  No H/Q in entry =          13
  In of MODEL   20
    1    H    LEU  15           H        LEU  15   3.025   9.096   0.873
    2   HD11  LEU  15          HD12      LEU  15   0.400   6.470   3.487
    3   HD12  LEU  15          HD13      LEU  15   0.392   8.015   4.336
    4   HD13  LEU  15          HD21      LEU  15   0.006   7.952   2.616
    5   HD21  LEU  15          HD22      LEU  15   3.908   7.186   4.046
    6   HD22  LEU  15          HD23      LEU  15   3.066   8.558   4.767
    7   HD23  LEU  15           HXT      LEU  15   2.457   6.921   5.013
    8    HG   LEU  15           HXT      LEU  15   2.209   8.717   2.673
    9    HA   LEU  15           HB1      LEU  15   2.626   6.354  -0.105
   10    HB2  LEU  15           HG2      LEU  15   2.001   5.781   2.174
   11    HB3  LEU  15           HG3      LEU  15   3.586   6.529   2.130

  No H/Q in entry =          11
  In of MODEL   20
    1    H    LYS  16           H        LYS  16   0.456   5.394   0.391
    2    HB2  LYS  16           HG2      LYS  16  -1.313   4.230  -0.204
    3    HB3  LYS  16           HG3      LYS  16  -2.939   4.896  -0.254
    4    HG2  LYS  16           HG3      LYS  16  -2.419   5.898  -2.453
    5    HG3  LYS  16           HD2      LYS  16  -0.843   5.106  -2.404
    6    HD2  LYS  16           HD3      LYS  16  -1.938   2.924  -2.294
    7    HE2  LYS  16           HE3      LYS  16  -1.678   4.437  -4.505
    8    HE3  LYS  16           HZ1      LYS  16  -2.269   2.776  -4.517
    9    HZ1  LYS  16           HZ2      LYS  16  -4.258   4.851  -4.067
   10    HZ2  LYS  16           HZ3      LYS  16  -3.587   4.790  -5.618
   11    HD3  LYS  16           HXT      LYS  16  -3.518   3.710  -2.318
   12    HZ3  LYS  16           HXT      LYS  16  -4.363   3.429  -4.977
   13    HA   LYS  16           HB1      LYS  16  -1.590   7.164  -0.627

  No H/Q in entry =          13
  In of MODEL   20
    1    HB2  PRO  17           HG2      PRO  17  -6.216   8.117   2.435
    2    HB3  PRO  17           HG3      PRO  17  -5.107   9.422   1.997
    3    HG2  PRO  17           HD2      PRO  17  -6.016   7.080   0.372
    4    HD2  PRO  17           HD3      PRO  17  -3.982   6.867  -0.696
    5    HG3  PRO  17           HD3      PRO  17  -5.808   8.771  -0.119
    6    HD3  PRO  17           HXT      PRO  17  -3.524   8.550  -0.365
    7    HA   PRO  17           HB1      PRO  17  -3.589   8.167   3.168

  No H/Q in entry =           7
  In of MODEL   20
    1    H    ALA  18           H        ALA  18  -4.522   7.234   4.944
    2    HA   ALA  18           HB1      ALA  18  -4.579   4.440   5.130
    3    HB1  ALA  18           HB2      ALA  18  -4.414   6.340   6.955
    4    HB2  ALA  18           HB3      ALA  18  -6.151   6.057   7.068
    5    HB3  ALA  18           HXT      ALA  18  -5.021   4.733   7.353

  No H/Q in entry =           5
  In of MODEL   20
    1    H    GLY  19           H        GLY  19  -6.000   3.081   4.275
    2    HA2  GLY  19           HA3      GLY  19  -8.843   3.881   4.237
    3    HA3  GLY  19           HXT      GLY  19  -8.286   2.226   4.431

  No H/Q in entry =           3
  In of MODEL   20
    1    H    THR  20           H        THR  20  -6.176   2.927   2.291
    2    HG1  THR  20          HG21      THR  20  -5.049   5.058   0.661
    3   HG21  THR  20          HG22      THR  20  -7.053   3.931  -2.018
    4   HG22  THR  20          HG23      THR  20  -5.391   4.515  -2.113
    5   HG23  THR  20           HXT      THR  20  -5.730   2.790  -2.259
    6    HA   THR  20           HB1      THR  20  -7.925   2.947  -0.061
    7    HB   THR  20          HG12      THR  20  -4.916   3.117  -0.076

  No H/Q in entry =           7
  In of MODEL   20
    1    H    THR  21           H        THR  21  -7.221   1.517  -1.895
    2    HG1  THR  21          HG21      THR  21  -9.289  -0.047  -1.501
    3   HG21  THR  21          HG22      THR  21  -8.280  -2.410  -0.889
    4   HG22  THR  21          HG23      THR  21  -9.472  -2.453  -2.188
    5   HG23  THR  21           HXT      THR  21  -7.877  -3.166  -2.431
    6    HA   THR  21           HB1      THR  21  -6.536  -1.139  -0.831
    7    HB   THR  21          HG12      THR  21  -7.637  -1.166  -3.513

  No H/Q in entry =           7
  In of MODEL   20
    1    H    CYS  22           H        CYS  22  -4.581  -1.871  -1.292
    2    HA   CYS  22           HB1      CYS  22  -3.098  -0.699  -3.523
    3    HB2  CYS  22           HG2      CYS  22  -1.115  -1.625  -2.488
    4    HB3  CYS  22           HG3      CYS  22  -2.052  -0.767  -1.270

  No H/Q in entry =           4
  In of MODEL   20
    1    H    TRP  23           H        TRP  23  -4.172  -3.829  -2.284
    2    HE1  TRP  23           HE3      TRP  23  -0.409  -8.044  -6.293
    3    HE3  TRP  23           HZ2      TRP  23  -3.878  -9.248  -2.408
    4    HZ2  TRP  23           HZ3      TRP  23  -0.732 -10.826  -5.940
    5    HZ3  TRP  23           HH2      TRP  23  -3.521 -11.649  -2.817
    6    HH2  TRP  23           HXT      TRP  23  -1.980 -12.420  -4.547
    7    HA   TRP  23           HB1      TRP  23  -3.423  -5.031  -4.868
    8    HB2  TRP  23           HG2      TRP  23  -2.537  -5.822  -2.426
    9    HB3  TRP  23           HG3      TRP  23  -3.968  -6.835  -2.592
   10    HD1  TRP  23           HD2      TRP  23  -1.323  -5.868  -5.264

  No H/Q in entry =          10
  In of MODEL   20
    1    H    LYS  24           H        LYS  24  -5.765  -3.684  -4.852
    2    HB2  LYS  24           HG2      LYS  24  -9.301  -3.679  -5.502
    3    HB3  LYS  24           HG3      LYS  24  -8.219  -2.842  -4.398
    4    HG2  LYS  24           HG3      LYS  24  -6.611  -2.986  -6.520
    5    HG3  LYS  24           HD2      LYS  24  -8.170  -3.008  -7.347
    6    HD2  LYS  24           HD3      LYS  24  -8.763  -0.986  -5.900
    7    HE2  LYS  24           HE3      LYS  24  -6.479  -0.263  -7.653
    8    HE3  LYS  24           HZ1      LYS  24  -7.841  -1.113  -8.383
    9    HZ1  LYS  24           HZ2      LYS  24  -8.471   1.157  -6.666
   10    HZ2  LYS  24           HZ3      LYS  24  -7.758   1.511  -8.158
   11    HD3  LYS  24           HXT      LYS  24  -7.039  -0.897  -5.533
   12    HZ3  LYS  24           HXT      LYS  24  -9.210   0.645  -8.101
   13    HA   LYS  24           HB1      LYS  24  -8.010  -5.236  -4.078

  No H/Q in entry =          13
  In of MODEL   20
    1    H    THR  25           H        THR  25  -7.118  -7.291  -4.986
    2    HG1  THR  25          HG21      THR  25  -5.218  -8.045  -5.566
    3   HG21  THR  25          HG22      THR  25  -6.536  -9.130  -8.985
    4   HG22  THR  25          HG23      THR  25  -4.986  -9.698  -8.365
    5   HG23  THR  25           HXT      THR  25  -6.432 -10.687  -8.162
    6    HA   THR  25           HB1      THR  25  -7.566  -7.566  -7.870
    7    HB   THR  25          HG12      THR  25  -6.510  -9.766  -6.130

  No H/Q in entry =           7
  In of MODEL   20
    1    H    SER  26           H        SER  26  -8.532  -9.770  -8.496
    2    HG   SER  26           HXT      SER  26 -10.964  -9.223  -9.870
    3    HA   SER  26           HB1      SER  26 -11.134  -9.924  -7.289
    4    HB2  SER  26           HG2      SER  26  -9.800 -11.176  -9.654
    5    HB3  SER  26           HG3      SER  26 -11.270 -11.915  -9.020

  No H/Q in entry =           5
  In of MODEL   20
    1    H    VAL  27           H        VAL  27  -8.212 -11.286  -6.472
    2    HB   VAL  27          HG12      VAL  27  -7.317 -13.992  -6.763
    3   HG11  VAL  27          HG12      VAL  27  -6.313 -11.844  -6.172
    4   HG12  VAL  27          HG13      VAL  27  -6.076 -12.406  -4.517
    5   HG13  VAL  27          HG21      VAL  27  -5.210 -13.180  -5.844
    6   HG21  VAL  27          HG22      VAL  27  -7.605 -14.865  -3.960
    7   HG22  VAL  27          HG23      VAL  27  -7.389 -15.814  -5.430
    8   HG23  VAL  27           HXT      VAL  27  -5.999 -15.043  -4.665
    9    HA   VAL  27           HB1      VAL  27  -9.410 -13.774  -5.487

  No H/Q in entry =           9
  In of MODEL   20
    1    H    SER  28           H        SER  28  -7.781 -10.846  -4.424
    2    HG   SER  28           HXT      SER  28  -7.307 -12.621   0.297
    3    HA   SER  28           HB1      SER  28  -9.012 -10.818  -1.909
    4    HB2  SER  28           HG2      SER  28  -7.085 -12.722  -1.874
    5    HB3  SER  28           HG3      SER  28  -6.142 -11.315  -1.384

  No H/Q in entry =           5
  In of MODEL   20
    1    H    SER  29           H        SER  29  -7.466  -9.363  -0.338
    2    HG   SER  29           HXT      SER  29  -8.606  -6.929   0.592
    3    HA   SER  29           HB1      SER  29  -6.015  -7.351  -1.824
    4    HB2  SER  29           HG2      SER  29  -7.478  -5.499  -0.899
    5    HB3  SER  29           HG3      SER  29  -8.208  -6.469  -2.179

  No H/Q in entry =           5
  In of MODEL   20
    1    H    HIS  30           H        HIS  30  -4.911  -5.830  -0.449
    2    HD1  HIS  30           HD2      HIS  30  -0.608  -7.693   1.864
    3    HD2  HIS  30           HE1      HIS  30  -3.725  -7.967  -0.871
    4    HE1  HIS  30           HE2      HIS  30  -0.202  -9.826   0.596
    5    HE2  HIS  30           HXT      HIS  30  -2.168 -10.032  -0.966
    6    HA   HIS  30           HB1      HIS  30  -4.545  -6.876   2.278
    7    HB2  HIS  30           HG2      HIS  30  -2.614  -5.305   0.559
    8    HB3  HIS  30           HG3      HIS  30  -2.288  -5.897   2.185

  No H/Q in entry =           8
  In of MODEL   20
    1    H    TYR  31           H        TYR  31  -5.122  -4.000   0.370
    2    HD1  TYR  31           HD2      TYR  31  -7.984  -4.840   1.763
    3    HD2  TYR  31           HE1      TYR  31  -8.443  -0.613   1.906
    4    HE1  TYR  31           HE2      TYR  31 -10.095  -5.032   0.515
    5    HE2  TYR  31           HH       TYR  31 -10.555  -0.793   0.660
    6    HH   TYR  31           HXT      TYR  31 -11.529  -3.661  -0.901
    7    HA   TYR  31           HB1      TYR  31  -5.783  -1.894   0.924
    8    HB2  TYR  31           HG2      TYR  31  -6.671  -3.475   3.312
    9    HB3  TYR  31           HG3      TYR  31  -6.827  -1.722   3.318

  No H/Q in entry =           9
  In of MODEL   20
    1    H    CYS  32           H        CYS  32  -5.384  -0.055   2.497
    2    HA   CYS  32           HB1      CYS  32  -2.812  -0.418   3.884
    3    HB2  CYS  32           HG2      CYS  32  -3.512   1.412   1.701
    4    HB3  CYS  32           HG3      CYS  32  -2.757   2.211   3.076

  No H/Q in entry =           4
  In of MODEL   20
    1    H    THR  33           H        THR  33  -2.561   0.625   5.814
    2    HG1  THR  33          HG21      THR  33  -3.404   2.217   9.578
    3   HG21  THR  33          HG22      THR  33  -1.628   0.998   7.920
    4   HG22  THR  33          HG23      THR  33  -2.085   0.209   9.429
    5   HG23  THR  33           HXT      THR  33  -2.243  -0.655   7.899
    6    HA   THR  33           HB1      THR  33  -4.965   1.943   6.875
    7    HB   THR  33          HG12      THR  33  -4.394  -0.013   8.140

  No H/Q in entry =           7
  In of MODEL   20
    1    H    GLY  34           H        GLY  34  -2.725   3.158   5.264
    2    HA2  GLY  34           HA3      GLY  34  -2.590   5.634   6.545
    3    HA3  GLY  34           HXT      GLY  34  -1.529   5.116   5.244

  No H/Q in entry =           3
  In of MODEL   20
    1    H    ARG  35           H        ARG  35  -0.571   2.823   6.910
    2    HB2  ARG  35           HG2      ARG  35   0.291   1.368   8.508
    3    HB3  ARG  35           HG3      ARG  35   1.666   1.808   9.513
    4    HG2  ARG  35           HD2      ARG  35  -0.159   3.368  10.649
    5    HD2  ARG  35           HD3      ARG  35   0.198   0.415  11.130
    6    HG3  ARG  35           HD3      ARG  35  -1.234   2.119  10.017
    7    HE   ARG  35          HH12      ARG  35  -1.704   1.880  12.367
    8   HH11  ARG  35          HH21      ARG  35   1.326   0.520  13.440
    9   HH12  ARG  35          HH22      ARG  35   0.793   0.303  15.074
   10    HD3  ARG  35           HXT      ARG  35   1.121   1.729  11.859
   11   HH21  ARG  35           HXT      ARG  35  -2.406   1.595  14.515
   12   HH22  ARG  35           H1       ARG  35  -1.326   0.913  15.684
   13    HA   ARG  35           HB1      ARG  35   0.958   4.257   8.960

  No H/Q in entry =          13
  In of MODEL   20
    1    H    SER  36           H        SER  36   1.300   2.424   5.999
    2    HG   SER  36           HXT      SER  36   4.797   2.888   7.565
    3    HA   SER  36           HB1      SER  36   3.816   3.563   5.402
    4    HB2  SER  36           HG2      SER  36   3.797   0.917   6.753
    5    HB3  SER  36           HG3      SER  36   4.877   1.094   5.370

  No H/Q in entry =           5
  In of MODEL   20
    1    H    CYS  37           H        CYS  37   4.826   2.434   3.441
    2    HA   CYS  37           HB1      CYS  37   2.787   2.121   1.474
    3    HB2  CYS  37           HG2      CYS  37   4.994   3.168   1.016
    4    HB3  CYS  37           HG3      CYS  37   5.754   1.593   1.218

  No H/Q in entry =           4
  In of MODEL   20
    1    H    GLU  38           H        GLU  38   4.740  -0.065   3.354
    2    HB2  GLU  38           HG2      GLU  38   5.418  -1.842   4.449
    3    HB3  GLU  38           HG3      GLU  38   4.909  -3.483   4.079
    4    HA   GLU  38           HB1      GLU  38   4.278  -2.377   1.747
    5    HG2  GLU  38           HD2      GLU  38   6.337  -3.125   1.922
    6    HG3  GLU  38           HD3      GLU  38   7.103  -1.863   2.885

  No H/Q in entry =           6
  In of MODEL   20
    1    H    CYS  39           H        CYS  39   2.262  -3.077   1.421
    2    HA   CYS  39           HB1      CYS  39   0.130  -2.700   3.252
    3    HB2  CYS  39           HG2      CYS  39   0.508  -4.022   0.637
    4    HB3  CYS  39           HG3      CYS  39  -0.793  -4.671   1.630

  No H/Q in entry =           4
  In of MODEL   20
    1    HB2  PRO  40           HG2      PRO  40  -1.807  -6.507   6.846
    2    HB3  PRO  40           HG3      PRO  40  -0.799  -5.137   7.325
    3    HG2  PRO  40           HD2      PRO  40  -2.969  -5.262   5.267
    4    HD2  PRO  40           HD3      PRO  40  -1.903  -3.773   3.876
    5    HG3  PRO  40           HD3      PRO  40  -2.648  -4.008   6.478
    6    HD3  PRO  40           HXT      PRO  40  -0.997  -3.029   5.209
    7    HA   PRO  40           HB1      PRO  40   0.713  -6.172   5.928

  No H/Q in entry =           7
  In of MODEL   20
    1    H    SER  41           H        SER  41  -0.009  -8.403   6.300
    2    HG   SER  41           HXT      SER  41   0.879 -11.290   3.141
    3    HA   SER  41           HB1      SER  41  -1.035  -9.605   3.819
    4    HB2  SER  41           HG2      SER  41   1.024 -10.432   5.797
    5    HB3  SER  41           HG3      SER  41   0.050 -11.714   5.079

  No H/Q in entry =           5
  In of MODEL   20
    1    H    TYR  42           H        TYR  42  -3.164  -8.895   4.865
    2    HD1  TYR  42           HD2      TYR  42  -1.853  -9.295   8.449
    3    HD2  TYR  42           HE1      TYR  42  -4.913 -12.249   8.540
    4    HE1  TYR  42           HE2      TYR  42  -0.416 -10.732   9.833
    5    HE2  TYR  42           HH       TYR  42  -3.485 -13.694   9.925
    6    HH   TYR  42           HXT      TYR  42  -1.476 -13.243  11.593
    7    HA   TYR  42           HB1      TYR  42  -4.399 -11.237   5.974
    8    HB2  TYR  42           HG2      TYR  42  -4.015  -8.769   7.652
    9    HB3  TYR  42           HG3      TYR  42  -5.374  -9.853   7.926

  No H/Q in entry =           9
  In of MODEL   20
    1    HB2  PRO  43           HG2      PRO  43  -8.333 -10.898   2.086
    2    HB3  PRO  43           HG3      PRO  43  -6.791 -10.237   1.531
    3    HG2  PRO  43           HD2      PRO  43  -7.314 -12.599   3.295
    4    HD2  PRO  43           HD3      PRO  43  -5.416 -12.232   4.550
    5    HG3  PRO  43           HD3      PRO  43  -6.164 -12.436   1.956
    6    HD3  PRO  43           HXT      PRO  43  -4.618 -11.320   3.253
    7    HA   PRO  43           HB1      PRO  43  -7.150  -8.752   3.250

  No H/Q in entry =           7
  In of MODEL   20
    1    H    GLY  44           H        GLY  44  -9.417  -8.457   3.307
    2    HA2  GLY  44           HA3      GLY  44 -11.381  -8.246   4.496
    3    HA3  GLY  44           HXT      GLY  44 -10.620  -9.128   5.812

  No H/Q in entry =           3
  In of MODEL   21
    1    H1   ALA   1           H1       ALA   1  15.191   8.967   8.260
    2    H2   ALA   1           H2       ALA   1  16.849   9.148   7.856
    3    H3   ALA   1           H3       ALA   1  15.640   9.857   6.866
    4    HA   ALA   1           HB1      ALA   1  16.309   8.004   5.730
    5    HB1  ALA   1           HB2      ALA   1  17.620   6.771   7.164
    6    HB2  ALA   1           HB3      ALA   1  16.404   6.763   8.442
    7    HB3  ALA   1           HXT      ALA   1  16.196   5.740   7.020

  No H/Q in entry =           7
  In of MODEL   21
    1    H    MET   2           H        MET   2  14.223   8.780   4.960
    2    HB2  MET   2           HG2      MET   2  11.954   9.785   5.715
    3    HB3  MET   2           HG3      MET   2  11.634   9.479   4.013
    4    HE1  MET   2           HE2      MET   2   9.540  11.418   6.045
    5    HE2  MET   2           HE3      MET   2   9.091  11.455   7.750
    6    HE3  MET   2           HXT      MET   2  10.789  11.346   7.288
    7    HA   MET   2           HB1      MET   2  11.948   7.153   5.864
    8    HG2  MET   2           HD2      MET   2   9.497   9.536   4.683
    9    HG3  MET   2           HD3      MET   2   9.805   7.857   5.121

  No H/Q in entry =           9
  In of MODEL   21
    1    H    ASP   3           H        ASP   3  13.733   8.188   3.000
    2    HA   ASP   3           HB1      ASP   3  13.897   7.323   0.903
    3    HB2  ASP   3           HG2      ASP   3  14.067   5.191   2.543
    4    HB3  ASP   3           HG3      ASP   3  12.627   4.745   1.633

  No H/Q in entry =           4
  In of MODEL   21
    1    H    CYS   4           H        CYS   4  12.654   6.664  -0.984
    2    HA   CYS   4           HB1      CYS   4   9.913   7.609  -0.788
    3    HB2  CYS   4           HG2      CYS   4  11.900   7.261  -2.960
    4    HB3  CYS   4           HG3      CYS   4  10.210   7.067  -3.412

  No H/Q in entry =           4
  In of MODEL   21
    1    H    THR   5           H        THR   5  11.675   4.659  -1.466
    2    HG1  THR   5          HG21      THR   5   9.242   4.395   0.732
    3   HG21  THR   5          HG22      THR   5  10.419   1.035   0.001
    4   HG22  THR   5          HG23      THR   5   8.919   1.201   0.914
    5   HG23  THR   5           HXT      THR   5   8.868   0.764  -0.795
    6    HA   THR   5           HB1      THR   5  11.021   2.491  -1.680
    7    HB   THR   5          HG12      THR   5   8.291   3.054  -0.640

  No H/Q in entry =           7
  In of MODEL   21
    1    H    THR   6           H        THR   6   9.604   1.035  -2.873
    2    HG1  THR   6          HG21      THR   6  10.013  -0.531  -4.810
    3   HG21  THR   6          HG22      THR   6   9.335   3.077  -6.475
    4   HG22  THR   6          HG23      THR   6  10.898   2.577  -5.829
    5   HG23  THR   6           HXT      THR   6  10.353   1.967  -7.391
    6    HA   THR   6           HB1      THR   6   7.924   2.407  -4.861
    7    HB   THR   6          HG12      THR   6   8.810   0.544  -6.454

  No H/Q in entry =           7
  In of MODEL   21
    1    H    GLY   7           H        GLY   7   6.080   1.343  -5.498
    2    HA2  GLY   7           HA3      GLY   7   5.157  -0.739  -3.730
    3    HA3  GLY   7           HXT      GLY   7   5.403  -1.285  -5.382

  No H/Q in entry =           3
  In of MODEL   21
    1    HB2  PRO   8           HG2      PRO   8  -0.069  -1.332  -4.013
    2    HB3  PRO   8           HG3      PRO   8  -0.119  -1.682  -5.742
    3    HG2  PRO   8           HD2      PRO   8   1.130  -3.298  -3.974
    4    HD2  PRO   8           HD3      PRO   8   2.739  -1.851  -3.124
    5    HG3  PRO   8           HD3      PRO   8   1.694  -3.095  -5.643
    6    HD3  PRO   8           HXT      PRO   8   3.634  -2.521  -4.506
    7    HA   PRO   8           HB1      PRO   8   1.276   0.043  -6.220

  No H/Q in entry =           7
  In of MODEL   21
    1    H    CYS   9           H        CYS   9   1.733   0.104  -2.694
    2    HA   CYS   9           HB1      CYS   9  -0.257   2.029  -2.159
    3    HB2  CYS   9           HG2      CYS   9   0.805   0.489  -0.479
    4    HB3  CYS   9           HG3      CYS   9   2.234   1.516  -0.528

  No H/Q in entry =           4
  In of MODEL   21
    1    H    CYS  10           H        CYS  10   2.988   2.312  -3.335
    2    HA   CYS  10           HB1      CYS  10   2.781   5.243  -3.107
    3    HB2  CYS  10           HG2      CYS  10   5.211   5.355  -2.987
    4    HB3  CYS  10           HG3      CYS  10   4.592   4.322  -1.704

  No H/Q in entry =           4
  In of MODEL   21
    1    H    ARG  11           H        ARG  11   2.506   6.221  -4.987
    2    HB2  ARG  11           HG2      ARG  11   1.315   7.012  -7.089
    3    HB3  ARG  11           HG3      ARG  11   2.810   7.897  -6.821
    4    HG2  ARG  11           HD2      ARG  11   3.326   7.977  -9.040
    5    HD2  ARG  11           HD3      ARG  11   1.268   8.315 -10.382
    6    HG3  ARG  11           HD3      ARG  11   2.470   6.478  -9.407
    7    HE   ARG  11          HH12      ARG  11   1.955   9.802  -8.152
    8   HH11  ARG  11          HH21      ARG  11  -0.917   9.168 -10.030
    9   HH12  ARG  11          HH22      ARG  11  -1.630  10.709  -9.691
   10    HD3  ARG  11           HXT      ARG  11   0.328   7.671  -9.037
   11   HH21  ARG  11           HXT      ARG  11   1.018  11.830  -7.705
   12   HH22  ARG  11           H1       ARG  11  -0.532  12.221  -8.371
   13    HA   ARG  11           HB1      ARG  11   2.556   4.954  -7.468

  No H/Q in entry =          13
  In of MODEL   21
    1    H    GLN  12           H        GLN  12   4.743   7.660  -6.734
    2    HB2  GLN  12           HG2      GLN  12   6.030   8.823  -8.677
    3    HB3  GLN  12           HG3      GLN  12   7.710   8.350  -8.882
    4   HE21  GLN  12          HE22      GLN  12   7.045   4.951  -9.542
    5   HE22  GLN  12           HXT      GLN  12   8.412   4.742 -10.577
    6    HA   GLN  12           HB1      GLN  12   6.962   6.091  -7.852
    7    HG2  GLN  12           HD2      GLN  12   5.519   6.622  -9.945
    8    HG3  GLN  12           HD3      GLN  12   6.048   8.048 -10.837

  No H/Q in entry =           8
  In of MODEL   21
    1    H    CYS  13           H        CYS  13   5.897   7.512  -5.171
    2    HA   CYS  13           HB1      CYS  13   8.342   7.596  -3.862
    3    HB2  CYS  13           HG2      CYS  13   7.715  10.040  -5.325
    4    HB3  CYS  13           HG3      CYS  13   7.956  10.334  -3.606

  No H/Q in entry =           4
  In of MODEL   21
    1    H    LYS  14           H        LYS  14   5.313   9.470  -3.975
    2    HB2  LYS  14           HG2      LYS  14   3.604  10.696  -3.327
    3    HB3  LYS  14           HG3      LYS  14   2.718  10.409  -1.836
    4    HG2  LYS  14           HG3      LYS  14   3.914  11.933  -0.666
    5    HG3  LYS  14           HD2      LYS  14   5.393  11.643  -1.583
    6    HD2  LYS  14           HD3      LYS  14   3.177  12.831  -3.113
    7    HE2  LYS  14           HE3      LYS  14   5.283  14.436  -3.488
    8    HE3  LYS  14           HZ1      LYS  14   6.126  12.990  -2.933
    9    HZ1  LYS  14           HZ2      LYS  14   4.608  11.838  -4.682
   10    HZ2  LYS  14           HZ3      LYS  14   4.521  13.387  -5.359
   11    HD3  LYS  14           HXT      LYS  14   3.846  13.853  -1.838
   12    HZ3  LYS  14           HXT      LYS  14   6.020  12.626  -5.176
   13    HA   LYS  14           HB1      LYS  14   5.058   9.366  -1.096

  No H/Q in entry =          13
  In of MODEL   21
    1    H    LEU  15           H        LEU  15   3.412   8.326   0.050
    2   HD11  LEU  15          HD12      LEU  15   1.039   5.506   2.518
    3   HD12  LEU  15          HD13      LEU  15   1.765   6.390   3.860
    4   HD13  LEU  15          HD21      LEU  15   0.930   7.265   2.576
    5   HD21  LEU  15          HD22      LEU  15   4.191   4.931   2.553
    6   HD22  LEU  15          HD23      LEU  15   4.900   6.542   2.659
    7   HD23  LEU  15           HXT      LEU  15   3.764   5.996   3.892
    8    HG   LEU  15           HXT      LEU  15   3.053   7.565   1.845
    9    HA   LEU  15           HB1      LEU  15   2.220   6.045  -1.374
   10    HB2  LEU  15           HG2      LEU  15   2.074   4.953   0.808
   11    HB3  LEU  15           HG3      LEU  15   3.722   5.412   0.424

  No H/Q in entry =          11
  In of MODEL   21
    1    H    LYS  16           H        LYS  16   0.055   5.444  -0.938
    2    HB2  LYS  16           HG2      LYS  16  -1.995   4.586  -0.662
    3    HB3  LYS  16           HG3      LYS  16  -3.406   5.564  -0.282
    4    HG2  LYS  16           HG3      LYS  16  -3.645   6.307  -2.435
    5    HG3  LYS  16           HD2      LYS  16  -1.935   6.093  -2.814
    6    HD2  LYS  16           HD3      LYS  16  -2.580   3.542  -2.370
    7    HE2  LYS  16           HE3      LYS  16  -3.105   5.059  -4.921
    8    HE3  LYS  16           HZ1      LYS  16  -1.573   4.348  -4.417
    9    HZ1  LYS  16           HZ2      LYS  16  -2.695   2.157  -4.455
   10    HZ2  LYS  16           HZ3      LYS  16  -4.069   2.898  -5.109
   11    HD3  LYS  16           HXT      LYS  16  -4.161   4.136  -2.882
   12    HZ3  LYS  16           HXT      LYS  16  -2.616   2.895  -5.975
   13    HA   LYS  16           HB1      LYS  16  -1.772   7.561  -0.842

  No H/Q in entry =          13
  In of MODEL   21
    1    HB2  PRO  17           HG2      PRO  17  -5.302   8.386   3.510
    2    HB3  PRO  17           HG3      PRO  17  -4.378   9.762   2.899
    3    HG2  PRO  17           HD2      PRO  17  -5.734   7.568   1.393
    4    HD2  PRO  17           HD3      PRO  17  -4.105   7.485  -0.248
    5    HG3  PRO  17           HD3      PRO  17  -5.635   9.297   1.012
    6    HD3  PRO  17           HXT      PRO  17  -3.500   9.110   0.135
    7    HA   PRO  17           HB1      PRO  17  -2.545   8.499   3.383

  No H/Q in entry =           7
  In of MODEL   21
    1    H    ALA  18           H        ALA  18  -2.880   7.547   5.356
    2    HA   ALA  18           HB1      ALA  18  -2.820   4.758   5.528
    3    HB1  ALA  18           HB2      ALA  18  -3.046   6.990   7.449
    4    HB2  ALA  18           HB3      ALA  18  -1.924   5.630   7.413
    5    HB3  ALA  18           HXT      ALA  18  -3.564   5.404   8.020

  No H/Q in entry =           5
  In of MODEL   21
    1    H    GLY  19           H        GLY  19  -4.419   3.428   4.977
    2    HA2  GLY  19           HA3      GLY  19  -7.146   4.095   5.900
    3    HA3  GLY  19           HXT      GLY  19  -6.516   2.458   5.802

  No H/Q in entry =           3
  In of MODEL   21
    1    H    THR  20           H        THR  20  -5.200   3.208   3.173
    2    HG1  THR  20          HG21      THR  20  -6.557   5.565   1.807
    3   HG21  THR  20          HG22      THR  20  -7.573   4.689  -0.408
    4   HG22  THR  20          HG23      THR  20  -6.047   5.220  -1.117
    5   HG23  THR  20           HXT      THR  20  -6.531   3.527  -1.231
    6    HA   THR  20           HB1      THR  20  -7.621   3.243   1.498
    7    HB   THR  20          HG12      THR  20  -4.849   3.760   0.463

  No H/Q in entry =           7
  In of MODEL   21
    1    H    THR  21           H        THR  21  -7.693   1.849  -0.350
    2    HG1  THR  21          HG21      THR  21  -9.488   0.744  -1.421
    3   HG21  THR  21          HG22      THR  21  -8.026  -2.080   0.519
    4   HG22  THR  21          HG23      THR  21  -9.502  -2.172  -0.441
    5   HG23  THR  21           HXT      THR  21  -7.979  -2.762  -1.107
    6    HA   THR  21           HB1      THR  21  -6.390  -0.707   0.170
    7    HB   THR  21          HG12      THR  21  -8.149  -0.720  -2.124

  No H/Q in entry =           7
  In of MODEL   21
    1    H    CYS  22           H        CYS  22  -4.569  -1.218  -0.828
    2    HA   CYS  22           HB1      CYS  22  -3.816   0.194  -3.271
    3    HB2  CYS  22           HG2      CYS  22  -1.579  -0.688  -2.878
    4    HB3  CYS  22           HG3      CYS  22  -2.190   0.081  -1.417

  No H/Q in entry =           4
  In of MODEL   21
    1    H    TRP  23           H        TRP  23  -4.343  -3.085  -2.065
    2    HE1  TRP  23           HE3      TRP  23  -1.751  -7.267  -6.872
    3    HE3  TRP  23           HZ2      TRP  23  -3.781  -8.396  -2.057
    4    HZ2  TRP  23           HZ3      TRP  23  -1.593 -10.013  -6.235
    5    HZ3  TRP  23           HH2      TRP  23  -3.244 -10.776  -2.376
    6    HH2  TRP  23           HXT      TRP  23  -2.173 -11.566  -4.423
    7    HA   TRP  23           HB1      TRP  23  -4.052  -4.116  -4.799
    8    HB2  TRP  23           HG2      TRP  23  -2.968  -5.085  -2.519
    9    HB3  TRP  23           HG3      TRP  23  -4.468  -6.006  -2.558
   10    HD1  TRP  23           HD2      TRP  23  -2.607  -5.098  -5.783

  No H/Q in entry =          10
  In of MODEL   21
    1    H    LYS  24           H        LYS  24  -5.793  -4.634  -5.941
    2    HB2  LYS  24           HG2      LYS  24  -7.814  -3.196  -6.598
    3    HB3  LYS  24           HG3      LYS  24  -9.339  -4.071  -6.636
    4    HG2  LYS  24           HG3      LYS  24  -8.529  -3.016  -4.008
    5    HG3  LYS  24           HD2      LYS  24  -8.940  -1.817  -5.235
    6    HD2  LYS  24           HD3      LYS  24 -11.128  -2.389  -5.248
    7    HE2  LYS  24           HE3      LYS  24 -11.624  -3.714  -2.946
    8    HE3  LYS  24           HZ1      LYS  24 -10.006  -3.095  -2.620
    9    HZ1  LYS  24           HZ2      LYS  24 -10.996  -0.884  -3.464
   10    HZ2  LYS  24           HZ3      LYS  24 -12.491  -1.601  -3.131
   11    HD3  LYS  24           HXT      LYS  24 -10.789  -4.103  -5.000
   12    HZ3  LYS  24           HXT      LYS  24 -11.356  -1.396  -1.893
   13    HA   LYS  24           HB1      LYS  24  -8.283  -5.282  -4.520

  No H/Q in entry =          13
  In of MODEL   21
    1    H    THR  25           H        THR  25  -6.353  -7.057  -5.664
    2    HG1  THR  25          HG21      THR  25  -4.528  -7.825  -7.195
    3   HG21  THR  25          HG22      THR  25  -5.655  -9.484  -9.030
    4   HG22  THR  25          HG23      THR  25  -4.414 -10.259  -8.046
    5   HG23  THR  25           HXT      THR  25  -6.031 -10.957  -8.136
    6    HA   THR  25           HB1      THR  25  -7.005  -7.931  -8.243
    7    HB   THR  25          HG12      THR  25  -6.166  -9.882  -6.134

  No H/Q in entry =           7
  In of MODEL   21
    1    H    SER  26           H        SER  26  -7.910 -10.232  -8.620
    2    HG   SER  26           HXT      SER  26 -11.994 -10.987 -10.046
    3    HA   SER  26           HB1      SER  26 -10.587 -10.264  -7.470
    4    HB2  SER  26           HG2      SER  26  -9.968 -10.483 -10.003
    5    HB3  SER  26           HG3      SER  26  -9.654 -12.170  -9.594

  No H/Q in entry =           5
  In of MODEL   21
    1    H    VAL  27           H        VAL  27  -8.887 -10.966  -5.536
    2    HB   VAL  27          HG12      VAL  27  -7.289 -14.358  -4.380
    3   HG11  VAL  27          HG12      VAL  27  -8.671 -15.082  -6.407
    4   HG12  VAL  27          HG13      VAL  27  -7.662 -13.971  -7.333
    5   HG13  VAL  27          HG21      VAL  27  -6.926 -15.328  -6.479
    6   HG21  VAL  27          HG22      VAL  27  -6.695 -11.978  -6.131
    7   HG22  VAL  27          HG23      VAL  27  -6.178 -12.244  -4.466
    8   HG23  VAL  27           HXT      VAL  27  -5.525 -13.246  -5.762
    9    HA   VAL  27           HB1      VAL  27  -9.664 -13.679  -4.971

  No H/Q in entry =           9
  In of MODEL   21
    1    H    SER  28           H        SER  28  -7.635 -10.948  -4.006
    2    HG   SER  28           HXT      SER  28  -8.135 -12.462   0.314
    3    HA   SER  28           HB1      SER  28  -8.910 -10.763  -1.458
    4    HB2  SER  28           HG2      SER  28  -6.191 -12.014  -1.665
    5    HB3  SER  28           HG3      SER  28  -6.597 -11.035  -0.256

  No H/Q in entry =           5
  In of MODEL   21
    1    H    SER  29           H        SER  29  -8.828  -8.713  -0.771
    2    HG   SER  29           HXT      SER  29 -10.744  -6.371  -1.224
    3    HA   SER  29           HB1      SER  29  -6.899  -6.917  -2.081
    4    HB2  SER  29           HG2      SER  29  -8.546  -5.108  -1.487
    5    HB3  SER  29           HG3      SER  29  -9.161  -6.305  -2.627

  No H/Q in entry =           5
  In of MODEL   21
    1    H    HIS  30           H        HIS  30  -5.908  -5.253  -0.853
    2    HD1  HIS  30           HD2      HIS  30  -2.649  -7.427   2.946
    3    HD2  HIS  30           HE1      HIS  30  -4.931  -7.923  -0.491
    4    HE1  HIS  30           HE2      HIS  30  -2.679  -9.904   2.511
    5    HE2  HIS  30           HXT      HIS  30  -3.994 -10.172   0.379
    6    HA   HIS  30           HB1      HIS  30  -5.976  -5.642   2.062
    7    HB2  HIS  30           HG2      HIS  30  -3.504  -5.279   0.357
    8    HB3  HIS  30           HG3      HIS  30  -3.522  -5.279   2.117

  No H/Q in entry =           8
  In of MODEL   21
    1    H    TYR  31           H        TYR  31  -4.756  -3.754   3.166
    2    HD1  TYR  31           HD2      TYR  31  -7.631  -3.643   3.254
    3    HD2  TYR  31           HE1      TYR  31  -7.927   0.568   2.728
    4    HE1  TYR  31           HE2      TYR  31  -9.876  -3.927   2.290
    5    HE2  TYR  31           HH       TYR  31 -10.172   0.296   1.764
    6    HH   TYR  31           HXT      TYR  31 -11.412  -1.690   0.517
    7    HA   TYR  31           HB1      TYR  31  -5.280  -1.237   1.744
    8    HB2  TYR  31           HG2      TYR  31  -6.178  -1.971   4.532
    9    HB3  TYR  31           HG3      TYR  31  -6.129  -0.312   3.943

  No H/Q in entry =           9
  In of MODEL   21
    1    H    CYS  32           H        CYS  32  -4.160   0.627   2.675
    2    HA   CYS  32           HB1      CYS  32  -1.561  -0.178   3.768
    3    HB2  CYS  32           HG2      CYS  32  -2.251   1.523   1.667
    4    HB3  CYS  32           HG3      CYS  32  -1.760   2.608   2.963

  No H/Q in entry =           4
  In of MODEL   21
    1    H    THR  33           H        THR  33  -0.677   0.796   5.583
    2    HG1  THR  33          HG21      THR  33  -1.300   0.883  10.175
    3   HG21  THR  33          HG22      THR  33   0.755   1.031   7.266
    4   HG22  THR  33          HG23      THR  33   0.820   0.677   8.993
    5   HG23  THR  33           HXT      THR  33   0.293  -0.565   7.856
    6    HA   THR  33           HB1      THR  33  -2.619   2.200   7.285
    7    HB   THR  33          HG12      THR  33  -1.787   0.090   8.198

  No H/Q in entry =           7
  In of MODEL   21
    1    H    GLY  34           H        GLY  34  -0.813   3.375   5.180
    2    HA2  GLY  34           HA3      GLY  34  -0.219   5.792   6.384
    3    HA3  GLY  34           HXT      GLY  34   0.533   5.215   4.905

  No H/Q in entry =           3
  In of MODEL   21
    1    H    ARG  35           H        ARG  35   1.652   2.862   6.396
    2    HB2  ARG  35           HG2      ARG  35   2.625   1.409   7.866
    3    HB3  ARG  35           HG3      ARG  35   4.276   1.649   8.424
    4    HG2  ARG  35           HD2      ARG  35   3.062   3.408  10.008
    5    HD2  ARG  35           HD3      ARG  35   2.658   1.302  11.556
    6    HG3  ARG  35           HD3      ARG  35   1.711   2.305   9.741
    7    HE   ARG  35          HH12      ARG  35   5.441   1.427  11.130
    8   HH11  ARG  35          HH21      ARG  35   2.741   3.459  12.003
    9   HH12  ARG  35          HH22      ARG  35   3.708   4.562  12.923
   10    HD3  ARG  35           HXT      ARG  35   3.556   0.489  10.276
   11   HH21  ARG  35           HXT      ARG  35   6.714   2.877  12.340
   12   HH22  ARG  35           H1       ARG  35   5.964   4.232  13.114
   13    HA   ARG  35           HB1      ARG  35   3.642   4.204   8.078

  No H/Q in entry =          13
  In of MODEL   21
    1    H    SER  36           H        SER  36   3.290   2.323   5.144
    2    HG   SER  36           HXT      SER  36   8.082   1.358   4.196
    3    HA   SER  36           HB1      SER  36   5.753   3.285   4.097
    4    HB2  SER  36           HG2      SER  36   6.584   1.502   5.644
    5    HB3  SER  36           HG3      SER  36   5.662   0.323   4.711

  No H/Q in entry =           5
  In of MODEL   21
    1    H    CYS  37           H        CYS  37   6.272   2.085   1.965
    2    HA   CYS  37           HB1      CYS  37   3.900   2.130   0.383
    3    HB2  CYS  37           HG2      CYS  37   6.053   2.911  -0.497
    4    HB3  CYS  37           HG3      CYS  37   6.712   1.285  -0.348

  No H/Q in entry =           4
  In of MODEL   21
    1    H    GLU  38           H        GLU  38   5.863  -0.378   1.814
    2    HB2  GLU  38           HG2      GLU  38   6.888  -2.291   2.052
    3    HB3  GLU  38           HG3      GLU  38   5.686  -3.019   3.108
    4    HA   GLU  38           HB1      GLU  38   4.876  -2.550   0.292
    5    HG2  GLU  38           HD2      GLU  38   6.654  -4.163   0.497
    6    HG3  GLU  38           HD3      GLU  38   7.149  -4.690   2.105

  No H/Q in entry =           6
  In of MODEL   21
    1    H    CYS  39           H        CYS  39   2.786  -3.047   0.184
    2    HA   CYS  39           HB1      CYS  39   0.883  -2.394   2.174
    3    HB2  CYS  39           HG2      CYS  39   0.733  -4.294  -0.172
    4    HB3  CYS  39           HG3      CYS  39  -0.646  -3.863   0.834

  No H/Q in entry =           4
  In of MODEL   21
    1    HB2  PRO  40           HG2      PRO  40  -1.276  -5.947   5.922
    2    HB3  PRO  40           HG3      PRO  40  -0.170  -4.639   6.357
    3    HG2  PRO  40           HD2      PRO  40  -2.369  -4.662   4.325
    4    HD2  PRO  40           HD3      PRO  40  -1.223  -3.268   2.894
    5    HG3  PRO  40           HD3      PRO  40  -1.947  -3.405   5.502
    6    HD3  PRO  40           HXT      PRO  40  -0.232  -2.585   4.199
    7    HA   PRO  40           HB1      PRO  40   1.256  -5.790   4.968

  No H/Q in entry =           7
  In of MODEL   21
    1    H    SER  41           H        SER  41   0.068  -7.893   5.575
    2    HG   SER  41           HXT      SER  41   2.090  -9.510   3.658
    3    HA   SER  41           HB1      SER  41  -0.918  -9.164   3.105
    4    HB2  SER  41           HG2      SER  41   0.870 -10.225   5.288
    5    HB3  SER  41           HG3      SER  41   0.005 -11.304   4.193

  No H/Q in entry =           5
  In of MODEL   21
    1    H    TYR  42           H        TYR  42  -2.518  -7.829   5.131
    2    HD1  TYR  42           HD2      TYR  42  -4.626  -9.294   9.845
    3    HD2  TYR  42           HE1      TYR  42  -1.316  -8.765   7.225
    4    HE1  TYR  42           HE2      TYR  42  -3.141 -10.302  11.527
    5    HE2  TYR  42           HH       TYR  42   0.178  -9.771   8.898
    6    HH   TYR  42           HXT      TYR  42  -1.002 -11.400  11.674
    7    HA   TYR  42           HB1      TYR  42  -4.008 -10.130   6.213
    8    HB2  TYR  42           HG2      TYR  42  -3.681  -7.316   7.238
    9    HB3  TYR  42           HG3      TYR  42  -4.997  -8.352   7.782

  No H/Q in entry =           9
  In of MODEL   21
    1    HB2  PRO  43           HG2      PRO  43  -7.924 -10.770   2.348
    2    HB3  PRO  43           HG3      PRO  43  -6.382 -10.261   1.651
    3    HG2  PRO  43           HD2      PRO  43  -6.906 -12.116   3.943
    4    HD2  PRO  43           HD3      PRO  43  -5.013 -11.445   5.073
    5    HG3  PRO  43           HD3      PRO  43  -5.750 -12.285   2.608
    6    HD3  PRO  43           HXT      PRO  43  -4.213 -10.877   3.593
    7    HA   PRO  43           HB1      PRO  43  -6.747  -8.399   2.947

  No H/Q in entry =           7
  In of MODEL   21
    1    H    GLY  44           H        GLY  44  -7.927  -7.262   4.571
    2    HA2  GLY  44           HA3      GLY  44  -9.464  -7.949   6.603
    3    HA3  GLY  44           HXT      GLY  44 -10.417  -8.618   5.287

  No H/Q in entry =           3
  In of MODEL   22
    1    H1   ALA   1           H1       ALA   1  10.838  13.552   2.328
    2    H2   ALA   1           H2       ALA   1   9.240  13.846   1.784
    3    H3   ALA   1           H3       ALA   1   9.588  13.854   3.465
    4    HA   ALA   1           HB1      ALA   1   8.551  11.855   3.033
    5    HB1  ALA   1           HB2      ALA   1   8.822  11.913   0.593
    6    HB2  ALA   1           HB3      ALA   1   9.249  10.341   1.270
    7    HB3  ALA   1           HXT      ALA   1  10.517  11.465   0.780

  No H/Q in entry =           7
  In of MODEL   22
    1    H    MET   2           H        MET   2   9.593   9.530   3.227
    2    HB2  MET   2           HG2      MET   2  11.238   8.151   6.369
    3    HB3  MET   2           HG3      MET   2  10.512   9.752   6.397
    4    HE1  MET   2           HE2      MET   2   8.858  10.936   6.710
    5    HE2  MET   2           HE3      MET   2   7.456  10.556   5.709
    6    HE3  MET   2           HXT      MET   2   7.249  10.880   7.431
    7    HA   MET   2           HB1      MET   2  12.153   9.735   4.655
    8    HG2  MET   2           HD2      MET   2   8.787   8.526   4.765
    9    HG3  MET   2           HD3      MET   2   9.327   7.140   5.710

  No H/Q in entry =           9
  In of MODEL   22
    1    H    ASP   3           H        ASP   3  13.238   8.744   2.960
    2    HA   ASP   3           HB1      ASP   3  14.095   7.021   1.748
    3    HB2  ASP   3           HG2      ASP   3  12.773   5.541   4.008
    4    HB3  ASP   3           HG3      ASP   3  13.582   4.673   2.707

  No H/Q in entry =           4
  In of MODEL   22
    1    H    CYS   4           H        CYS   4  12.785   7.616  -0.054
    2    HA   CYS   4           HB1      CYS   4  10.192   6.667  -0.532
    3    HB2  CYS   4           HG2      CYS   4  12.402   7.548  -2.382
    4    HB3  CYS   4           HG3      CYS   4  10.825   7.048  -2.984

  No H/Q in entry =           4
  In of MODEL   22
    1    H    THR   5           H        THR   5   9.607   4.601  -0.551
    2    HG1  THR   5          HG21      THR   5   9.547   3.410   1.055
    3   HG21  THR   5          HG22      THR   5  11.475   0.631  -0.607
    4   HG22  THR   5          HG23      THR   5  10.533   0.288   0.844
    5   HG23  THR   5           HXT      THR   5   9.868  -0.084  -0.747
    6    HA   THR   5           HB1      THR   5  11.466   2.578  -1.555
    7    HB   THR   5          HG12      THR   5   8.805   1.877  -0.397

  No H/Q in entry =           7
  In of MODEL   22
    1    H    THR   6           H        THR   6  10.316   0.692  -2.726
    2    HG1  THR   6          HG21      THR   6  11.594  -0.698  -5.471
    3   HG21  THR   6          HG22      THR   6   9.961   2.546  -6.145
    4   HG22  THR   6          HG23      THR   6  11.582   1.850  -6.173
    5   HG23  THR   6           HXT      THR   6  10.400   1.382  -7.396
    6    HA   THR   6           HB1      THR   6   8.526   1.835  -4.769
    7    HB   THR   6          HG12      THR   6   9.599  -0.218  -6.103

  No H/Q in entry =           7
  In of MODEL   22
    1    H    GLY   7           H        GLY   7   6.575   1.180  -3.955
    2    HA2  GLY   7           HA3      GLY   7   5.683  -0.891  -2.593
    3    HA3  GLY   7           HXT      GLY   7   6.056  -1.695  -4.110

  No H/Q in entry =           3
  In of MODEL   22
    1    HB2  PRO   8           HG2      PRO   8   0.490  -2.375  -4.966
    2    HB3  PRO   8           HG3      PRO   8   1.757  -2.681  -6.160
    3    HG2  PRO   8           HD2      PRO   8   1.739  -3.269  -3.225
    4    HD2  PRO   8           HD3      PRO   8   3.985  -2.832  -2.999
    5    HG3  PRO   8           HD3      PRO   8   2.303  -4.284  -4.565
    6    HD3  PRO   8           HXT      PRO   8   4.325  -3.195  -4.703
    7    HA   PRO   8           HB1      PRO   8   2.186  -0.446  -5.805

  No H/Q in entry =           7
  In of MODEL   22
    1    H    CYS   9           H        CYS   9   2.574   1.282  -3.864
    2    HA   CYS   9           HB1      CYS   9   0.035   2.019  -2.984
    3    HB2  CYS   9           HG2      CYS   9   0.873  -0.033  -1.419
    4    HB3  CYS   9           HG3      CYS   9   1.517   1.335  -0.518

  No H/Q in entry =           4
  In of MODEL   22
    1    H    CYS  10           H        CYS  10   2.261   3.224  -4.201
    2    HA   CYS  10           HB1      CYS  10   2.628   5.479  -2.406
    3    HB2  CYS  10           HG2      CYS  10   4.894   3.796  -3.450
    4    HB3  CYS  10           HG3      CYS  10   5.129   5.490  -3.036

  No H/Q in entry =           4
  In of MODEL   22
    1    H    ARG  11           H        ARG  11   3.561   7.365  -3.524
    2    HB2  ARG  11           HG2      ARG  11   3.062   9.479  -4.168
    3    HB3  ARG  11           HG3      ARG  11   3.161   9.988  -5.848
    4    HG2  ARG  11           HD2      ARG  11   0.944   9.711  -6.210
    5    HD2  ARG  11           HD3      ARG  11   1.246  10.137  -3.261
    6    HG3  ARG  11           HD3      ARG  11   0.815   8.361  -5.081
    7    HE   ARG  11          HH12      ARG  11  -1.165   9.324  -4.395
    8   HH11  ARG  11          HH21      ARG  11   0.077  11.987  -2.511
    9   HH12  ARG  11          HH22      ARG  11  -1.438  12.309  -1.737
   10    HD3  ARG  11           HXT      ARG  11   0.822  11.304  -4.513
   11   HH21  ARG  11           HXT      ARG  11  -3.159   9.747  -3.378
   12   HH22  ARG  11           H1       ARG  11  -3.275  11.037  -2.229
   13    HA   ARG  11           HB1      ARG  11   2.639   7.431  -6.298

  No H/Q in entry =          13
  In of MODEL   22
    1    H    GLN  12           H        GLN  12   4.994   6.044  -5.976
    2    HB2  GLN  12           HG2      GLN  12   6.767   8.696  -7.951
    3    HB3  GLN  12           HG3      GLN  12   7.700   7.394  -8.675
    4   HE21  GLN  12          HE22      GLN  12   6.537   9.411 -10.127
    5   HE22  GLN  12           HXT      GLN  12   6.645   8.943 -11.786
    6    HA   GLN  12           HB1      GLN  12   7.013   5.846  -7.017
    7    HG2  GLN  12           HD2      GLN  12   5.352   6.277  -8.957
    8    HG3  GLN  12           HD3      GLN  12   4.777   7.937  -8.809

  No H/Q in entry =           8
  In of MODEL   22
    1    H    CYS  13           H        CYS  13   6.370   7.636  -4.431
    2    HA   CYS  13           HB1      CYS  13   8.985   7.680  -3.453
    3    HB2  CYS  13           HG2      CYS  13   8.681   9.735  -5.223
    4    HB3  CYS  13           HG3      CYS  13   8.243  10.521  -3.710

  No H/Q in entry =           4
  In of MODEL   22
    1    H    LYS  14           H        LYS  14   5.811   9.219  -3.354
    2    HB2  LYS  14           HG2      LYS  14   3.564   9.981  -2.278
    3    HB3  LYS  14           HG3      LYS  14   3.826  10.720  -0.704
    4    HG2  LYS  14           HG3      LYS  14   5.812  11.368  -2.784
    5    HG3  LYS  14           HD2      LYS  14   4.183  12.003  -3.029
    6    HD2  LYS  14           HD3      LYS  14   4.272  13.329  -1.150
    7    HE2  LYS  14           HE3      LYS  14   6.357  13.587  -2.844
    8    HE3  LYS  14           HZ1      LYS  14   6.036  14.679  -1.498
    9    HZ1  LYS  14           HZ2      LYS  14   7.516  13.272  -0.130
   10    HZ2  LYS  14           HZ3      LYS  14   7.906  12.374  -1.510
   11    HD3  LYS  14           HXT      LYS  14   5.462  12.299  -0.352
   12    HZ3  LYS  14           HXT      LYS  14   8.313  14.014  -1.426
   13    HA   LYS  14           HB1      LYS  14   5.993   9.707  -0.506

  No H/Q in entry =          13
  In of MODEL   22
    1    H    LEU  15           H        LEU  15   4.053   8.999   0.855
    2   HD11  LEU  15          HD12      LEU  15   2.277   4.797   2.210
    3   HD12  LEU  15          HD13      LEU  15   3.441   3.929   1.210
    4   HD13  LEU  15          HD21      LEU  15   3.223   3.479   2.901
    5   HD21  LEU  15          HD22      LEU  15   5.666   5.651   0.982
    6   HD22  LEU  15          HD23      LEU  15   6.454   5.203   2.494
    7   HD23  LEU  15           HXT      LEU  15   5.625   3.977   1.535
    8    HG   LEU  15           HXT      LEU  15   4.514   5.161   3.660
    9    HA   LEU  15           HB1      LEU  15   3.536   6.150   0.319
   10    HB2  LEU  15           HG2      LEU  15   4.688   7.391   2.549
   11    HB3  LEU  15           HG3      LEU  15   3.069   6.955   3.060

  No H/Q in entry =          11
  In of MODEL   22
    1    H    LYS  16           H        LYS  16   1.498   5.553  -0.016
    2    HB2  LYS  16           HG2      LYS  16  -0.253   4.500  -0.502
    3    HB3  LYS  16           HG3      LYS  16  -1.841   4.904   0.136
    4    HG2  LYS  16           HG3      LYS  16  -2.446   6.089  -1.746
    5    HG3  LYS  16           HD2      LYS  16  -0.773   6.385  -2.224
    6    HD2  LYS  16           HD3      LYS  16  -0.616   3.855  -2.572
    7    HE2  LYS  16           HE3      LYS  16  -2.617   4.940  -4.474
    8    HE3  LYS  16           HZ1      LYS  16  -1.096   5.815  -4.304
    9    HZ1  LYS  16           HZ2      LYS  16  -1.224   2.903  -4.838
   10    HZ2  LYS  16           HZ3      LYS  16  -1.148   4.059  -6.070
   11    HD3  LYS  16           HXT      LYS  16  -2.379   3.859  -2.481
   12    HZ3  LYS  16           HXT      LYS  16   0.122   3.920  -4.959
   13    HA   LYS  16           HB1      LYS  16  -0.624   7.375  -0.143

  No H/Q in entry =          13
  In of MODEL   22
    1    HB2  PRO  17           HG2      PRO  17  -4.956   7.427   3.517
    2    HB3  PRO  17           HG3      PRO  17  -4.055   8.900   3.143
    3    HG2  PRO  17           HD2      PRO  17  -4.921   6.693   1.318
    4    HD2  PRO  17           HD3      PRO  17  -3.035   6.875  -0.005
    5    HG3  PRO  17           HD3      PRO  17  -4.950   8.446   1.050
    6    HD3  PRO  17           HXT      PRO  17  -2.696   8.532   0.538
    7    HA   PRO  17           HB1      PRO  17  -2.262   7.713   3.925

  No H/Q in entry =           7
  In of MODEL   22
    1    H    ALA  18           H        ALA  18  -2.768   6.477   5.678
    2    HA   ALA  18           HB1      ALA  18  -2.549   3.697   5.525
    3    HB1  ALA  18           HB2      ALA  18  -3.535   5.515   7.705
    4    HB2  ALA  18           HB3      ALA  18  -1.969   4.715   7.566
    5    HB3  ALA  18           HXT      ALA  18  -3.416   3.768   7.912

  No H/Q in entry =           5
  In of MODEL   22
    1    H    GLY  19           H        GLY  19  -4.160   2.091   6.276
    2    HA2  GLY  19           HA3      GLY  19  -6.917   2.555   6.336
    3    HA3  GLY  19           HXT      GLY  19  -6.162   1.004   6.001

  No H/Q in entry =           3
  In of MODEL   22
    1    H    THR  20           H        THR  20  -4.765   2.265   3.634
    2    HG1  THR  20          HG21      THR  20  -5.490   4.708   2.922
    3   HG21  THR  20          HG22      THR  20  -6.067   2.847  -0.553
    4   HG22  THR  20          HG23      THR  20  -6.444   4.543  -0.250
    5   HG23  THR  20           HXT      THR  20  -4.800   4.068  -0.675
    6    HA   THR  20           HB1      THR  20  -7.089   2.417   1.830
    7    HB   THR  20          HG12      THR  20  -4.296   3.501   1.416

  No H/Q in entry =           7
  In of MODEL   22
    1    H    THR  21           H        THR  21  -7.435   0.595   0.763
    2    HG1  THR  21          HG21      THR  21  -6.735  -3.317  -1.065
    3   HG21  THR  21          HG22      THR  21  -8.084   0.377  -1.113
    4   HG22  THR  21          HG23      THR  21  -8.652  -0.911  -2.176
    5   HG23  THR  21           HXT      THR  21  -9.398  -0.679  -0.594
    6    HA   THR  21           HB1      THR  21  -5.644  -1.546   0.582
    7    HB   THR  21          HG12      THR  21  -7.933  -2.047   0.320

  No H/Q in entry =           7
  In of MODEL   22
    1    H    CYS  22           H        CYS  22  -4.938  -2.531  -1.549
    2    HA   CYS  22           HB1      CYS  22  -4.110  -0.523  -3.511
    3    HB2  CYS  22           HG2      CYS  22  -1.811  -1.665  -3.520
    4    HB3  CYS  22           HG3      CYS  22  -2.165  -0.569  -2.189

  No H/Q in entry =           4
  In of MODEL   22
    1    H    TRP  23           H        TRP  23  -4.123  -3.970  -2.653
    2    HE1  TRP  23           HE3      TRP  23  -1.874  -7.847  -7.739
    3    HE3  TRP  23           HZ2      TRP  23  -4.207  -9.234  -3.133
    4    HZ2  TRP  23           HZ3      TRP  23  -2.014 -10.644  -7.383
    5    HZ3  TRP  23           HH2      TRP  23  -3.894 -11.613  -3.678
    6    HH2  TRP  23           HXT      TRP  23  -2.820 -12.302  -5.759
    7    HA   TRP  23           HB1      TRP  23  -4.069  -4.736  -5.453
    8    HB2  TRP  23           HG2      TRP  23  -3.037  -5.933  -3.270
    9    HB3  TRP  23           HG3      TRP  23  -4.582  -6.773  -3.359
   10    HD1  TRP  23           HD2      TRP  23  -2.559  -5.720  -6.461

  No H/Q in entry =          10
  In of MODEL   22
    1    H    LYS  24           H        LYS  24  -5.706  -5.944  -6.484
    2    HB2  LYS  24           HG2      LYS  24  -8.087  -3.989  -5.396
    3    HB3  LYS  24           HG3      LYS  24  -8.672  -4.272  -7.030
    4    HG2  LYS  24           HG3      LYS  24 -10.669  -5.121  -6.320
    5    HG3  LYS  24           HD2      LYS  24 -10.005  -5.698  -4.790
    6    HD2  LYS  24           HD3      LYS  24 -10.027  -3.533  -3.850
    7    HE2  LYS  24           HE3      LYS  24 -12.510  -3.752  -5.546
    8    HE3  LYS  24           HZ1      LYS  24 -12.253  -4.563  -4.002
    9    HZ1  LYS  24           HZ2      LYS  24 -11.842  -2.189  -3.139
   10    HZ2  LYS  24           HZ3      LYS  24 -12.651  -1.694  -4.539
   11    HD3  LYS  24           HXT      LYS  24 -10.284  -2.771  -5.421
   12    HZ3  LYS  24           HXT      LYS  24 -13.435  -2.687  -3.417
   13    HA   LYS  24           HB1      LYS  24  -8.157  -6.670  -5.356

  No H/Q in entry =          13
  In of MODEL   22
    1    H    THR  25           H        THR  25  -7.670  -8.447  -6.698
    2    HG1  THR  25          HG21      THR  25  -7.231 -10.712 -10.320
    3   HG21  THR  25          HG22      THR  25  -6.089  -9.733  -7.240
    4   HG22  THR  25          HG23      THR  25  -6.405 -11.106  -8.300
    5   HG23  THR  25           HXT      THR  25  -4.898 -10.203  -8.453
    6    HA   THR  25           HB1      THR  25  -8.355  -7.997  -9.521
    7    HB   THR  25          HG12      THR  25  -5.949  -8.361  -9.394

  No H/Q in entry =           7
  In of MODEL   22
    1    H    SER  26           H        SER  26 -10.431  -8.563  -8.211
    2    HG   SER  26           HXT      SER  26 -10.766 -12.181 -10.894
    3    HA   SER  26           HB1      SER  26 -12.111 -10.028  -7.727
    4    HB2  SER  26           HG2      SER  26 -12.626 -11.543  -9.448
    5    HB3  SER  26           HG3      SER  26 -11.665 -10.305 -10.256

  No H/Q in entry =           5
  In of MODEL   22
    1    H    VAL  27           H        VAL  27  -9.753 -10.343  -6.121
    2    HB   VAL  27          HG12      VAL  27  -7.683 -13.263  -4.772
    3   HG11  VAL  27          HG12      VAL  27  -9.067 -14.169  -6.855
    4   HG12  VAL  27          HG13      VAL  27  -7.956 -13.106  -7.719
    5   HG13  VAL  27          HG21      VAL  27  -7.325 -14.404  -6.705
    6   HG21  VAL  27          HG22      VAL  27  -7.710 -10.828  -6.529
    7   HG22  VAL  27          HG23      VAL  27  -6.932 -11.049  -4.962
    8   HG23  VAL  27           HXT      VAL  27  -6.288 -11.861  -6.389
    9    HA   VAL  27           HB1      VAL  27 -10.164 -13.121  -5.299

  No H/Q in entry =           9
  In of MODEL   22
    1    H    SER  28           H        SER  28  -8.603 -10.047  -4.480
    2    HG   SER  28           HXT      SER  28  -9.374 -11.390   0.006
    3    HA   SER  28           HB1      SER  28  -9.919  -9.698  -2.049
    4    HB2  SER  28           HG2      SER  28  -8.192 -11.757  -1.725
    5    HB3  SER  28           HG3      SER  28  -7.139 -10.404  -1.313

  No H/Q in entry =           5
  In of MODEL   22
    1    H    SER  29           H        SER  29  -8.249  -8.289  -0.510
    2    HG   SER  29           HXT      SER  29 -10.118  -5.150  -2.135
    3    HA   SER  29           HB1      SER  29  -6.722  -6.468  -2.204
    4    HB2  SER  29           HG2      SER  29  -8.516  -5.103  -0.286
    5    HB3  SER  29           HG3      SER  29  -8.022  -4.623  -1.909

  No H/Q in entry =           5
  In of MODEL   22
    1    H    HIS  30           H        HIS  30  -5.183  -5.228  -1.086
    2    HD1  HIS  30           HD2      HIS  30  -0.741  -7.431   0.778
    3    HD2  HIS  30           HE1      HIS  30  -4.555  -8.037  -0.755
    4    HE1  HIS  30           HE2      HIS  30  -0.826  -9.859   0.126
    5    HE2  HIS  30           HXT      HIS  30  -3.172 -10.222  -0.718
    6    HA   HIS  30           HB1      HIS  30  -4.660  -6.169   1.654
    7    HB2  HIS  30           HG2      HIS  30  -2.781  -5.225  -0.513
    8    HB3  HIS  30           HG3      HIS  30  -2.279  -5.463   1.158

  No H/Q in entry =           8
  In of MODEL   22
    1    H    TYR  31           H        TYR  31  -5.372  -4.714   3.074
    2    HD1  TYR  31           HD2      TYR  31  -7.542  -3.557   2.248
    3    HD2  TYR  31           HE1      TYR  31  -7.966  -1.167   5.742
    4    HE1  TYR  31           HE2      TYR  31  -9.873  -3.076   1.630
    5    HE2  TYR  31           HH       TYR  31 -10.298  -0.681   5.134
    6    HH   TYR  31           HXT      TYR  31 -11.550  -1.060   2.194
    7    HA   TYR  31           HB1      TYR  31  -5.578  -1.928   2.504
    8    HB2  TYR  31           HG2      TYR  31  -6.123  -3.689   4.833
    9    HB3  TYR  31           HG3      TYR  31  -5.856  -1.983   5.172

  No H/Q in entry =           9
  In of MODEL   22
    1    H    CYS  32           H        CYS  32  -3.857  -0.650   2.332
    2    HA   CYS  32           HB1      CYS  32  -1.337  -1.247   3.510
    3    HB2  CYS  32           HG2      CYS  32  -2.410   1.212   2.127
    4    HB3  CYS  32           HG3      CYS  32  -0.760   1.101   2.729

  No H/Q in entry =           4
  In of MODEL   22
    1    H    THR  33           H        THR  33  -0.321  -0.367   5.274
    2    HG1  THR  33          HG21      THR  33   0.501   1.278   8.994
    3   HG21  THR  33          HG22      THR  33   1.378   0.096   6.630
    4   HG22  THR  33          HG23      THR  33   1.722  -0.583   8.221
    5   HG23  THR  33           HXT      THR  33   0.935  -1.573   6.992
    6    HA   THR  33           HB1      THR  33  -2.080   0.921   7.218
    7    HB   THR  33          HG12      THR  33  -0.933  -0.986   8.078

  No H/Q in entry =           7
  In of MODEL   22
    1    H    GLY  34           H        GLY  34  -0.614   2.227   4.834
    2    HA2  GLY  34           HA3      GLY  34  -0.286   4.760   5.866
    3    HA3  GLY  34           HXT      GLY  34   0.486   4.196   4.392

  No H/Q in entry =           3
  In of MODEL   22
    1    H    ARG  35           H        ARG  35   1.972   2.115   5.955
    2    HB2  ARG  35           HG2      ARG  35   2.739   1.570   8.292
    3    HB3  ARG  35           HG3      ARG  35   4.125   0.880   7.459
    4    HG2  ARG  35           HD2      ARG  35   5.605   1.680   8.966
    5    HD2  ARG  35           HD3      ARG  35   3.632   0.493  10.171
    6    HG3  ARG  35           HD3      ARG  35   4.672   3.147   9.269
    7    HE   ARG  35          HH12      ARG  35   2.605   2.975  10.456
    8   HH11  ARG  35          HH21      ARG  35   3.883   0.653  12.727
    9   HH12  ARG  35          HH22      ARG  35   2.865   1.176  14.027
   10    HD3  ARG  35           HXT      ARG  35   4.863   1.326  11.119
   11   HH21  ARG  35           HXT      ARG  35   1.265   3.665  12.164
   12   HH22  ARG  35           H1       ARG  35   1.379   2.886  13.707
   13    HA   ARG  35           HB1      ARG  35   3.843   3.841   7.421

  No H/Q in entry =          13
  In of MODEL   22
    1    H    SER  36           H        SER  36   3.584   1.589   4.749
    2    HG   SER  36           HXT      SER  36   5.943  -1.351   4.450
    3    HA   SER  36           HB1      SER  36   6.059   2.604   3.645
    4    HB2  SER  36           HG2      SER  36   6.817   0.153   3.235
    5    HB3  SER  36           HG3      SER  36   7.107   0.871   4.819

  No H/Q in entry =           5
  In of MODEL   22
    1    H    CYS  37           H        CYS  37   6.492   1.460   1.463
    2    HA   CYS  37           HB1      CYS  37   4.131   1.742  -0.110
    3    HB2  CYS  37           HG2      CYS  37   6.903   0.779  -0.845
    4    HB3  CYS  37           HG3      CYS  37   5.620   1.106  -2.005

  No H/Q in entry =           4
  In of MODEL   22
    1    H    GLU  38           H        GLU  38   5.906  -0.958   1.211
    2    HB2  GLU  38           HG2      GLU  38   5.654  -3.117   2.539
    3    HB3  GLU  38           HG3      GLU  38   5.476  -4.511   1.483
    4    HA   GLU  38           HB1      GLU  38   4.901  -3.021  -0.388
    5    HG2  GLU  38           HD2      GLU  38   7.510  -2.313   1.187
    6    HG3  GLU  38           HD3      GLU  38   7.812  -3.938   1.799

  No H/Q in entry =           6
  In of MODEL   22
    1    H    CYS  39           H        CYS  39   3.119  -4.342  -0.250
    2    HA   CYS  39           HB1      CYS  39   0.908  -3.293   1.371
    3    HB2  CYS  39           HG2      CYS  39   1.019  -4.864  -1.190
    4    HB3  CYS  39           HG3      CYS  39  -0.454  -4.810  -0.228

  No H/Q in entry =           4
  In of MODEL   22
    1    HB2  PRO  40           HG2      PRO  40   0.752  -6.269   6.012
    2    HB3  PRO  40           HG3      PRO  40   2.407  -5.857   5.551
    3    HG2  PRO  40           HD2      PRO  40  -0.094  -4.234   5.286
    4    HD2  PRO  40           HD3      PRO  40   0.610  -3.249   3.321
    5    HG3  PRO  40           HD3      PRO  40   1.520  -3.725   5.818
    6    HD3  PRO  40           HXT      PRO  40   2.323  -3.574   3.659
    7    HA   PRO  40           HB1      PRO  40   1.912  -7.116   3.698

  No H/Q in entry =           7
  In of MODEL   22
    1    H    SER  41           H        SER  41   0.510  -8.671   4.810
    2    HG   SER  41           HXT      SER  41   0.333 -11.097   3.420
    3    HA   SER  41           HB1      SER  41  -2.071  -8.827   3.506
    4    HB2  SER  41           HG2      SER  41  -0.576 -10.758   5.292
    5    HB3  SER  41           HG3      SER  41  -2.157 -11.096   4.587

  No H/Q in entry =           5
  In of MODEL   22
    1    H    TYR  42           H        TYR  42  -2.408  -6.747   5.007
    2    HD1  TYR  42           HD2      TYR  42  -0.230  -5.037   8.029
    3    HD2  TYR  42           HE1      TYR  42  -3.188  -7.793   9.353
    4    HE1  TYR  42           HE2      TYR  42   1.361  -5.949   9.668
    5    HE2  TYR  42           HH       TYR  42  -1.606  -8.712  10.996
    6    HH   TYR  42           HXT      TYR  42   1.704  -8.064  10.921
    7    HA   TYR  42           HB1      TYR  42  -3.778  -7.686   7.442
    8    HB2  TYR  42           HG2      TYR  42  -2.240  -5.172   6.876
    9    HB3  TYR  42           HG3      TYR  42  -3.507  -5.171   8.098

  No H/Q in entry =           9
  In of MODEL   22
    1    HB2  PRO  43           HG2      PRO  43  -8.716  -8.036   4.760
    2    HB3  PRO  43           HG3      PRO  43  -7.396  -8.066   3.585
    3    HG2  PRO  43           HD2      PRO  43  -7.550  -9.331   6.294
    4    HD2  PRO  43           HD3      PRO  43  -5.305  -9.007   6.704
    5    HG3  PRO  43           HD3      PRO  43  -6.925 -10.006   4.778
    6    HD3  PRO  43           HXT      PRO  43  -4.905  -8.913   4.977
    7    HA   PRO  43           HB1      PRO  43  -6.957  -5.991   4.472

  No H/Q in entry =           7
  In of MODEL   22
    1    H    GLY  44           H        GLY  44  -9.421  -5.820   4.969
    2    HA2  GLY  44           HA3      GLY  44  -9.723  -4.394   7.369
    3    HA3  GLY  44           HXT      GLY  44 -10.374  -6.009   7.606

  No H/Q in entry =           3
  In of MODEL   23
    1    H1   ALA   1           H1       ALA   1  13.619  13.033   0.410
    2    H2   ALA   1           H2       ALA   1  12.599  14.252   1.057
    3    H3   ALA   1           H3       ALA   1  13.932  14.686   0.071
    4    HA   ALA   1           HB1      ALA   1  15.461  14.158   1.651
    5    HB1  ALA   1           HB2      ALA   1  14.560  15.278   3.750
    6    HB2  ALA   1           HB3      ALA   1  13.036  15.437   2.877
    7    HB3  ALA   1           HXT      ALA   1  14.493  16.211   2.254

  No H/Q in entry =           7
  In of MODEL   23
    1    H    MET   2           H        MET   2  12.366  12.660   2.281
    2    HB2  MET   2           HG2      MET   2  11.315  10.383   5.008
    3    HB3  MET   2           HG3      MET   2  11.556  12.125   5.032
    4    HE1  MET   2           HE2      MET   2   8.163  12.589   2.276
    5    HE2  MET   2           HE3      MET   2   6.807  12.660   3.403
    6    HE3  MET   2           HXT      MET   2   8.113  13.840   3.518
    7    HA   MET   2           HB1      MET   2  13.597  10.960   4.339
    8    HG2  MET   2           HD2      MET   2  10.444  12.280   2.840
    9    HG3  MET   2           HD3      MET   2  10.144  10.544   2.896

  No H/Q in entry =           9
  In of MODEL   23
    1    H    ASP   3           H        ASP   3  14.178  10.559   1.576
    2    HA   ASP   3           HB1      ASP   3  14.352   8.882   0.051
    3    HB2  ASP   3           HG2      ASP   3  13.195   7.181   2.270
    4    HB3  ASP   3           HG3      ASP   3  14.017   6.580   0.833

  No H/Q in entry =           4
  In of MODEL   23
    1    H    CYS   4           H        CYS   4  13.126   7.533  -1.415
    2    HA   CYS   4           HB1      CYS   4  10.269   8.234  -1.399
    3    HB2  CYS   4           HG2      CYS   4  12.258   7.810  -3.598
    4    HB3  CYS   4           HG3      CYS   4  10.547   7.542  -3.915

  No H/Q in entry =           4
  In of MODEL   23
    1    H    THR   5           H        THR   5   8.976   6.640  -0.786
    2    HG1  THR   5          HG21      THR   5   6.402   5.522   0.677
    3   HG21  THR   5          HG22      THR   5   9.199   5.163   1.603
    4   HG22  THR   5          HG23      THR   5   7.704   4.413   2.165
    5   HG23  THR   5           HXT      THR   5   9.015   3.410   1.543
    6    HA   THR   5           HB1      THR   5   9.818   3.902  -0.777
    7    HB   THR   5          HG12      THR   5   7.309   3.591  -0.128

  No H/Q in entry =           7
  In of MODEL   23
    1    H    THR   6           H        THR   6   9.832   2.658  -2.520
    2    HG1  THR   6          HG21      THR   6  11.281   1.067  -5.246
    3   HG21  THR   6          HG22      THR   6  10.709   4.187  -4.765
    4   HG22  THR   6          HG23      THR   6  11.221   3.436  -6.277
    5   HG23  THR   6           HXT      THR   6   9.636   4.203  -6.166
    6    HA   THR   6           HB1      THR   6   7.889   3.185  -4.661
    7    HB   THR   6          HG12      THR   6   9.438   1.789  -6.063

  No H/Q in entry =           7
  In of MODEL   23
    1    H    GLY   7           H        GLY   7   6.385   1.717  -5.210
    2    HA2  GLY   7           HA3      GLY   7   5.995  -0.558  -3.492
    3    HA3  GLY   7           HXT      GLY   7   6.461  -1.007  -5.125

  No H/Q in entry =           3
  In of MODEL   23
    1    HB2  PRO   8           HG2      PRO   8   0.735  -2.409  -4.391
    2    HB3  PRO   8           HG3      PRO   8   1.890  -3.052  -5.564
    3    HG2  PRO   8           HD2      PRO   8   2.236  -2.580  -2.629
    4    HD2  PRO   8           HD3      PRO   8   4.432  -1.958  -2.857
    5    HG3  PRO   8           HD3      PRO   8   2.747  -3.969  -3.606
    6    HD3  PRO   8           HXT      PRO   8   4.646  -2.909  -4.340
    7    HA   PRO   8           HB1      PRO   8   2.133  -0.809  -6.047

  No H/Q in entry =           7
  In of MODEL   23
    1    H    CYS   9           H        CYS   9   2.653  -0.261  -2.604
    2    HA   CYS   9           HB1      CYS   9   0.187   1.305  -2.441
    3    HB2  CYS   9           HG2      CYS   9   0.754  -0.395  -0.674
    4    HB3  CYS   9           HG3      CYS   9   2.108   0.629  -0.210

  No H/Q in entry =           4
  In of MODEL   23
    1    H    CYS  10           H        CYS  10   2.634   2.190  -3.891
    2    HA   CYS  10           HB1      CYS  10   2.803   4.823  -2.652
    3    HB2  CYS  10           HG2      CYS  10   5.317   3.387  -3.504
    4    HB3  CYS  10           HG3      CYS  10   5.188   4.925  -2.658

  No H/Q in entry =           4
  In of MODEL   23
    1    H    ARG  11           H        ARG  11   3.113   6.483  -4.093
    2    HB2  ARG  11           HG2      ARG  11   1.610   7.720  -5.404
    3    HB3  ARG  11           HG3      ARG  11   2.982   8.628  -6.024
    4    HG2  ARG  11           HD2      ARG  11   1.454   7.082  -8.013
    5    HD2  ARG  11           HD3      ARG  11   3.028   9.560  -7.817
    6    HG3  ARG  11           HD3      ARG  11   0.620   8.453  -7.279
    7    HE   ARG  11          HH12      ARG  11   1.503  10.831  -8.920
    8   HH11  ARG  11          HH21      ARG  11   1.068   7.518  -9.926
    9   HH12  ARG  11          HH22      ARG  11  -0.171   7.898 -11.074
   10    HD3  ARG  11           HXT      ARG  11   2.909   8.391  -9.132
   11   HH21  ARG  11           HXT      ARG  11  -0.126  11.333 -10.430
   12   HH22  ARG  11           H1       ARG  11  -0.849  10.064 -11.362
   13    HA   ARG  11           HB1      ARG  11   2.732   5.796  -6.889

  No H/Q in entry =          13
  In of MODEL   23
    1    H    GLN  12           H        GLN  12   5.146   4.922  -6.357
    2    HB2  GLN  12           HG2      GLN  12   6.734   7.713  -8.298
    3    HB3  GLN  12           HG3      GLN  12   7.904   6.525  -8.856
    4   HE21  GLN  12          HE22      GLN  12   4.803   8.119 -10.545
    5   HE22  GLN  12           HXT      GLN  12   5.565   8.119 -12.096
    6    HA   GLN  12           HB1      GLN  12   7.269   4.967  -7.187
    7    HG2  GLN  12           HD2      GLN  12   5.970   5.061  -9.488
    8    HG3  GLN  12           HD3      GLN  12   4.913   6.427  -9.135

  No H/Q in entry =           8
  In of MODEL   23
    1    H    CYS  13           H        CYS  13   6.126   6.772  -4.780
    2    HA   CYS  13           HB1      CYS  13   8.608   7.221  -3.572
    3    HB2  CYS  13           HG2      CYS  13   8.854   9.013  -5.225
    4    HB3  CYS  13           HG3      CYS  13   7.324   9.714  -4.710

  No H/Q in entry =           4
  In of MODEL   23
    1    H    LYS  14           H        LYS  14   5.467   8.907  -3.767
    2    HB2  LYS  14           HG2      LYS  14   4.396  10.708  -2.756
    3    HB3  LYS  14           HG3      LYS  14   2.965   9.694  -2.631
    4    HG2  LYS  14           HG3      LYS  14   3.317  10.138  -0.049
    5    HG3  LYS  14           HD2      LYS  14   4.142  11.573  -0.661
    6    HD2  LYS  14           HD3      LYS  14   1.407  10.810  -1.633
    7    HE2  LYS  14           HE3      LYS  14   2.889  12.574  -2.743
    8    HE3  LYS  14           HZ1      LYS  14   1.237  13.031  -2.329
    9    HZ1  LYS  14           HZ2      LYS  14   3.255  13.534  -0.298
   10    HZ2  LYS  14           HZ3      LYS  14   3.354  14.491  -1.689
   11    HD3  LYS  14           HXT      LYS  14   1.627  11.741  -0.150
   12    HZ3  LYS  14           HXT      LYS  14   1.934  14.478  -0.769
   13    HA   LYS  14           HB1      LYS  14   5.292   9.043  -0.887

  No H/Q in entry =          13
  In of MODEL   23
    1    H    LEU  15           H        LEU  15   4.099   7.786   0.434
    2   HD11  LEU  15          HD12      LEU  15   1.804   5.127   3.217
    3   HD12  LEU  15          HD13      LEU  15   2.386   6.311   4.387
    4   HD13  LEU  15          HD21      LEU  15   1.521   6.846   2.947
    5   HD21  LEU  15          HD22      LEU  15   4.757   4.685   3.441
    6   HD22  LEU  15          HD23      LEU  15   5.609   6.190   3.097
    7   HD23  LEU  15           HXT      LEU  15   4.518   6.090   4.479
    8    HG   LEU  15           HXT      LEU  15   3.693   7.252   2.327
    9    HA   LEU  15           HB1      LEU  15   2.863   5.419  -0.748
   10    HB2  LEU  15           HG2      LEU  15   2.898   4.494   1.497
   11    HB3  LEU  15           HG3      LEU  15   4.486   5.088   1.049

  No H/Q in entry =          11
  In of MODEL   23
    1    H    LYS  16           H        LYS  16   0.754   4.744  -0.231
    2    HB2  LYS  16           HG2      LYS  16  -1.381   3.818   0.114
    3    HB3  LYS  16           HG3      LYS  16  -2.787   4.870   0.194
    4    HG2  LYS  16           HG3      LYS  16  -2.865   4.550  -2.018
    5    HG3  LYS  16           HD2      LYS  16  -1.598   5.778  -2.064
    6    HD2  LYS  16           HD3      LYS  16   0.083   4.216  -2.382
    7    HE2  LYS  16           HE3      LYS  16  -1.823   4.229  -4.196
    8    HE3  LYS  16           HZ1      LYS  16  -0.467   3.108  -4.302
    9    HZ1  LYS  16           HZ2      LYS  16  -2.794   2.204  -2.803
   10    HZ2  LYS  16           HZ3      LYS  16  -2.985   2.334  -4.478
   11    HD3  LYS  16           HXT      LYS  16  -0.876   2.898  -1.707
   12    HZ3  LYS  16           HXT      LYS  16  -1.773   1.342  -3.841
   13    HA   LYS  16           HB1      LYS  16  -1.164   6.817  -0.099

  No H/Q in entry =          13
  In of MODEL   23
    1    HB2  PRO  17           HG2      PRO  17  -4.601   7.519   4.333
    2    HB3  PRO  17           HG3      PRO  17  -3.606   8.856   3.745
    3    HG2  PRO  17           HD2      PRO  17  -5.091   6.774   2.194
    4    HD2  PRO  17           HD3      PRO  17  -3.494   6.698   0.523
    5    HG3  PRO  17           HD3      PRO  17  -4.943   8.513   1.879
    6    HD3  PRO  17           HXT      PRO  17  -2.836   8.292   0.947
    7    HA   PRO  17           HB1      PRO  17  -1.863   7.448   4.199

  No H/Q in entry =           7
  In of MODEL   23
    1    H    ALA  18           H        ALA  18  -2.202   6.335   6.075
    2    HA   ALA  18           HB1      ALA  18  -2.362   3.545   6.002
    3    HB1  ALA  18           HB2      ALA  18  -1.588   5.316   7.863
    4    HB2  ALA  18           HB3      ALA  18  -3.163   4.867   8.518
    5    HB3  ALA  18           HXT      ALA  18  -1.944   3.627   8.222

  No H/Q in entry =           5
  In of MODEL   23
    1    H    GLY  19           H        GLY  19  -4.034   2.232   5.712
    2    HA2  GLY  19           HA3      GLY  19  -6.675   3.058   6.706
    3    HA3  GLY  19           HXT      GLY  19  -6.181   1.406   6.371

  No H/Q in entry =           3
  In of MODEL   23
    1    H    THR  20           H        THR  20  -4.946   2.380   3.782
    2    HG1  THR  20          HG21      THR  20  -7.341   4.846   2.579
    3   HG21  THR  20          HG22      THR  20  -6.303   3.131  -0.367
    4   HG22  THR  20          HG23      THR  20  -7.511   4.280   0.207
    5   HG23  THR  20           HXT      THR  20  -5.919   4.850  -0.291
    6    HA   THR  20           HB1      THR  20  -7.466   2.511   2.264
    7    HB   THR  20          HG12      THR  20  -4.872   3.906   1.575

  No H/Q in entry =           7
  In of MODEL   23
    1    H    THR  21           H        THR  21  -7.521   1.399   0.291
    2    HG1  THR  21          HG21      THR  21  -8.961   0.442  -2.189
    3   HG21  THR  21          HG22      THR  21  -8.459  -1.642  -0.007
    4   HG22  THR  21          HG23      THR  21  -9.143  -1.667  -1.633
    5   HG23  THR  21           HXT      THR  21  -7.668  -2.569  -1.282
    6    HA   THR  21           HB1      THR  21  -6.136  -1.029   0.203
    7    HB   THR  21          HG12      THR  21  -6.955  -0.644  -2.399

  No H/Q in entry =           7
  In of MODEL   23
    1    H    CYS  22           H        CYS  22  -4.755  -1.799  -1.607
    2    HA   CYS  22           HB1      CYS  22  -3.147   0.182  -2.965
    3    HB2  CYS  22           HG2      CYS  22  -1.009  -0.850  -2.019
    4    HB3  CYS  22           HG3      CYS  22  -1.908   0.226  -0.956

  No H/Q in entry =           4
  In of MODEL   23
    1    H    TRP  23           H        TRP  23  -3.457  -3.239  -2.067
    2    HE1  TRP  23           HE3      TRP  23  -1.023  -7.956  -6.727
    3    HE3  TRP  23           HZ2      TRP  23  -2.444  -8.127  -1.576
    4    HZ2  TRP  23           HZ3      TRP  23  -1.033 -10.578  -5.682
    5    HZ3  TRP  23           HH2      TRP  23  -2.182 -10.574  -1.573
    6    HH2  TRP  23           HXT      TRP  23  -1.492 -11.773  -3.585
    7    HA   TRP  23           HB1      TRP  23  -2.463  -3.987  -4.726
    8    HB2  TRP  23           HG2      TRP  23  -1.394  -5.005  -2.699
    9    HB3  TRP  23           HG3      TRP  23  -2.932  -5.782  -2.338
   10    HD1  TRP  23           HD2      TRP  23  -1.510  -5.567  -5.901

  No H/Q in entry =          10
  In of MODEL   23
    1    H    LYS  24           H        LYS  24  -4.481  -3.345  -5.722
    2    HB2  LYS  24           HG2      LYS  24  -6.784  -2.404  -5.902
    3    HB3  LYS  24           HG3      LYS  24  -6.458  -3.091  -7.487
    4    HG2  LYS  24           HG3      LYS  24  -8.580  -3.817  -7.763
    5    HG3  LYS  24           HD2      LYS  24  -8.803  -4.161  -6.047
    6    HD2  LYS  24           HD3      LYS  24 -10.225  -2.313  -6.736
    7    HE2  LYS  24           HE3      LYS  24  -8.287  -1.612  -8.464
    8    HE3  LYS  24           HZ1      LYS  24  -9.563  -0.520  -7.929
    9    HZ1  LYS  24           HZ2      LYS  24  -7.834  -0.067  -6.021
   10    HZ2  LYS  24           HZ3      LYS  24  -6.731  -0.568  -7.201
   11    HD3  LYS  24           HXT      LYS  24  -8.994  -1.753  -5.603
   12    HZ3  LYS  24           HXT      LYS  24  -7.748   0.751  -7.498
   13    HA   LYS  24           HB1      LYS  24  -6.879  -4.811  -5.048

  No H/Q in entry =          13
  In of MODEL   23
    1    H    THR  25           H        THR  25  -7.304  -6.784  -5.757
    2    HG1  THR  25          HG21      THR  25  -4.402  -7.990  -6.379
    3   HG21  THR  25          HG22      THR  25  -4.969  -9.415  -8.619
    4   HG22  THR  25          HG23      THR  25  -4.469 -10.453  -7.284
    5   HG23  THR  25           HXT      THR  25  -6.011 -10.737  -8.093
    6    HA   THR  25           HB1      THR  25  -6.204  -7.616  -8.361
    7    HB   THR  25          HG12      THR  25  -6.705  -9.635  -6.217

  No H/Q in entry =           7
  In of MODEL   23
    1    H    SER  26           H        SER  26  -7.404  -9.660  -9.160
    2    HG   SER  26           HXT      SER  26  -8.205 -10.997 -11.980
    3    HA   SER  26           HB1      SER  26 -10.251  -9.028  -9.088
    4    HB2  SER  26           HG2      SER  26 -10.238 -10.848 -10.964
    5    HB3  SER  26           HG3      SER  26  -9.571  -9.251 -11.306

  No H/Q in entry =           5
  In of MODEL   23
    1    H    VAL  27           H        VAL  27  -9.532 -10.080  -6.717
    2    HB   VAL  27          HG12      VAL  27  -9.472 -13.542  -7.540
    3   HG11  VAL  27          HG12      VAL  27  -7.605 -12.070  -6.750
    4   HG12  VAL  27          HG13      VAL  27  -7.715 -12.878  -5.186
    5   HG13  VAL  27          HG21      VAL  27  -7.286 -13.800  -6.627
    6   HG21  VAL  27          HG22      VAL  27 -10.861 -14.293  -5.370
    7   HG22  VAL  27          HG23      VAL  27  -9.744 -15.360  -6.222
    8   HG23  VAL  27           HXT      VAL  27  -9.220 -14.517  -4.763
    9    HA   VAL  27           HB1      VAL  27 -11.246 -12.270  -6.414

  No H/Q in entry =           9
  In of MODEL   23
    1    H    SER  28           H        SER  28  -8.397 -10.608  -5.179
    2    HG   SER  28           HXT      SER  28  -9.385 -13.075  -1.964
    3    HA   SER  28           HB1      SER  28  -9.693 -10.107  -2.670
    4    HB2  SER  28           HG2      SER  28  -7.110 -11.616  -2.417
    5    HB3  SER  28           HG3      SER  28  -8.383 -11.380  -1.220

  No H/Q in entry =           5
  In of MODEL   23
    1    H    SER  29           H        SER  29  -9.047  -8.185  -1.943
    2    HG   SER  29           HXT      SER  29  -9.948  -6.349  -2.589
    3    HA   SER  29           HB1      SER  29  -6.462  -7.138  -2.898
    4    HB2  SER  29           HG2      SER  29  -7.535  -4.866  -2.704
    5    HB3  SER  29           HG3      SER  29  -8.224  -5.896  -3.959

  No H/Q in entry =           5
  In of MODEL   23
    1    H    HIS  30           H        HIS  30  -5.140  -6.090  -1.458
    2    HD1  HIS  30           HD2      HIS  30  -1.878  -8.276   1.702
    3    HD2  HIS  30           HE1      HIS  30  -5.308  -8.552  -0.628
    4    HE1  HIS  30           HE2      HIS  30  -2.082 -10.707   1.091
    5    HE2  HIS  30           HXT      HIS  30  -4.117 -10.835  -0.390
    6    HA   HIS  30           HB1      HIS  30  -5.845  -6.429   1.367
    7    HB2  HIS  30           HG2      HIS  30  -3.157  -5.927   0.072
    8    HB3  HIS  30           HG3      HIS  30  -3.427  -6.178   1.794

  No H/Q in entry =           8
  In of MODEL   23
    1    H    TYR  31           H        TYR  31  -4.607  -4.701   2.785
    2    HD1  TYR  31           HD2      TYR  31  -7.625  -0.215   3.687
    3    HD2  TYR  31           HE1      TYR  31  -7.448  -4.207   2.225
    4    HE1  TYR  31           HE2      TYR  31  -9.893   0.027   2.769
    5    HE2  TYR  31           HH       TYR  31  -9.716  -3.975   1.302
    6    HH   TYR  31           HXT      TYR  31 -11.793  -1.466   2.136
    7    HA   TYR  31           HB1      TYR  31  -5.146  -2.038   1.646
    8    HB2  TYR  31           HG2      TYR  31  -5.991  -3.202   4.280
    9    HB3  TYR  31           HG3      TYR  31  -5.743  -1.466   4.122

  No H/Q in entry =           9
  In of MODEL   23
    1    H    CYS  32           H        CYS  32  -4.139  -0.285   3.118
    2    HA   CYS  32           HB1      CYS  32  -1.407  -1.152   3.793
    3    HB2  CYS  32           HG2      CYS  32  -2.321   0.881   2.052
    4    HB3  CYS  32           HG3      CYS  32  -1.604   1.694   3.439

  No H/Q in entry =           4
  In of MODEL   23
    1    H    THR  33           H        THR  33  -0.443  -0.420   5.677
    2    HG1  THR  33          HG21      THR  33  -0.334  -0.869  10.232
    3   HG21  THR  33          HG22      THR  33   1.016  -0.541   7.173
    4   HG22  THR  33          HG23      THR  33   1.234  -1.224   8.784
    5   HG23  THR  33           HXT      THR  33   0.461  -2.179   7.518
    6    HA   THR  33           HB1      THR  33  -2.310   0.680   7.662
    7    HB   THR  33          HG12      THR  33  -1.471  -1.460   8.331

  No H/Q in entry =           7
  In of MODEL   23
    1    H    GLY  34           H        GLY  34  -0.550   2.129   5.631
    2    HA2  GLY  34           HA3      GLY  34   0.019   4.402   7.107
    3    HA3  GLY  34           HXT      GLY  34   0.750   4.020   5.557

  No H/Q in entry =           3
  In of MODEL   23
    1    H    ARG  35           H        ARG  35   1.918   1.517   6.775
    2    HB2  ARG  35           HG2      ARG  35   2.768   0.089   8.445
    3    HB3  ARG  35           HG3      ARG  35   4.478   0.190   8.840
    4    HG2  ARG  35           HD2      ARG  35   4.060   1.626  10.678
    5    HD2  ARG  35           HD3      ARG  35   2.181  -0.694  10.466
    6    HG3  ARG  35           HD3      ARG  35   2.382   1.870  10.187
    7    HE   ARG  35          HH12      ARG  35   1.039   0.170  12.237
    8   HH11  ARG  35          HH21      ARG  35   4.398   1.057  12.566
    9   HH12  ARG  35          HH22      ARG  35   4.184   1.779  14.125
   10    HD3  ARG  35           HXT      ARG  35   3.664  -0.546  11.407
   11   HH21  ARG  35           HXT      ARG  35   0.755   1.119  14.288
   12   HH22  ARG  35           H1       ARG  35   2.116   1.814  15.103
   13    HA   ARG  35           HB1      ARG  35   4.028   2.783   8.392

  No H/Q in entry =          13
  In of MODEL   23
    1    H    SER  36           H        SER  36   3.356   0.752   5.619
    2    HG   SER  36           HXT      SER  36   7.884  -0.823   5.195
    3    HA   SER  36           HB1      SER  36   5.931   1.384   4.489
    4    HB2  SER  36           HG2      SER  36   5.966  -0.835   6.020
    5    HB3  SER  36           HG3      SER  36   5.427  -1.540   4.496

  No H/Q in entry =           5
  In of MODEL   23
    1    H    CYS  37           H        CYS  37   6.149   0.265   2.278
    2    HA   CYS  37           HB1      CYS  37   3.792   0.857   0.789
    3    HB2  CYS  37           HG2      CYS  37   6.411   0.886   0.169
    4    HB3  CYS  37           HG3      CYS  37   5.973  -0.678  -0.510

  No H/Q in entry =           4
  In of MODEL   23
    1    H    GLU  38           H        GLU  38   5.245  -2.055   2.033
    2    HB2  GLU  38           HG2      GLU  38   4.951  -4.039   3.278
    3    HB3  GLU  38           HG3      GLU  38   4.238  -5.446   2.502
    4    HA   GLU  38           HB1      GLU  38   3.991  -3.964   0.424
    5    HG2  GLU  38           HD2      GLU  38   6.362  -5.909   1.968
    6    HG3  GLU  38           HD3      GLU  38   6.077  -4.765   0.657

  No H/Q in entry =           6
  In of MODEL   23
    1    H    CYS  39           H        CYS  39   2.104  -5.184   0.681
    2    HA   CYS  39           HB1      CYS  39   0.042  -3.892   2.343
    3    HB2  CYS  39           HG2      CYS  39  -0.337  -5.490  -0.198
    4    HB3  CYS  39           HG3      CYS  39  -1.603  -4.680   0.719

  No H/Q in entry =           4
  In of MODEL   23
    1    HB2  PRO  40           HG2      PRO  40  -1.127  -6.464   6.301
    2    HB3  PRO  40           HG3      PRO  40   0.327  -7.392   6.687
    3    HG2  PRO  40           HD2      PRO  40   0.372  -4.732   6.720
    4    HD2  PRO  40           HD3      PRO  40  -0.338  -4.136   4.610
    5    HG3  PRO  40           HD3      PRO  40   1.751  -5.658   6.099
    6    HD3  PRO  40           HXT      PRO  40   1.382  -4.362   4.232
    7    HA   PRO  40           HB1      PRO  40   0.739  -7.918   4.482

  No H/Q in entry =           7
  In of MODEL   23
    1    H    SER  41           H        SER  41  -0.995  -9.357   5.570
    2    HG   SER  41           HXT      SER  41  -0.765 -11.346   5.465
    3    HA   SER  41           HB1      SER  41  -3.248  -9.526   3.711
    4    HB2  SER  41           HG2      SER  41  -3.490 -11.835   4.894
    5    HB3  SER  41           HG3      SER  41  -2.159 -11.593   3.762

  No H/Q in entry =           5
  In of MODEL   23
    1    H    TYR  42           H        TYR  42  -3.411  -7.518   5.663
    2    HD1  TYR  42           HD2      TYR  42  -5.286  -8.904   9.548
    3    HD2  TYR  42           HE1      TYR  42  -1.814  -6.476   9.161
    4    HE1  TYR  42           HE2      TYR  42  -4.207 -10.170  11.358
    5    HE2  TYR  42           HH       TYR  42  -0.724  -7.736  10.969
    6    HH   TYR  42           HXT      TYR  42  -1.796 -10.671  12.071
    7    HA   TYR  42           HB1      TYR  42  -5.386  -8.581   7.565
    8    HB2  TYR  42           HG2      TYR  42  -3.536  -6.228   7.626
    9    HB3  TYR  42           HG3      TYR  42  -5.028  -6.170   8.558

  No H/Q in entry =           9
  In of MODEL   23
    1    HB2  PRO  43           HG2      PRO  43  -9.981  -8.082   4.437
    2    HB3  PRO  43           HG3      PRO  43  -8.552  -8.301   3.420
    3    HG2  PRO  43           HD2      PRO  43  -9.206  -9.549   6.061
    4    HD2  PRO  43           HD3      PRO  43  -7.000  -9.572   6.730
    5    HG3  PRO  43           HD3      PRO  43  -8.516 -10.299   4.609
    6    HD3  PRO  43           HXT      PRO  43  -6.394  -9.522   5.063
    7    HA   PRO  43           HB1      PRO  43  -7.914  -6.323   4.402

  No H/Q in entry =           7
  In of MODEL   23
    1    H    GLY  44           H        GLY  44 -10.433  -5.900   4.627
    2    HA2  GLY  44           HA3      GLY  44 -11.549  -4.256   5.987
    3    HA3  GLY  44           HXT      GLY  44 -10.827  -5.002   7.405

  No H/Q in entry =           3
  In of MODEL   24
    1    H1   ALA   1           H1       ALA   1  17.284   8.747   4.560
    2    H2   ALA   1           H2       ALA   1  18.772   8.293   3.840
    3    H3   ALA   1           H3       ALA   1  18.759   9.021   5.395
    4    HA   ALA   1           HB1      ALA   1  18.261  11.062   4.607
    5    HB1  ALA   1           HB2      ALA   1  20.189   9.553   2.946
    6    HB2  ALA   1           HB3      ALA   1  20.434  10.966   3.973
    7    HB3  ALA   1           HXT      ALA   1  19.716  11.152   2.372

  No H/Q in entry =           7
  In of MODEL   24
    1    H    MET   2           H        MET   2  16.002  11.067   4.153
    2    HB2  MET   2           HG2      MET   2  15.845  13.053   1.803
    3    HB3  MET   2           HG3      MET   2  16.089  11.839   0.554
    4    HE1  MET   2           HE2      MET   2  11.976  12.100   1.930
    5    HE2  MET   2           HE3      MET   2  11.338  13.540   2.723
    6    HE3  MET   2           HXT      MET   2  11.064  13.288   0.999
    7    HA   MET   2           HB1      MET   2  14.176  11.446   2.852
    8    HG2  MET   2           HD2      MET   2  14.526  13.209  -0.414
    9    HG3  MET   2           HD3      MET   2  13.513  11.954   0.297

  No H/Q in entry =           9
  In of MODEL   24
    1    H    ASP   3           H        ASP   3  13.650   9.181   3.111
    2    HA   ASP   3           HB1      ASP   3  14.203   7.489   0.786
    3    HB2  ASP   3           HG2      ASP   3  14.345   6.844   3.383
    4    HB3  ASP   3           HG3      ASP   3  12.651   6.451   3.101

  No H/Q in entry =           4
  In of MODEL   24
    1    H    CYS   4           H        CYS   4  12.692   6.963  -0.674
    2    HA   CYS   4           HB1      CYS   4  10.021   8.107  -0.331
    3    HB2  CYS   4           HG2      CYS   4  11.667   7.296  -2.692
    4    HB3  CYS   4           HG3      CYS   4   9.915   7.336  -2.849

  No H/Q in entry =           4
  In of MODEL   24
    1    H    THR   5           H        THR   5  11.661   5.056  -0.927
    2    HG1  THR   5          HG21      THR   5   9.988   4.747   1.988
    3   HG21  THR   5          HG22      THR   5   8.913   1.438   0.037
    4   HG22  THR   5          HG23      THR   5   9.913   1.487   1.489
    5   HG23  THR   5           HXT      THR   5   8.208   1.929   1.578
    6    HA   THR   5           HB1      THR   5  10.984   2.893  -0.738
    7    HB   THR   5          HG12      THR   5   8.540   3.976   0.667

  No H/Q in entry =           7
  In of MODEL   24
    1    H    THR   6           H        THR   6  10.059   1.525  -2.148
    2    HG1  THR   6          HG21      THR   6  11.096   1.330  -3.896
    3   HG21  THR   6          HG22      THR   6   8.300   2.628  -5.984
    4   HG22  THR   6          HG23      THR   6   9.569   1.710  -6.793
    5   HG23  THR   6           HXT      THR   6   8.036   0.934  -6.397
    6    HA   THR   6           HB1      THR   6   7.920   2.602  -3.855
    7    HB   THR   6          HG12      THR   6   9.365   0.165  -4.704

  No H/Q in entry =           7
  In of MODEL   24
    1    H    GLY   7           H        GLY   7   6.217   1.188  -4.544
    2    HA2  GLY   7           HA3      GLY   7   5.386  -0.605  -2.413
    3    HA3  GLY   7           HXT      GLY   7   5.631  -1.360  -3.980

  No H/Q in entry =           3
  In of MODEL   24
    1    HB2  PRO   8           HG2      PRO   8   0.416  -1.895  -2.977
    2    HB3  PRO   8           HG3      PRO   8   0.132  -2.148  -4.702
    3    HG2  PRO   8           HD2      PRO   8   1.657  -3.833  -3.311
    4    HD2  PRO   8           HD3      PRO   8   3.270  -2.449  -2.402
    5    HG3  PRO   8           HD3      PRO   8   2.074  -3.385  -4.976
    6    HD3  PRO   8           HXT      PRO   8   4.059  -2.789  -3.957
    7    HA   PRO   8           HB1      PRO   8   1.545  -0.448  -5.316

  No H/Q in entry =           7
  In of MODEL   24
    1    H    CYS   9           H        CYS   9   2.335   0.194  -1.980
    2    HA   CYS   9           HB1      CYS   9   0.081   2.040  -1.714
    3    HB2  CYS   9           HG2      CYS   9   0.627   0.412   0.119
    4    HB3  CYS   9           HG3      CYS   9   2.134   1.286   0.372

  No H/Q in entry =           4
  In of MODEL   24
    1    H    CYS  10           H        CYS  10   2.321   2.612  -3.499
    2    HA   CYS  10           HB1      CYS  10   2.705   5.319  -2.929
    3    HB2  CYS  10           HG2      CYS  10   5.108   5.358  -2.377
    4    HB3  CYS  10           HG3      CYS  10   4.161   4.566  -1.122

  No H/Q in entry =           4
  In of MODEL   24
    1    H    ARG  11           H        ARG  11   3.062   6.258  -4.822
    2    HB2  ARG  11           HG2      ARG  11   2.728   7.384  -6.650
    3    HB3  ARG  11           HG3      ARG  11   3.664   7.141  -8.119
    4    HG2  ARG  11           HD2      ARG  11   2.171   5.380  -8.826
    5    HD2  ARG  11           HD3      ARG  11   1.570   7.997  -8.860
    6    HG3  ARG  11           HD3      ARG  11   1.271   5.501  -7.313
    7    HE   ARG  11          HH12      ARG  11  -0.047   7.278  -6.821
    8   HH11  ARG  11          HH21      ARG  11  -0.666   8.245 -10.117
    9   HH12  ARG  11          HH22      ARG  11  -2.203   8.954  -9.752
   10    HD3  ARG  11           HXT      ARG  11   0.551   6.753  -9.583
   11   HH21  ARG  11           HXT      ARG  11  -2.069   8.209  -6.339
   12   HH22  ARG  11           H1       ARG  11  -3.000   8.934  -7.607
   13    HA   ARG  11           HB1      ARG  11   3.785   4.651  -7.104

  No H/Q in entry =          13
  In of MODEL   24
    1    H    GLN  12           H        GLN  12   4.984   7.892  -6.284
    2    HB2  GLN  12           HG2      GLN  12   6.279   9.567  -7.424
    3    HB3  GLN  12           HG3      GLN  12   8.034   9.529  -7.323
    4   HE21  GLN  12          HE22      GLN  12   9.024   9.580 -10.447
    5   HE22  GLN  12           HXT      GLN  12  10.233   8.346 -10.422
    6    HA   GLN  12           HB1      GLN  12   7.691   6.962  -6.977
    7    HG2  GLN  12           HD2      GLN  12   6.466   7.804  -9.217
    8    HG3  GLN  12           HD3      GLN  12   7.053   9.414  -9.634

  No H/Q in entry =           8
  In of MODEL   24
    1    H    CYS  13           H        CYS  13   5.730   8.367  -4.523
    2    HA   CYS  13           HB1      CYS  13   7.658   8.058  -2.519
    3    HB2  CYS  13           HG2      CYS  13   8.374  10.204  -3.947
    4    HB3  CYS  13           HG3      CYS  13   7.221  10.980  -2.867

  No H/Q in entry =           4
  In of MODEL   24
    1    H    LYS  14           H        LYS  14   4.810   9.817  -3.614
    2    HB2  LYS  14           HG2      LYS  14   3.313  11.700  -2.958
    3    HB3  LYS  14           HG3      LYS  14   2.260  10.426  -3.558
    4    HG2  LYS  14           HG3      LYS  14   1.192  10.661  -1.155
    5    HG3  LYS  14           HD2      LYS  14   1.888  12.278  -1.271
    6    HD2  LYS  14           HD3      LYS  14   0.742  12.142  -3.680
    7    HE2  LYS  14           HE3      LYS  14  -1.109  12.689  -1.411
    8    HE3  LYS  14           HZ1      LYS  14   0.349  13.668  -1.575
    9    HZ1  LYS  14           HZ2      LYS  14  -0.531  13.794  -4.050
   10    HZ2  LYS  14           HZ3      LYS  14  -2.018  13.558  -3.278
   11    HD3  LYS  14           HXT      LYS  14  -0.325  11.041  -2.806
   12    HZ3  LYS  14           HXT      LYS  14  -1.047  14.878  -2.859
   13    HA   LYS  14           HB1      LYS  14   3.781  10.215  -0.961

  No H/Q in entry =          13
  In of MODEL   24
    1    H    LEU  15           H        LEU  15   3.444   8.311   0.086
    2   HD11  LEU  15          HD12      LEU  15   0.687   6.736   2.554
    3   HD12  LEU  15          HD13      LEU  15   1.674   5.588   3.460
    4   HD13  LEU  15          HD21      LEU  15   1.628   7.284   3.942
    5   HD21  LEU  15          HD22      LEU  15   4.925   6.929   2.268
    6   HD22  LEU  15          HD23      LEU  15   4.134   7.336   3.791
    7   HD23  LEU  15           HXT      LEU  15   4.179   5.661   3.241
    8    HG   LEU  15           HXT      LEU  15   2.729   7.935   1.891
    9    HA   LEU  15           HB1      LEU  15   2.268   6.029  -1.151
   10    HB2  LEU  15           HG2      LEU  15   2.133   5.144   1.165
   11    HB3  LEU  15           HG3      LEU  15   3.734   5.692   0.706

  No H/Q in entry =          11
  In of MODEL   24
    1    H    LYS  16           H        LYS  16   0.206   5.156  -0.865
    2    HB2  LYS  16           HG2      LYS  16  -1.924   3.988  -0.250
    3    HB3  LYS  16           HG3      LYS  16  -3.367   4.913  -0.643
    4    HG2  LYS  16           HG3      LYS  16  -1.113   4.880  -2.585
    5    HG3  LYS  16           HD2      LYS  16  -2.154   3.462  -2.453
    6    HD2  LYS  16           HD3      LYS  16  -3.914   4.508  -3.402
    7    HE2  LYS  16           HE3      LYS  16  -1.940   4.967  -4.901
    8    HE3  LYS  16           HZ1      LYS  16  -3.335   6.024  -5.119
    9    HZ1  LYS  16           HZ2      LYS  16  -1.231   6.876  -3.269
   10    HZ2  LYS  16           HZ3      LYS  16  -0.917   6.981  -4.928
   11    HD3  LYS  16           HXT      LYS  16  -3.561   6.042  -2.604
   12    HZ3  LYS  16           HXT      LYS  16  -2.236   7.807  -4.262
   13    HA   LYS  16           HB1      LYS  16  -1.936   6.925  -0.966

  No H/Q in entry =          13
  In of MODEL   24
    1    HB2  PRO  17           HG2      PRO  17  -5.705   7.515   2.477
    2    HB3  PRO  17           HG3      PRO  17  -5.031   9.027   3.097
    3    HG2  PRO  17           HD2      PRO  17  -5.763   8.812   0.546
    4    HD2  PRO  17           HD3      PRO  17  -4.551   7.001  -0.213
    5    HG3  PRO  17           HD3      PRO  17  -4.307   9.716   1.004
    6    HD3  PRO  17           HXT      PRO  17  -3.328   8.258  -0.490
    7    HA   PRO  17           HB1      PRO  17  -2.884   8.203   3.143

  No H/Q in entry =           7
  In of MODEL   24
    1    H    ALA  18           H        ALA  18  -3.194   7.322   5.145
    2    HA   ALA  18           HB1      ALA  18  -3.022   4.550   5.467
    3    HB1  ALA  18           HB2      ALA  18  -2.368   6.426   7.093
    4    HB2  ALA  18           HB3      ALA  18  -4.049   6.364   7.624
    5    HB3  ALA  18           HXT      ALA  18  -3.024   4.935   7.769

  No H/Q in entry =           5
  In of MODEL   24
    1    H    GLY  19           H        GLY  19  -4.599   3.253   4.709
    2    HA2  GLY  19           HA3      GLY  19  -7.333   3.747   5.717
    3    HA3  GLY  19           HXT      GLY  19  -6.643   2.145   5.508

  No H/Q in entry =           3
  In of MODEL   24
    1    H    THR  20           H        THR  20  -5.396   2.864   2.940
    2    HG1  THR  20          HG21      THR  20  -7.104   5.449   1.497
    3   HG21  THR  20          HG22      THR  20  -7.850   3.838  -0.751
    4   HG22  THR  20          HG23      THR  20  -6.988   5.369  -0.906
    5   HG23  THR  20           HXT      THR  20  -6.301   3.896  -1.591
    6    HA   THR  20           HB1      THR  20  -7.834   2.933   1.285
    7    HB   THR  20          HG12      THR  20  -5.128   3.805   0.302

  No H/Q in entry =           7
  In of MODEL   24
    1    H    THR  21           H        THR  21  -7.845   1.629  -0.606
    2    HG1  THR  21          HG21      THR  21  -8.692   0.761  -3.284
    3   HG21  THR  21          HG22      THR  21  -8.872  -1.526  -0.453
    4   HG22  THR  21          HG23      THR  21  -9.811  -1.349  -1.936
    5   HG23  THR  21           HXT      THR  21  -8.489  -2.514  -1.863
    6    HA   THR  21           HB1      THR  21  -6.735  -0.934  -0.255
    7    HB   THR  21          HG12      THR  21  -7.404  -0.842  -2.924

  No H/Q in entry =           7
  In of MODEL   24
    1    H    CYS  22           H        CYS  22  -5.410  -2.059  -1.959
    2    HA   CYS  22           HB1      CYS  22  -3.548  -0.442  -3.448
    3    HB2  CYS  22           HG2      CYS  22  -1.550  -1.486  -2.281
    4    HB3  CYS  22           HG3      CYS  22  -2.412  -0.249  -1.373

  No H/Q in entry =           4
  In of MODEL   24
    1    H    TRP  23           H        TRP  23  -4.252  -3.662  -2.135
    2    HE1  TRP  23           HE3      TRP  23  -1.477  -8.736  -6.235
    3    HE3  TRP  23           HZ2      TRP  23  -3.467  -8.650  -1.273
    4    HZ2  TRP  23           HZ3      TRP  23  -1.656 -11.308  -5.084
    5    HZ3  TRP  23           HH2      TRP  23  -3.256 -11.098  -1.134
    6    HH2  TRP  23           HXT      TRP  23  -2.370 -12.398  -3.001
    7    HA   TRP  23           HB1      TRP  23  -3.347  -4.822  -4.686
    8    HB2  TRP  23           HG2      TRP  23  -2.221  -5.532  -2.499
    9    HB3  TRP  23           HG3      TRP  23  -3.732  -6.350  -2.116
   10    HD1  TRP  23           HD2      TRP  23  -2.006  -6.305  -5.575

  No H/Q in entry =          10
  In of MODEL   24
    1    H    LYS  24           H        LYS  24  -4.641  -6.331  -5.744
    2    HB2  LYS  24           HG2      LYS  24  -8.498  -6.056  -6.529
    3    HB3  LYS  24           HG3      LYS  24  -7.937  -5.006  -5.236
    4    HG2  LYS  24           HG3      LYS  24  -6.155  -5.241  -7.571
    5    HG3  LYS  24           HD2      LYS  24  -7.696  -4.424  -7.842
    6    HD2  LYS  24           HD3      LYS  24  -6.267  -3.627  -5.396
    7    HE2  LYS  24           HE3      LYS  24  -7.043  -1.474  -5.962
    8    HE3  LYS  24           HZ1      LYS  24  -7.291  -1.923  -7.649
    9    HZ1  LYS  24           HZ2      LYS  24  -8.806  -3.178  -5.435
   10    HZ2  LYS  24           HZ3      LYS  24  -9.339  -1.774  -6.214
   11    HD3  LYS  24           HXT      LYS  24  -5.459  -3.208  -6.908
   12    HZ3  LYS  24           HXT      LYS  24  -9.156  -3.211  -7.090
   13    HA   LYS  24           HB1      LYS  24  -7.162  -7.178  -4.692

  No H/Q in entry =          13
  In of MODEL   24
    1    H    THR  25           H        THR  25  -6.907  -9.239  -5.304
    2    HG1  THR  25          HG21      THR  25  -6.297 -11.042  -4.693
    3   HG21  THR  25          HG22      THR  25  -3.931 -10.239  -7.032
    4   HG22  THR  25          HG23      THR  25  -4.299 -10.299  -5.309
    5   HG23  THR  25           HXT      THR  25  -3.684 -11.734  -6.130
    6    HA   THR  25           HB1      THR  25  -6.065  -9.805  -8.058
    7    HB   THR  25          HG12      THR  25  -5.674 -12.114  -7.241

  No H/Q in entry =           7
  In of MODEL   24
    1    H    SER  26           H        SER  26  -8.254  -9.118  -8.737
    2    HG   SER  26           HXT      SER  26  -8.875 -12.740 -10.606
    3    HA   SER  26           HB1      SER  26 -10.192  -9.759  -9.761
    4    HB2  SER  26           HG2      SER  26 -10.228 -12.427  -8.409
    5    HB3  SER  26           HG3      SER  26 -10.750 -11.990 -10.035

  No H/Q in entry =           5
  In of MODEL   24
    1    H    VAL  27           H        VAL  27 -10.040 -11.196  -6.519
    2    HB   VAL  27          HG12      VAL  27 -13.143 -11.937  -6.254
    3   HG11  VAL  27          HG12      VAL  27 -10.915 -12.951  -5.633
    4   HG12  VAL  27          HG13      VAL  27 -11.416 -12.805  -3.949
    5   HG13  VAL  27          HG21      VAL  27 -12.342 -13.815  -5.059
    6   HG21  VAL  27          HG22      VAL  27 -13.926 -10.410  -4.230
    7   HG22  VAL  27          HG23      VAL  27 -14.571 -12.032  -4.481
    8   HG23  VAL  27           HXT      VAL  27 -13.294 -11.764  -3.295
    9    HA   VAL  27           HB1      VAL  27 -12.420  -9.635  -5.801

  No H/Q in entry =           9
  In of MODEL   24
    1    H    SER  28           H        SER  28  -9.695 -11.552  -4.613
    2    HG   SER  28           HXT      SER  28  -8.836 -12.596  -0.881
    3    HA   SER  28           HB1      SER  28  -9.846 -10.570  -1.944
    4    HB2  SER  28           HG2      SER  28  -7.903 -12.202  -3.515
    5    HB3  SER  28           HG3      SER  28  -7.339 -11.456  -2.020

  No H/Q in entry =           5
  In of MODEL   24
    1    H    SER  29           H        SER  29  -9.402  -8.567  -1.333
    2    HG   SER  29           HXT      SER  29  -8.403  -4.201  -3.092
    3    HA   SER  29           HB1      SER  29  -7.130  -7.180  -2.577
    4    HB2  SER  29           HG2      SER  29  -8.972  -6.141  -3.642
    5    HB3  SER  29           HG3      SER  29  -9.916  -6.108  -2.153

  No H/Q in entry =           5
  In of MODEL   24
    1    H    HIS  30           H        HIS  30  -5.941  -5.857  -1.228
    2    HD1  HIS  30           HD2      HIS  30  -2.344  -7.884   1.016
    3    HD2  HIS  30           HE1      HIS  30  -6.460  -8.434   1.133
    4    HE1  HIS  30           HE2      HIS  30  -2.689 -10.375   1.009
    5    HE2  HIS  30           HXT      HIS  30  -5.185 -10.683   1.171
    6    HA   HIS  30           HB1      HIS  30  -6.613  -6.059   1.633
    7    HB2  HIS  30           HG2      HIS  30  -3.909  -5.758   0.309
    8    HB3  HIS  30           HG3      HIS  30  -4.184  -5.791   2.048

  No H/Q in entry =           8
  In of MODEL   24
    1    H    TYR  31           H        TYR  31  -5.382  -4.227   2.901
    2    HD1  TYR  31           HD2      TYR  31  -8.196  -3.777   2.155
    3    HD2  TYR  31           HE1      TYR  31  -8.361   0.390   2.994
    4    HE1  TYR  31           HE2      TYR  31 -10.369  -3.639   1.012
    5    HE2  TYR  31           HH       TYR  31 -10.535   0.540   1.855
    6    HH   TYR  31           HXT      TYR  31 -11.686  -1.040  -0.129
    7    HA   TYR  31           HB1      TYR  31  -5.760  -1.675   1.486
    8    HB2  TYR  31           HG2      TYR  31  -6.876  -2.530   4.142
    9    HB3  TYR  31           HG3      TYR  31  -6.581  -0.828   3.799

  No H/Q in entry =           9
  In of MODEL   24
    1    H    CYS  32           H        CYS  32  -4.576   0.122   2.379
    2    HA   CYS  32           HB1      CYS  32  -2.071  -0.750   3.626
    3    HB2  CYS  32           HG2      CYS  32  -2.142   0.549   1.415
    4    HB3  CYS  32           HG3      CYS  32  -2.588   1.948   2.387

  No H/Q in entry =           4
  In of MODEL   24
    1    H    THR  33           H        THR  33  -1.272   0.177   5.486
    2    HG1  THR  33          HG21      THR  33  -1.437   1.820   9.425
    3   HG21  THR  33          HG22      THR  33   0.101   0.437   7.216
    4   HG22  THR  33          HG23      THR  33   0.079   0.202   8.964
    5   HG23  THR  33           HXT      THR  33  -0.410  -1.110   7.892
    6    HA   THR  33           HB1      THR  33  -3.224   1.719   7.046
    7    HB   THR  33          HG12      THR  33  -2.496  -0.408   8.030

  No H/Q in entry =           7
  In of MODEL   24
    1    H    GLY  34           H        GLY  34  -1.212   2.734   5.004
    2    HA2  GLY  34           HA3      GLY  34  -0.629   5.187   6.123
    3    HA3  GLY  34           HXT      GLY  34   0.243   4.496   4.764

  No H/Q in entry =           3
  In of MODEL   24
    1    H    ARG  35           H        ARG  35   1.129   2.204   6.472
    2    HB2  ARG  35           HG2      ARG  35   1.950   0.762   8.031
    3    HB3  ARG  35           HG3      ARG  35   3.521   1.011   8.781
    4    HG2  ARG  35           HD2      ARG  35   2.374   2.639  10.338
    5    HD2  ARG  35           HD3      ARG  35   1.047   0.039  10.767
    6    HG3  ARG  35           HD3      ARG  35   0.848   2.023   9.700
    7    HE   ARG  35          HH12      ARG  35   3.005   0.954  12.641
    8   HH11  ARG  35          HH21      ARG  35  -0.263   1.427  11.512
    9   HH12  ARG  35          HH22      ARG  35  -0.819   2.090  13.012
   10    HD3  ARG  35           HXT      ARG  35   2.800  -0.007  10.578
   11   HH21  ARG  35           HXT      ARG  35   2.276   1.826  14.615
   12   HH22  ARG  35           H1       ARG  35   0.623   2.317  14.774
   13    HA   ARG  35           HB1      ARG  35   2.958   3.557   8.315

  No H/Q in entry =          13
  In of MODEL   24
    1    H    SER  36           H        SER  36   2.907   1.637   5.387
    2    HG   SER  36           HXT      SER  36   7.619   1.177   5.482
    3    HA   SER  36           HB1      SER  36   5.503   2.543   4.632
    4    HB2  SER  36           HG2      SER  36   5.197  -0.166   5.823
    5    HB3  SER  36           HG3      SER  36   6.219  -0.028   4.393

  No H/Q in entry =           5
  In of MODEL   24
    1    H    CYS  37           H        CYS  37   6.231   1.316   2.571
    2    HA   CYS  37           HB1      CYS  37   4.084   1.479   0.707
    3    HB2  CYS  37           HG2      CYS  37   6.986   0.720   0.491
    4    HB3  CYS  37           HG3      CYS  37   5.902   0.565  -0.887

  No H/Q in entry =           4
  In of MODEL   24
    1    H    GLU  38           H        GLU  38   5.693  -1.124   2.378
    2    HB2  GLU  38           HG2      GLU  38   6.681  -3.117   2.494
    3    HB3  GLU  38           HG3      GLU  38   5.434  -3.805   3.526
    4    HA   GLU  38           HB1      GLU  38   4.662  -3.218   0.722
    5    HG2  GLU  38           HD2      GLU  38   5.942  -4.987   0.836
    6    HG3  GLU  38           HD3      GLU  38   7.025  -5.354   2.178

  No H/Q in entry =           6
  In of MODEL   24
    1    H    CYS  39           H        CYS  39   2.450  -3.063   0.582
    2    HA   CYS  39           HB1      CYS  39   0.695  -2.589   2.715
    3    HB2  CYS  39           HG2      CYS  39   0.496  -3.309  -0.073
    4    HB3  CYS  39           HG3      CYS  39  -0.673  -4.222   0.874

  No H/Q in entry =           4
  In of MODEL   24
    1    HB2  PRO  40           HG2      PRO  40  -2.071  -6.501   5.674
    2    HB3  PRO  40           HG3      PRO  40  -0.913  -5.381   6.401
    3    HG2  PRO  40           HD2      PRO  40  -2.935  -4.883   4.250
    4    HD2  PRO  40           HD3      PRO  40  -1.581  -3.365   3.164
    5    HG3  PRO  40           HD3      PRO  40  -2.518  -3.875   5.648
    6    HD3  PRO  40           HXT      PRO  40  -0.638  -3.014   4.626
    7    HA   PRO  40           HB1      PRO  40   0.542  -6.389   4.938

  No H/Q in entry =           7
  In of MODEL   24
    1    H    SER  41           H        SER  41   0.188  -8.539   4.610
    2    HG   SER  41           HXT      SER  41   1.578 -11.001   4.311
    3    HA   SER  41           HB1      SER  41  -1.239  -9.263   2.158
    4    HB2  SER  41           HG2      SER  41   0.049 -11.276   2.139
    5    HB3  SER  41           HG3      SER  41   1.165  -9.971   2.541

  No H/Q in entry =           5
  In of MODEL   24
    1    H    TYR  42           H        TYR  42  -2.747  -8.608   4.494
    2    HD1  TYR  42           HD2      TYR  42  -1.139  -9.215   6.649
    3    HD2  TYR  42           HE1      TYR  42  -5.012  -8.834   8.369
    4    HE1  TYR  42           HE2      TYR  42  -0.408  -7.188   7.833
    5    HE2  TYR  42           HH       TYR  42  -4.292  -6.805   9.557
    6    HH   TYR  42           HXT      TYR  42  -2.135  -4.964   8.915
    7    HA   TYR  42           HB1      TYR  42  -4.219 -11.107   4.776
    8    HB2  TYR  42           HG2      TYR  42  -4.419 -10.824   7.227
    9    HB3  TYR  42           HG3      TYR  42  -2.760 -11.124   6.721

  No H/Q in entry =           9
  In of MODEL   24
    1    HB2  PRO  43           HG2      PRO  43  -8.809  -9.900   6.985
    2    HB3  PRO  43           HG3      PRO  43  -9.626  -9.881   5.418
    3    HG2  PRO  43           HD2      PRO  43  -8.482 -12.107   6.321
    4    HD2  PRO  43           HD3      PRO  43  -6.299 -11.479   6.721
    5    HG3  PRO  43           HD3      PRO  43  -8.394 -11.671   4.604
    6    HD3  PRO  43           HXT      PRO  43  -6.133 -11.872   4.998
    7    HA   PRO  43           HB1      PRO  43  -7.906  -8.749   4.387

  No H/Q in entry =           7
  In of MODEL   24
    1    H    GLY  44           H        GLY  44  -8.194  -6.649   4.776
    2    HA2  GLY  44           HA3      GLY  44  -8.004  -5.659   7.527
    3    HA3  GLY  44           HXT      GLY  44  -8.738  -4.813   6.174

  No H/Q in entry =           3
  In of MODEL   25
    1    H1   ALA   1           H1       ALA   1  15.979   1.349   4.614
    2    H2   ALA   1           H2       ALA   1  16.989   1.191   3.235
    3    H3   ALA   1           H3       ALA   1  16.619   2.747   3.857
    4    HA   ALA   1           HB1      ALA   1  15.322   2.466   1.981
    5    HB1  ALA   1           HB2      ALA   1  13.724   0.467   1.916
    6    HB2  ALA   1           HB3      ALA   1  14.784  -0.253   3.128
    7    HB3  ALA   1           HXT      ALA   1  15.422   0.174   1.540

  No H/Q in entry =           7
  In of MODEL   25
    1    H    MET   2           H        MET   2  14.369   4.274   2.887
    2    HB2  MET   2           HG2      MET   2  13.805   4.191   5.852
    3    HB3  MET   2           HG3      MET   2  13.395   5.868   5.517
    4    HE1  MET   2           HE2      MET   2   9.678   4.055   5.271
    5    HE2  MET   2           HE3      MET   2  10.081   2.406   4.794
    6    HE3  MET   2           HXT      MET   2   9.004   2.690   6.161
    7    HA   MET   2           HB1      MET   2  11.786   3.808   4.116
    8    HG2  MET   2           HD2      MET   2  12.197   5.155   7.454
    9    HG3  MET   2           HD3      MET   2  11.052   5.371   6.131

  No H/Q in entry =           9
  In of MODEL   25
    1    H    ASP   3           H        ASP   3  14.173   6.248   3.134
    2    HA   ASP   3           HB1      ASP   3  12.386   8.367   2.744
    3    HB2  ASP   3           HG2      ASP   3  15.066   7.734   1.514
    4    HB3  ASP   3           HG3      ASP   3  14.187   9.214   1.142

  No H/Q in entry =           4
  In of MODEL   25
    1    H    CYS   4           H        CYS   4  10.531   7.602   1.707
    2    HA   CYS   4           HB1      CYS   4   9.156   7.194  -0.058
    3    HB2  CYS   4           HG2      CYS   4  11.532   8.439  -1.395
    4    HB3  CYS   4           HG3      CYS   4  10.227   7.781  -2.376

  No H/Q in entry =           4
  In of MODEL   25
    1    H    THR   5           H        THR   5   8.652   5.140  -0.405
    2    HG1  THR   5          HG21      THR   5   8.617   3.592   1.298
    3   HG21  THR   5          HG22      THR   5  11.153   1.513  -0.548
    4   HG22  THR   5          HG23      THR   5  10.243   0.869   0.819
    5   HG23  THR   5           HXT      THR   5   9.725   0.516  -0.830
    6    HA   THR   5           HB1      THR   5  10.698   3.359  -1.552
    7    HB   THR   5          HG12      THR   5   8.275   2.188  -0.313

  No H/Q in entry =           7
  In of MODEL   25
    1    H    THR   6           H        THR   6   9.831   1.606  -2.955
    2    HG1  THR   6          HG21      THR   6  10.608  -0.036  -5.481
    3   HG21  THR   6          HG22      THR   6   9.166   3.435  -6.189
    4   HG22  THR   6          HG23      THR   6  10.786   2.741  -6.256
    5   HG23  THR   6           HXT      THR   6   9.584   2.293  -7.466
    6    HA   THR   6           HB1      THR   6   7.797   2.719  -4.750
    7    HB   THR   6          HG12      THR   6   8.776   0.686  -6.181

  No H/Q in entry =           7
  In of MODEL   25
    1    H    GLY   7           H        GLY   7   5.822   1.879  -4.786
    2    HA2  GLY   7           HA3      GLY   7   5.016  -0.244  -3.134
    3    HA3  GLY   7           HXT      GLY   7   5.239  -0.869  -4.761

  No H/Q in entry =           3
  In of MODEL   25
    1    HB2  PRO   8           HG2      PRO   8   0.040  -1.288  -3.818
    2    HB3  PRO   8           HG3      PRO   8  -0.296  -1.373  -5.551
    3    HG2  PRO   8           HD2      PRO   8   1.181  -3.242  -4.364
    4    HD2  PRO   8           HD3      PRO   8   2.881  -2.038  -3.370
    5    HG3  PRO   8           HD3      PRO   8   1.587  -2.656  -5.988
    6    HD3  PRO   8           HXT      PRO   8   3.614  -2.232  -4.975
    7    HA   PRO   8           HB1      PRO   8   1.206   0.294  -6.059

  No H/Q in entry =           7
  In of MODEL   25
    1    H    CYS   9           H        CYS   9   2.007   0.643  -2.682
    2    HA   CYS   9           HB1      CYS   9  -0.158   2.567  -2.277
    3    HB2  CYS   9           HG2      CYS   9   0.307   0.782  -0.572
    4    HB3  CYS   9           HG3      CYS   9   1.852   1.562  -0.257

  No H/Q in entry =           4
  In of MODEL   25
    1    H    CYS  10           H        CYS  10   2.143   3.142  -4.006
    2    HA   CYS  10           HB1      CYS  10   2.762   5.743  -2.968
    3    HB2  CYS  10           HG2      CYS  10   4.795   3.561  -2.925
    4    HB3  CYS  10           HG3      CYS  10   5.325   5.173  -3.388

  No H/Q in entry =           4
  In of MODEL   25
    1    H    ARG  11           H        ARG  11   2.641   7.047  -4.665
    2    HB2  ARG  11           HG2      ARG  11   1.276   7.987  -6.724
    3    HB3  ARG  11           HG3      ARG  11   2.708   8.890  -6.252
    4    HG2  ARG  11           HD2      ARG  11   3.319   9.321  -8.414
    5    HD2  ARG  11           HD3      ARG  11   0.369   9.174  -8.169
    6    HG3  ARG  11           HD3      ARG  11   2.523   7.876  -9.042
    7    HE   ARG  11          HH12      ARG  11   1.029  10.282 -10.678
    8   HH11  ARG  11          HH21      ARG  11   0.559   7.202  -9.106
    9   HH12  ARG  11          HH22      ARG  11   0.071   6.394 -10.558
   10    HD3  ARG  11           HXT      ARG  11   1.413  10.565  -8.457
   11   HH21  ARG  11           HXT      ARG  11   0.388   9.221 -12.589
   12   HH22  ARG  11           H1       ARG  11  -0.025   7.540 -12.536
   13    HA   ARG  11           HB1      ARG  11   2.622   6.067  -7.331

  No H/Q in entry =          13
  In of MODEL   25
    1    H    GLN  12           H        GLN  12   4.641   8.795  -6.299
    2    HB2  GLN  12           HG2      GLN  12   5.798  10.170  -8.063
    3    HB3  GLN  12           HG3      GLN  12   7.548  10.010  -8.099
    4   HE21  GLN  12          HE22      GLN  12   8.886   9.138 -10.518
    5   HE22  GLN  12           HXT      GLN  12   8.735  10.465 -11.614
    6    HA   GLN  12           HB1      GLN  12   6.949   7.473  -7.559
    7    HG2  GLN  12           HD2      GLN  12   7.116   8.045  -9.704
    8    HG3  GLN  12           HD3      GLN  12   5.505   8.741  -9.874

  No H/Q in entry =           8
  In of MODEL   25
    1    H    CYS  13           H        CYS  13   5.740   8.728  -4.746
    2    HA   CYS  13           HB1      CYS  13   8.117   8.522  -3.318
    3    HB2  CYS  13           HG2      CYS  13   8.203  10.832  -4.776
    4    HB3  CYS  13           HG3      CYS  13   7.514  11.406  -3.262

  No H/Q in entry =           4
  In of MODEL   25
    1    H    LYS  14           H        LYS  14   5.013  10.170  -3.577
    2    HB2  LYS  14           HG2      LYS  14   2.900  10.824  -3.158
    3    HB3  LYS  14           HG3      LYS  14   2.188  10.810  -1.551
    4    HG2  LYS  14           HG3      LYS  14   4.047  12.566  -1.026
    5    HG3  LYS  14           HD2      LYS  14   4.059  12.777  -2.778
    6    HD2  LYS  14           HD3      LYS  14   1.451  12.922  -2.442
    7    HE2  LYS  14           HE3      LYS  14   2.777  15.368  -1.455
    8    HE3  LYS  14           HZ1      LYS  14   3.358  14.731  -2.992
    9    HZ1  LYS  14           HZ2      LYS  14   0.503  15.286  -2.400
   10    HZ2  LYS  14           HZ3      LYS  14   1.531  16.365  -3.203
   11    HD3  LYS  14           HXT      LYS  14   1.911  13.379  -0.801
   12    HZ3  LYS  14           HXT      LYS  14   1.169  14.865  -3.897
   13    HA   LYS  14           HB1      LYS  14   4.643  10.426  -0.751

  No H/Q in entry =          13
  In of MODEL   25
    1    H    LEU  15           H        LEU  15   2.643   9.466   0.296
    2   HD11  LEU  15          HD12      LEU  15   3.817   5.937   3.527
    3   HD12  LEU  15          HD13      LEU  15   3.059   4.347   3.614
    4   HD13  LEU  15          HD21      LEU  15   4.324   4.657   2.425
    5   HD21  LEU  15          HD22      LEU  15   0.770   6.077   3.179
    6   HD22  LEU  15          HD23      LEU  15   0.328   5.267   1.676
    7   HD23  LEU  15           HXT      LEU  15   1.012   4.338   3.010
    8    HG   LEU  15           HXT      LEU  15   2.554   4.941   1.052
    9    HA   LEU  15           HB1      LEU  15   2.371   6.639  -0.493
   10    HB2  LEU  15           HG2      LEU  15   3.669   7.247   1.665
   11    HB3  LEU  15           HG3      LEU  15   2.088   7.599   2.335

  No H/Q in entry =          11
  In of MODEL   25
    1    H    LYS  16           H        LYS  16   0.353   5.769  -0.553
    2    HB2  LYS  16           HG2      LYS  16  -1.879   4.495  -0.198
    3    HB3  LYS  16           HG3      LYS  16  -3.196   5.397  -0.935
    4    HG2  LYS  16           HG3      LYS  16  -0.542   5.320  -2.288
    5    HG3  LYS  16           HD2      LYS  16  -1.618   3.926  -2.396
    6    HD2  LYS  16           HD3      LYS  16  -3.088   5.001  -3.733
    7    HE2  LYS  16           HE3      LYS  16  -0.931   7.051  -4.130
    8    HE3  LYS  16           HZ1      LYS  16  -0.746   5.387  -4.684
    9    HZ1  LYS  16           HZ2      LYS  16  -3.212   6.730  -5.443
   10    HZ2  LYS  16           HZ3      LYS  16  -1.800   7.306  -6.175
   11    HD3  LYS  16           HXT      LYS  16  -2.871   6.544  -2.905
   12    HZ3  LYS  16           HXT      LYS  16  -2.232   5.678  -6.335
   13    HA   LYS  16           HB1      LYS  16  -1.861   7.438  -0.891

  No H/Q in entry =          13
  In of MODEL   25
    1    HB2  PRO  17           HG2      PRO  17  -6.054   7.568   2.100
    2    HB3  PRO  17           HG3      PRO  17  -5.600   9.116   2.823
    3    HG2  PRO  17           HD2      PRO  17  -6.016   8.913   0.201
    4    HD2  PRO  17           HD3      PRO  17  -4.560   7.247  -0.453
    5    HG3  PRO  17           HD3      PRO  17  -4.713   9.932   0.841
    6    HD3  PRO  17           HXT      PRO  17  -3.437   8.617  -0.557
    7    HA   PRO  17           HB1      PRO  17  -3.402   8.493   3.095

  No H/Q in entry =           7
  In of MODEL   25
    1    H    ALA  18           H        ALA  18  -3.778   7.516   5.031
    2    HA   ALA  18           HB1      ALA  18  -3.463   4.734   5.264
    3    HB1  ALA  18           HB2      ALA  18  -4.038   6.964   7.126
    4    HB2  ALA  18           HB3      ALA  18  -2.764   5.745   7.173
    5    HB3  ALA  18           HXT      ALA  18  -4.400   5.331   7.686

  No H/Q in entry =           5
  In of MODEL   25
    1    H    GLY  19           H        GLY  19  -4.935   3.356   4.467
    2    HA2  GLY  19           HA3      GLY  19  -7.741   3.740   5.314
    3    HA3  GLY  19           HXT      GLY  19  -6.976   2.168   5.143

  No H/Q in entry =           3
  In of MODEL   25
    1    H    THR  20           H        THR  20  -5.617   2.995   2.644
    2    HG1  THR  20          HG21      THR  20  -7.457   5.373   1.040
    3   HG21  THR  20          HG22      THR  20  -6.691   3.227  -1.706
    4   HG22  THR  20          HG23      THR  20  -7.727   4.582  -1.259
    5   HG23  THR  20           HXT      THR  20  -6.068   4.875  -1.782
    6    HA   THR  20           HB1      THR  20  -7.961   2.997   0.856
    7    HB   THR  20          HG12      THR  20  -5.173   3.947   0.178

  No H/Q in entry =           7
  In of MODEL   25
    1    H    THR  21           H        THR  21  -7.867   1.680  -1.023
    2    HG1  THR  21          HG21      THR  21  -9.390   0.426  -1.344
    3   HG21  THR  21          HG22      THR  21  -8.476  -1.925  -0.595
    4   HG22  THR  21          HG23      THR  21  -9.575  -1.969  -1.974
    5   HG23  THR  21           HXT      THR  21  -7.990  -2.733  -2.085
    6    HA   THR  21           HB1      THR  21  -6.557  -0.831  -0.574
    7    HB   THR  21          HG12      THR  21  -7.614  -0.771  -3.197

  No H/Q in entry =           7
  In of MODEL   25
    1    H    CYS  22           H        CYS  22  -4.690  -1.546  -1.382
    2    HA   CYS  22           HB1      CYS  22  -3.402   0.044  -3.503
    3    HB2  CYS  22           HG2      CYS  22  -1.241  -0.499  -2.500
    4    HB3  CYS  22           HG3      CYS  22  -2.275   0.319  -1.334

  No H/Q in entry =           4
  In of MODEL   25
    1    H    TRP  23           H        TRP  23  -3.805  -3.176  -2.101
    2    HE1  TRP  23           HE3      TRP  23  -0.383  -8.000  -5.811
    3    HE3  TRP  23           HZ2      TRP  23  -2.778  -8.164  -1.034
    4    HZ2  TRP  23           HZ3      TRP  23  -0.201 -10.536  -4.584
    5    HZ3  TRP  23           HH2      TRP  23  -2.148 -10.530  -0.787
    6    HH2  TRP  23           HXT      TRP  23  -0.887 -11.690  -2.526
    7    HA   TRP  23           HB1      TRP  23  -2.695  -4.370  -4.538
    8    HB2  TRP  23           HG2      TRP  23  -2.038  -5.038  -2.090
    9    HB3  TRP  23           HG3      TRP  23  -3.533  -5.967  -2.144
   10    HD1  TRP  23           HD2      TRP  23  -1.390  -5.690  -5.287

  No H/Q in entry =          10
  In of MODEL   25
    1    H    LYS  24           H        LYS  24  -3.825  -6.362  -5.340
    2    HB2  LYS  24           HG2      LYS  24  -6.889  -4.646  -5.743
    3    HB3  LYS  24           HG3      LYS  24  -6.056  -5.132  -7.214
    4    HG2  LYS  24           HG3      LYS  24  -8.142  -5.513  -7.949
    5    HG3  LYS  24           HD2      LYS  24  -7.945  -7.044  -7.093
    6    HD2  LYS  24           HD3      LYS  24  -9.905  -6.402  -6.147
    7    HE2  LYS  24           HE3      LYS  24 -10.164  -4.394  -7.513
    8    HE3  LYS  24           HZ1      LYS  24 -10.643  -4.102  -5.841
    9    HZ1  LYS  24           HZ2      LYS  24  -8.406  -3.135  -5.481
   10    HZ2  LYS  24           HZ3      LYS  24  -8.104  -3.279  -7.138
   11    HD3  LYS  24           HXT      LYS  24  -8.815  -5.531  -5.066
   12    HZ3  LYS  24           HXT      LYS  24  -9.344  -2.268  -6.590
   13    HA   LYS  24           HB1      LYS  24  -6.528  -6.881  -4.793

  No H/Q in entry =          13
  In of MODEL   25
    1    H    THR  25           H        THR  25  -5.892  -9.002  -4.997
    2    HG1  THR  25          HG21      THR  25  -2.861  -9.924  -5.980
    3   HG21  THR  25          HG22      THR  25  -3.998 -11.922  -7.818
    4   HG22  THR  25          HG23      THR  25  -2.725 -12.109  -6.611
    5   HG23  THR  25           HXT      THR  25  -4.184 -13.096  -6.515
    6    HA   THR  25           HB1      THR  25  -4.925  -9.872  -7.631
    7    HB   THR  25          HG12      THR  25  -5.012 -11.570  -5.145

  No H/Q in entry =           7
  In of MODEL   25
    1    H    SER  26           H        SER  26  -7.322  -9.367  -8.141
    2    HG   SER  26           HXT      SER  26  -9.484 -13.560  -9.871
    3    HA   SER  26           HB1      SER  26  -9.207 -10.287  -9.043
    4    HB2  SER  26           HG2      SER  26  -7.731 -12.429  -9.125
    5    HB3  SER  26           HG3      SER  26  -8.671 -12.928  -7.718

  No H/Q in entry =           5
  In of MODEL   25
    1    H    VAL  27           H        VAL  27  -8.626 -11.700  -5.840
    2    HB   VAL  27          HG12      VAL  27 -11.311 -13.103  -5.204
    3   HG11  VAL  27          HG12      VAL  27  -8.864 -13.403  -4.687
    4   HG12  VAL  27          HG13      VAL  27  -9.280 -13.196  -2.985
    5   HG13  VAL  27          HG21      VAL  27  -9.953 -14.545  -3.900
    6   HG21  VAL  27          HG22      VAL  27 -11.759 -11.641  -2.698
    7   HG22  VAL  27          HG23      VAL  27 -12.853 -12.663  -3.629
    8   HG23  VAL  27           HXT      VAL  27 -11.685 -13.395  -2.529
    9    HA   VAL  27           HB1      VAL  27 -11.247 -10.652  -5.004

  No H/Q in entry =           9
  In of MODEL   25
    1    H    SER  28           H        SER  28  -7.984 -11.528  -3.986
    2    HG   SER  28           HXT      SER  28  -5.680 -11.799  -0.293
    3    HA   SER  28           HB1      SER  28  -8.251 -10.355  -1.385
    4    HB2  SER  28           HG2      SER  28  -6.642 -12.238  -2.104
    5    HB3  SER  28           HG3      SER  28  -5.629 -10.945  -2.747

  No H/Q in entry =           5
  In of MODEL   25
    1    H    SER  29           H        SER  29  -8.512  -8.227  -1.189
    2    HG   SER  29           HXT      SER  29 -10.540  -6.478  -3.099
    3    HA   SER  29           HB1      SER  29  -6.763  -6.464  -2.777
    4    HB2  SER  29           HG2      SER  29  -9.347  -5.430  -1.701
    5    HB3  SER  29           HG3      SER  29  -8.479  -4.980  -3.169

  No H/Q in entry =           5
  In of MODEL   25
    1    H    HIS  30           H        HIS  30  -5.229  -6.665  -1.023
    2    HD1  HIS  30           HD2      HIS  30  -1.970  -7.470   2.584
    3    HD2  HIS  30           HE1      HIS  30  -5.191  -8.557   0.195
    4    HE1  HIS  30           HE2      HIS  30  -2.170  -9.966   2.821
    5    HE2  HIS  30           HXT      HIS  30  -4.072 -10.611   1.299
    6    HA   HIS  30           HB1      HIS  30  -5.773  -5.950   1.634
    7    HB2  HIS  30           HG2      HIS  30  -3.227  -5.875   0.015
    8    HB3  HIS  30           HG3      HIS  30  -3.275  -5.485   1.731

  No H/Q in entry =           8
  In of MODEL   25
    1    H    TYR  31           H        TYR  31  -5.300  -4.025   2.791
    2    HD1  TYR  31           HD2      TYR  31  -7.858  -3.899   2.347
    3    HD2  TYR  31           HE1      TYR  31  -8.222   0.333   2.117
    4    HE1  TYR  31           HE2      TYR  31 -10.037  -4.153   1.235
    5    HE2  TYR  31           HH       TYR  31 -10.402   0.091   1.006
    6    HH   TYR  31           HXT      TYR  31 -12.212  -2.533   1.056
    7    HA   TYR  31           HB1      TYR  31  -5.494  -1.600   1.131
    8    HB2  TYR  31           HG2      TYR  31  -6.556  -2.228   3.882
    9    HB3  TYR  31           HG3      TYR  31  -6.435  -0.578   3.281

  No H/Q in entry =           9
  In of MODEL   25
    1    H    CYS  32           H        CYS  32  -4.646   0.400   2.339
    2    HA   CYS  32           HB1      CYS  32  -1.997  -0.273   3.428
    3    HB2  CYS  32           HG2      CYS  32  -2.516   1.231   1.252
    4    HB3  CYS  32           HG3      CYS  32  -2.552   2.485   2.487

  No H/Q in entry =           4
  In of MODEL   25
    1    H    THR  33           H        THR  33  -1.255   0.698   5.293
    2    HG1  THR  33          HG21      THR  33  -2.661   0.801   9.696
    3   HG21  THR  33          HG22      THR  33   0.130   1.132   7.205
    4   HG22  THR  33          HG23      THR  33   0.025   0.518   8.855
    5   HG23  THR  33           HXT      THR  33  -0.295  -0.555   7.493
    6    HA   THR  33           HB1      THR  33  -3.320   2.031   6.906
    7    HB   THR  33          HG12      THR  33  -2.438  -0.077   7.821

  No H/Q in entry =           7
  In of MODEL   25
    1    H    GLY  34           H        GLY  34  -1.432   3.261   4.895
    2    HA2  GLY  34           HA3      GLY  34  -0.974   5.691   6.142
    3    HA3  GLY  34           HXT      GLY  34  -0.137   5.147   4.696

  No H/Q in entry =           3
  In of MODEL   25
    1    H    ARG  35           H        ARG  35   1.052   2.840   6.101
    2    HB2  ARG  35           HG2      ARG  35   1.586   1.897   8.352
    3    HB3  ARG  35           HG3      ARG  35   3.006   1.255   7.537
    4    HG2  ARG  35           HD2      ARG  35   4.363   2.596   9.240
    5    HD2  ARG  35           HD3      ARG  35   3.511   0.810  11.083
    6    HG3  ARG  35           HD3      ARG  35   2.849   2.740  10.134
    7    HE   ARG  35          HH12      ARG  35   5.428   0.641   8.950
    8   HH11  ARG  35          HH21      ARG  35   3.976  -1.056  11.631
    9   HH12  ARG  35          HH22      ARG  35   5.323  -2.122  11.849
   10    HD3  ARG  35           HXT      ARG  35   2.867   0.088   9.609
   11   HH21  ARG  35           HXT      ARG  35   7.201  -0.760   9.234
   12   HH22  ARG  35           H1       ARG  35   7.154  -1.954  10.488
   13    HA   ARG  35           HB1      ARG  35   2.882   4.198   7.949

  No H/Q in entry =          13
  In of MODEL   25
    1    H    SER  36           H        SER  36   2.767   2.357   4.964
    2    HG   SER  36           HXT      SER  36   7.330   1.339   5.701
    3    HA   SER  36           HB1      SER  36   5.224   3.481   4.058
    4    HB2  SER  36           HG2      SER  36   5.210   0.708   5.162
    5    HB3  SER  36           HG3      SER  36   6.173   1.023   3.718

  No H/Q in entry =           5
  In of MODEL   25
    1    H    CYS  37           H        CYS  37   5.901   2.374   1.920
    2    HA   CYS  37           HB1      CYS  37   3.608   2.358   0.225
    3    HB2  CYS  37           HG2      CYS  37   6.413   1.528  -0.525
    4    HB3  CYS  37           HG3      CYS  37   5.152   2.134  -1.593

  No H/Q in entry =           4
  In of MODEL   25
    1    H    GLU  38           H        GLU  38   5.622  -0.099   1.674
    2    HB2  GLU  38           HG2      GLU  38   6.242  -1.979   2.608
    3    HB3  GLU  38           HG3      GLU  38   5.539  -3.547   2.237
    4    HA   GLU  38           HB1      GLU  38   4.761  -2.259   0.039
    5    HG2  GLU  38           HD2      GLU  38   6.832  -3.770   0.275
    6    HG3  GLU  38           HD3      GLU  38   7.330  -2.080   0.326

  No H/Q in entry =           6
  In of MODEL   25
    1    H    CYS  39           H        CYS  39   2.746  -2.981  -0.059
    2    HA   CYS  39           HB1      CYS  39   0.725  -2.399   1.792
    3    HB2  CYS  39           HG2      CYS  39   0.867  -4.623  -0.253
    4    HB3  CYS  39           HG3      CYS  39  -0.594  -4.124   0.592

  No H/Q in entry =           4
  In of MODEL   25
    1    HB2  PRO  40           HG2      PRO  40  -1.212  -5.703   5.875
    2    HB3  PRO  40           HG3      PRO  40  -0.288  -4.230   6.189
    3    HG2  PRO  40           HD2      PRO  40  -2.355  -4.757   4.088
    4    HD2  PRO  40           HD3      PRO  40  -1.299  -3.413   2.543
    5    HG3  PRO  40           HD3      PRO  40  -2.143  -3.327   5.115
    6    HD3  PRO  40           HXT      PRO  40  -0.460  -2.472   3.792
    7    HA   PRO  40           HB1      PRO  40   1.336  -5.354   5.011

  No H/Q in entry =           7
  In of MODEL   25
    1    H    SER  41           H        SER  41   0.342  -7.493   5.842
    2    HG   SER  41           HXT      SER  41   1.054 -10.006   6.653
    3    HA   SER  41           HB1      SER  41  -0.501  -9.148   3.556
    4    HB2  SER  41           HG2      SER  41   0.883 -10.995   4.535
    5    HB3  SER  41           HG3      SER  41   1.833  -9.629   3.950

  No H/Q in entry =           5
  In of MODEL   25
    1    H    TYR  42           H        TYR  42  -2.122  -7.904   5.611
    2    HD1  TYR  42           HD2      TYR  42  -0.210  -8.625   7.741
    3    HD2  TYR  42           HE1      TYR  42  -3.727  -7.334   9.756
    4    HE1  TYR  42           HE2      TYR  42   0.979  -6.617   8.516
    5    HE2  TYR  42           HH       TYR  42  -2.548  -5.321  10.536
    6    HH   TYR  42           HXT      TYR  42   0.848  -4.955  10.256
    7    HA   TYR  42           HB1      TYR  42  -3.585 -10.240   6.440
    8    HB2  TYR  42           HG2      TYR  42  -3.632  -9.510   8.861
    9    HB3  TYR  42           HG3      TYR  42  -2.107 -10.197   8.310

  No H/Q in entry =           9
  In of MODEL   25
    1    HB2  PRO  43           HG2      PRO  43  -8.081  -9.044   4.974
    2    HB3  PRO  43           HG3      PRO  43  -7.848  -7.727   3.819
    3    HG2  PRO  43           HD2      PRO  43  -6.836 -10.141   3.340
    4    HD2  PRO  43           HD3      PRO  43  -5.534 -10.568   5.196
    5    HG3  PRO  43           HD3      PRO  43  -5.929  -8.675   2.922
    6    HD3  PRO  43           HXT      PRO  43  -4.329  -9.672   4.248
    7    HA   PRO  43           HB1      PRO  43  -6.245  -6.699   5.114

  No H/Q in entry =           7
  In of MODEL   25
    1    H    GLY  44           H        GLY  44  -7.234  -5.489   6.596
    2    HA2  GLY  44           HA3      GLY  44  -7.875  -5.076   8.849
    3    HA3  GLY  44           HXT      GLY  44  -8.258  -6.782   9.024

  No H/Q in entry =           3
  In of MODEL   26
    1    H1   ALA   1           H1       ALA   1  17.795  13.788   0.773
    2    H2   ALA   1           H2       ALA   1  17.418  14.070  -0.875
    3    H3   ALA   1           H3       ALA   1  18.239  15.272   0.034
    4    HA   ALA   1           HB1      ALA   1  16.392  15.698   1.343
    5    HB1  ALA   1           HB2      ALA   1  16.033  15.620  -1.601
    6    HB2  ALA   1           HB3      ALA   1  14.625  16.005  -0.610
    7    HB3  ALA   1           HXT      ALA   1  16.080  16.997  -0.500

  No H/Q in entry =           7
  In of MODEL   26
    1    H    MET   2           H        MET   2  15.649  14.144   2.736
    2    HB2  MET   2           HG2      MET   2  12.626  13.093   1.093
    3    HB3  MET   2           HG3      MET   2  12.050  12.314   2.560
    4    HE1  MET   2           HE2      MET   2  12.627  17.010   2.195
    5    HE2  MET   2           HE3      MET   2  12.466  16.756   0.457
    6    HE3  MET   2           HXT      MET   2  11.200  17.604   1.346
    7    HA   MET   2           HB1      MET   2  14.249  12.568   3.589
    8    HG2  MET   2           HD2      MET   2  11.903  14.269   3.712
    9    HG3  MET   2           HD3      MET   2  13.202  15.035   2.799

  No H/Q in entry =           9
  In of MODEL   26
    1    H    ASP   3           H        ASP   3  12.859  10.490   2.703
    2    HA   ASP   3           HB1      ASP   3  14.617   9.039   0.844
    3    HB2  ASP   3           HG2      ASP   3  14.288   7.011   2.309
    4    HB3  ASP   3           HG3      ASP   3  15.289   8.280   3.008

  No H/Q in entry =           4
  In of MODEL   26
    1    H    CYS   4           H        CYS   4  13.492   8.323  -0.829
    2    HA   CYS   4           HB1      CYS   4  10.618   8.216  -0.763
    3    HB2  CYS   4           HG2      CYS   4  12.664   7.611  -2.895
    4    HB3  CYS   4           HG3      CYS   4  10.939   7.369  -3.149

  No H/Q in entry =           4
  In of MODEL   26
    1    H    THR   5           H        THR   5   9.375   6.505  -0.368
    2    HG1  THR   5          HG21      THR   5   7.132   4.845   1.698
    3   HG21  THR   5          HG22      THR   5  10.700   4.882   2.105
    4   HG22  THR   5          HG23      THR   5   9.264   5.782   2.593
    5   HG23  THR   5           HXT      THR   5   9.485   4.116   3.128
    6    HA   THR   5           HB1      THR   5  10.674   3.893  -0.057
    7    HB   THR   5          HG12      THR   5   8.657   3.281   1.245

  No H/Q in entry =           7
  In of MODEL   26
    1    H    THR   6           H        THR   6  10.451   2.472  -1.642
    2    HG1  THR   6          HG21      THR   6  11.287   0.203  -3.475
    3   HG21  THR   6          HG22      THR   6  10.870   3.489  -4.534
    4   HG22  THR   6          HG23      THR   6  11.253   2.214  -5.690
    5   HG23  THR   6           HXT      THR   6   9.642   2.930  -5.669
    6    HA   THR   6           HB1      THR   6   8.334   2.811  -3.611
    7    HB   THR   6          HG12      THR   6   9.632   0.748  -4.613

  No H/Q in entry =           7
  In of MODEL   26
    1    H    GLY   7           H        GLY   7   7.016   1.007  -4.307
    2    HA2  GLY   7           HA3      GLY   7   6.112  -0.559  -2.025
    3    HA3  GLY   7           HXT      GLY   7   6.702  -1.478  -3.401

  No H/Q in entry =           3
  In of MODEL   26
    1    HB2  PRO   8           HG2      PRO   8   1.623  -2.854  -3.183
    2    HB3  PRO   8           HG3      PRO   8   1.630  -3.290  -4.895
    3    HG2  PRO   8           HD2      PRO   8   3.201  -4.563  -3.162
    4    HD2  PRO   8           HD3      PRO   8   4.432  -2.866  -2.198
    5    HG3  PRO   8           HD3      PRO   8   3.771  -4.177  -4.797
    6    HD3  PRO   8           HXT      PRO   8   5.463  -3.150  -3.615
    7    HA   PRO   8           HB1      PRO   8   2.841  -1.430  -5.498

  No H/Q in entry =           7
  In of MODEL   26
    1    H    CYS   9           H        CYS   9   2.863  -0.497  -2.117
    2    HA   CYS   9           HB1      CYS   9   0.426   1.089  -2.505
    3    HB2  CYS   9           HG2      CYS   9   0.989  -0.543  -0.467
    4    HB3  CYS   9           HG3      CYS   9   1.754   0.916   0.154

  No H/Q in entry =           4
  In of MODEL   26
    1    H    CYS  10           H        CYS  10   2.910   1.894  -3.706
    2    HA   CYS  10           HB1      CYS  10   3.074   4.561  -2.571
    3    HB2  CYS  10           HG2      CYS  10   5.327   2.604  -2.540
    4    HB3  CYS  10           HG3      CYS  10   5.695   4.294  -2.868

  No H/Q in entry =           4
  In of MODEL   26
    1    H    ARG  11           H        ARG  11   3.744   6.127  -4.038
    2    HB2  ARG  11           HG2      ARG  11   2.364   7.280  -5.646
    3    HB3  ARG  11           HG3      ARG  11   3.833   8.148  -6.072
    4    HG2  ARG  11           HD2      ARG  11   3.341   6.979  -8.421
    5    HD2  ARG  11           HD3      ARG  11   2.289   9.529  -7.257
    6    HG3  ARG  11           HD3      ARG  11   1.692   7.073  -7.799
    7    HE   ARG  11          HH12      ARG  11   2.117   9.327 -10.118
    8   HH11  ARG  11          HH21      ARG  11   0.384   8.939  -7.114
    9   HH12  ARG  11          HH22      ARG  11  -1.173   9.157  -7.839
   10    HD3  ARG  11           HXT      ARG  11   3.620   9.290  -8.389
   11   HH21  ARG  11           HXT      ARG  11   0.069   9.615 -11.074
   12   HH22  ARG  11           H1       ARG  11  -1.352   9.540 -10.087
   13    HA   ARG  11           HB1      ARG  11   3.661   5.272  -6.826

  No H/Q in entry =          13
  In of MODEL   26
    1    H    GLN  12           H        GLN  12   5.983   4.469  -5.744
    2    HB2  GLN  12           HG2      GLN  12   7.866   6.992  -7.791
    3    HB3  GLN  12           HG3      GLN  12   9.103   5.759  -7.991
    4   HE21  GLN  12          HE22      GLN  12   7.412   7.636  -9.629
    5   HE22  GLN  12           HXT      GLN  12   5.775   7.984 -10.058
    6    HA   GLN  12           HB1      GLN  12   8.209   4.434  -6.241
    7    HG2  GLN  12           HD2      GLN  12   7.860   4.986  -9.658
    8    HG3  GLN  12           HD3      GLN  12   6.773   4.367  -8.415

  No H/Q in entry =           8
  In of MODEL   26
    1    H    CYS  13           H        CYS  13   6.709   6.533  -4.317
    2    HA   CYS  13           HB1      CYS  13   8.980   7.193  -2.817
    3    HB2  CYS  13           HG2      CYS  13   9.366   8.753  -4.730
    4    HB3  CYS  13           HG3      CYS  13   7.841   9.543  -4.343

  No H/Q in entry =           4
  In of MODEL   26
    1    H    LYS  14           H        LYS  14   5.823   8.577  -3.723
    2    HB2  LYS  14           HG2      LYS  14   3.285   9.048  -3.345
    3    HB3  LYS  14           HG3      LYS  14   3.070  10.035  -1.906
    4    HG2  LYS  14           HG3      LYS  14   5.177  11.280  -2.717
    5    HG3  LYS  14           HD2      LYS  14   4.841  10.508  -4.268
    6    HD2  LYS  14           HD3      LYS  14   3.565  12.332  -4.618
    7    HE2  LYS  14           HE3      LYS  14   2.399  13.425  -2.494
    8    HE3  LYS  14           HZ1      LYS  14   3.741  12.630  -1.672
    9    HZ1  LYS  14           HZ2      LYS  14   5.271  13.781  -3.162
   10    HZ2  LYS  14           HZ3      LYS  14   3.974  14.562  -3.916
   11    HD3  LYS  14           HXT      LYS  14   2.386  11.460  -3.636
   12    HZ3  LYS  14           HXT      LYS  14   4.324  14.879  -2.291
   13    HA   LYS  14           HB1      LYS  14   5.213   9.367  -1.043

  No H/Q in entry =          13
  In of MODEL   26
    1    H    LEU  15           H        LEU  15   3.429   8.558   0.230
    2   HD11  LEU  15          HD12      LEU  15   5.229   5.240   3.027
    3   HD12  LEU  15          HD13      LEU  15   4.119   4.621   4.250
    4   HD13  LEU  15          HD21      LEU  15   4.771   3.537   3.022
    5   HD21  LEU  15          HD22      LEU  15   1.718   5.429   3.693
    6   HD22  LEU  15          HD23      LEU  15   1.140   4.504   2.307
    7   HD23  LEU  15           HXT      LEU  15   2.012   3.692   3.607
    8    HG   LEU  15           HXT      LEU  15   3.298   4.202   1.457
    9    HA   LEU  15           HB1      LEU  15   2.966   5.677  -0.183
   10    HB2  LEU  15           HG2      LEU  15   4.352   6.629   1.856
   11    HB3  LEU  15           HG3      LEU  15   2.755   6.923   2.519

  No H/Q in entry =          11
  In of MODEL   26
    1    H    LYS  16           H        LYS  16   0.916   4.925  -0.125
    2    HB2  LYS  16           HG2      LYS  16  -0.933   3.774  -0.240
    3    HB3  LYS  16           HG3      LYS  16  -2.536   4.441   0.036
    4    HG2  LYS  16           HG3      LYS  16  -2.715   5.247  -2.132
    5    HG3  LYS  16           HD2      LYS  16  -0.971   5.199  -2.397
    6    HD2  LYS  16           HD3      LYS  16  -0.992   2.799  -2.485
    7    HE2  LYS  16           HE3      LYS  16  -1.730   4.121  -4.514
    8    HE3  LYS  16           HZ1      LYS  16  -2.189   2.419  -4.477
    9    HZ1  LYS  16           HZ2      LYS  16  -4.092   4.326  -3.361
   10    HZ2  LYS  16           HZ3      LYS  16  -3.900   4.341  -5.042
   11    HD3  LYS  16           HXT      LYS  16  -2.692   2.753  -2.014
   12    HZ3  LYS  16           HXT      LYS  16  -4.369   2.917  -4.256
   13    HA   LYS  16           HB1      LYS  16  -1.231   6.724  -0.460

  No H/Q in entry =          13
  In of MODEL   26
    1    HB2  PRO  17           HG2      PRO  17  -5.303   7.584   3.332
    2    HB3  PRO  17           HG3      PRO  17  -4.255   8.895   2.778
    3    HG2  PRO  17           HD2      PRO  17  -5.443   6.631   1.222
    4    HD2  PRO  17           HD3      PRO  17  -3.608   6.459  -0.167
    5    HG3  PRO  17           HD3      PRO  17  -5.296   8.341   0.776
    6    HD3  PRO  17           HXT      PRO  17  -3.078   8.121   0.167
    7    HA   PRO  17           HB1      PRO  17  -2.592   7.574   3.641

  No H/Q in entry =           7
  In of MODEL   26
    1    H    ALA  18           H        ALA  18  -3.167   6.534   5.496
    2    HA   ALA  18           HB1      ALA  18  -3.326   3.727   5.504
    3    HB1  ALA  18           HB2      ALA  18  -3.672   5.843   7.582
    4    HB2  ALA  18           HB3      ALA  18  -2.440   4.587   7.450
    5    HB3  ALA  18           HXT      ALA  18  -4.075   4.168   7.961

  No H/Q in entry =           5
  In of MODEL   26
    1    H    GLY  19           H        GLY  19  -4.986   2.453   5.034
    2    HA2  GLY  19           HA3      GLY  19  -7.703   3.386   5.693
    3    HA3  GLY  19           HXT      GLY  19  -7.217   1.702   5.578

  No H/Q in entry =           3
  In of MODEL   26
    1    H    THR  20           H        THR  20  -5.652   2.424   3.078
    2    HG1  THR  20          HG21      THR  20  -6.488   4.976   2.131
    3   HG21  THR  20          HG22      THR  20  -6.650   2.732  -1.216
    4   HG22  THR  20          HG23      THR  20  -7.613   4.188  -0.968
    5   HG23  THR  20           HXT      THR  20  -5.892   4.320  -1.333
    6    HA   THR  20           HB1      THR  20  -7.966   2.455   1.256
    7    HB   THR  20          HG12      THR  20  -5.252   3.697   0.768

  No H/Q in entry =           7
  In of MODEL   26
    1    H    THR  21           H        THR  21  -8.099   0.791  -0.110
    2    HG1  THR  21          HG21      THR  21  -9.063  -0.104  -2.375
    3   HG21  THR  21          HG22      THR  21  -8.594  -2.456   0.325
    4   HG22  THR  21          HG23      THR  21  -9.400  -2.930  -1.171
    5   HG23  THR  21           HXT      THR  21  -7.739  -3.438  -0.864
    6    HA   THR  21           HB1      THR  21  -6.414  -1.434   0.090
    7    HB   THR  21          HG12      THR  21  -7.642  -1.650  -2.405

  No H/Q in entry =           7
  In of MODEL   26
    1    H    CYS  22           H        CYS  22  -5.038  -2.396  -1.528
    2    HA   CYS  22           HB1      CYS  22  -3.817  -0.462  -3.374
    3    HB2  CYS  22           HG2      CYS  22  -1.589  -1.495  -2.806
    4    HB3  CYS  22           HG3      CYS  22  -2.311  -0.530  -1.523

  No H/Q in entry =           4
  In of MODEL   26
    1    H    TRP  23           H        TRP  23  -4.164  -3.883  -2.495
    2    HE1  TRP  23           HE3      TRP  23  -1.160  -8.632  -6.177
    3    HE3  TRP  23           HZ2      TRP  23  -5.229  -8.991  -2.728
    4    HZ2  TRP  23           HZ3      TRP  23  -1.952 -11.299  -5.694
    5    HZ3  TRP  23           HH2      TRP  23  -5.200 -11.443  -2.931
    6    HH2  TRP  23           HXT      TRP  23  -3.595 -12.571  -4.384
    7    HA   TRP  23           HB1      TRP  23  -3.175  -4.866  -4.972
    8    HB2  TRP  23           HG2      TRP  23  -3.544  -6.029  -2.599
    9    HB3  TRP  23           HG3      TRP  23  -5.051  -6.522  -3.361
   10    HD1  TRP  23           HD2      TRP  23  -1.843  -6.269  -5.422

  No H/Q in entry =          10
  In of MODEL   26
    1    H    LYS  24           H        LYS  24  -6.451  -5.355  -3.706
    2    HB2  LYS  24           HG2      LYS  24  -7.946  -3.103  -4.730
    3    HB3  LYS  24           HG3      LYS  24  -7.651  -3.267  -6.456
    4    HG2  LYS  24           HG3      LYS  24 -10.014  -4.471  -6.358
    5    HG3  LYS  24           HD2      LYS  24 -10.186  -3.438  -4.937
    6    HD2  LYS  24           HD3      LYS  24 -10.268  -1.540  -6.165
    7    HE2  LYS  24           HE3      LYS  24 -11.137  -3.762  -7.920
    8    HE3  LYS  24           HZ1      LYS  24 -12.053  -2.397  -7.282
    9    HZ1  LYS  24           HZ2      LYS  24 -10.010  -2.141  -9.417
   10    HZ2  LYS  24           HZ3      LYS  24 -11.661  -2.341  -9.724
   11    HD3  LYS  24           HXT      LYS  24  -9.102  -2.133  -7.349
   12    HZ3  LYS  24           HXT      LYS  24 -11.113  -0.965  -8.905
   13    HA   LYS  24           HB1      LYS  24  -8.441  -5.644  -4.798

  No H/Q in entry =          13
  In of MODEL   26
    1    H    THR  25           H        THR  25  -8.168  -7.564  -5.930
    2    HG1  THR  25          HG21      THR  25  -6.578  -9.163  -5.967
    3   HG21  THR  25          HG22      THR  25  -5.380  -7.180  -8.153
    4   HG22  THR  25          HG23      THR  25  -4.854  -8.284  -6.882
    5   HG23  THR  25           HXT      THR  25  -4.606  -8.707  -8.576
    6    HA   THR  25           HB1      THR  25  -7.619  -7.226  -8.799
    7    HB   THR  25          HG12      THR  25  -6.649  -9.542  -8.772

  No H/Q in entry =           7
  In of MODEL   26
    1    H    SER  26           H        SER  26 -10.090  -6.937  -8.212
    2    HG   SER  26           HXT      SER  26 -11.189 -10.252 -11.308
    3    HA   SER  26           HB1      SER  26 -12.237  -7.723  -8.326
    4    HB2  SER  26           HG2      SER  26 -12.698  -8.847 -10.328
    5    HB3  SER  26           HG3      SER  26 -11.169  -8.034 -10.660

  No H/Q in entry =           5
  In of MODEL   26
    1    H    VAL  27           H        VAL  27 -10.512  -9.088  -6.326
    2    HB   VAL  27          HG12      VAL  27  -9.376 -11.868  -6.069
    3   HG11  VAL  27          HG12      VAL  27 -11.216 -13.058  -4.386
    4   HG12  VAL  27          HG13      VAL  27 -11.199 -14.115  -5.798
    5   HG13  VAL  27          HG21      VAL  27  -9.698 -13.765  -4.940
    6   HG21  VAL  27          HG22      VAL  27 -11.752 -12.649  -7.749
    7   HG22  VAL  27          HG23      VAL  27 -10.346 -11.709  -8.247
    8   HG23  VAL  27           HXT      VAL  27 -10.171 -13.421  -7.862
    9    HA   VAL  27           HB1      VAL  27 -12.318 -11.260  -5.748

  No H/Q in entry =           9
  In of MODEL   26
    1    H    SER  28           H        SER  28  -9.019 -10.378  -4.788
    2    HG   SER  28           HXT      SER  28  -8.465 -12.549  -0.863
    3    HA   SER  28           HB1      SER  28 -10.030  -9.843  -2.074
    4    HB2  SER  28           HG2      SER  28  -7.813 -11.611  -2.965
    5    HB3  SER  28           HG3      SER  28  -7.532 -10.652  -1.512

  No H/Q in entry =           5
  In of MODEL   26
    1    H    SER  29           H        SER  29  -9.010  -8.198  -0.914
    2    HG   SER  29           HXT      SER  29  -9.518  -6.524  -3.376
    3    HA   SER  29           HB1      SER  29  -6.969  -6.632  -2.310
    4    HB2  SER  29           HG2      SER  29  -9.094  -5.032  -1.012
    5    HB3  SER  29           HG3      SER  29  -8.195  -4.722  -2.497

  No H/Q in entry =           5
  In of MODEL   26
    1    H    HIS  30           H        HIS  30  -5.607  -5.459  -0.979
    2    HD1  HIS  30           HD2      HIS  30  -1.325  -6.767   0.391
    3    HD2  HIS  30           HE1      HIS  30  -5.243  -7.973  -0.284
    4    HE1  HIS  30           HE2      HIS  30  -1.153  -8.985  -0.782
    5    HE2  HIS  30           HXT      HIS  30  -3.536  -9.740  -1.092
    6    HA   HIS  30           HB1      HIS  30  -5.699  -6.229   1.840
    7    HB2  HIS  30           HG2      HIS  30  -3.461  -4.828   0.369
    8    HB3  HIS  30           HG3      HIS  30  -3.373  -5.624   1.937

  No H/Q in entry =           8
  In of MODEL   26
    1    H    TYR  31           H        TYR  31  -4.273  -4.242   3.039
    2    HD1  TYR  31           HD2      TYR  31  -7.832  -4.423   5.243
    3    HD2  TYR  31           HE1      TYR  31  -7.693  -1.095   2.596
    4    HE1  TYR  31           HE2      TYR  31 -10.140  -4.894   4.539
    5    HE2  TYR  31           HH       TYR  31 -10.002  -1.557   1.885
    6    HH   TYR  31           HXT      TYR  31 -11.519  -3.691   1.829
    7    HA   TYR  31           HB1      TYR  31  -5.615  -1.716   2.470
    8    HB2  TYR  31           HG2      TYR  31  -5.870  -3.232   5.067
    9    HB3  TYR  31           HG3      TYR  31  -6.180  -1.503   4.942

  No H/Q in entry =           9
  In of MODEL   26
    1    H    CYS  32           H        CYS  32  -4.331  -0.005   2.808
    2    HA   CYS  32           HB1      CYS  32  -1.643  -0.485   3.775
    3    HB2  CYS  32           HG2      CYS  32  -2.767   1.207   1.859
    4    HB3  CYS  32           HG3      CYS  32  -2.249   2.286   3.150

  No H/Q in entry =           4
  In of MODEL   26
    1    H    THR  33           H        THR  33  -0.817   0.164   5.677
    2    HG1  THR  33          HG21      THR  33   0.826  -0.278   8.845
    3   HG21  THR  33          HG22      THR  33  -2.279  -1.193   7.446
    4   HG22  THR  33          HG23      THR  33  -0.627  -1.754   7.705
    5   HG23  THR  33           HXT      THR  33  -1.723  -1.578   9.075
    6    HA   THR  33           HB1      THR  33  -2.657   1.381   7.592
    7    HB   THR  33          HG12      THR  33  -1.229   0.566   9.307

  No H/Q in entry =           7
  In of MODEL   26
    1    H    GLY  34           H        GLY  34  -1.067   2.798   5.381
    2    HA2  GLY  34           HA3      GLY  34  -0.710   5.246   6.591
    3    HA3  GLY  34           HXT      GLY  34   0.104   4.758   5.113

  No H/Q in entry =           3
  In of MODEL   26
    1    H    ARG  35           H        ARG  35   1.476   2.538   6.579
    2    HB2  ARG  35           HG2      ARG  35   2.371   1.413   8.497
    3    HB3  ARG  35           HG3      ARG  35   4.046   1.729   8.928
    4    HG2  ARG  35           HD2      ARG  35   1.733   3.360   9.944
    5    HD2  ARG  35           HD3      ARG  35   4.267   3.084  11.425
    6    HG3  ARG  35           HD3      ARG  35   2.405   1.967  10.795
    7    HE   ARG  35          HH12      ARG  35   2.172   4.783  11.633
    8   HH11  ARG  35          HH21      ARG  35   5.565   5.239  10.954
    9   HH12  ARG  35          HH22      ARG  35   5.623   6.815  11.668
   10    HD3  ARG  35           HXT      ARG  35   4.347   4.009   9.926
   11   HH21  ARG  35           HXT      ARG  35   2.247   6.857  12.571
   12   HH22  ARG  35           H1       ARG  35   3.740   7.734  12.586
   13    HA   ARG  35           HB1      ARG  35   3.419   4.169   8.077

  No H/Q in entry =          13
  In of MODEL   26
    1    H    SER  36           H        SER  36   3.006   1.610   5.700
    2    HG   SER  36           HXT      SER  36   4.270  -1.030   5.836
    3    HA   SER  36           HB1      SER  36   5.594   2.272   4.561
    4    HB2  SER  36           HG2      SER  36   6.562   0.138   4.712
    5    HB3  SER  36           HG3      SER  36   5.850   0.379   6.307

  No H/Q in entry =           5
  In of MODEL   26
    1    H    CYS  37           H        CYS  37   5.935   1.194   2.449
    2    HA   CYS  37           HB1      CYS  37   3.566   1.357   0.872
    3    HB2  CYS  37           HG2      CYS  37   6.226   0.258  -0.032
    4    HB3  CYS  37           HG3      CYS  37   4.982   1.023  -1.014

  No H/Q in entry =           4
  In of MODEL   26
    1    H    GLU  38           H        GLU  38   5.364  -1.238   2.329
    2    HB2  GLU  38           HG2      GLU  38   5.140  -3.399   3.707
    3    HB3  GLU  38           HG3      GLU  38   5.080  -4.802   2.649
    4    HA   GLU  38           HB1      GLU  38   4.459  -3.381   0.761
    5    HG2  GLU  38           HD2      GLU  38   6.841  -3.318   1.293
    6    HG3  GLU  38           HD3      GLU  38   7.147  -2.715   2.922

  No H/Q in entry =           6
  In of MODEL   26
    1    H    CYS  39           H        CYS  39   2.535  -4.315   0.566
    2    HA   CYS  39           HB1      CYS  39   0.347  -3.424   2.251
    3    HB2  CYS  39           HG2      CYS  39   0.444  -5.174  -0.210
    4    HB3  CYS  39           HG3      CYS  39  -1.040  -4.806   0.662

  No H/Q in entry =           4
  In of MODEL   26
    1    HB2  PRO  40           HG2      PRO  40  -2.319  -7.064   5.560
    2    HB3  PRO  40           HG3      PRO  40  -1.219  -5.826   6.176
    3    HG2  PRO  40           HD2      PRO  40  -3.189  -5.660   3.927
    4    HD2  PRO  40           HD3      PRO  40  -1.848  -4.247   2.699
    5    HG3  PRO  40           HD3      PRO  40  -2.849  -4.479   5.206
    6    HD3  PRO  40           HXT      PRO  40  -0.978  -3.668   4.134
    7    HA   PRO  40           HB1      PRO  40   0.304  -6.968   4.884

  No H/Q in entry =           7
  In of MODEL   26
    1    H    SER  41           H        SER  41   0.038  -9.144   4.745
    2    HG   SER  41           HXT      SER  41   1.117 -12.569   4.449
    3    HA   SER  41           HB1      SER  41  -1.325 -10.153   2.358
    4    HB2  SER  41           HG2      SER  41  -0.017 -12.187   2.673
    5    HB3  SER  41           HG3      SER  41   1.048 -10.782   2.709

  No H/Q in entry =           5
  In of MODEL   26
    1    H    TYR  42           H        TYR  42  -2.897  -9.322   4.589
    2    HD1  TYR  42           HD2      TYR  42  -4.375  -9.522   8.926
    3    HD2  TYR  42           HE1      TYR  42  -1.114 -10.318   6.311
    4    HE1  TYR  42           HE2      TYR  42  -3.091  -7.712   9.985
    5    HE2  TYR  42           HH       TYR  42   0.178  -8.510   7.363
    6    HH   TYR  42           HXT      TYR  42  -0.178  -6.502   8.655
    7    HA   TYR  42           HB1      TYR  42  -4.407 -11.749   4.991
    8    HB2  TYR  42           HG2      TYR  42  -4.495 -11.351   7.508
    9    HB3  TYR  42           HG3      TYR  42  -3.006 -12.043   6.875

  No H/Q in entry =           9
  In of MODEL   26
    1    HB2  PRO  43           HG2      PRO  43  -8.889  -9.161   2.981
    2    HB3  PRO  43           HG3      PRO  43  -7.395  -8.494   2.314
    3    HG2  PRO  43           HD2      PRO  43  -8.069 -11.333   2.986
    4    HD2  PRO  43           HD3      PRO  43  -5.911 -11.818   3.632
    5    HG3  PRO  43           HD3      PRO  43  -7.237 -10.689   1.558
    6    HD3  PRO  43           HXT      PRO  43  -5.222 -10.499   2.662
    7    HA   PRO  43           HB1      PRO  43  -6.997  -7.965   4.515

  No H/Q in entry =           7
  In of MODEL   26
    1    H    GLY  44           H        GLY  44  -9.154  -7.525   5.265
    2    HA2  GLY  44           HA3      GLY  44  -9.885  -8.472   7.676
    3    HA3  GLY  44           HXT      GLY  44 -10.627  -9.639   6.592

  No H/Q in entry =           3
  In of MODEL   27
    1    H1   ALA   1           H1       ALA   1  16.765  14.044   0.169
    2    H2   ALA   1           H2       ALA   1  16.409  13.335  -1.353
    3    H3   ALA   1           H3       ALA   1  15.834  14.909  -0.982
    4    HA   ALA   1           HB1      ALA   1  14.388  14.103   0.637
    5    HB1  ALA   1           HB2      ALA   1  14.200  12.311  -1.780
    6    HB2  ALA   1           HB3      ALA   1  13.686  13.998  -1.740
    7    HB3  ALA   1           HXT      ALA   1  12.883  12.806  -0.717

  No H/Q in entry =           7
  In of MODEL   27
    1    H    MET   2           H        MET   2  15.627  11.163  -0.957
    2    HB2  MET   2           HG2      MET   2  16.908  10.900   2.124
    3    HB3  MET   2           HG3      MET   2  16.948   9.159   2.363
    4    HE1  MET   2           HE2      MET   2  20.825   9.899   0.065
    5    HE2  MET   2           HE3      MET   2  21.634  11.277   0.810
    6    HE3  MET   2           HXT      MET   2  21.771   9.676   1.537
    7    HA   MET   2           HB1      MET   2  16.165   9.106  -0.151
    8    HG2  MET   2           HD2      MET   2  18.652   8.855   0.829
    9    HG3  MET   2           HD3      MET   2  18.340  10.394   0.027

  No H/Q in entry =           9
  In of MODEL   27
    1    H    ASP   3           H        ASP   3  15.388   7.354   1.168
    2    HA   ASP   3           HB1      ASP   3  13.741   6.141   2.162
    3    HB2  ASP   3           HG2      ASP   3  14.351   8.007   3.961
    4    HB3  ASP   3           HG3      ASP   3  12.697   8.513   3.634

  No H/Q in entry =           4
  In of MODEL   27
    1    H    CYS   4           H        CYS   4  12.740   6.080   0.025
    2    HA   CYS   4           HB1      CYS   4  10.262   7.664  -0.123
    3    HB2  CYS   4           HG2      CYS   4  12.142   6.639  -2.196
    4    HB3  CYS   4           HG3      CYS   4  10.434   6.728  -2.610

  No H/Q in entry =           4
  In of MODEL   27
    1    H    THR   5           H        THR   5  11.636   4.445  -0.281
    2    HG1  THR   5          HG21      THR   5   9.305   4.825   1.932
    3   HG21  THR   5          HG22      THR   5   8.978   0.982   0.804
    4   HG22  THR   5          HG23      THR   5   9.736   1.517   2.304
    5   HG23  THR   5           HXT      THR   5   7.986   1.630   2.111
    6    HA   THR   5           HB1      THR   5  10.715   2.370  -0.155
    7    HB   THR   5          HG12      THR   5   8.104   3.465   0.780

  No H/Q in entry =           7
  In of MODEL   27
    1    H    THR   6           H        THR   6  10.734   2.359  -2.505
    2    HG1  THR   6          HG21      THR   6  11.280   0.653  -4.909
    3   HG21  THR   6          HG22      THR   6   9.501   4.139  -5.600
    4   HG22  THR   6          HG23      THR   6  11.071   4.050  -4.803
    5   HG23  THR   6           HXT      THR   6  10.886   3.460  -6.454
    6    HA   THR   6           HB1      THR   6   8.357   3.014  -3.963
    7    HB   THR   6          HG12      THR   6   9.624   1.614  -5.774

  No H/Q in entry =           7
  In of MODEL   27
    1    H    GLY   7           H        GLY   7   6.559   1.865  -3.620
    2    HA2  GLY   7           HA3      GLY   7   6.027  -0.477  -2.519
    3    HA3  GLY   7           HXT      GLY   7   6.680  -1.022  -4.056

  No H/Q in entry =           3
  In of MODEL   27
    1    HB2  PRO   8           HG2      PRO   8   0.838  -2.118  -3.985
    2    HB3  PRO   8           HG3      PRO   8   2.064  -2.906  -4.984
    3    HG2  PRO   8           HD2      PRO   8   2.131  -2.259  -2.061
    4    HD2  PRO   8           HD3      PRO   8   4.388  -1.820  -2.085
    5    HG3  PRO   8           HD3      PRO   8   2.643  -3.741  -2.891
    6    HD3  PRO   8           HXT      PRO   8   4.669  -2.843  -3.509
    7    HA   PRO   8           HB1      PRO   8   2.530  -0.729  -5.572

  No H/Q in entry =           7
  In of MODEL   27
    1    H    CYS   9           H        CYS   9   2.727   0.144  -2.182
    2    HA   CYS   9           HB1      CYS   9   0.310   1.780  -2.404
    3    HB2  CYS   9           HG2      CYS   9   1.257   0.211  -0.351
    4    HB3  CYS   9           HG3      CYS   9   1.732   1.827   0.159

  No H/Q in entry =           4
  In of MODEL   27
    1    H    CYS  10           H        CYS  10   2.810   2.475  -3.770
    2    HA   CYS  10           HB1      CYS  10   3.050   5.188  -2.729
    3    HB2  CYS  10           HG2      CYS  10   5.501   3.545  -3.380
    4    HB3  CYS  10           HG3      CYS  10   5.459   5.186  -2.744

  No H/Q in entry =           4
  In of MODEL   27
    1    H    ARG  11           H        ARG  11   2.549   6.452  -4.384
    2    HB2  ARG  11           HG2      ARG  11   2.086   7.994  -7.591
    3    HB3  ARG  11           HG3      ARG  11   1.176   7.544  -6.155
    4    HG2  ARG  11           HD2      ARG  11   3.027   8.533  -4.786
    5    HD2  ARG  11           HD3      ARG  11   0.901   9.730  -5.395
    6    HG3  ARG  11           HD3      ARG  11   3.716   9.148  -6.289
    7    HE   ARG  11          HH12      ARG  11   2.100  10.259  -7.802
    8   HH11  ARG  11          HH21      ARG  11   0.719  12.172  -5.231
    9   HH12  ARG  11          HH22      ARG  11   0.227  13.457  -6.282
   10    HD3  ARG  11           HXT      ARG  11   2.274  10.767  -5.007
   11   HH21  ARG  11           HXT      ARG  11   1.454  11.948  -9.186
   12   HH22  ARG  11           H1       ARG  11   0.643  13.330  -8.528
   13    HA   ARG  11           HB1      ARG  11   2.468   5.654  -7.058

  No H/Q in entry =          13
  In of MODEL   27
    1    H    GLN  12           H        GLN  12   5.083   6.747  -5.144
    2    HB2  GLN  12           HG2      GLN  12   6.319   7.896  -8.354
    3    HB3  GLN  12           HG3      GLN  12   6.408   9.024  -7.009
    4   HE21  GLN  12          HE22      GLN  12   9.919  10.386  -7.866
    5   HE22  GLN  12           HXT      GLN  12   9.428  11.213  -9.301
    6    HA   GLN  12           HB1      GLN  12   7.079   6.074  -6.931
    7    HG2  GLN  12           HD2      GLN  12   8.817   8.777  -6.929
    8    HG3  GLN  12           HD3      GLN  12   8.755   7.582  -8.223

  No H/Q in entry =           8
  In of MODEL   27
    1    H    CYS  13           H        CYS  13   5.975   8.062  -4.302
    2    HA   CYS  13           HB1      CYS  13   8.226   7.316  -2.692
    3    HB2  CYS  13           HG2      CYS  13   9.115   9.248  -4.032
    4    HB3  CYS  13           HG3      CYS  13   7.887  10.262  -3.281

  No H/Q in entry =           4
  In of MODEL   27
    1    H    LYS  14           H        LYS  14   5.489   9.542  -3.056
    2    HB2  LYS  14           HG2      LYS  14   3.629  10.650  -2.725
    3    HB3  LYS  14           HG3      LYS  14   2.701  10.597  -1.232
    4    HG2  LYS  14           HG3      LYS  14   4.625  11.983  -0.236
    5    HG3  LYS  14           HD2      LYS  14   5.070  12.292  -1.916
    6    HD2  LYS  14           HD3      LYS  14   3.272  13.620  -2.287
    7    HE2  LYS  14           HE3      LYS  14   4.428  14.222   0.022
    8    HE3  LYS  14           HZ1      LYS  14   3.045  15.122  -0.598
    9    HZ1  LYS  14           HZ2      LYS  14   2.758  12.817   1.240
   10    HZ2  LYS  14           HZ3      LYS  14   2.913  14.409   1.791
   11    HD3  LYS  14           HXT      LYS  14   2.223  12.676  -1.228
   12    HZ3  LYS  14           HXT      LYS  14   1.591  13.972   0.831
   13    HA   LYS  14           HB1      LYS  14   5.034   9.782  -0.245

  No H/Q in entry =          13
  In of MODEL   27
    1    H    LEU  15           H        LEU  15   4.175   8.293   1.028
    2   HD11  LEU  15          HD12      LEU  15   4.993   5.059   3.411
    3   HD12  LEU  15          HD13      LEU  15   3.781   4.149   4.312
    4   HD13  LEU  15          HD21      LEU  15   4.692   3.365   3.022
    5   HD21  LEU  15          HD22      LEU  15   1.054   4.596   2.090
    6   HD22  LEU  15          HD23      LEU  15   1.776   3.170   2.837
    7   HD23  LEU  15           HXT      LEU  15   1.587   4.654   3.770
    8    HG   LEU  15           HXT      LEU  15   3.398   4.227   1.398
    9    HA   LEU  15           HB1      LEU  15   3.006   5.904   0.032
   10    HB2  LEU  15           HG2      LEU  15   4.188   6.586   2.360
   11    HB3  LEU  15           HG3      LEU  15   2.505   6.667   2.845

  No H/Q in entry =          11
  In of MODEL   27
    1    H    LYS  16           H        LYS  16   0.888   5.213   0.024
    2    HB2  LYS  16           HG2      LYS  16  -1.018   4.191  -0.228
    3    HB3  LYS  16           HG3      LYS  16  -2.589   4.960  -0.048
    4    HG2  LYS  16           HG3      LYS  16  -2.590   5.768  -2.214
    5    HG3  LYS  16           HD2      LYS  16  -0.835   5.655  -2.364
    6    HD2  LYS  16           HD3      LYS  16  -1.261   3.096  -2.067
    7    HE2  LYS  16           HE3      LYS  16  -1.801   2.940  -4.559
    8    HE3  LYS  16           HZ1      LYS  16  -1.810   4.703  -4.544
    9    HZ1  LYS  16           HZ2      LYS  16   0.488   4.399  -3.425
   10    HZ2  LYS  16           HZ3      LYS  16   0.439   2.857  -4.119
   11    HD3  LYS  16           HXT      LYS  16  -2.902   3.506  -2.571
   12    HZ3  LYS  16           HXT      LYS  16   0.352   4.231  -5.102
   13    HA   LYS  16           HB1      LYS  16  -1.101   7.153  -0.438

  No H/Q in entry =          13
  In of MODEL   27
    1    HB2  PRO  17           HG2      PRO  17  -5.375   7.764   2.401
    2    HB3  PRO  17           HG3      PRO  17  -4.734   9.222   3.166
    3    HG2  PRO  17           HD2      PRO  17  -5.082   9.108   0.527
    4    HD2  PRO  17           HD3      PRO  17  -3.842   7.263  -0.096
    5    HG3  PRO  17           HD3      PRO  17  -3.679   9.935   1.229
    6    HD3  PRO  17           HXT      PRO  17  -2.547   8.477  -0.153
    7    HA   PRO  17           HB1      PRO  17  -2.668   8.284   3.519

  No H/Q in entry =           7
  In of MODEL   27
    1    H    ALA  18           H        ALA  18  -3.325   7.335   5.402
    2    HA   ALA  18           HB1      ALA  18  -3.331   4.543   5.603
    3    HB1  ALA  18           HB2      ALA  18  -2.950   6.452   7.384
    4    HB2  ALA  18           HB3      ALA  18  -4.656   6.155   7.722
    5    HB3  ALA  18           HXT      ALA  18  -3.487   4.842   7.863

  No H/Q in entry =           5
  In of MODEL   27
    1    H    GLY  19           H        GLY  19  -4.834   3.295   4.674
    2    HA2  GLY  19           HA3      GLY  19  -7.665   3.957   5.202
    3    HA3  GLY  19           HXT      GLY  19  -7.042   2.317   5.104

  No H/Q in entry =           3
  In of MODEL   27
    1    H    THR  20           H        THR  20  -5.332   3.093   2.772
    2    HG1  THR  20          HG21      THR  20  -4.747   5.416   1.489
    3   HG21  THR  20          HG22      THR  20  -6.663   4.458  -1.400
    4   HG22  THR  20          HG23      THR  20  -4.979   4.935  -1.620
    5   HG23  THR  20           HXT      THR  20  -5.432   3.233  -1.710
    6    HA   THR  20           HB1      THR  20  -7.410   3.455   0.728
    7    HB   THR  20          HG12      THR  20  -4.408   3.632   0.408

  No H/Q in entry =           7
  In of MODEL   27
    1    H    THR  21           H        THR  21  -7.133   2.180  -1.291
    2    HG1  THR  21          HG21      THR  21  -9.083   1.041  -1.240
    3   HG21  THR  21          HG22      THR  21  -8.422  -1.559  -0.669
    4   HG22  THR  21          HG23      THR  21  -9.680  -1.288  -1.874
    5   HG23  THR  21           HXT      THR  21  -8.273  -2.274  -2.274
    6    HA   THR  21           HB1      THR  21  -6.538  -0.595  -0.596
    7    HB   THR  21          HG12      THR  21  -7.616  -0.339  -3.236

  No H/Q in entry =           7
  In of MODEL   27
    1    H    CYS  22           H        CYS  22  -4.686  -1.484  -1.177
    2    HA   CYS  22           HB1      CYS  22  -3.169  -0.279  -3.387
    3    HB2  CYS  22           HG2      CYS  22  -1.195  -1.387  -2.385
    4    HB3  CYS  22           HG3      CYS  22  -1.978  -0.275  -1.267

  No H/Q in entry =           4
  In of MODEL   27
    1    H    TRP  23           H        TRP  23  -4.396  -3.317  -2.107
    2    HE1  TRP  23           HE3      TRP  23  -0.907  -8.001  -5.884
    3    HE3  TRP  23           HZ2      TRP  23  -4.703  -8.696  -2.185
    4    HZ2  TRP  23           HZ3      TRP  23  -1.620 -10.711  -5.545
    5    HZ3  TRP  23           HH2      TRP  23  -4.652 -11.125  -2.572
    6    HH2  TRP  23           HXT      TRP  23  -3.142 -12.110  -4.218
    7    HA   TRP  23           HB1      TRP  23  -3.659  -4.626  -4.642
    8    HB2  TRP  23           HG2      TRP  23  -2.892  -5.432  -2.180
    9    HB3  TRP  23           HG3      TRP  23  -4.414  -6.306  -2.322
   10    HD1  TRP  23           HD2      TRP  23  -1.568  -5.713  -4.907

  No H/Q in entry =          10
  In of MODEL   27
    1    H    LYS  24           H        LYS  24  -5.225  -5.509  -5.871
    2    HB2  LYS  24           HG2      LYS  24  -7.890  -3.620  -5.468
    3    HB3  LYS  24           HG3      LYS  24  -7.482  -4.127  -7.101
    4    HG2  LYS  24           HG3      LYS  24  -9.572  -4.860  -7.546
    5    HG3  LYS  24           HD2      LYS  24  -9.859  -5.390  -5.888
    6    HD2  LYS  24           HD3      LYS  24  -9.778  -2.503  -6.755
    7    HE2  LYS  24           HE3      LYS  24 -10.111  -3.908  -4.193
    8    HE3  LYS  24           HZ1      LYS  24  -9.533  -2.276  -4.527
    9    HZ1  LYS  24           HZ2      LYS  24 -11.975  -1.796  -5.071
   10    HZ2  LYS  24           HZ3      LYS  24 -12.310  -3.224  -4.227
   11    HD3  LYS  24           HXT      LYS  24 -11.259  -3.450  -6.602
   12    HZ3  LYS  24           HXT      LYS  24 -11.536  -1.941  -3.444
   13    HA   LYS  24           HB1      LYS  24  -7.865  -6.001  -4.760

  No H/Q in entry =          13
  In of MODEL   27
    1    H    THR  25           H        THR  25  -6.486  -8.054  -5.395
    2    HG1  THR  25          HG21      THR  25  -5.436 -11.357  -8.134
    3   HG21  THR  25          HG22      THR  25  -7.350 -10.683  -5.097
    4   HG22  THR  25          HG23      THR  25  -5.792 -11.491  -4.924
    5   HG23  THR  25           HXT      THR  25  -5.944  -9.777  -4.538
    6    HA   THR  25           HB1      THR  25  -6.402  -8.776  -8.141
    7    HB   THR  25          HG12      THR  25  -4.908  -9.889  -6.649

  No H/Q in entry =           7
  In of MODEL   27
    1    H    SER  26           H        SER  26  -8.670  -8.016  -8.536
    2    HG   SER  26           HXT      SER  26 -11.499 -11.777 -10.206
    3    HA   SER  26           HB1      SER  26 -10.711  -8.637  -9.353
    4    HB2  SER  26           HG2      SER  26  -9.603 -10.990  -9.467
    5    HB3  SER  26           HG3      SER  26 -10.548 -11.320  -8.015

  No H/Q in entry =           5
  In of MODEL   27
    1    H    VAL  27           H        VAL  27 -10.215 -10.091  -6.153
    2    HB   VAL  27          HG12      VAL  27 -13.377 -10.658  -5.647
    3   HG11  VAL  27          HG12      VAL  27 -11.266 -11.938  -5.363
    4   HG12  VAL  27          HG13      VAL  27 -11.444 -11.764  -3.617
    5   HG13  VAL  27          HG21      VAL  27 -12.649 -12.660  -4.542
    6   HG21  VAL  27          HG22      VAL  27 -13.748  -9.207  -3.405
    7   HG22  VAL  27          HG23      VAL  27 -14.672 -10.656  -3.799
    8   HG23  VAL  27           HXT      VAL  27 -13.294 -10.760  -2.703
    9    HA   VAL  27           HB1      VAL  27 -12.420  -8.456  -5.136

  No H/Q in entry =           9
  In of MODEL   27
    1    H    SER  28           H        SER  28  -9.714 -10.595  -4.373
    2    HG   SER  28           HXT      SER  28  -6.960 -12.080  -1.347
    3    HA   SER  28           HB1      SER  28  -9.540 -10.025  -1.633
    4    HB2  SER  28           HG2      SER  28  -8.114 -11.584  -3.486
    5    HB3  SER  28           HG3      SER  28  -6.927 -10.483  -2.786

  No H/Q in entry =           5
  In of MODEL   27
    1    H    SER  29           H        SER  29  -8.145  -8.648  -0.469
    2    HG   SER  29           HXT      SER  29  -8.385  -3.717  -0.781
    3    HA   SER  29           HB1      SER  29  -6.653  -6.597  -1.842
    4    HB2  SER  29           HG2      SER  29  -8.735  -5.482  -2.012
    5    HB3  SER  29           HG3      SER  29  -9.220  -5.969  -0.388

  No H/Q in entry =           5
  In of MODEL   27
    1    H    HIS  30           H        HIS  30  -5.255  -5.436  -0.466
    2    HD1  HIS  30           HD2      HIS  30  -0.880  -7.688   1.397
    3    HD2  HIS  30           HE1      HIS  30  -4.652  -8.293  -0.237
    4    HE1  HIS  30           HE2      HIS  30  -0.858 -10.040   0.509
    5    HE2  HIS  30           HXT      HIS  30  -3.122 -10.354  -0.553
    6    HA   HIS  30           HB1      HIS  30  -4.957  -6.649   2.200
    7    HB2  HIS  30           HG2      HIS  30  -2.915  -5.440   0.333
    8    HB3  HIS  30           HG3      HIS  30  -2.563  -5.862   2.005

  No H/Q in entry =           8
  In of MODEL   27
    1    H    TYR  31           H        TYR  31  -5.182  -3.643   0.436
    2    HD1  TYR  31           HD2      TYR  31  -7.869   0.109   2.253
    3    HD2  TYR  31           HE1      TYR  31  -8.050  -4.137   2.052
    4    HE1  TYR  31           HE2      TYR  31 -10.062   0.261   1.153
    5    HE2  TYR  31           HH       TYR  31 -10.243  -3.997   0.950
    6    HH   TYR  31           HXT      TYR  31 -12.175  -2.209   0.914
    7    HA   TYR  31           HB1      TYR  31  -5.493  -1.488   1.101
    8    HB2  TYR  31           HG2      TYR  31  -6.444  -3.014   3.503
    9    HB3  TYR  31           HG3      TYR  31  -6.352  -1.257   3.557

  No H/Q in entry =           9
  In of MODEL   27
    1    H    CYS  32           H        CYS  32  -4.791   0.168   2.838
    2    HA   CYS  32           HB1      CYS  32  -2.183  -0.606   3.958
    3    HB2  CYS  32           HG2      CYS  32  -2.831   1.580   2.055
    4    HB3  CYS  32           HG3      CYS  32  -1.691   1.961   3.341

  No H/Q in entry =           4
  In of MODEL   27
    1    H    THR  33           H        THR  33  -1.628   0.315   5.903
    2    HG1  THR  33          HG21      THR  33  -2.957   0.427  10.345
    3   HG21  THR  33          HG22      THR  33  -0.522   0.550   7.999
    4   HG22  THR  33          HG23      THR  33  -0.924  -0.015   9.620
    5   HG23  THR  33           HXT      THR  33  -1.170  -1.073   8.231
    6    HA   THR  33           HB1      THR  33  -3.768   1.839   7.229
    7    HB   THR  33          HG12      THR  33  -3.268  -0.351   8.234

  No H/Q in entry =           7
  In of MODEL   27
    1    H    GLY  34           H        GLY  34  -1.587   2.920   5.522
    2    HA2  GLY  34           HA3      GLY  34  -0.986   5.228   6.956
    3    HA3  GLY  34           HXT      GLY  34  -0.128   4.691   5.520

  No H/Q in entry =           3
  In of MODEL   27
    1    H    ARG  35           H        ARG  35   0.773   2.200   6.762
    2    HB2  ARG  35           HG2      ARG  35   1.050   1.141   9.090
    3    HB3  ARG  35           HG3      ARG  35   2.368   0.323   8.262
    4    HG2  ARG  35           HD2      ARG  35   2.615   0.143  10.664
    5    HD2  ARG  35           HD3      ARG  35   3.246   3.014  10.978
    6    HG3  ARG  35           HD3      ARG  35   3.929   1.099   9.974
    7    HE   ARG  35          HH12      ARG  35   2.866   0.912  12.722
    8   HH11  ARG  35          HH21      ARG  35   1.636   4.156  12.347
    9   HH12  ARG  35          HH22      ARG  35   1.366   4.384  14.042
   10    HD3  ARG  35           HXT      ARG  35   1.538   2.589  10.867
   11   HH21  ARG  35           HXT      ARG  35   2.511   1.210  14.952
   12   HH22  ARG  35           H1       ARG  35   1.863   2.712  15.521
   13    HA   ARG  35           HB1      ARG  35   2.640   3.246   8.780

  No H/Q in entry =          13
  In of MODEL   27
    1    H    SER  36           H        SER  36   2.413   1.590   5.703
    2    HG   SER  36           HXT      SER  36   7.277   0.232   5.743
    3    HA   SER  36           HB1      SER  36   4.964   2.427   4.862
    4    HB2  SER  36           HG2      SER  36   5.275   0.370   6.579
    5    HB3  SER  36           HG3      SER  36   5.051  -0.530   5.079

  No H/Q in entry =           5
  In of MODEL   27
    1    H    CYS  37           H        CYS  37   5.641   1.161   2.808
    2    HA   CYS  37           HB1      CYS  37   3.411   1.204   1.035
    3    HB2  CYS  37           HG2      CYS  37   6.092   1.564   0.721
    4    HB3  CYS  37           HG3      CYS  37   5.897  -0.062   0.075

  No H/Q in entry =           4
  In of MODEL   27
    1    H    GLU  38           H        GLU  38   5.180  -1.299   2.701
    2    HB2  GLU  38           HG2      GLU  38   5.350  -3.325   3.958
    3    HB3  GLU  38           HG3      GLU  38   4.943  -4.841   3.167
    4    HA   GLU  38           HB1      GLU  38   4.239  -3.489   1.155
    5    HG2  GLU  38           HD2      GLU  38   6.552  -4.296   1.375
    6    HG3  GLU  38           HD3      GLU  38   7.004  -2.843   2.265

  No H/Q in entry =           6
  In of MODEL   27
    1    H    CYS  39           H        CYS  39   2.145  -3.942   0.959
    2    HA   CYS  39           HB1      CYS  39   0.182  -3.210   2.873
    3    HB2  CYS  39           HG2      CYS  39  -0.100  -5.230   0.643
    4    HB3  CYS  39           HG3      CYS  39  -1.395  -4.347   1.444

  No H/Q in entry =           4
  In of MODEL   27
    1    HB2  PRO  40           HG2      PRO  40  -2.603  -6.438   5.712
    2    HB3  PRO  40           HG3      PRO  40  -1.529  -6.288   7.108
    3    HG2  PRO  40           HD2      PRO  40  -2.782  -4.155   6.123
    4    HD2  PRO  40           HD3      PRO  40  -2.127  -4.134   3.907
    5    HG3  PRO  40           HD3      PRO  40  -1.115  -4.041   6.716
    6    HD3  PRO  40           HXT      PRO  40  -0.771  -3.213   4.590
    7    HA   PRO  40           HB1      PRO  40   0.370  -6.487   5.831

  No H/Q in entry =           7
  In of MODEL   27
    1    H    SER  41           H        SER  41   0.347  -8.686   5.826
    2    HG   SER  41           HXT      SER  41   1.610 -11.762   3.578
    3    HA   SER  41           HB1      SER  41  -0.207 -10.041   3.397
    4    HB2  SER  41           HG2      SER  41   0.784 -10.794   6.095
    5    HB3  SER  41           HG3      SER  41   0.081 -12.085   5.120

  No H/Q in entry =           5
  In of MODEL   27
    1    H    TYR  42           H        TYR  42  -1.973  -9.609   6.388
    2    HD1  TYR  42           HD2      TYR  42  -1.977  -8.860   8.353
    3    HD2  TYR  42           HE1      TYR  42  -4.625 -12.119   9.032
    4    HE1  TYR  42           HE2      TYR  42  -0.571  -9.604  10.228
    5    HE2  TYR  42           HH       TYR  42  -3.227 -12.873  10.909
    6    HH   TYR  42           HXT      TYR  42  -1.193 -11.147  12.497
    7    HA   TYR  42           HB1      TYR  42  -3.882 -11.630   6.105
    8    HB2  TYR  42           HG2      TYR  42  -4.209  -8.899   7.363
    9    HB3  TYR  42           HG3      TYR  42  -5.281 -10.273   7.613

  No H/Q in entry =           9
  In of MODEL   27
    1    HB2  PRO  43           HG2      PRO  43  -7.478 -12.021   1.957
    2    HB3  PRO  43           HG3      PRO  43  -5.772 -12.006   1.495
    3    HG2  PRO  43           HD2      PRO  43  -7.073 -13.234   3.896
    4    HD2  PRO  43           HD3      PRO  43  -5.252 -12.804   5.246
    5    HG3  PRO  43           HD3      PRO  43  -5.814 -13.903   2.841
    6    HD3  PRO  43           HXT      PRO  43  -4.135 -12.703   3.870
    7    HA   PRO  43           HB1      PRO  43  -5.841  -9.901   2.412

  No H/Q in entry =           7
  In of MODEL   27
    1    H    GLY  44           H        GLY  44  -7.054  -8.233   3.261
    2    HA2  GLY  44           HA3      GLY  44  -9.773  -8.976   4.105
    3    HA3  GLY  44           HXT      GLY  44  -9.314  -7.440   3.385

  No H/Q in entry =           3
  In of MODEL   28
    1    H1   ALA   1           H1       ALA   1  16.716  11.604   4.574
    2    H2   ALA   1           H2       ALA   1  17.703  12.354   5.761
    3    H3   ALA   1           H3       ALA   1  17.557  10.644   5.718
    4    HA   ALA   1           HB1      ALA   1  16.216  11.245   7.432
    5    HB1  ALA   1           HB2      ALA   1  16.311  13.656   7.018
    6    HB2  ALA   1           HB3      ALA   1  15.153  13.474   5.700
    7    HB3  ALA   1           HXT      ALA   1  14.665  13.120   7.357

  No H/Q in entry =           7
  In of MODEL   28
    1    H    MET   2           H        MET   2  14.585  11.957   4.336
    2    HB2  MET   2           HG2      MET   2  13.107  11.628   2.403
    3    HB3  MET   2           HG3      MET   2  11.600  10.772   2.701
    4    HE1  MET   2           HE2      MET   2  11.740  15.211   4.087
    5    HE2  MET   2           HE3      MET   2  12.101  15.669   2.423
    6    HE3  MET   2           HXT      MET   2  10.470  15.878   3.061
    7    HA   MET   2           HB1      MET   2  12.404  10.205   4.977
    8    HG2  MET   2           HD2      MET   2  11.097  12.324   4.532
    9    HG3  MET   2           HD3      MET   2  12.590  13.195   4.186

  No H/Q in entry =           9
  In of MODEL   28
    1    H    ASP   3           H        ASP   3  11.722   8.419   3.581
    2    HA   ASP   3           HB1      ASP   3  13.836   7.113   2.057
    3    HB2  ASP   3           HG2      ASP   3  12.701   6.098   4.628
    4    HB3  ASP   3           HG3      ASP   3  13.092   4.935   3.365

  No H/Q in entry =           4
  In of MODEL   28
    1    H    CYS   4           H        CYS   4  12.471   7.551   0.275
    2    HA   CYS   4           HB1      CYS   4   9.778   6.599   0.176
    3    HB2  CYS   4           HG2      CYS   4  11.695   7.745  -1.823
    4    HB3  CYS   4           HG3      CYS   4  10.206   6.989  -2.378

  No H/Q in entry =           4
  In of MODEL   28
    1    H    THR   5           H        THR   5   9.278   4.514   0.143
    2    HG1  THR   5          HG21      THR   5   8.852   2.864   1.862
    3   HG21  THR   5          HG22      THR   5  11.363   0.743  -0.051
    4   HG22  THR   5          HG23      THR   5  10.574   0.398   1.488
    5   HG23  THR   5           HXT      THR   5   9.857  -0.173  -0.019
    6    HA   THR   5           HB1      THR   5  11.130   2.589  -1.034
    7    HB   THR   5          HG12      THR   5   8.589   1.659   0.170

  No H/Q in entry =           7
  In of MODEL   28
    1    H    THR   6           H        THR   6   9.974   0.682  -2.175
    2    HG1  THR   6          HG21      THR   6  11.173   0.185  -3.697
    3   HG21  THR   6          HG22      THR   6   9.608   2.164  -5.822
    4   HG22  THR   6          HG23      THR   6  11.194   1.544  -5.364
    5   HG23  THR   6           HXT      THR   6  10.327   0.828  -6.722
    6    HA   THR   6           HB1      THR   6   8.217   1.849  -4.224
    7    HB   THR   6          HG12      THR   6   8.991  -0.405  -5.404

  No H/Q in entry =           7
  In of MODEL   28
    1    H    GLY   7           H        GLY   7   6.215   1.073  -4.552
    2    HA2  GLY   7           HA3      GLY   7   5.064  -0.692  -2.636
    3    HA3  GLY   7           HXT      GLY   7   5.297  -1.508  -4.175

  No H/Q in entry =           3
  In of MODEL   28
    1    HB2  PRO   8           HG2      PRO   8   0.098  -1.513  -3.945
    2    HB3  PRO   8           HG3      PRO   8  -0.057  -1.529  -5.705
    3    HG2  PRO   8           HD2      PRO   8   1.156  -3.528  -4.436
    4    HD2  PRO   8           HD3      PRO   8   2.817  -2.479  -3.226
    5    HG3  PRO   8           HD3      PRO   8   1.774  -2.926  -5.986
    6    HD3  PRO   8           HXT      PRO   8   3.704  -2.670  -4.752
    7    HA   PRO   8           HB1      PRO   8   1.606   0.036  -5.997

  No H/Q in entry =           7
  In of MODEL   28
    1    H    CYS   9           H        CYS   9   1.926   0.164  -2.505
    2    HA   CYS   9           HB1      CYS   9  -0.100   2.251  -2.298
    3    HB2  CYS   9           HG2      CYS   9   1.579   0.895  -0.179
    4    HB3  CYS   9           HG3      CYS   9   0.334   2.096   0.142

  No H/Q in entry =           4
  In of MODEL   28
    1    H    CYS  10           H        CYS  10   1.912   3.137  -3.862
    2    HA   CYS  10           HB1      CYS  10   2.870   5.396  -2.382
    3    HB2  CYS  10           HG2      CYS  10   4.705   3.162  -3.081
    4    HB3  CYS  10           HG3      CYS  10   5.302   4.801  -3.313

  No H/Q in entry =           4
  In of MODEL   28
    1    H    ARG  11           H        ARG  11   2.904   7.109  -3.684
    2    HB2  ARG  11           HG2      ARG  11   1.161   8.359  -5.218
    3    HB3  ARG  11           HG3      ARG  11   2.627   9.296  -4.961
    4    HG2  ARG  11           HD2      ARG  11   2.779   9.290  -7.551
    5    HD2  ARG  11           HD3      ARG  11   1.940  11.116  -5.759
    6    HG3  ARG  11           HD3      ARG  11   1.065   8.879  -7.470
    7    HE   ARG  11          HH12      ARG  11  -0.483  10.279  -6.609
    8   HH11  ARG  11          HH21      ARG  11   1.312  13.234  -7.079
    9   HH12  ARG  11          HH22      ARG  11  -0.104  14.222  -7.208
   10    HD3  ARG  11           HXT      ARG  11   2.007  11.405  -7.498
   11   HH21  ARG  11           HXT      ARG  11  -2.348  11.576  -6.778
   12   HH22  ARG  11           H1       ARG  11  -2.182  13.280  -7.036
   13    HA   ARG  11           HB1      ARG  11   2.503   6.713  -6.528

  No H/Q in entry =          13
  In of MODEL   28
    1    H    GLN  12           H        GLN  12   4.894   5.776  -6.215
    2    HB2  GLN  12           HG2      GLN  12   5.676   7.768  -8.549
    3    HB3  GLN  12           HG3      GLN  12   6.861   8.793  -7.750
    4   HE21  GLN  12          HE22      GLN  12   7.054   8.815 -11.041
    5   HE22  GLN  12           HXT      GLN  12   8.379   9.923 -11.088
    6    HA   GLN  12           HB1      GLN  12   6.994   5.912  -7.095
    7    HG2  GLN  12           HD2      GLN  12   8.393   6.700  -8.608
    8    HG3  GLN  12           HD3      GLN  12   7.200   6.849  -9.897

  No H/Q in entry =           8
  In of MODEL   28
    1    H    CYS  13           H        CYS  13   5.957   7.301  -4.397
    2    HA   CYS  13           HB1      CYS  13   8.466   7.523  -3.200
    3    HB2  CYS  13           HG2      CYS  13   8.119   9.700  -4.772
    4    HB3  CYS  13           HG3      CYS  13   7.398  10.281  -3.274

  No H/Q in entry =           4
  In of MODEL   28
    1    H    LYS  14           H        LYS  14   5.563   9.578  -2.927
    2    HB2  LYS  14           HG2      LYS  14   3.386  10.437  -1.924
    3    HB3  LYS  14           HG3      LYS  14   3.444  10.555  -0.170
    4    HG2  LYS  14           HG3      LYS  14   5.126  12.064  -0.187
    5    HG3  LYS  14           HD2      LYS  14   5.877  11.376  -1.629
    6    HD2  LYS  14           HD3      LYS  14   4.683  12.685  -3.034
    7    HE2  LYS  14           HE3      LYS  14   4.020  14.319  -0.604
    8    HE3  LYS  14           HZ1      LYS  14   5.666  14.185  -1.219
    9    HZ1  LYS  14           HZ2      LYS  14   3.352  15.132  -2.819
   10    HZ2  LYS  14           HZ3      LYS  14   4.464  16.149  -2.053
   11    HD3  LYS  14           HXT      LYS  14   3.234  12.620  -2.029
   12    HZ3  LYS  14           HXT      LYS  14   4.975  15.121  -3.297
   13    HA   LYS  14           HB1      LYS  14   5.400   9.112  -0.101

  No H/Q in entry =          13
  In of MODEL   28
    1    H    LEU  15           H        LEU  15   4.019   7.822   1.019
    2   HD11  LEU  15          HD12      LEU  15   2.633   4.728   4.071
    3   HD12  LEU  15          HD13      LEU  15   3.122   6.119   5.039
    4   HD13  LEU  15          HD21      LEU  15   1.547   6.107   4.245
    5   HD21  LEU  15          HD22      LEU  15   5.188   6.696   2.186
    6   HD22  LEU  15          HD23      LEU  15   4.823   7.646   3.626
    7   HD23  LEU  15           HXT      LEU  15   5.093   5.909   3.761
    8    HG   LEU  15           HXT      LEU  15   2.717   7.400   2.772
    9    HA   LEU  15           HB1      LEU  15   2.780   5.661  -0.435
   10    HB2  LEU  15           HG2      LEU  15   2.154   4.892   1.900
   11    HB3  LEU  15           HG3      LEU  15   3.865   4.981   1.529

  No H/Q in entry =          11
  In of MODEL   28
    1    H    LYS  16           H        LYS  16   0.571   5.045  -0.256
    2    HB2  LYS  16           HG2      LYS  16  -1.459   4.249  -0.587
    3    HB3  LYS  16           HG3      LYS  16  -2.930   5.191  -0.384
    4    HG2  LYS  16           HG3      LYS  16  -2.495   6.379  -2.445
    5    HG3  LYS  16           HD2      LYS  16  -0.959   5.531  -2.635
    6    HD2  LYS  16           HD3      LYS  16  -2.171   3.398  -2.775
    7    HE2  LYS  16           HE3      LYS  16  -2.848   5.607  -4.673
    8    HE3  LYS  16           HZ1      LYS  16  -1.760   4.238  -4.897
    9    HZ1  LYS  16           HZ2      LYS  16  -4.661   3.818  -4.557
   10    HZ2  LYS  16           HZ3      LYS  16  -4.018   4.208  -6.072
   11    HD3  LYS  16           HXT      LYS  16  -3.700   4.266  -2.619
   12    HZ3  LYS  16           HXT      LYS  16  -3.518   2.800  -5.279
   13    HA   LYS  16           HB1      LYS  16  -1.236   7.224  -0.498

  No H/Q in entry =          13
  In of MODEL   28
    1    HB2  PRO  17           HG2      PRO  17  -5.532   7.366   2.487
    2    HB3  PRO  17           HG3      PRO  17  -4.949   8.805   3.331
    3    HG2  PRO  17           HD2      PRO  17  -5.391   8.857   0.706
    4    HD2  PRO  17           HD3      PRO  17  -4.079   7.133  -0.094
    5    HG3  PRO  17           HD3      PRO  17  -4.006   9.710   1.414
    6    HD3  PRO  17           HXT      PRO  17  -2.851   8.416  -0.106
    7    HA   PRO  17           HB1      PRO  17  -2.812   7.980   3.534

  No H/Q in entry =           7
  In of MODEL   28
    1    H    ALA  18           H        ALA  18  -3.305   6.878   5.379
    2    HA   ALA  18           HB1      ALA  18  -3.182   4.073   5.378
    3    HB1  ALA  18           HB2      ALA  18  -2.804   5.951   7.260
    4    HB2  ALA  18           HB3      ALA  18  -4.401   5.371   7.732
    5    HB3  ALA  18           HXT      ALA  18  -3.049   4.244   7.628

  No H/Q in entry =           5
  In of MODEL   28
    1    H    GLY  19           H        GLY  19  -4.714   2.837   4.486
    2    HA2  GLY  19           HA3      GLY  19  -7.511   3.346   5.292
    3    HA3  GLY  19           HXT      GLY  19  -6.843   1.744   5.015

  No H/Q in entry =           3
  In of MODEL   28
    1    H    THR  20           H        THR  20  -5.370   2.728   2.614
    2    HG1  THR  20          HG21      THR  20  -6.592   5.303   1.429
    3   HG21  THR  20          HG22      THR  20  -6.773   3.568  -1.627
    4   HG22  THR  20          HG23      THR  20  -7.204   5.116  -0.900
    5   HG23  THR  20           HXT      THR  20  -5.633   4.913  -1.675
    6    HA   THR  20           HB1      THR  20  -7.658   3.059   0.789
    7    HB   THR  20          HG12      THR  20  -4.801   3.617   0.037

  No H/Q in entry =           7
  In of MODEL   28
    1    H    THR  21           H        THR  21  -7.890   1.710  -0.962
    2    HG1  THR  21          HG21      THR  21  -9.508   0.544  -1.088
    3   HG21  THR  21          HG22      THR  21  -8.213  -2.152  -0.711
    4   HG22  THR  21          HG23      THR  21  -9.833  -1.625  -1.168
    5   HG23  THR  21           HXT      THR  21  -8.870  -2.587  -2.289
    6    HA   THR  21           HB1      THR  21  -6.651  -0.872  -0.737
    7    HB   THR  21          HG12      THR  21  -8.073  -0.730  -3.170

  No H/Q in entry =           7
  In of MODEL   28
    1    H    CYS  22           H        CYS  22  -5.247  -1.863  -2.158
    2    HA   CYS  22           HB1      CYS  22  -4.018  -0.118  -4.189
    3    HB2  CYS  22           HG2      CYS  22  -1.861  -1.263  -3.692
    4    HB3  CYS  22           HG3      CYS  22  -2.477  -0.314  -2.344

  No H/Q in entry =           4
  In of MODEL   28
    1    H    TRP  23           H        TRP  23  -4.685  -3.454  -3.207
    2    HE1  TRP  23           HE3      TRP  23  -2.439  -7.864  -8.017
    3    HE3  TRP  23           HZ2      TRP  23  -2.855  -8.088  -2.692
    4    HZ2  TRP  23           HZ3      TRP  23  -1.059 -10.060  -6.904
    5    HZ3  TRP  23           HH2      TRP  23  -1.471 -10.121  -2.658
    6    HH2  TRP  23           HXT      TRP  23  -0.593 -11.086  -4.721
    7    HA   TRP  23           HB1      TRP  23  -4.160  -4.380  -5.926
    8    HB2  TRP  23           HG2      TRP  23  -3.578  -5.521  -3.524
    9    HB3  TRP  23           HG3      TRP  23  -5.092  -6.327  -3.918
   10    HD1  TRP  23           HD2      TRP  23  -3.874  -5.892  -7.196

  No H/Q in entry =          10
  In of MODEL   28
    1    H    LYS  24           H        LYS  24  -6.658  -5.166  -3.532
    2    HB2  LYS  24           HG2      LYS  24  -8.681  -3.083  -4.559
    3    HB3  LYS  24           HG3      LYS  24  -8.828  -3.756  -6.177
    4    HG2  LYS  24           HG3      LYS  24 -10.995  -4.824  -5.334
    5    HG3  LYS  24           HD2      LYS  24 -10.861  -3.703  -3.978
    6    HD2  LYS  24           HD3      LYS  24 -10.964  -1.815  -5.428
    7    HE2  LYS  24           HE3      LYS  24 -13.081  -2.273  -6.746
    8    HE3  LYS  24           HZ1      LYS  24 -12.967  -3.933  -6.163
    9    HZ1  LYS  24           HZ2      LYS  24 -12.797  -2.777  -3.864
   10    HZ2  LYS  24           HZ3      LYS  24 -13.521  -1.470  -4.656
   11    HD3  LYS  24           HXT      LYS  24 -10.795  -2.831  -6.861
   12    HZ3  LYS  24           HXT      LYS  24 -14.310  -2.966  -4.594
   13    HA   LYS  24           HB1      LYS  24  -8.903  -5.486  -3.711

  No H/Q in entry =          13
  In of MODEL   28
    1    H    THR  25           H        THR  25  -7.137  -7.345  -4.985
    2    HG1  THR  25          HG21      THR  25  -5.799  -7.745  -7.701
    3   HG21  THR  25          HG22      THR  25  -7.531 -10.794  -7.820
    4   HG22  THR  25          HG23      THR  25  -6.621  -9.638  -8.793
    5   HG23  THR  25           HXT      THR  25  -5.768 -10.804  -7.781
    6    HA   THR  25           HB1      THR  25  -8.303  -8.080  -7.516
    7    HB   THR  25          HG12      THR  25  -6.458  -9.743  -5.800

  No H/Q in entry =           7
  In of MODEL   28
    1    H    SER  26           H        SER  26  -9.393 -10.077  -7.935
    2    HG   SER  26           HXT      SER  26 -12.869 -12.688  -8.559
    3    HA   SER  26           HB1      SER  26 -11.503 -10.624  -6.181
    4    HB2  SER  26           HG2      SER  26 -11.218 -11.116  -8.741
    5    HB3  SER  26           HG3      SER  26 -10.594 -12.667  -8.180

  No H/Q in entry =           5
  In of MODEL   28
    1    H    VAL  27           H        VAL  27  -8.334 -12.059  -6.498
    2    HB   VAL  27          HG12      VAL  27  -7.124 -14.411  -6.547
    3   HG11  VAL  27          HG12      VAL  27  -6.455 -11.931  -5.742
    4   HG12  VAL  27          HG13      VAL  27  -5.235 -12.875  -4.887
    5   HG13  VAL  27          HG21      VAL  27  -5.372 -12.994  -6.641
    6   HG21  VAL  27          HG22      VAL  27  -7.028 -15.949  -4.663
    7   HG22  VAL  27          HG23      VAL  27  -5.404 -15.472  -5.160
    8   HG23  VAL  27           HXT      VAL  27  -6.131 -14.759  -3.720
    9    HA   VAL  27           HB1      VAL  27  -8.912 -14.346  -4.865

  No H/Q in entry =           9
  In of MODEL   28
    1    H    SER  28           H        SER  28  -7.711 -11.108  -4.335
    2    HG   SER  28           HXT      SER  28  -6.975 -12.534  -0.189
    3    HA   SER  28           HB1      SER  28  -8.257 -11.178  -1.570
    4    HB2  SER  28           HG2      SER  28  -5.429 -11.695  -2.416
    5    HB3  SER  28           HG3      SER  28  -5.737 -10.766  -0.950

  No H/Q in entry =           5
  In of MODEL   28
    1    H    SER  29           H        SER  29  -8.554  -9.148  -0.874
    2    HG   SER  29           HXT      SER  29 -10.360  -6.434   0.108
    3    HA   SER  29           HB1      SER  29  -7.562  -6.972  -2.586
    4    HB2  SER  29           HG2      SER  29  -9.414  -5.629  -1.571
    5    HB3  SER  29           HG3      SER  29  -9.977  -7.029  -2.484

  No H/Q in entry =           5
  In of MODEL   28
    1    H    HIS  30           H        HIS  30  -5.567  -6.604  -1.666
    2    HD1  HIS  30           HD2      HIS  30  -1.150  -7.551  -0.227
    3    HD2  HIS  30           HE1      HIS  30  -5.156  -8.654  -0.257
    4    HE1  HIS  30           HE2      HIS  30  -1.155 -10.062  -0.369
    5    HE2  HIS  30           HXT      HIS  30  -3.588 -10.711  -0.298
    6    HA   HIS  30           HB1      HIS  30  -5.255  -6.297   1.178
    7    HB2  HIS  30           HG2      HIS  30  -3.343  -5.685  -1.085
    8    HB3  HIS  30           HG3      HIS  30  -2.926  -5.695   0.625

  No H/Q in entry =           8
  In of MODEL   28
    1    H    TYR  31           H        TYR  31  -4.470  -4.345   2.201
    2    HD1  TYR  31           HD2      TYR  31  -7.373  -4.195   1.658
    3    HD2  TYR  31           HE1      TYR  31  -7.935  -0.114   2.721
    4    HE1  TYR  31           HE2      TYR  31  -9.661  -4.284   0.762
    5    HE2  TYR  31           HH       TYR  31 -10.226  -0.192   1.828
    6    HH   TYR  31           HXT      TYR  31 -11.791  -3.098   1.030
    7    HA   TYR  31           HB1      TYR  31  -5.304  -1.879   0.823
    8    HB2  TYR  31           HG2      TYR  31  -6.005  -2.849   3.575
    9    HB3  TYR  31           HG3      TYR  31  -5.934  -1.122   3.240

  No H/Q in entry =           9
  In of MODEL   28
    1    H    CYS  32           H        CYS  32  -4.462   0.103   2.095
    2    HA   CYS  32           HB1      CYS  32  -1.639  -0.411   2.747
    3    HB2  CYS  32           HG2      CYS  32  -2.771   2.265   1.952
    4    HB3  CYS  32           HG3      CYS  32  -1.096   1.727   1.901

  No H/Q in entry =           4
  In of MODEL   28
    1    H    THR  33           H        THR  33  -0.957  -0.040   4.753
    2    HG1  THR  33          HG21      THR  33   0.253  -0.722   6.353
    3   HG21  THR  33          HG22      THR  33  -2.965  -1.209   6.679
    4   HG22  THR  33          HG23      THR  33  -1.420  -2.050   6.566
    5   HG23  THR  33           HXT      THR  33  -2.201  -1.848   8.134
    6    HA   THR  33           HB1      THR  33  -2.783   1.268   6.626
    7    HB   THR  33          HG12      THR  33  -1.469   0.251   8.381

  No H/Q in entry =           7
  In of MODEL   28
    1    H    GLY  34           H        GLY  34  -0.988   2.669   4.627
    2    HA2  GLY  34           HA3      GLY  34  -0.378   4.937   6.080
    3    HA3  GLY  34           HXT      GLY  34   0.372   4.517   4.549

  No H/Q in entry =           3
  In of MODEL   28
    1    H    ARG  35           H        ARG  35   1.481   2.015   5.781
    2    HB2  ARG  35           HG2      ARG  35   2.163   0.662   7.554
    3    HB3  ARG  35           HG3      ARG  35   3.907   0.532   7.743
    4    HG2  ARG  35           HD2      ARG  35   2.798   0.711   9.896
    5    HD2  ARG  35           HD3      ARG  35   2.004   3.247  10.275
    6    HG3  ARG  35           HD3      ARG  35   3.834   2.109   9.599
    7    HE   ARG  35          HH12      ARG  35   0.539   0.826   9.797
    8   HH11  ARG  35          HH21      ARG  35   0.267   4.240  10.470
    9   HH12  ARG  35          HH22      ARG  35  -1.310   4.103  11.171
   10    HD3  ARG  35           HXT      ARG  35   1.528   3.037   8.591
   11   HH21  ARG  35           HXT      ARG  35  -1.536   0.645  10.718
   12   HH22  ARG  35           H1       ARG  35  -2.334   2.063  11.313
   13    HA   ARG  35           HB1      ARG  35   3.567   3.240   7.458

  No H/Q in entry =          13
  In of MODEL   28
    1    H    SER  36           H        SER  36   2.946   1.261   4.635
    2    HG   SER  36           HXT      SER  36   5.442  -0.354   5.946
    3    HA   SER  36           HB1      SER  36   5.576   1.867   3.609
    4    HB2  SER  36           HG2      SER  36   4.768  -1.028   3.974
    5    HB3  SER  36           HG3      SER  36   6.264  -0.437   3.251

  No H/Q in entry =           5
  In of MODEL   28
    1    H    CYS  37           H        CYS  37   5.843   1.050   1.355
    2    HA   CYS  37           HB1      CYS  37   3.490   1.618  -0.152
    3    HB2  CYS  37           HG2      CYS  37   6.052   0.455  -1.239
    4    HB3  CYS  37           HG3      CYS  37   4.870   1.448  -2.084

  No H/Q in entry =           4
  In of MODEL   28
    1    H    GLU  38           H        GLU  38   5.059  -1.285   0.929
    2    HB2  GLU  38           HG2      GLU  38   5.135  -3.309   1.818
    3    HB3  GLU  38           HG3      GLU  38   4.253  -4.692   1.185
    4    HA   GLU  38           HB1      GLU  38   3.978  -3.106  -0.924
    5    HG2  GLU  38           HD2      GLU  38   6.450  -3.393  -0.381
    6    HG3  GLU  38           HD3      GLU  38   6.786  -4.610   0.850

  No H/Q in entry =           6
  In of MODEL   28
    1    H    CYS  39           H        CYS  39   2.301  -4.718  -0.521
    2    HA   CYS  39           HB1      CYS  39   0.054  -3.568   0.997
    3    HB2  CYS  39           HG2      CYS  39   0.036  -5.347  -1.448
    4    HB3  CYS  39           HG3      CYS  39  -1.405  -4.866  -0.558

  No H/Q in entry =           4
  In of MODEL   28
    1    HB2  PRO  40           HG2      PRO  40  -0.993  -5.906   5.116
    2    HB3  PRO  40           HG3      PRO  40   0.551  -6.552   5.682
    3    HG2  PRO  40           HD2      PRO  40   0.195  -3.928   5.433
    4    HD2  PRO  40           HD3      PRO  40  -0.438  -3.650   3.236
    5    HG3  PRO  40           HD3      PRO  40   1.739  -4.682   4.992
    6    HD3  PRO  40           HXT      PRO  40   1.318  -3.653   2.977
    7    HA   PRO  40           HB1      PRO  40   1.204  -7.208   3.570

  No H/Q in entry =           7
  In of MODEL   28
    1    H    SER  41           H        SER  41   0.195  -9.161   3.815
    2    HG   SER  41           HXT      SER  41   0.264 -10.936   4.793
    3    HA   SER  41           HB1      SER  41  -1.946  -9.817   2.138
    4    HB2  SER  41           HG2      SER  41  -1.982 -11.982   3.442
    5    HB3  SER  41           HG3      SER  41  -0.408 -11.536   2.784

  No H/Q in entry =           5
  In of MODEL   28
    1    H    TYR  42           H        TYR  42  -1.877  -8.699   5.430
    2    HD1  TYR  42           HD2      TYR  42  -2.847  -6.605   8.639
    3    HD2  TYR  42           HE1      TYR  42  -1.194 -10.273   7.256
    4    HE1  TYR  42           HE2      TYR  42  -0.609  -5.844   9.315
    5    HE2  TYR  42           HH       TYR  42   1.049  -9.523   7.929
    6    HH   TYR  42           HXT      TYR  42   1.571  -6.848   9.926
    7    HA   TYR  42           HB1      TYR  42  -4.744  -9.242   5.729
    8    HB2  TYR  42           HG2      TYR  42  -4.276  -8.480   8.135
    9    HB3  TYR  42           HG3      TYR  42  -3.605 -10.027   7.630

  No H/Q in entry =           9
  In of MODEL   28
    1    HB2  PRO  43           HG2      PRO  43  -7.477  -4.884   3.740
    2    HB3  PRO  43           HG3      PRO  43  -6.123  -5.350   2.705
    3    HG2  PRO  43           HD2      PRO  43  -7.983  -7.083   4.286
    4    HD2  PRO  43           HD3      PRO  43  -6.340  -8.638   4.736
    5    HG3  PRO  43           HD3      PRO  43  -7.380  -7.304   2.632
    6    HD3  PRO  43           HXT      PRO  43  -5.351  -8.139   3.349
    7    HA   PRO  43           HB1      PRO  43  -4.882  -4.813   4.559

  No H/Q in entry =           7
  In of MODEL   28
    1    H    GLY  44           H        GLY  44  -4.724  -4.198   6.775
    2    HA2  GLY  44           HA3      GLY  44  -5.525  -3.618   8.879
    3    HA3  GLY  44           HXT      GLY  44  -7.061  -4.368   8.471

  No H/Q in entry =           3
  In of MODEL   29
    1    H1   ALA   1           H1       ALA   1  19.840   4.764  -0.679
    2    H2   ALA   1           H2       ALA   1  19.760   3.079  -0.994
    3    H3   ALA   1           H3       ALA   1  18.816   4.173  -1.920
    4    HA   ALA   1           HB1      ALA   1  17.397   3.158  -0.413
    5    HB1  ALA   1           HB2      ALA   1  19.538   3.801   1.595
    6    HB2  ALA   1           HB3      ALA   1  18.869   2.225   1.170
    7    HB3  ALA   1           HXT      ALA   1  17.890   3.387   2.066

  No H/Q in entry =           7
  In of MODEL   29
    1    H    MET   2           H        MET   2  16.425   5.020  -1.476
    2    HB2  MET   2           HG2      MET   2  14.751   8.190  -1.824
    3    HB3  MET   2           HG3      MET   2  16.025   7.318  -2.665
    4    HE1  MET   2           HE2      MET   2  15.102   4.213  -4.164
    5    HE2  MET   2           HE3      MET   2  14.971   4.850  -5.803
    6    HE3  MET   2           HXT      MET   2  16.167   5.516  -4.692
    7    HA   MET   2           HB1      MET   2  16.587   7.616  -0.305
    8    HG2  MET   2           HD2      MET   2  14.563   5.232  -2.169
    9    HG3  MET   2           HD3      MET   2  13.278   6.415  -1.935

  No H/Q in entry =           9
  In of MODEL   29
    1    H    ASP   3           H        ASP   3  14.597   8.769   0.482
    2    HA   ASP   3           HB1      ASP   3  13.278   7.086   2.482
    3    HB2  ASP   3           HG2      ASP   3  14.530   9.453   2.807
    4    HB3  ASP   3           HG3      ASP   3  12.889  10.025   2.520

  No H/Q in entry =           4
  In of MODEL   29
    1    H    CYS   4           H        CYS   4  12.389   6.876  -0.196
    2    HA   CYS   4           HB1      CYS   4   9.784   8.240  -0.117
    3    HB2  CYS   4           HG2      CYS   4  11.522   7.277  -2.349
    4    HB3  CYS   4           HG3      CYS   4   9.780   7.333  -2.596

  No H/Q in entry =           4
  In of MODEL   29
    1    H    THR   5           H        THR   5  11.364   5.121  -0.442
    2    HG1  THR   5          HG21      THR   5   9.577   4.675   2.682
    3   HG21  THR   5          HG22      THR   5   8.222   1.770   0.434
    4   HG22  THR   5          HG23      THR   5   9.185   1.627   1.904
    5   HG23  THR   5           HXT      THR   5   7.571   2.334   1.973
    6    HA   THR   5           HB1      THR   5  10.610   2.988  -0.209
    7    HB   THR   5          HG12      THR   5   8.246   4.322   1.124

  No H/Q in entry =           7
  In of MODEL   29
    1    H    THR   6           H        THR   6  10.055   1.915  -1.979
    2    HG1  THR   6          HG21      THR   6  11.210   1.559  -4.878
    3   HG21  THR   6          HG22      THR   6   8.247   2.898  -5.725
    4   HG22  THR   6          HG23      THR   6   9.611   2.087  -6.496
    5   HG23  THR   6           HXT      THR   6   8.113   1.205  -6.200
    6    HA   THR   6           HB1      THR   6   7.842   2.867  -3.621
    7    HB   THR   6          HG12      THR   6   9.353   0.462  -4.447

  No H/Q in entry =           7
  In of MODEL   29
    1    H    GLY   7           H        GLY   7   6.285   1.312  -4.507
    2    HA2  GLY   7           HA3      GLY   7   5.294  -0.409  -2.386
    3    HA3  GLY   7           HXT      GLY   7   5.736  -1.229  -3.876

  No H/Q in entry =           3
  In of MODEL   29
    1    HB2  PRO   8           HG2      PRO   8  -0.041  -1.796  -3.928
    2    HB3  PRO   8           HG3      PRO   8   1.051  -2.574  -5.079
    3    HG2  PRO   8           HD2      PRO   8   1.332  -2.258  -2.116
    4    HD2  PRO   8           HD3      PRO   8   3.624  -2.031  -2.234
    5    HG3  PRO   8           HD3      PRO   8   1.673  -3.674  -3.129
    6    HD3  PRO   8           HXT      PRO   8   3.722  -2.857  -3.803
    7    HA   PRO   8           HB1      PRO   8   1.717  -0.416  -5.481

  No H/Q in entry =           7
  In of MODEL   29
    1    H    CYS   9           H        CYS   9   2.084   0.203  -2.059
    2    HA   CYS   9           HB1      CYS   9  -0.228   2.001  -2.070
    3    HB2  CYS   9           HG2      CYS   9   0.077   0.339  -0.211
    4    HB3  CYS   9           HG3      CYS   9   1.521   1.224   0.269

  No H/Q in entry =           4
  In of MODEL   29
    1    H    CYS  10           H        CYS  10   2.202   2.655  -3.522
    2    HA   CYS  10           HB1      CYS  10   2.576   5.313  -2.503
    3    HB2  CYS  10           HG2      CYS  10   4.701   3.242  -2.202
    4    HB3  CYS  10           HG3      CYS  10   5.192   4.871  -2.652

  No H/Q in entry =           4
  In of MODEL   29
    1    H    ARG  11           H        ARG  11   2.183   6.356  -4.343
    2    HB2  ARG  11           HG2      ARG  11   2.656   7.991  -7.456
    3    HB3  ARG  11           HG3      ARG  11   1.171   7.197  -6.955
    4    HG2  ARG  11           HD2      ARG  11   2.773   8.207  -4.729
    5    HD2  ARG  11           HD3      ARG  11  -0.071   8.207  -5.626
    6    HG3  ARG  11           HD3      ARG  11   2.218   9.457  -5.843
    7    HE   ARG  11          HH12      ARG  11   0.224   9.628  -3.201
    8   HH11  ARG  11          HH21      ARG  11   0.442  10.049  -6.658
    9   HH12  ARG  11          HH22      ARG  11   0.051  11.735  -6.603
   10    HD3  ARG  11           HXT      ARG  11   0.633   7.595  -4.131
   11   HH21  ARG  11           HXT      ARG  11  -0.291  11.846  -3.127
   12   HH22  ARG  11           H1       ARG  11  -0.365  12.756  -4.599
   13    HA   ARG  11           HB1      ARG  11   2.582   5.398  -6.921

  No H/Q in entry =          13
  In of MODEL   29
    1    H    GLN  12           H        GLN  12   4.413   8.239  -5.836
    2    HB2  GLN  12           HG2      GLN  12   5.510   9.288  -7.903
    3    HB3  GLN  12           HG3      GLN  12   6.790   9.950  -6.896
    4   HE21  GLN  12          HE22      GLN  12   8.585  10.931  -9.593
    5   HE22  GLN  12           HXT      GLN  12  10.095  10.932  -8.753
    6    HA   GLN  12           HB1      GLN  12   6.813   7.025  -7.035
    7    HG2  GLN  12           HD2      GLN  12   7.570   7.845  -8.812
    8    HG3  GLN  12           HD3      GLN  12   7.096   9.403  -9.488

  No H/Q in entry =           8
  In of MODEL   29
    1    H    CYS  13           H        CYS  13   5.441   8.526  -4.261
    2    HA   CYS  13           HB1      CYS  13   7.747   7.965  -2.690
    3    HB2  CYS  13           HG2      CYS  13   8.296  10.167  -3.896
    4    HB3  CYS  13           HG3      CYS  13   7.070  10.894  -2.864

  No H/Q in entry =           4
  In of MODEL   29
    1    H    LYS  14           H        LYS  14   4.735   9.811  -2.935
    2    HB2  LYS  14           HG2      LYS  14   2.802  10.729  -2.519
    3    HB3  LYS  14           HG3      LYS  14   1.835  10.381  -1.092
    4    HG2  LYS  14           HG3      LYS  14   3.801  11.823   0.032
    5    HG3  LYS  14           HD2      LYS  14   3.785  12.533  -1.584
    6    HD2  LYS  14           HD3      LYS  14   1.136  12.131  -0.373
    7    HE2  LYS  14           HE3      LYS  14   2.568  14.133  -2.033
    8    HE3  LYS  14           HZ1      LYS  14   0.990  13.384  -2.275
    9    HZ1  LYS  14           HZ2      LYS  14   1.293  15.168   0.017
   10    HZ2  LYS  14           HZ3      LYS  14   1.252  15.882  -1.517
   11    HD3  LYS  14           HXT      LYS  14   2.164  13.304   0.453
   12    HZ3  LYS  14           HXT      LYS  14  -0.041  14.924  -0.994
   13    HA   LYS  14           HB1      LYS  14   4.236   9.734  -0.111

  No H/Q in entry =          13
  In of MODEL   29
    1    H    LEU  15           H        LEU  15   2.521   8.610   0.934
    2   HD11  LEU  15          HD12      LEU  15   2.011   5.530   4.305
    3   HD12  LEU  15          HD13      LEU  15   2.282   7.093   5.076
    4   HD13  LEU  15          HD21      LEU  15   0.707   6.715   4.377
    5   HD21  LEU  15          HD22      LEU  15   4.314   6.847   2.590
    6   HD22  LEU  15          HD23      LEU  15   3.800   8.529   2.462
    7   HD23  LEU  15           HXT      LEU  15   3.951   7.772   4.047
    8    HG   LEU  15           HXT      LEU  15   1.618   8.028   2.728
    9    HA   LEU  15           HB1      LEU  15   1.954   6.016  -0.317
   10    HB2  LEU  15           HG2      LEU  15   1.257   5.453   2.107
   11    HB3  LEU  15           HG3      LEU  15   2.961   5.578   1.717

  No H/Q in entry =          11
  In of MODEL   29
    1    H    LYS  16           H        LYS  16  -0.120   5.185  -0.431
    2    HB2  LYS  16           HG2      LYS  16  -1.936   4.049  -0.717
    3    HB3  LYS  16           HG3      LYS  16  -3.558   4.683  -0.479
    4    HG2  LYS  16           HG3      LYS  16  -3.758   5.368  -2.630
    5    HG3  LYS  16           HD2      LYS  16  -2.036   5.713  -2.798
    6    HD2  LYS  16           HD3      LYS  16  -1.651   3.222  -2.756
    7    HE2  LYS  16           HE3      LYS  16  -3.216   4.551  -4.942
    8    HE3  LYS  16           HZ1      LYS  16  -1.487   4.212  -4.871
    9    HZ1  LYS  16           HZ2      LYS  16  -3.553   2.088  -4.982
   10    HZ2  LYS  16           HZ3      LYS  16  -2.805   2.725  -6.359
   11    HD3  LYS  16           HXT      LYS  16  -3.400   3.029  -2.884
   12    HZ3  LYS  16           HXT      LYS  16  -1.884   1.916  -5.193
   13    HA   LYS  16           HB1      LYS  16  -2.209   6.990  -0.889

  No H/Q in entry =          13
  In of MODEL   29
    1    HB2  PRO  17           HG2      PRO  17  -6.773   7.357   2.514
    2    HB3  PRO  17           HG3      PRO  17  -5.894   8.780   1.944
    3    HG2  PRO  17           HD2      PRO  17  -6.613   6.279   0.467
    4    HD2  PRO  17           HD3      PRO  17  -4.675   6.317  -0.789
    5    HG3  PRO  17           HD3      PRO  17  -6.689   7.964  -0.081
    6    HD3  PRO  17           HXT      PRO  17  -4.422   8.054  -0.523
    7    HA   PRO  17           HB1      PRO  17  -4.119   7.783   2.994

  No H/Q in entry =           7
  In of MODEL   29
    1    H    ALA  18           H        ALA  18  -4.726   6.798   4.877
    2    HA   ALA  18           HB1      ALA  18  -4.383   4.041   5.153
    3    HB1  ALA  18           HB2      ALA  18  -5.310   6.237   6.904
    4    HB2  ALA  18           HB3      ALA  18  -4.029   5.050   7.150
    5    HB3  ALA  18           HXT      ALA  18  -5.714   4.594   7.403

  No H/Q in entry =           5
  In of MODEL   29
    1    H    GLY  19           H        GLY  19  -5.868   2.371   5.698
    2    HA2  GLY  19           HA3      GLY  19  -8.675   2.685   5.656
    3    HA3  GLY  19           HXT      GLY  19  -7.810   1.164   5.487

  No H/Q in entry =           3
  In of MODEL   29
    1    H    THR  20           H        THR  20  -6.345   2.239   3.112
    2    HG1  THR  20          HG21      THR  20  -8.708   4.448   1.113
    3   HG21  THR  20          HG22      THR  20  -6.772   2.709  -1.278
    4   HG22  THR  20          HG23      THR  20  -8.374   3.389  -0.991
    5   HG23  THR  20           HXT      THR  20  -6.984   4.457  -1.185
    6    HA   THR  20           HB1      THR  20  -8.549   1.985   1.173
    7    HB   THR  20          HG12      THR  20  -6.013   3.604   0.861

  No H/Q in entry =           7
  In of MODEL   29
    1    H    THR  21           H        THR  21  -7.980   0.972  -0.861
    2    HG1  THR  21          HG21      THR  21  -9.200  -0.405  -1.615
    3   HG21  THR  21          HG22      THR  21  -8.345  -2.568  -0.936
    4   HG22  THR  21          HG23      THR  21  -8.731  -2.812  -2.640
    5   HG23  THR  21           HXT      THR  21  -7.124  -3.212  -2.033
    6    HA   THR  21           HB1      THR  21  -6.325  -1.329  -0.464
    7    HB   THR  21          HG12      THR  21  -6.973  -1.145  -3.198

  No H/Q in entry =           7
  In of MODEL   29
    1    H    CYS  22           H        CYS  22  -4.396  -1.863  -1.441
    2    HA   CYS  22           HB1      CYS  22  -3.000   0.343  -2.808
    3    HB2  CYS  22           HG2      CYS  22  -0.925  -0.411  -1.785
    4    HB3  CYS  22           HG3      CYS  22  -2.121  -0.079  -0.537

  No H/Q in entry =           4
  In of MODEL   29
    1    H    TRP  23           H        TRP  23  -3.357  -3.163  -2.534
    2    HE1  TRP  23           HE3      TRP  23  -0.778  -7.393  -7.517
    3    HE3  TRP  23           HZ2      TRP  23  -2.556  -8.088  -2.523
    4    HZ2  TRP  23           HZ3      TRP  23  -0.934 -10.114  -6.781
    5    HZ3  TRP  23           HH2      TRP  23  -2.363 -10.528  -2.783
    6    HH2  TRP  23           HXT      TRP  23  -1.569 -11.518  -4.868
    7    HA   TRP  23           HB1      TRP  23  -1.879  -3.539  -5.023
    8    HB2  TRP  23           HG2      TRP  23  -1.383  -5.019  -3.103
    9    HB3  TRP  23           HG3      TRP  23  -3.042  -5.604  -3.147
   10    HD1  TRP  23           HD2      TRP  23  -1.254  -5.096  -6.459

  No H/Q in entry =          10
  In of MODEL   29
    1    H    LYS  24           H        LYS  24  -4.821  -5.052  -3.742
    2    HB2  LYS  24           HG2      LYS  24  -6.695  -3.035  -5.011
    3    HB3  LYS  24           HG3      LYS  24  -6.426  -3.409  -6.708
    4    HG2  LYS  24           HG3      LYS  24  -8.568  -4.956  -6.239
    5    HG3  LYS  24           HD2      LYS  24  -8.861  -3.666  -5.070
    6    HD2  LYS  24           HD3      LYS  24  -8.940  -2.021  -6.738
    7    HE2  LYS  24           HE3      LYS  24 -10.866  -3.659  -6.749
    8    HE3  LYS  24           HZ1      LYS  24 -10.652  -2.697  -8.211
    9    HZ1  LYS  24           HZ2      LYS  24  -9.296  -5.272  -8.143
   10    HZ2  LYS  24           HZ3      LYS  24 -10.984  -5.319  -8.248
   11    HD3  LYS  24           HXT      LYS  24  -8.162  -3.067  -7.928
   12    HZ3  LYS  24           HXT      LYS  24 -10.086  -4.497  -9.422
   13    HA   LYS  24           HB1      LYS  24  -6.794  -5.625  -4.721

  No H/Q in entry =          13
  In of MODEL   29
    1    H    THR  25           H        THR  25  -6.506  -7.561  -5.680
    2    HG1  THR  25          HG21      THR  25  -3.645 -10.340  -8.337
    3   HG21  THR  25          HG22      THR  25  -5.688  -9.684  -5.681
    4   HG22  THR  25          HG23      THR  25  -4.479 -10.788  -6.337
    5   HG23  THR  25           HXT      THR  25  -3.971  -9.360  -5.437
    6    HA   THR  25           HB1      THR  25  -5.814  -7.537  -8.534
    7    HB   THR  25          HG12      THR  25  -3.823  -8.289  -7.363

  No H/Q in entry =           7
  In of MODEL   29
    1    H    SER  26           H        SER  26  -8.301  -7.488  -8.275
    2    HG   SER  26           HXT      SER  26 -10.062 -11.408 -10.728
    3    HA   SER  26           HB1      SER  26 -10.202  -8.580  -8.913
    4    HB2  SER  26           HG2      SER  26  -8.348 -10.338  -9.780
    5    HB3  SER  26           HG3      SER  26  -9.141 -11.321  -8.549

  No H/Q in entry =           5
  In of MODEL   29
    1    H    VAL  27           H        VAL  27  -8.491 -10.518  -6.481
    2    HB   VAL  27          HG12      VAL  27 -10.940 -12.420  -5.683
    3   HG11  VAL  27          HG12      VAL  27  -8.387 -12.561  -5.950
    4   HG12  VAL  27          HG13      VAL  27  -8.389 -13.145  -4.286
    5   HG13  VAL  27          HG21      VAL  27  -9.265 -14.033  -5.533
    6   HG21  VAL  27          HG22      VAL  27 -11.595 -11.911  -3.291
    7   HG22  VAL  27          HG23      VAL  27 -11.300 -13.607  -3.671
    8   HG23  VAL  27           HXT      VAL  27 -10.077 -12.670  -2.812
    9    HA   VAL  27           HB1      VAL  27 -10.798 -10.175  -4.698

  No H/Q in entry =           9
  In of MODEL   29
    1    H    SER  28           H        SER  28  -7.401 -11.123  -4.959
    2    HG   SER  28           HXT      SER  28  -6.015 -13.136  -3.083
    3    HA   SER  28           HB1      SER  28  -6.901 -10.788  -2.153
    4    HB2  SER  28           HG2      SER  28  -5.335 -11.576  -4.537
    5    HB3  SER  28           HG3      SER  28  -4.420 -10.800  -3.245

  No H/Q in entry =           5
  In of MODEL   29
    1    H    SER  29           H        SER  29  -7.765  -8.599  -1.983
    2    HG   SER  29           HXT      SER  29  -9.477  -6.803  -1.563
    3    HA   SER  29           HB1      SER  29  -5.982  -6.523  -3.049
    4    HB2  SER  29           HG2      SER  29  -7.752  -4.965  -2.757
    5    HB3  SER  29           HG3      SER  29  -8.503  -6.411  -3.432

  No H/Q in entry =           5
  In of MODEL   29
    1    H    HIS  30           H        HIS  30  -4.423  -5.885  -1.726
    2    HD1  HIS  30           HD2      HIS  30  -0.494  -6.888   1.471
    3    HD2  HIS  30           HE1      HIS  30  -3.781  -8.470  -0.518
    4    HE1  HIS  30           HE2      HIS  30  -0.154  -9.379   1.488
    5    HE2  HIS  30           HXT      HIS  30  -2.112 -10.309   0.204
    6    HA   HIS  30           HB1      HIS  30  -4.647  -6.275   1.135
    7    HB2  HIS  30           HG2      HIS  30  -2.443  -5.427  -0.717
    8    HB3  HIS  30           HG3      HIS  30  -2.287  -5.171   1.017

  No H/Q in entry =           8
  In of MODEL   29
    1    H    TYR  31           H        TYR  31  -5.048  -4.748   2.622
    2    HD1  TYR  31           HD2      TYR  31  -8.604  -1.321   4.430
    3    HD2  TYR  31           HE1      TYR  31  -7.452  -4.001   1.333
    4    HE1  TYR  31           HE2      TYR  31 -10.861  -1.169   3.468
    5    HE2  TYR  31           HH       TYR  31  -9.706  -3.856   0.361
    6    HH   TYR  31           HXT      TYR  31 -11.619  -2.167   0.391
    7    HA   TYR  31           HB1      TYR  31  -5.712  -2.074   1.671
    8    HB2  TYR  31           HG2      TYR  31  -6.402  -3.710   4.056
    9    HB3  TYR  31           HG3      TYR  31  -6.374  -1.962   4.262

  No H/Q in entry =           9
  In of MODEL   29
    1    H    CYS  32           H        CYS  32  -4.918  -0.170   2.681
    2    HA   CYS  32           HB1      CYS  32  -2.246  -0.526   3.859
    3    HB2  CYS  32           HG2      CYS  32  -2.930   0.901   1.638
    4    HB3  CYS  32           HG3      CYS  32  -2.991   2.151   2.876

  No H/Q in entry =           4
  In of MODEL   29
    1    H    THR  33           H        THR  33  -1.611   0.749   5.632
    2    HG1  THR  33          HG21      THR  33  -2.393   0.888  10.214
    3   HG21  THR  33          HG22      THR  33  -0.328   1.229   7.443
    4   HG22  THR  33          HG23      THR  33  -0.316   0.625   9.100
    5   HG23  THR  33           HXT      THR  33  -0.670  -0.471   7.764
    6    HA   THR  33           HB1      THR  33  -3.870   1.794   7.204
    7    HB   THR  33          HG12      THR  33  -2.803  -0.077   8.291

  No H/Q in entry =           7
  In of MODEL   29
    1    H    GLY  34           H        GLY  34  -2.168   3.202   5.148
    2    HA2  GLY  34           HA3      GLY  34  -2.066   5.718   6.307
    3    HA3  GLY  34           HXT      GLY  34  -1.169   5.250   4.872

  No H/Q in entry =           3
  In of MODEL   29
    1    H    ARG  35           H        ARG  35   0.386   3.208   6.276
    2    HB2  ARG  35           HG2      ARG  35   1.333   2.084   8.163
    3    HB3  ARG  35           HG3      ARG  35   2.964   2.534   8.641
    4    HG2  ARG  35           HD2      ARG  35   2.247   3.791  10.420
    5    HD2  ARG  35           HD3      ARG  35  -0.202   2.117  10.428
    6    HG3  ARG  35           HD3      ARG  35   0.663   4.098   9.703
    7    HE   ARG  35          HH12      ARG  35   1.527   3.166  12.393
    8   HH11  ARG  35          HH21      ARG  35  -0.348   0.312  11.673
    9   HH12  ARG  35          HH22      ARG  35  -0.578  -0.110  13.336
   10    HD3  ARG  35           HXT      ARG  35   1.353   1.289  10.361
   11   HH21  ARG  35           HXT      ARG  35   1.227   2.612  14.582
   12   HH22  ARG  35           H1       ARG  35   0.316   1.196  14.988
   13    HA   ARG  35           HB1      ARG  35   2.086   4.951   7.933

  No H/Q in entry =          13
  In of MODEL   29
    1    H    SER  36           H        SER  36   2.526   1.915   6.153
    2    HG   SER  36           HXT      SER  36   4.466  -0.383   4.445
    3    HA   SER  36           HB1      SER  36   4.882   3.117   4.853
    4    HB2  SER  36           HG2      SER  36   6.061   1.079   5.021
    5    HB3  SER  36           HG3      SER  36   5.289   1.268   6.595

  No H/Q in entry =           5
  In of MODEL   29
    1    H    CYS  37           H        CYS  37   5.454   2.117   2.752
    2    HA   CYS  37           HB1      CYS  37   3.163   2.021   1.059
    3    HB2  CYS  37           HG2      CYS  37   5.978   1.256   0.288
    4    HB3  CYS  37           HG3      CYS  37   4.701   1.872  -0.756

  No H/Q in entry =           4
  In of MODEL   29
    1    H    GLU  38           H        GLU  38   5.185  -0.365   2.582
    2    HB2  GLU  38           HG2      GLU  38   5.949  -2.408   3.422
    3    HB3  GLU  38           HG3      GLU  38   5.454  -3.934   2.701
    4    HA   GLU  38           HB1      GLU  38   4.240  -2.543   0.941
    5    HG2  GLU  38           HD2      GLU  38   6.491  -3.038   0.543
    6    HG3  GLU  38           HD3      GLU  38   7.253  -1.824   1.569

  No H/Q in entry =           6
  In of MODEL   29
    1    H    CYS  39           H        CYS  39   2.080  -2.851   1.148
    2    HA   CYS  39           HB1      CYS  39   0.566  -2.549   3.475
    3    HB2  CYS  39           HG2      CYS  39   0.154  -4.031   0.905
    4    HB3  CYS  39           HG3      CYS  39  -0.995  -4.241   2.222

  No H/Q in entry =           4
  In of MODEL   29
    1    HB2  PRO  40           HG2      PRO  40  -0.777  -6.438   7.267
    2    HB3  PRO  40           HG3      PRO  40   0.356  -5.120   7.587
    3    HG2  PRO  40           HD2      PRO  40  -2.180  -5.093   5.996
    4    HD2  PRO  40           HD3      PRO  40  -1.356  -3.567   4.482
    5    HG3  PRO  40           HD3      PRO  40  -1.580  -3.901   7.164
    6    HD3  PRO  40           HXT      PRO  40  -0.165  -2.926   5.632
    7    HA   PRO  40           HB1      PRO  40   1.528  -6.125   5.880

  No H/Q in entry =           7
  In of MODEL   29
    1    H    SER  41           H        SER  41   0.484  -8.300   6.544
    2    HG   SER  41           HXT      SER  41   1.350 -11.406   3.843
    3    HA   SER  41           HB1      SER  41  -0.591  -9.512   4.104
    4    HB2  SER  41           HG2      SER  41   0.944 -10.569   6.456
    5    HB3  SER  41           HG3      SER  41  -0.007 -11.671   5.460

  No H/Q in entry =           5
  In of MODEL   29
    1    H    TYR  42           H        TYR  42  -2.279  -7.969   5.887
    2    HD1  TYR  42           HD2      TYR  42  -1.470  -7.617   8.772
    3    HD2  TYR  42           HE1      TYR  42  -3.746 -11.185   9.214
    4    HE1  TYR  42           HE2      TYR  42   0.401  -8.653   9.985
    5    HE2  TYR  42           HH       TYR  42  -1.881 -12.230  10.430
    6    HH   TYR  42           HXT      TYR  42   0.468 -10.721  11.846
    7    HA   TYR  42           HB1      TYR  42  -4.208 -10.079   6.566
    8    HB2  TYR  42           HG2      TYR  42  -3.797  -7.617   8.267
    9    HB3  TYR  42           HG3      TYR  42  -4.809  -9.012   8.624

  No H/Q in entry =           9
  In of MODEL   29
    1    HB2  PRO  43           HG2      PRO  43  -7.839  -8.803   2.582
    2    HB3  PRO  43           HG3      PRO  43  -6.169  -8.522   2.075
    3    HG2  PRO  43           HD2      PRO  43  -7.283 -10.701   3.799
    4    HD2  PRO  43           HD3      PRO  43  -5.388 -10.797   5.107
    5    HG3  PRO  43           HD3      PRO  43  -6.089 -10.808   2.492
    6    HD3  PRO  43           HXT      PRO  43  -4.362 -10.092   3.841
    7    HA   PRO  43           HB1      PRO  43  -6.214  -7.001   3.798

  No H/Q in entry =           7
  In of MODEL   29
    1    H    GLY  44           H        GLY  44  -7.336  -5.951   5.447
    2    HA2  GLY  44           HA3      GLY  44  -9.517  -7.244   6.821
    3    HA3  GLY  44           HXT      GLY  44 -10.042  -6.107   5.589

  No H/Q in entry =           3
  In of MODEL   30
    1    H1   ALA   1           H1       ALA   1  11.934  10.470   5.783
    2    H2   ALA   1           H2       ALA   1  13.312   9.820   6.573
    3    H3   ALA   1           H3       ALA   1  12.172  10.752   7.456
    4    HA   ALA   1           HB1      ALA   1  12.830  12.695   6.565
    5    HB1  ALA   1           HB2      ALA   1  15.001  12.854   7.218
    6    HB2  ALA   1           HB3      ALA   1  14.648  11.247   7.852
    7    HB3  ALA   1           HXT      ALA   1  15.495  11.422   6.315

  No H/Q in entry =           7
  In of MODEL   30
    1    H    MET   2           H        MET   2  14.669  10.276   4.691
    2    HB2  MET   2           HG2      MET   2  16.681  11.116   3.261
    3    HB3  MET   2           HG3      MET   2  16.396  11.060   1.527
    4    HE1  MET   2           HE2      MET   2  16.760  15.607   2.065
    5    HE2  MET   2           HE3      MET   2  18.436  15.319   2.534
    6    HE3  MET   2           HXT      MET   2  18.052  15.789   0.878
    7    HA   MET   2           HB1      MET   2  13.940  11.724   2.244
    8    HG2  MET   2           HD2      MET   2  15.285  13.417   2.027
    9    HG3  MET   2           HD3      MET   2  16.416  13.368   3.378

  No H/Q in entry =           9
  In of MODEL   30
    1    H    ASP   3           H        ASP   3  12.912   9.279   3.392
    2    HA   ASP   3           HB1      ASP   3  13.914   7.268   1.495
    3    HB2  ASP   3           HG2      ASP   3  13.779   6.838   4.052
    4    HB3  ASP   3           HG3      ASP   3  12.049   6.665   3.773

  No H/Q in entry =           4
  In of MODEL   30
    1    H    CYS   4           H        CYS   4  12.709   6.726  -0.198
    2    HA   CYS   4           HB1      CYS   4   9.936   7.679  -0.296
    3    HB2  CYS   4           HG2      CYS   4  12.042   7.192  -2.346
    4    HB3  CYS   4           HG3      CYS   4  10.364   6.963  -2.827

  No H/Q in entry =           4
  In of MODEL   30
    1    H    THR   5           H        THR   5  11.928   4.812  -0.598
    2    HG1  THR   5          HG21      THR   5   9.588   4.473   1.698
    3   HG21  THR   5          HG22      THR   5  10.682   1.034   0.755
    4   HG22  THR   5          HG23      THR   5   9.456   1.353   1.982
    5   HG23  THR   5           HXT      THR   5   8.972   0.898   0.349
    6    HA   THR   5           HB1      THR   5  11.436   2.592  -0.645
    7    HB   THR   5          HG12      THR   5   8.655   3.168   0.307

  No H/Q in entry =           7
  In of MODEL   30
    1    H    THR   6           H        THR   6   9.784   0.939  -1.512
    2    HG1  THR   6          HG21      THR   6  10.904  -0.302  -3.034
    3   HG21  THR   6          HG22      THR   6  11.378   1.848  -4.022
    4   HG22  THR   6          HG23      THR   6  11.450   0.975  -5.552
    5   HG23  THR   6           HXT      THR   6  10.330   2.323  -5.358
    6    HA   THR   6           HB1      THR   6   8.318   2.036  -3.808
    7    HB   THR   6          HG12      THR   6   9.171   0.194  -5.222

  No H/Q in entry =           7
  In of MODEL   30
    1    H    GLY   7           H        GLY   7   6.566   0.771  -4.541
    2    HA2  GLY   7           HA3      GLY   7   5.367  -0.831  -2.448
    3    HA3  GLY   7           HXT      GLY   7   5.754  -1.721  -3.913

  No H/Q in entry =           3
  In of MODEL   30
    1    HB2  PRO   8           HG2      PRO   8   0.563  -2.128  -3.972
    2    HB3  PRO   8           HG3      PRO   8   0.521  -2.266  -5.733
    3    HG2  PRO   8           HD2      PRO   8   1.801  -4.078  -4.262
    4    HD2  PRO   8           HD3      PRO   8   3.300  -2.825  -3.036
    5    HG3  PRO   8           HD3      PRO   8   2.465  -3.529  -5.813
    6    HD3  PRO   8           HXT      PRO   8   4.290  -3.041  -4.494
    7    HA   PRO   8           HB1      PRO   8   2.072  -0.593  -6.033

  No H/Q in entry =           7
  In of MODEL   30
    1    H    CYS   9           H        CYS   9   2.166  -0.236  -2.544
    2    HA   CYS   9           HB1      CYS   9  -0.141   1.342  -2.225
    3    HB2  CYS   9           HG2      CYS   9   1.365   0.197  -0.443
    4    HB3  CYS   9           HG3      CYS   9   2.304   1.684  -0.513

  No H/Q in entry =           4
  In of MODEL   30
    1    H    CYS  10           H        CYS  10   3.256   2.236  -2.746
    2    HA   CYS  10           HB1      CYS  10   2.424   5.023  -3.141
    3    HB2  CYS  10           HG2      CYS  10   4.893   5.496  -3.038
    4    HB3  CYS  10           HG3      CYS  10   4.210   4.830  -1.559

  No H/Q in entry =           4
  In of MODEL   30
    1    H    ARG  11           H        ARG  11   3.043   6.184  -4.989
    2    HB2  ARG  11           HG2      ARG  11   1.854   6.756  -7.301
    3    HB3  ARG  11           HG3      ARG  11   3.346   7.613  -6.941
    4    HG2  ARG  11           HD2      ARG  11   4.221   6.952  -9.152
    5    HD2  ARG  11           HD3      ARG  11   2.304   8.226 -10.461
    6    HG3  ARG  11           HD3      ARG  11   2.669   6.190  -9.507
    7    HE   ARG  11          HH12      ARG  11   4.546   9.120  -9.239
    8   HH11  ARG  11          HH21      ARG  11   1.315  10.404  -9.544
    9   HH12  ARG  11          HH22      ARG  11   1.831  12.055  -9.485
   10    HD3  ARG  11           HXT      ARG  11   1.757   8.579  -8.823
   11   HH21  ARG  11           HXT      ARG  11   5.227  11.292  -9.161
   12   HH22  ARG  11           H1       ARG  11   4.052  12.560  -9.268
   13    HA   ARG  11           HB1      ARG  11   3.044   4.639  -7.396

  No H/Q in entry =          13
  In of MODEL   30
    1    H    GLN  12           H        GLN  12   5.253   7.329  -6.679
    2    HB2  GLN  12           HG2      GLN  12   6.826   8.295  -8.566
    3    HB3  GLN  12           HG3      GLN  12   8.455   7.637  -8.636
    4   HE21  GLN  12          HE22      GLN  12   8.371   7.556 -11.754
    5   HE22  GLN  12           HXT      GLN  12   9.564   6.326 -11.976
    6    HA   GLN  12           HB1      GLN  12   7.512   5.601  -7.411
    7    HG2  GLN  12           HD2      GLN  12   6.357   5.818  -9.574
    8    HG3  GLN  12           HD3      GLN  12   6.555   7.284 -10.534

  No H/Q in entry =           8
  In of MODEL   30
    1    H    CYS  13           H        CYS  13   6.242   7.316  -5.012
    2    HA   CYS  13           HB1      CYS  13   8.557   7.496  -3.489
    3    HB2  CYS  13           HG2      CYS  13   8.121   9.789  -5.240
    4    HB3  CYS  13           HG3      CYS  13   8.211  10.251  -3.544

  No H/Q in entry =           4
  In of MODEL   30
    1    H    LYS  14           H        LYS  14   5.401   8.914  -4.154
    2    HB2  LYS  14           HG2      LYS  14   4.271  10.966  -3.231
    3    HB3  LYS  14           HG3      LYS  14   2.914   9.873  -3.465
    4    HG2  LYS  14           HG3      LYS  14   1.875  10.534  -1.573
    5    HG3  LYS  14           HD2      LYS  14   3.387  10.800  -0.704
    6    HD2  LYS  14           HD3      LYS  14   3.539  12.738  -2.589
    7    HE2  LYS  14           HE3      LYS  14   2.644  12.618   0.215
    8    HE3  LYS  14           HZ1      LYS  14   3.920  13.580  -0.529
    9    HZ1  LYS  14           HZ2      LYS  14   1.021  14.154  -0.812
   10    HZ2  LYS  14           HZ3      LYS  14   2.035  14.909   0.313
   11    HD3  LYS  14           HXT      LYS  14   1.793  12.651  -2.347
   12    HZ3  LYS  14           HXT      LYS  14   2.305  15.121  -1.344
   13    HA   LYS  14           HB1      LYS  14   4.929   9.343  -1.306

  No H/Q in entry =          13
  In of MODEL   30
    1    H    LEU  15           H        LEU  15   3.443   8.236  -0.103
    2   HD11  LEU  15          HD12      LEU  15   1.029   5.638   2.458
    3   HD12  LEU  15          HD13      LEU  15   1.651   6.642   3.767
    4   HD13  LEU  15          HD21      LEU  15   0.932   7.395   2.343
    5   HD21  LEU  15          HD22      LEU  15   4.780   5.673   2.409
    6   HD22  LEU  15          HD23      LEU  15   4.338   6.931   3.563
    7   HD23  LEU  15           HXT      LEU  15   3.552   5.354   3.634
    8    HG   LEU  15           HXT      LEU  15   3.112   7.622   1.768
    9    HA   LEU  15           HB1      LEU  15   2.379   5.788  -1.332
   10    HB2  LEU  15           HG2      LEU  15   2.267   4.880   0.924
   11    HB3  LEU  15           HG3      LEU  15   3.888   5.431   0.548

  No H/Q in entry =          11
  In of MODEL   30
    1    H    LYS  16           H        LYS  16   0.238   5.152  -0.980
    2    HB2  LYS  16           HG2      LYS  16  -1.820   4.210  -0.672
    3    HB3  LYS  16           HG3      LYS  16  -3.274   5.184  -0.505
    4    HG2  LYS  16           HG3      LYS  16  -3.377   5.666  -2.718
    5    HG3  LYS  16           HD2      LYS  16  -1.625   5.626  -2.922
    6    HD2  LYS  16           HD3      LYS  16  -1.908   3.078  -2.451
    7    HE2  LYS  16           HE3      LYS  16  -1.106   3.770  -4.561
    8    HE3  LYS  16           HZ1      LYS  16  -2.469   2.698  -4.881
    9    HZ1  LYS  16           HZ2      LYS  16  -3.780   4.934  -4.893
   10    HZ2  LYS  16           HZ3      LYS  16  -2.267   5.603  -5.241
   11    HD3  LYS  16           HXT      LYS  16  -3.587   3.370  -2.909
   12    HZ3  LYS  16           HXT      LYS  16  -2.932   4.435  -6.269
   13    HA   LYS  16           HB1      LYS  16  -1.683   7.186  -1.025

  No H/Q in entry =          13
  In of MODEL   30
    1    HB2  PRO  17           HG2      PRO  17  -5.424   7.694   2.537
    2    HB3  PRO  17           HG3      PRO  17  -4.729   9.195   3.158
    3    HG2  PRO  17           HD2      PRO  17  -5.546   9.024   0.631
    4    HD2  PRO  17           HD3      PRO  17  -4.362   7.228  -0.204
    5    HG3  PRO  17           HD3      PRO  17  -4.074   9.919   1.054
    6    HD3  PRO  17           HXT      PRO  17  -3.144   8.486  -0.493
    7    HA   PRO  17           HB1      PRO  17  -2.580   8.374   3.111

  No H/Q in entry =           7
  In of MODEL   30
    1    H    ALA  18           H        ALA  18  -2.774   7.456   5.106
    2    HA   ALA  18           HB1      ALA  18  -2.624   4.676   5.375
    3    HB1  ALA  18           HB2      ALA  18  -1.921   6.608   6.987
    4    HB2  ALA  18           HB3      ALA  18  -3.533   6.367   7.659
    5    HB3  ALA  18           HXT      ALA  18  -2.380   5.034   7.635

  No H/Q in entry =           5
  In of MODEL   30
    1    H    GLY  19           H        GLY  19  -4.238   3.358   4.783
    2    HA2  GLY  19           HA3      GLY  19  -6.914   3.907   5.909
    3    HA3  GLY  19           HXT      GLY  19  -6.256   2.295   5.672

  No H/Q in entry =           3
  In of MODEL   30
    1    H    THR  20           H        THR  20  -5.134   3.078   3.029
    2    HG1  THR  20          HG21      THR  20  -7.403   5.563   1.305
    3   HG21  THR  20          HG22      THR  20  -7.651   4.045  -0.733
    4   HG22  THR  20          HG23      THR  20  -6.472   5.294  -1.134
    5   HG23  THR  20           HXT      THR  20  -6.057   3.592  -1.336
    6    HA   THR  20           HB1      THR  20  -7.663   3.085   1.515
    7    HB   THR  20          HG12      THR  20  -4.998   4.218   0.641

  No H/Q in entry =           7
  In of MODEL   30
    1    H    THR  21           H        THR  21  -7.534   1.985  -0.602
    2    HG1  THR  21          HG21      THR  21  -8.583   1.302  -2.660
    3   HG21  THR  21          HG22      THR  21  -8.463  -1.490  -0.339
    4   HG22  THR  21          HG23      THR  21  -9.244  -1.681  -1.909
    5   HG23  THR  21           HXT      THR  21  -7.640  -2.361  -1.633
    6    HA   THR  21           HB1      THR  21  -6.265  -0.578  -0.295
    7    HB   THR  21          HG12      THR  21  -7.334  -0.390  -2.892

  No H/Q in entry =           7
  In of MODEL   30
    1    H    CYS  22           H        CYS  22  -4.671  -1.483  -1.580
    2    HA   CYS  22           HB1      CYS  22  -3.170   0.417  -3.259
    3    HB2  CYS  22           HG2      CYS  22  -1.117  -0.752  -2.596
    4    HB3  CYS  22           HG3      CYS  22  -1.961  -0.106  -1.192

  No H/Q in entry =           4
  In of MODEL   30
    1    H    TRP  23           H        TRP  23  -4.091  -2.962  -2.783
    2    HE1  TRP  23           HE3      TRP  23  -2.640  -7.441  -7.967
    3    HE3  TRP  23           HZ2      TRP  23  -2.913  -7.899  -2.648
    4    HZ2  TRP  23           HZ3      TRP  23  -1.924 -10.013  -7.054
    5    HZ3  TRP  23           HH2      TRP  23  -2.184 -10.244  -2.802
    6    HH2  TRP  23           HXT      TRP  23  -1.701 -11.278  -4.960
    7    HA   TRP  23           HB1      TRP  23  -3.163  -3.639  -5.463
    8    HB2  TRP  23           HG2      TRP  23  -2.827  -5.103  -3.358
    9    HB3  TRP  23           HG3      TRP  23  -4.519  -5.540  -3.571
   10    HD1  TRP  23           HD2      TRP  23  -3.404  -5.198  -6.961

  No H/Q in entry =          10
  In of MODEL   30
    1    H    LYS  24           H        LYS  24  -6.113  -4.343  -3.618
    2    HB2  LYS  24           HG2      LYS  24  -7.501  -2.029  -5.029
    3    HB3  LYS  24           HG3      LYS  24  -7.880  -2.715  -6.603
    4    HG2  LYS  24           HG3      LYS  24 -10.148  -3.287  -5.706
    5    HG3  LYS  24           HD2      LYS  24  -9.737  -2.352  -4.267
    6    HD2  LYS  24           HD3      LYS  24  -9.095  -0.574  -6.188
    7    HE2  LYS  24           HE3      LYS  24 -11.493  -1.083  -4.556
    8    HE3  LYS  24           HZ1      LYS  24 -10.476   0.353  -4.663
    9    HZ1  LYS  24           HZ2      LYS  24 -11.541   0.708  -6.911
   10    HZ2  LYS  24           HZ3      LYS  24 -12.677  -0.464  -6.465
   11    HD3  LYS  24           HXT      LYS  24 -10.399  -1.447  -6.996
   12    HZ3  LYS  24           HXT      LYS  24 -12.534   0.963  -5.566
   13    HA   LYS  24           HB1      LYS  24  -8.306  -4.440  -4.215

  No H/Q in entry =          13
  In of MODEL   30
    1    H    THR  25           H        THR  25  -7.903  -6.672  -4.816
    2    HG1  THR  25          HG21      THR  25  -6.913  -8.725  -4.660
    3   HG21  THR  25          HG22      THR  25  -5.617  -6.959  -7.155
    4   HG22  THR  25          HG23      THR  25  -5.285  -7.677  -5.579
    5   HG23  THR  25           HXT      THR  25  -4.856  -8.546  -7.052
    6    HA   THR  25           HB1      THR  25  -8.071  -7.105  -7.727
    7    HB   THR  25          HG12      THR  25  -6.974  -9.219  -7.448

  No H/Q in entry =           7
  In of MODEL   30
    1    H    SER  26           H        SER  26  -9.135  -9.315  -8.211
    2    HG   SER  26           HXT      SER  26 -13.279 -10.355  -9.025
    3    HA   SER  26           HB1      SER  26 -11.779  -9.221  -7.098
    4    HB2  SER  26           HG2      SER  26 -11.285  -9.713  -9.511
    5    HB3  SER  26           HG3      SER  26 -10.638 -11.274  -9.005

  No H/Q in entry =           5
  In of MODEL   30
    1    H    VAL  27           H        VAL  27  -8.941 -11.214  -6.701
    2    HB   VAL  27          HG12      VAL  27  -7.337 -12.741  -5.302
    3   HG11  VAL  27          HG12      VAL  27  -8.550 -14.441  -3.698
    4   HG12  VAL  27          HG13      VAL  27  -8.525 -15.464  -5.134
    5   HG13  VAL  27          HG21      VAL  27  -7.014 -14.846  -4.466
    6   HG21  VAL  27          HG22      VAL  27  -9.075 -14.115  -7.320
    7   HG22  VAL  27          HG23      VAL  27  -7.818 -12.905  -7.575
    8   HG23  VAL  27           HXT      VAL  27  -7.378 -14.554  -7.132
    9    HA   VAL  27           HB1      VAL  27 -10.299 -13.319  -5.294

  No H/Q in entry =           9
  In of MODEL   30
    1    H    SER  28           H        SER  28  -8.491 -10.433  -4.429
    2    HG   SER  28           HXT      SER  28  -8.203 -12.672  -0.176
    3    HA   SER  28           HB1      SER  28  -9.711 -10.149  -1.927
    4    HB2  SER  28           HG2      SER  28  -7.183 -11.725  -1.960
    5    HB3  SER  28           HG3      SER  28  -7.388 -10.543  -0.668

  No H/Q in entry =           5
  In of MODEL   30
    1    H    SER  29           H        SER  29  -9.614  -8.046  -1.519
    2    HG   SER  29           HXT      SER  29 -10.700  -6.665  -2.943
    3    HA   SER  29           HB1      SER  29  -7.605  -6.424  -2.856
    4    HB2  SER  29           HG2      SER  29  -9.936  -5.523  -1.150
    5    HB3  SER  29           HG3      SER  29  -8.976  -4.524  -2.241

  No H/Q in entry =           5
  In of MODEL   30
    1    H    HIS  30           H        HIS  30  -5.997  -5.314  -1.875
    2    HD1  HIS  30           HD2      HIS  30  -1.521  -7.057   0.003
    3    HD2  HIS  30           HE1      HIS  30  -5.528  -8.071  -0.422
    4    HE1  HIS  30           HE2      HIS  30  -1.580  -9.571  -0.020
    5    HE2  HIS  30           HXT      HIS  30  -4.023 -10.161  -0.191
    6    HA   HIS  30           HB1      HIS  30  -5.629  -5.798   0.999
    7    HB2  HIS  30           HG2      HIS  30  -3.684  -5.213  -1.229
    8    HB3  HIS  30           HG3      HIS  30  -3.224  -5.103   0.467

  No H/Q in entry =           8
  In of MODEL   30
    1    H    TYR  31           H        TYR  31  -4.892  -4.106   2.363
    2    HD1  TYR  31           HD2      TYR  31  -8.152  -3.778   2.778
    3    HD2  TYR  31           HE1      TYR  31  -7.534   0.416   2.412
    4    HE1  TYR  31           HE2      TYR  31 -10.411  -3.533   1.836
    5    HE2  TYR  31           HH       TYR  31  -9.791   0.672   1.470
    6    HH   TYR  31           HXT      TYR  31 -12.133  -1.734   1.626
    7    HA   TYR  31           HB1      TYR  31  -5.444  -1.400   1.331
    8    HB2  TYR  31           HG2      TYR  31  -6.300  -2.720   3.884
    9    HB3  TYR  31           HG3      TYR  31  -6.083  -0.974   3.832

  No H/Q in entry =           9
  In of MODEL   30
    1    H    CYS  32           H        CYS  32  -4.503   0.308   2.894
    2    HA   CYS  32           HB1      CYS  32  -1.827  -0.561   3.769
    3    HB2  CYS  32           HG2      CYS  32  -2.648   1.687   2.005
    4    HB3  CYS  32           HG3      CYS  32  -1.345   2.002   3.147

  No H/Q in entry =           4
  In of MODEL   30
    1    H    THR  33           H        THR  33  -0.922   0.539   5.552
    2    HG1  THR  33          HG21      THR  33  -0.964   1.943   9.553
    3   HG21  THR  33          HG22      THR  33   0.441   0.684   7.405
    4   HG22  THR  33          HG23      THR  33   0.338   0.070   9.055
    5   HG23  THR  33           HXT      THR  33  -0.188  -0.936   7.705
    6    HA   THR  33           HB1      THR  33  -2.915   1.935   7.212
    7    HB   THR  33          HG12      THR  33  -2.229  -0.187   8.178

  No H/Q in entry =           7
  In of MODEL   30
    1    H    GLY  34           H        GLY  34  -1.006   3.056   5.186
    2    HA2  GLY  34           HA3      GLY  34  -0.332   5.424   6.475
    3    HA3  GLY  34           HXT      GLY  34   0.381   4.872   4.967

  No H/Q in entry =           3
  In of MODEL   30
    1    H    ARG  35           H        ARG  35   1.512   2.457   6.175
    2    HB2  ARG  35           HG2      ARG  35   2.480   0.851   7.588
    3    HB3  ARG  35           HG3      ARG  35   4.096   1.083   8.240
    4    HG2  ARG  35           HD2      ARG  35   1.614   2.327   9.400
    5    HD2  ARG  35           HD3      ARG  35   3.587   3.551   9.997
    6    HG3  ARG  35           HD3      ARG  35   2.328   0.813   9.960
    7    HE   ARG  35          HH12      ARG  35   4.885   0.997  10.163
    8   HH11  ARG  35          HH21      ARG  35   4.965   4.310  11.257
    9   HH12  ARG  35          HH22      ARG  35   6.664   4.291  11.589
   10    HD3  ARG  35           HXT      ARG  35   3.074   2.595  11.387
   11   HH21  ARG  35           HXT      ARG  35   7.120   0.970  10.599
   12   HH22  ARG  35           H1       ARG  35   7.888   2.395  11.215
   13    HA   ARG  35           HB1      ARG  35   3.539   3.626   7.950

  No H/Q in entry =          13
  In of MODEL   30
    1    H    SER  36           H        SER  36   3.463   1.024   5.536
    2    HG   SER  36           HXT      SER  36   7.546   0.391   3.577
    3    HA   SER  36           HB1      SER  36   5.907   2.156   4.349
    4    HB2  SER  36           HG2      SER  36   6.597   0.237   5.647
    5    HB3  SER  36           HG3      SER  36   5.329  -0.757   4.929

  No H/Q in entry =           5
  In of MODEL   30
    1    H    CYS  37           H        CYS  37   6.329   1.108   2.132
    2    HA   CYS  37           HB1      CYS  37   4.009   1.573   0.521
    3    HB2  CYS  37           HG2      CYS  37   6.862   0.831  -0.060
    4    HB3  CYS  37           HG3      CYS  37   5.652   0.804  -1.337

  No H/Q in entry =           4
  In of MODEL   30
    1    H    GLU  38           H        GLU  38   5.721  -1.237   1.690
    2    HB2  GLU  38           HG2      GLU  38   6.624  -3.562   1.227
    3    HB3  GLU  38           HG3      GLU  38   5.670  -3.550   2.704
    4    HA   GLU  38           HB1      GLU  38   4.576  -3.130  -0.083
    5    HG2  GLU  38           HD2      GLU  38   4.800  -5.416   0.591
    6    HG3  GLU  38           HD3      GLU  38   6.328  -5.780   1.392

  No H/Q in entry =           6
  In of MODEL   30
    1    H    CYS  39           H        CYS  39   2.615  -4.012  -0.114
    2    HA   CYS  39           HB1      CYS  39   0.636  -3.195   1.795
    3    HB2  CYS  39           HG2      CYS  39   0.431  -5.202  -0.460
    4    HB3  CYS  39           HG3      CYS  39  -0.920  -4.504   0.426

  No H/Q in entry =           4
  In of MODEL   30
    1    HB2  PRO  40           HG2      PRO  40  -1.755  -6.811   5.367
    2    HB3  PRO  40           HG3      PRO  40  -0.723  -5.476   5.891
    3    HG2  PRO  40           HD2      PRO  40  -2.751  -5.550   3.691
    4    HD2  PRO  40           HD3      PRO  40  -1.534  -4.115   2.360
    5    HG3  PRO  40           HD3      PRO  40  -2.456  -4.285   4.898
    6    HD3  PRO  40           HXT      PRO  40  -0.658  -3.423   3.740
    7    HA   PRO  40           HB1      PRO  40   0.844  -6.574   4.618

  No H/Q in entry =           7
  In of MODEL   30
    1    H    SER  41           H        SER  41  -0.108  -8.751   5.091
    2    HG   SER  41           HXT      SER  41   1.695  -9.885   3.271
    3    HA   SER  41           HB1      SER  41  -0.897 -10.056   2.574
    4    HB2  SER  41           HG2      SER  41   0.581 -11.142   4.980
    5    HB3  SER  41           HG3      SER  41   0.024 -12.139   3.636

  No H/Q in entry =           5
  In of MODEL   30
    1    H    TYR  42           H        TYR  42  -1.680  -9.661   5.955
    2    HD1  TYR  42           HD2      TYR  42  -5.047  -8.972   8.950
    3    HD2  TYR  42           HE1      TYR  42  -0.968  -9.268   7.778
    4    HE1  TYR  42           HE2      TYR  42  -4.616  -6.748   9.908
    5    HE2  TYR  42           HH       TYR  42  -0.526  -7.046   8.732
    6    HH   TYR  42           HXT      TYR  42  -1.463  -5.530  10.382
    7    HA   TYR  42           HB1      TYR  42  -3.793 -11.636   5.877
    8    HB2  TYR  42           HG2      TYR  42  -4.181 -11.049   8.200
    9    HB3  TYR  42           HG3      TYR  42  -2.456 -11.275   7.930

  No H/Q in entry =           9
  In of MODEL   30
    1    HB2  PRO  43           HG2      PRO  43  -8.665 -10.130   3.802
    2    HB3  PRO  43           HG3      PRO  43  -7.280 -10.027   2.708
    3    HG2  PRO  43           HD2      PRO  43  -7.859 -12.043   4.845
    4    HD2  PRO  43           HD3      PRO  43  -5.630 -12.294   5.375
    5    HG3  PRO  43           HD3      PRO  43  -7.244 -12.300   3.201
    6    HD3  PRO  43           HXT      PRO  43  -5.088 -11.725   3.783
    7    HA   PRO  43           HB1      PRO  43  -6.567  -8.467   4.240

  No H/Q in entry =           7
  In of MODEL   30
    1    H    GLY  44           H        GLY  44  -7.185  -7.157   5.882
    2    HA2  GLY  44           HA3      GLY  44  -8.296  -6.403   7.750
    3    HA3  GLY  44           HXT      GLY  44  -8.417  -8.076   8.275

  No H/Q in entry =           3
  In of MODEL   31
    1    H1   ALA   1           H1       ALA   1  13.240   9.093  -5.872
    2    H2   ALA   1           H2       ALA   1  13.920  10.626  -5.511
    3    H3   ALA   1           H3       ALA   1  13.331  10.296  -7.089
    4    HA   ALA   1           HB1      ALA   1  15.016   8.805  -7.534
    5    HB1  ALA   1           HB2      ALA   1  15.465  11.420  -7.243
    6    HB2  ALA   1           HB3      ALA   1  16.716  10.287  -7.756
    7    HB3  ALA   1           HXT      ALA   1  16.632  10.806  -6.072

  No H/Q in entry =           7
  In of MODEL   31
    1    H    MET   2           H        MET   2  15.175   9.841  -4.144
    2    HB2  MET   2           HG2      MET   2  18.047   8.814  -3.982
    3    HB3  MET   2           HG3      MET   2  17.820   9.272  -2.299
    4    HE1  MET   2           HE2      MET   2  18.365   4.667  -1.958
    5    HE2  MET   2           HE3      MET   2  17.093   4.345  -3.137
    6    HE3  MET   2           HXT      MET   2  18.717   3.707  -3.395
    7    HA   MET   2           HB1      MET   2  15.989   7.192  -3.343
    8    HG2  MET   2           HD2      MET   2  19.432   7.571  -2.288
    9    HG3  MET   2           HD3      MET   2  17.936   6.814  -1.745

  No H/Q in entry =           9
  In of MODEL   31
    1    H    ASP   3           H        ASP   3  16.101   6.982  -0.966
    2    HA   ASP   3           HB1      ASP   3  15.178   7.239   1.096
    3    HB2  ASP   3           HG2      ASP   3  16.456   9.565   0.613
    4    HB3  ASP   3           HG3      ASP   3  14.813  10.167   0.810

  No H/Q in entry =           4
  In of MODEL   31
    1    H    CYS   4           H        CYS   4  13.431   6.651  -1.027
    2    HA   CYS   4           HB1      CYS   4  10.954   7.822   0.025
    3    HB2  CYS   4           HG2      CYS   4  11.722   7.548  -2.880
    4    HB3  CYS   4           HG3      CYS   4  10.056   7.760  -2.353

  No H/Q in entry =           4
  In of MODEL   31
    1    H    THR   5           H        THR   5   9.619   6.289   0.702
    2    HG1  THR   5          HG21      THR   5   7.061   5.268   0.197
    3   HG21  THR   5          HG22      THR   5   9.867   3.992   2.727
    4   HG22  THR   5          HG23      THR   5   8.913   5.461   2.938
    5   HG23  THR   5           HXT      THR   5   8.250   3.901   3.425
    6    HA   THR   5           HB1      THR   5  10.121   3.552   0.451
    7    HB   THR   5          HG12      THR   5   7.776   3.272   1.297

  No H/Q in entry =           7
  In of MODEL   31
    1    H    THR   6           H        THR   6   9.992   2.319  -1.295
    2    HG1  THR   6          HG21      THR   6  11.696   1.313  -3.878
    3   HG21  THR   6          HG22      THR   6   9.280   3.752  -5.070
    4   HG22  THR   6          HG23      THR   6  10.865   3.886  -4.309
    5   HG23  THR   6           HXT      THR   6  10.660   2.889  -5.750
    6    HA   THR   6           HB1      THR   6   8.073   3.037  -3.402
    7    HB   THR   6          HG12      THR   6   9.611   1.207  -4.613

  No H/Q in entry =           7
  In of MODEL   31
    1    H    GLY   7           H        GLY   7   6.361   1.787  -3.765
    2    HA2  GLY   7           HA3      GLY   7   5.825  -0.482  -2.131
    3    HA3  GLY   7           HXT      GLY   7   6.255  -0.977  -3.761

  No H/Q in entry =           3
  In of MODEL   31
    1    HB2  PRO   8           HG2      PRO   8   0.508  -2.067  -3.315
    2    HB3  PRO   8           HG3      PRO   8   1.557  -2.684  -4.596
    3    HG2  PRO   8           HD2      PRO   8   2.059  -2.523  -1.649
    4    HD2  PRO   8           HD3      PRO   8   4.312  -2.119  -1.934
    5    HG3  PRO   8           HD3      PRO   8   2.413  -3.848  -2.774
    6    HD3  PRO   8           HXT      PRO   8   4.334  -2.836  -3.558
    7    HA   PRO   8           HB1      PRO   8   2.024  -0.457  -4.901

  No H/Q in entry =           7
  In of MODEL   31
    1    H    CYS   9           H        CYS   9   2.586  -0.097  -1.460
    2    HA   CYS   9           HB1      CYS   9   0.132   1.376  -1.031
    3    HB2  CYS   9           HG2      CYS   9   2.345   0.357   0.664
    4    HB3  CYS   9           HG3      CYS   9   1.504   1.790   1.245

  No H/Q in entry =           4
  In of MODEL   31
    1    H    CYS  10           H        CYS  10   3.472   2.045  -1.714
    2    HA   CYS  10           HB1      CYS  10   3.055   4.905  -1.203
    3    HB2  CYS  10           HG2      CYS  10   5.685   3.643  -1.945
    4    HB3  CYS  10           HG3      CYS  10   5.395   5.159  -1.100

  No H/Q in entry =           4
  In of MODEL   31
    1    H    ARG  11           H        ARG  11   4.096   6.403  -2.802
    2    HB2  ARG  11           HG2      ARG  11   2.055   5.218  -5.067
    3    HB3  ARG  11           HG3      ARG  11   1.976   6.925  -5.481
    4    HG2  ARG  11           HD2      ARG  11   1.672   5.664  -7.476
    5    HD2  ARG  11           HD3      ARG  11   3.942   4.091  -6.413
    6    HG3  ARG  11           HD3      ARG  11   3.267   6.416  -7.548
    7    HE   ARG  11          HH12      ARG  11   3.944   4.950  -9.145
    8   HH11  ARG  11          HH21      ARG  11   4.689   2.295  -7.007
    9   HH12  ARG  11          HH22      ARG  11   5.864   1.602  -8.074
   10    HD3  ARG  11           HXT      ARG  11   2.514   3.562  -7.302
   11   HH21  ARG  11           HXT      ARG  11   5.489   4.040 -10.550
   12   HH22  ARG  11           H1       ARG  11   6.318   2.592 -10.085
   13    HA   ARG  11           HB1      ARG  11   4.674   5.686  -5.436

  No H/Q in entry =          13
  In of MODEL   31
    1    H    GLN  12           H        GLN  12   5.673   7.372  -6.357
    2    HB2  GLN  12           HG2      GLN  12   3.605   9.873  -6.008
    3    HB3  GLN  12           HG3      GLN  12   4.622  11.294  -5.831
    4   HE21  GLN  12          HE22      GLN  12   4.555  13.004  -7.068
    5   HE22  GLN  12           HXT      GLN  12   5.863  13.587  -8.035
    6    HA   GLN  12           HB1      GLN  12   6.429   9.485  -6.748
    7    HG2  GLN  12           HD2      GLN  12   4.618   9.695  -8.361
    8    HG3  GLN  12           HD3      GLN  12   3.400  10.932  -8.052

  No H/Q in entry =           8
  In of MODEL   31
    1    H    CYS  13           H        CYS  13   6.473   8.111  -3.957
    2    HA   CYS  13           HB1      CYS  13   7.667   8.498  -2.050
    3    HB2  CYS  13           HG2      CYS  13   8.971  10.120  -3.575
    4    HB3  CYS  13           HG3      CYS  13   8.006  11.388  -2.826

  No H/Q in entry =           4
  In of MODEL   31
    1    H    LYS  14           H        LYS  14   5.318   8.217  -1.402
    2    HB2  LYS  14           HG2      LYS  14   4.038  11.266  -1.474
    3    HB3  LYS  14           HG3      LYS  14   2.617  10.233  -1.396
    4    HG2  LYS  14           HG3      LYS  14   2.437  11.052   1.044
    5    HG3  LYS  14           HD2      LYS  14   3.522  12.341   0.520
    6    HD2  LYS  14           HD3      LYS  14   1.174  11.785  -1.197
    7    HE2  LYS  14           HE3      LYS  14   1.206  14.129  -1.541
    8    HE3  LYS  14           HZ1      LYS  14   2.231  14.391  -0.131
    9    HZ1  LYS  14           HZ2      LYS  14   3.138  12.809  -2.462
   10    HZ2  LYS  14           HZ3      LYS  14   3.344  14.486  -2.380
   11    HD3  LYS  14           HXT      LYS  14   0.856  12.529   0.372
   12    HZ3  LYS  14           HXT      LYS  14   4.076  13.487  -1.227
   13    HA   LYS  14           HB1      LYS  14   4.723   9.960   0.710

  No H/Q in entry =          13
  In of MODEL   31
    1    H    LEU  15           H        LEU  15   4.135   8.372   2.045
    2   HD11  LEU  15          HD12      LEU  15   3.987   5.376   5.675
    3   HD12  LEU  15          HD13      LEU  15   4.189   3.736   5.059
    4   HD13  LEU  15          HD21      LEU  15   5.147   5.055   4.387
    5   HD21  LEU  15          HD22      LEU  15   1.272   5.359   4.815
    6   HD22  LEU  15          HD23      LEU  15   1.130   4.282   3.427
    7   HD23  LEU  15           HXT      LEU  15   1.889   3.710   4.912
    8    HG   LEU  15           HXT      LEU  15   3.348   4.471   2.872
    9    HA   LEU  15           HB1      LEU  15   2.931   5.961   1.336
   10    HB2  LEU  15           HG2      LEU  15   4.010   6.964   3.608
   11    HB3  LEU  15           HG3      LEU  15   2.308   6.997   4.028

  No H/Q in entry =          11
  In of MODEL   31
    1    H    LYS  16           H        LYS  16   0.905   5.358   0.903
    2    HB2  LYS  16           HG2      LYS  16  -0.954   4.255   0.521
    3    HB3  LYS  16           HG3      LYS  16  -2.560   4.968   0.600
    4    HG2  LYS  16           HG3      LYS  16  -2.341   5.972  -1.506
    5    HG3  LYS  16           HD2      LYS  16  -0.592   5.736  -1.529
    6    HD2  LYS  16           HD3      LYS  16  -1.060   3.249  -1.513
    7    HE2  LYS  16           HE3      LYS  16  -0.406   4.430  -3.554
    8    HE3  LYS  16           HZ1      LYS  16  -1.550   3.130  -3.890
    9    HZ1  LYS  16           HZ2      LYS  16  -2.341   5.973  -3.582
   10    HZ2  LYS  16           HZ3      LYS  16  -2.009   5.251  -5.075
   11    HD3  LYS  16           HXT      LYS  16  -2.750   3.656  -1.819
   12    HZ3  LYS  16           HXT      LYS  16  -3.301   4.696  -4.136
   13    HA   LYS  16           HB1      LYS  16  -1.134   7.223   0.456

  No H/Q in entry =          13
  In of MODEL   31
    1    HB2  PRO  17           HG2      PRO  17  -5.593   7.614   3.018
    2    HB3  PRO  17           HG3      PRO  17  -5.021   9.015   3.929
    3    HG2  PRO  17           HD2      PRO  17  -5.176   9.089   1.270
    4    HD2  PRO  17           HD3      PRO  17  -3.878   7.295   0.614
    5    HG3  PRO  17           HD3      PRO  17  -3.835   9.868   2.130
    6    HD3  PRO  17           HXT      PRO  17  -2.594   8.517   0.732
    7    HA   PRO  17           HB1      PRO  17  -2.981   8.060   4.369

  No H/Q in entry =           7
  In of MODEL   31
    1    H    ALA  18           H        ALA  18  -3.759   6.967   6.121
    2    HA   ALA  18           HB1      ALA  18  -3.755   4.171   6.120
    3    HB1  ALA  18           HB2      ALA  18  -3.625   6.033   8.050
    4    HB2  ALA  18           HB3      ALA  18  -5.294   5.502   8.258
    5    HB3  ALA  18           HXT      ALA  18  -3.976   4.334   8.363

  No H/Q in entry =           5
  In of MODEL   31
    1    H    GLY  19           H        GLY  19  -5.174   2.895   5.133
    2    HA2  GLY  19           HA3      GLY  19  -8.040   3.577   5.359
    3    HA3  GLY  19           HXT      GLY  19  -7.420   1.933   5.344

  No H/Q in entry =           3
  In of MODEL   31
    1    H    THR  20           H        THR  20  -5.467   2.949   3.172
    2    HG1  THR  20          HG21      THR  20  -5.564   5.163   2.259
    3   HG21  THR  20          HG22      THR  20  -6.587   3.581  -1.137
    4   HG22  THR  20          HG23      THR  20  -6.071   5.260  -0.974
    5   HG23  THR  20           HXT      THR  20  -4.889   4.007  -1.354
    6    HA   THR  20           HB1      THR  20  -7.392   2.962   0.945
    7    HB   THR  20          HG12      THR  20  -4.496   3.799   0.808

  No H/Q in entry =           7
  In of MODEL   31
    1    H    THR  21           H        THR  21  -7.398   1.326  -0.474
    2    HG1  THR  21          HG21      THR  21  -7.572  -2.441  -2.821
    3   HG21  THR  21          HG22      THR  21  -6.631   0.994  -2.797
    4   HG22  THR  21          HG23      THR  21  -6.870  -0.383  -3.873
    5   HG23  THR  21           HXT      THR  21  -8.262   0.425  -3.151
    6    HA   THR  21           HB1      THR  21  -6.145  -1.098   0.050
    7    HB   THR  21          HG12      THR  21  -8.149  -0.859  -1.360

  No H/Q in entry =           7
  In of MODEL   31
    1    H    CYS  22           H        CYS  22  -4.571  -2.271  -1.266
    2    HA   CYS  22           HB1      CYS  22  -2.690  -0.668  -2.794
    3    HB2  CYS  22           HG2      CYS  22  -0.757  -1.310  -1.462
    4    HB3  CYS  22           HG3      CYS  22  -1.916  -0.448  -0.456

  No H/Q in entry =           4
  In of MODEL   31
    1    H    TRP  23           H        TRP  23  -4.527  -2.881  -3.324
    2    HE1  TRP  23           HE3      TRP  23  -0.017  -7.627  -6.088
    3    HE3  TRP  23           HZ2      TRP  23  -3.521  -8.630  -2.177
    4    HZ2  TRP  23           HZ3      TRP  23  -0.095 -10.354  -5.363
    5    HZ3  TRP  23           HH2      TRP  23  -2.925 -11.017  -2.240
    6    HH2  TRP  23           HXT      TRP  23  -1.247 -11.859  -3.801
    7    HA   TRP  23           HB1      TRP  23  -2.889  -4.441  -4.985
    8    HB2  TRP  23           HG2      TRP  23  -2.568  -5.308  -2.452
    9    HB3  TRP  23           HG3      TRP  23  -3.975  -6.261  -2.912
   10    HD1  TRP  23           HD2      TRP  23  -1.169  -5.431  -5.397

  No H/Q in entry =          10
  In of MODEL   31
    1    H    LYS  24           H        LYS  24  -4.151  -6.432  -5.816
    2    HB2  LYS  24           HG2      LYS  24  -7.593  -5.663  -7.733
    3    HB3  LYS  24           HG3      LYS  24  -7.166  -4.482  -6.503
    4    HG2  LYS  24           HG3      LYS  24  -4.794  -4.651  -7.593
    5    HG3  LYS  24           HD2      LYS  24  -5.705  -5.256  -8.978
    6    HD2  LYS  24           HD3      LYS  24  -6.874  -3.258  -9.238
    7    HE2  LYS  24           HE3      LYS  24  -4.045  -2.780  -8.414
    8    HE3  LYS  24           HZ1      LYS  24  -4.780  -2.675 -10.013
    9    HZ1  LYS  24           HZ2      LYS  24  -6.074  -0.719  -8.964
   10    HZ2  LYS  24           HZ3      LYS  24  -4.827  -0.713  -7.820
   11    HD3  LYS  24           HXT      LYS  24  -6.525  -2.730  -7.590
   12    HZ3  LYS  24           HXT      LYS  24  -4.474  -0.478  -9.459
   13    HA   LYS  24           HB1      LYS  24  -6.933  -6.612  -5.483

  No H/Q in entry =          13
  In of MODEL   31
    1    H    THR  25           H        THR  25  -5.742  -8.734  -5.442
    2    HG1  THR  25          HG21      THR  25  -5.801 -11.652  -4.423
    3   HG21  THR  25          HG22      THR  25  -3.123 -10.138  -5.711
    4   HG22  THR  25          HG23      THR  25  -3.188 -11.852  -5.299
    5   HG23  THR  25           HXT      THR  25  -3.073 -11.354  -6.987
    6    HA   THR  25           HB1      THR  25  -4.772  -9.861  -7.863
    7    HB   THR  25          HG12      THR  25  -5.332 -12.050  -6.428

  No H/Q in entry =           7
  In of MODEL   31
    1    H    SER  26           H        SER  26  -6.697  -9.067  -9.123
    2    HG   SER  26           HXT      SER  26  -6.839 -12.647  -9.275
    3    HA   SER  26           HB1      SER  26  -8.383  -9.711 -10.523
    4    HB2  SER  26           HG2      SER  26  -8.878 -12.204  -8.922
    5    HB3  SER  26           HG3      SER  26  -9.127 -11.927 -10.646

  No H/Q in entry =           5
  In of MODEL   31
    1    H    VAL  27           H        VAL  27  -9.125 -10.760  -7.214
    2    HB   VAL  27          HG12      VAL  27 -11.537 -11.750  -6.070
    3   HG11  VAL  27          HG12      VAL  27 -13.010 -10.009  -5.067
    4   HG12  VAL  27          HG13      VAL  27 -13.777  -9.817  -6.644
    5   HG13  VAL  27          HG21      VAL  27 -13.885 -11.358  -5.793
    6   HG21  VAL  27          HG22      VAL  27 -11.347 -11.837  -8.525
    7   HG22  VAL  27          HG23      VAL  27 -12.917 -12.400  -7.954
    8   HG23  VAL  27           HXT      VAL  27 -12.760 -10.790  -8.656
    9    HA   VAL  27           HB1      VAL  27 -11.453  -8.975  -7.248

  No H/Q in entry =           9
  In of MODEL   31
    1    H    SER  28           H        SER  28  -9.282 -10.946  -5.274
    2    HG   SER  28           HXT      SER  28  -7.962 -11.496  -0.993
    3    HA   SER  28           HB1      SER  28  -9.978  -9.606  -2.835
    4    HB2  SER  28           HG2      SER  28  -8.879 -12.019  -3.343
    5    HB3  SER  28           HG3      SER  28  -7.419 -11.096  -2.988

  No H/Q in entry =           5
  In of MODEL   31
    1    H    SER  29           H        SER  29  -8.661  -8.214  -1.609
    2    HG   SER  29           HXT      SER  29  -9.194  -5.703  -1.338
    3    HA   SER  29           HB1      SER  29  -6.295  -7.081  -2.871
    4    HB2  SER  29           HG2      SER  29  -7.278  -4.736  -2.359
    5    HB3  SER  29           HG3      SER  29  -7.822  -5.571  -3.813

  No H/Q in entry =           5
  In of MODEL   31
    1    H    HIS  30           H        HIS  30  -5.568  -5.123  -1.324
    2    HD1  HIS  30           HD2      HIS  30  -2.818  -7.049   3.166
    3    HD2  HIS  30           HE1      HIS  30  -4.396  -8.514  -0.387
    4    HE1  HIS  30           HE2      HIS  30  -2.722  -9.553   3.370
    5    HE2  HIS  30           HXT      HIS  30  -3.763 -10.418   1.245
    6    HA   HIS  30           HB1      HIS  30  -5.897  -6.006   1.461
    7    HB2  HIS  30           HG2      HIS  30  -3.385  -5.714  -0.115
    8    HB3  HIS  30           HG3      HIS  30  -3.351  -5.231   1.577

  No H/Q in entry =           8
  In of MODEL   31
    1    H    TYR  31           H        TYR  31  -6.183  -4.412   2.911
    2    HD1  TYR  31           HD2      TYR  31  -8.442  -3.323   1.473
    3    HD2  TYR  31           HE1      TYR  31  -9.078  -0.209   4.301
    4    HE1  TYR  31           HE2      TYR  31 -10.505  -2.687   0.298
    5    HE2  TYR  31           HH       TYR  31 -11.144   0.436   3.134
    6    HH   TYR  31           HXT      TYR  31 -11.934  -0.669   0.047
    7    HA   TYR  31           HB1      TYR  31  -6.292  -1.683   1.902
    8    HB2  TYR  31           HG2      TYR  31  -7.512  -3.165   4.155
    9    HB3  TYR  31           HG3      TYR  31  -7.153  -1.468   4.455

  No H/Q in entry =           9
  In of MODEL   31
    1    H    CYS  32           H        CYS  32  -4.716  -0.269   2.219
    2    HA   CYS  32           HB1      CYS  32  -2.453  -0.917   3.859
    3    HB2  CYS  32           HG2      CYS  32  -2.636   0.497   1.621
    4    HB3  CYS  32           HG3      CYS  32  -2.850   1.828   2.753

  No H/Q in entry =           4
  In of MODEL   31
    1    H    THR  33           H        THR  33  -1.837  -0.043   5.792
    2    HG1  THR  33          HG21      THR  33  -0.695   1.081   8.736
    3   HG21  THR  33          HG22      THR  33  -3.695  -1.188   7.435
    4   HG22  THR  33          HG23      THR  33  -2.112  -1.790   7.929
    5   HG23  THR  33           HXT      THR  33  -3.352  -1.471   9.142
    6    HA   THR  33           HB1      THR  33  -3.923   1.378   7.265
    7    HB   THR  33          HG12      THR  33  -2.829   0.679   9.260

  No H/Q in entry =           7
  In of MODEL   31
    1    H    GLY  34           H        GLY  34  -1.901   2.545   5.257
    2    HA2  GLY  34           HA3      GLY  34  -1.660   5.081   6.304
    3    HA3  GLY  34           HXT      GLY  34  -0.619   4.440   5.043

  No H/Q in entry =           3
  In of MODEL   31
    1    H    ARG  35           H        ARG  35   0.485   2.348   6.772
    2    HB2  ARG  35           HG2      ARG  35   1.299   1.079   8.615
    3    HB3  ARG  35           HG3      ARG  35   2.700   1.624   9.527
    4    HG2  ARG  35           HD2      ARG  35   0.135   3.048   9.959
    5    HD2  ARG  35           HD3      ARG  35   2.608   2.383  11.470
    6    HG3  ARG  35           HD3      ARG  35   0.301   1.419  10.617
    7    HE   ARG  35          HH12      ARG  35   0.582   3.378  13.199
    8   HH11  ARG  35          HH21      ARG  35   1.870   0.437  11.832
    9   HH12  ARG  35          HH22      ARG  35   1.329  -0.557  13.143
   10    HD3  ARG  35           HXT      ARG  35   1.754   3.919  11.323
   11   HH21  ARG  35           HXT      ARG  35  -0.129   2.073  14.925
   12   HH22  ARG  35           H1       ARG  35   0.194   0.371  14.899
   13    HA   ARG  35           HB1      ARG  35   2.035   3.984   8.658

  No H/Q in entry =          13
  In of MODEL   31
    1    H    SER  36           H        SER  36   2.604   1.017   6.797
    2    HG   SER  36           HXT      SER  36   7.135   0.582   7.067
    3    HA   SER  36           HB1      SER  36   5.165   2.167   5.902
    4    HB2  SER  36           HG2      SER  36   4.583  -0.449   7.184
    5    HB3  SER  36           HG3      SER  36   5.748  -0.457   5.859

  No H/Q in entry =           5
  In of MODEL   31
    1    H    CYS  37           H        CYS  37   6.058   0.882   3.974
    2    HA   CYS  37           HB1      CYS  37   4.112   0.994   1.893
    3    HB2  CYS  37           HG2      CYS  37   6.852   1.215   2.007
    4    HB3  CYS  37           HG3      CYS  37   6.634  -0.354   1.240

  No H/Q in entry =           4
  In of MODEL   31
    1    H    GLU  38           H        GLU  38   5.587  -1.565   3.763
    2    HB2  GLU  38           HG2      GLU  38   6.514  -3.594   4.092
    3    HB3  GLU  38           HG3      GLU  38   5.117  -4.065   5.049
    4    HA   GLU  38           HB1      GLU  38   4.789  -3.721   2.099
    5    HG2  GLU  38           HD2      GLU  38   6.123  -6.084   4.548
    6    HG3  GLU  38           HD3      GLU  38   4.846  -5.962   3.339

  No H/Q in entry =           6
  In of MODEL   31
    1    H    CYS  39           H        CYS  39   2.741  -4.172   1.643
    2    HA   CYS  39           HB1      CYS  39   0.524  -3.328   3.154
    3    HB2  CYS  39           HG2      CYS  39   0.757  -5.492   1.055
    4    HB3  CYS  39           HG3      CYS  39  -0.770  -4.907   1.707

  No H/Q in entry =           4
  In of MODEL   31
    1    HB2  PRO  40           HG2      PRO  40  -2.600  -6.653   6.468
    2    HB3  PRO  40           HG3      PRO  40  -1.739  -5.232   7.071
    3    HG2  PRO  40           HD2      PRO  40  -3.207  -5.604   4.489
    4    HD2  PRO  40           HD3      PRO  40  -1.743  -4.255   3.324
    5    HG3  PRO  40           HD3      PRO  40  -3.215  -4.214   5.591
    6    HD3  PRO  40           HXT      PRO  40  -1.208  -3.406   4.788
    7    HA   PRO  40           HB1      PRO  40   0.101  -6.373   6.308

  No H/Q in entry =           7
  In of MODEL   31
    1    H    SER  41           H        SER  41  -1.074  -8.502   6.809
    2    HG   SER  41           HXT      SER  41   1.308 -10.135   5.534
    3    HA   SER  41           HB1      SER  41  -1.096 -10.134   4.359
    4    HB2  SER  41           HG2      SER  41  -0.215 -10.699   7.170
    5    HB3  SER  41           HG3      SER  41  -0.723 -12.028   6.128

  No H/Q in entry =           5
  In of MODEL   31
    1    H    TYR  42           H        TYR  42  -3.392  -8.678   5.259
    2    HD1  TYR  42           HD2      TYR  42  -6.110 -12.079   8.052
    3    HD2  TYR  42           HE1      TYR  42  -3.180  -9.035   8.555
    4    HE1  TYR  42           HE2      TYR  42  -4.925 -13.496   9.675
    5    HE2  TYR  42           HH       TYR  42  -1.986 -10.444  10.179
    6    HH   TYR  42           HXT      TYR  42  -2.592 -13.723  10.564
    7    HA   TYR  42           HB1      TYR  42  -5.237 -10.915   5.526
    8    HB2  TYR  42           HG2      TYR  42  -5.236  -8.558   7.422
    9    HB3  TYR  42           HG3      TYR  42  -6.519  -9.758   7.314

  No H/Q in entry =           9
  In of MODEL   31
    1    HB2  PRO  43           HG2      PRO  43  -9.995  -9.545   2.931
    2    HB3  PRO  43           HG3      PRO  43  -8.687 -10.445   2.153
    3    HG2  PRO  43           HD2      PRO  43  -9.699 -10.624   4.966
    4    HD2  PRO  43           HD3      PRO  43  -7.604 -11.051   5.819
    5    HG3  PRO  43           HD3      PRO  43  -9.253 -11.931   3.852
    6    HD3  PRO  43           HXT      PRO  43  -7.003 -11.697   4.279
    7    HA   PRO  43           HB1      PRO  43  -7.514  -8.516   2.599

  No H/Q in entry =           7
  In of MODEL   31
    1    H    GLY  44           H        GLY  44  -7.626  -6.399   3.190
    2    HA2  GLY  44           HA3      GLY  44 -10.010  -5.568   4.637
    3    HA3  GLY  44           HXT      GLY  44  -8.918  -4.525   3.740

  No H/Q in entry =           3
  In of MODEL   32
    1    H1   ALA   1           H1       ALA   1  12.416  13.646   2.152
    2    H2   ALA   1           H2       ALA   1  13.742  14.308   1.292
    3    H3   ALA   1           H3       ALA   1  12.289  13.921   0.463
    4    HA   ALA   1           HB1      ALA   1  12.612  11.681   0.660
    5    HB1  ALA   1           HB2      ALA   1  14.321  13.208  -0.739
    6    HB2  ALA   1           HB3      ALA   1  15.462  12.347   0.293
    7    HB3  ALA   1           HXT      ALA   1  14.361  11.445  -0.748

  No H/Q in entry =           7
  In of MODEL   32
    1    H    MET   2           H        MET   2  12.664  10.238   2.239
    2    HB2  MET   2           HG2      MET   2  12.865  11.285   5.167
    3    HB3  MET   2           HG3      MET   2  12.044   9.750   4.917
    4    HE1  MET   2           HE2      MET   2  14.442  12.384   7.091
    5    HE2  MET   2           HE3      MET   2  14.049  12.552   8.803
    6    HE3  MET   2           HXT      MET   2  15.195  11.318   8.277
    7    HA   MET   2           HB1      MET   2  14.912  10.290   4.130
    8    HG2  MET   2           HD2      MET   2  13.225   8.688   6.558
    9    HG3  MET   2           HD3      MET   2  14.617   9.758   6.402

  No H/Q in entry =           9
  In of MODEL   32
    1    H    ASP   3           H        ASP   3  12.177   8.398   2.879
    2    HA   ASP   3           HB1      ASP   3  13.911   6.032   2.885
    3    HB2  ASP   3           HG2      ASP   3  11.881   4.680   3.598
    4    HB3  ASP   3           HG3      ASP   3  12.616   5.683   4.845

  No H/Q in entry =           4
  In of MODEL   32
    1    H    CYS   4           H        CYS   4  10.802   7.384   1.824
    2    HA   CYS   4           HB1      CYS   4   9.671   7.250  -0.140
    3    HB2  CYS   4           HG2      CYS   4  12.447   6.585  -1.099
    4    HB3  CYS   4           HG3      CYS   4  11.076   6.651  -2.200

  No H/Q in entry =           4
  In of MODEL   32
    1    H    THR   5           H        THR   5  11.924   4.616  -0.836
    2    HG1  THR   5          HG21      THR   5  10.063   3.373   1.959
    3   HG21  THR   5          HG22      THR   5  11.242   0.496   0.035
    4   HG22  THR   5          HG23      THR   5  10.164   0.438   1.430
    5   HG23  THR   5           HXT      THR   5   9.505   0.296  -0.200
    6    HA   THR   5           HB1      THR   5  11.624   2.384  -1.157
    7    HB   THR   5          HG12      THR   5   9.042   2.489   0.370

  No H/Q in entry =           7
  In of MODEL   32
    1    H    THR   6           H        THR   6  10.261   0.802  -2.286
    2    HG1  THR   6          HG21      THR   6  11.386   0.628  -4.114
    3   HG21  THR   6          HG22      THR   6   9.443   2.708  -5.750
    4   HG22  THR   6          HG23      THR   6  11.104   2.132  -5.606
    5   HG23  THR   6           HXT      THR   6  10.070   1.524  -6.898
    6    HA   THR   6           HB1      THR   6   8.302   2.133  -4.041
    7    HB   THR   6          HG12      THR   6   9.017   0.065  -5.560

  No H/Q in entry =           7
  In of MODEL   32
    1    H    GLY   7           H        GLY   7   6.374   1.120  -4.466
    2    HA2  GLY   7           HA3      GLY   7   5.551  -0.876  -2.552
    3    HA3  GLY   7           HXT      GLY   7   5.613  -1.471  -4.204

  No H/Q in entry =           3
  In of MODEL   32
    1    HB2  PRO   8           HG2      PRO   8   0.310  -1.891  -3.451
    2    HB3  PRO   8           HG3      PRO   8   0.253  -1.645  -5.198
    3    HG2  PRO   8           HD2      PRO   8   1.571  -3.714  -4.105
    4    HD2  PRO   8           HD3      PRO   8   3.095  -2.605  -2.743
    5    HG3  PRO   8           HD3      PRO   8   2.150  -2.903  -5.572
    6    HD3  PRO   8           HXT      PRO   8   4.043  -2.702  -4.243
    7    HA   PRO   8           HB1      PRO   8   1.628   0.166  -5.093

  No H/Q in entry =           7
  In of MODEL   32
    1    H    CYS   9           H        CYS   9   2.514   1.832  -3.322
    2    HA   CYS   9           HB1      CYS   9   0.274   2.707  -1.880
    3    HB2  CYS   9           HG2      CYS   9   1.114   0.708  -0.470
    4    HB3  CYS   9           HG3      CYS   9   2.438   1.772  -0.011

  No H/Q in entry =           4
  In of MODEL   32
    1    H    CYS  10           H        CYS  10   2.217   3.753  -3.672
    2    HA   CYS  10           HB1      CYS  10   2.733   6.242  -2.494
    3    HB2  CYS  10           HG2      CYS  10   5.286   6.079  -2.575
    4    HB3  CYS  10           HG3      CYS  10   4.481   5.317  -1.208

  No H/Q in entry =           4
  In of MODEL   32
    1    H    ARG  11           H        ARG  11   3.009   7.715  -4.072
    2    HB2  ARG  11           HG2      ARG  11   2.068   9.169  -5.935
    3    HB3  ARG  11           HG3      ARG  11   3.729   9.599  -5.555
    4    HG2  ARG  11           HD2      ARG  11   3.974   9.020  -8.176
    5    HD2  ARG  11           HD3      ARG  11   2.924  11.724  -7.639
    6    HG3  ARG  11           HD3      ARG  11   2.309   9.603  -8.131
    7    HE   ARG  11          HH12      ARG  11   4.772  10.681  -9.388
    8   HH11  ARG  11          HH21      ARG  11   4.705  13.262  -7.040
    9   HH12  ARG  11          HH22      ARG  11   5.855  14.236  -7.893
   10    HD3  ARG  11           HXT      ARG  11   4.285  11.210  -6.642
   11   HH21  ARG  11           HXT      ARG  11   6.284  11.960 -10.511
   12   HH22  ARG  11           H1       ARG  11   6.751  13.498  -9.864
   13    HA   ARG  11           HB1      ARG  11   2.789   6.992  -6.766

  No H/Q in entry =          13
  In of MODEL   32
    1    H    GLN  12           H        GLN  12   5.531   8.917  -5.583
    2    HB2  GLN  12           HG2      GLN  12   6.627   9.468  -8.079
    3    HB3  GLN  12           HG3      GLN  12   8.048   9.948  -7.162
    4   HE21  GLN  12          HE22      GLN  12  10.721   9.618  -8.978
    5   HE22  GLN  12           HXT      GLN  12  11.704   8.466  -8.147
    6    HA   GLN  12           HB1      GLN  12   7.355   7.089  -6.979
    7    HG2  GLN  12           HD2      GLN  12   7.924   7.783  -9.249
    8    HG3  GLN  12           HD3      GLN  12   8.641   9.383  -9.438

  No H/Q in entry =           8
  In of MODEL   32
    1    H    CYS  13           H        CYS  13   6.581   8.288  -4.099
    2    HA   CYS  13           HB1      CYS  13   8.918   7.597  -2.798
    3    HB2  CYS  13           HG2      CYS  13   8.997  10.286  -3.922
    4    HB3  CYS  13           HG3      CYS  13   9.235  10.290  -2.178

  No H/Q in entry =           4
  In of MODEL   32
    1    H    LYS  14           H        LYS  14   6.183   9.819  -2.826
    2    HB2  LYS  14           HG2      LYS  14   5.115  11.631  -1.755
    3    HB3  LYS  14           HG3      LYS  14   3.712  10.577  -1.867
    4    HG2  LYS  14           HG3      LYS  14   4.529  11.415   0.846
    5    HG3  LYS  14           HD2      LYS  14   3.843  12.655  -0.205
    6    HD2  LYS  14           HD3      LYS  14   2.398  10.091  -0.170
    7    HE2  LYS  14           HE3      LYS  14   0.578  11.967   0.374
    8    HE3  LYS  14           HZ1      LYS  14   1.828  12.992  -0.331
    9    HZ1  LYS  14           HZ2      LYS  14   1.789  11.100  -2.142
   10    HZ2  LYS  14           HZ3      LYS  14   0.203  10.912  -1.585
   11    HD3  LYS  14           HXT      LYS  14   2.376  10.991   1.348
   12    HZ3  LYS  14           HXT      LYS  14   0.713  12.403  -2.201
   13    HA   LYS  14           HB1      LYS  14   5.949   9.931   0.027

  No H/Q in entry =          13
  In of MODEL   32
    1    H    LEU  15           H        LEU  15   4.731   8.722   1.370
    2   HD11  LEU  15          HD12      LEU  15   1.824   5.168   2.621
    3   HD12  LEU  15          HD13      LEU  15   2.531   3.917   1.599
    4   HD13  LEU  15          HD21      LEU  15   2.466   3.695   3.347
    5   HD21  LEU  15          HD22      LEU  15   5.670   5.229   1.412
    6   HD22  LEU  15          HD23      LEU  15   5.454   3.642   2.150
    7   HD23  LEU  15           HXT      LEU  15   4.413   4.144   0.818
    8    HG   LEU  15           HXT      LEU  15   4.329   4.878   3.686
    9    HA   LEU  15           HB1      LEU  15   3.711   6.220   0.384
   10    HB2  LEU  15           HG2      LEU  15   4.795   7.037   2.757
   11    HB3  LEU  15           HG3      LEU  15   3.090   6.963   3.159

  No H/Q in entry =          11
  In of MODEL   32
    1    H    LYS  16           H        LYS  16   1.640   5.638   0.049
    2    HB2  LYS  16           HG2      LYS  16  -0.147   4.655  -0.479
    3    HB3  LYS  16           HG3      LYS  16  -1.749   5.215  -0.021
    4    HG2  LYS  16           HG3      LYS  16  -1.832   6.624  -2.012
    5    HG3  LYS  16           HD2      LYS  16  -0.220   6.071  -2.470
    6    HD2  LYS  16           HD3      LYS  16  -1.485   3.703  -2.131
    7    HE2  LYS  16           HE3      LYS  16  -0.237   4.848  -4.148
    8    HE3  LYS  16           HZ1      LYS  16  -1.265   3.436  -4.387
    9    HZ1  LYS  16           HZ2      LYS  16  -2.542   6.053  -4.562
   10    HZ2  LYS  16           HZ3      LYS  16  -1.508   5.623  -5.830
   11    HD3  LYS  16           HXT      LYS  16  -2.824   4.712  -2.683
   12    HZ3  LYS  16           HXT      LYS  16  -2.836   4.644  -5.451
   13    HA   LYS  16           HB1      LYS  16  -0.347   7.571  -0.332

  No H/Q in entry =          13
  In of MODEL   32
    1    HB2  PRO  17           HG2      PRO  17  -4.863   7.543   2.333
    2    HB3  PRO  17           HG3      PRO  17  -4.435   9.070   3.113
    3    HG2  PRO  17           HD2      PRO  17  -4.693   8.917   0.465
    4    HD2  PRO  17           HD3      PRO  17  -3.208   7.248  -0.118
    5    HG3  PRO  17           HD3      PRO  17  -3.428   9.916   1.205
    6    HD3  PRO  17           HXT      PRO  17  -2.079   8.618  -0.144
    7    HA   PRO  17           HB1      PRO  17  -2.277   8.403   3.527

  No H/Q in entry =           7
  In of MODEL   32
    1    H    ALA  18           H        ALA  18  -2.794   7.352   5.390
    2    HA   ALA  18           HB1      ALA  18  -2.560   4.538   5.491
    3    HB1  ALA  18           HB2      ALA  18  -3.617   6.367   7.643
    4    HB2  ALA  18           HB3      ALA  18  -1.908   6.071   7.326
    5    HB3  ALA  18           HXT      ALA  18  -2.948   4.749   7.858

  No H/Q in entry =           5
  In of MODEL   32
    1    H    GLY  19           H        GLY  19  -4.083   3.315   4.532
    2    HA2  GLY  19           HA3      GLY  19  -6.888   3.785   5.339
    3    HA3  GLY  19           HXT      GLY  19  -6.196   2.183   5.134

  No H/Q in entry =           3
  In of MODEL   32
    1    H    THR  20           H        THR  20  -4.726   2.925   2.716
    2    HG1  THR  20          HG21      THR  20  -4.173   5.547   1.059
    3   HG21  THR  20          HG22      THR  20  -5.230   3.115  -1.699
    4   HG22  THR  20          HG23      THR  20  -6.308   4.470  -1.362
    5   HG23  THR  20           HXT      THR  20  -4.602   4.763  -1.699
    6    HA   THR  20           HB1      THR  20  -6.952   3.348   0.842
    7    HB   THR  20          HG12      THR  20  -3.981   3.605   0.336

  No H/Q in entry =           7
  In of MODEL   32
    1    H    THR  21           H        THR  21  -7.364   1.890  -0.779
    2    HG1  THR  21          HG21      THR  21  -9.115   1.042  -1.140
    3   HG21  THR  21          HG22      THR  21  -8.806  -1.298  -0.214
    4   HG22  THR  21          HG23      THR  21  -9.815  -1.307  -1.661
    5   HG23  THR  21           HXT      THR  21  -8.416  -2.375  -1.555
    6    HA   THR  21           HB1      THR  21  -6.580  -0.802  -0.316
    7    HB   THR  21          HG12      THR  21  -7.679  -0.642  -2.902

  No H/Q in entry =           7
  In of MODEL   32
    1    H    CYS  22           H        CYS  22  -5.006  -1.998  -1.192
    2    HA   CYS  22           HB1      CYS  22  -3.433  -0.808  -3.381
    3    HB2  CYS  22           HG2      CYS  22  -1.524  -2.230  -2.315
    4    HB3  CYS  22           HG3      CYS  22  -1.946  -0.678  -1.602

  No H/Q in entry =           4
  In of MODEL   32
    1    H    TRP  23           H        TRP  23  -4.496  -3.814  -1.844
    2    HE1  TRP  23           HE3      TRP  23  -1.692  -9.088  -5.219
    3    HE3  TRP  23           HZ2      TRP  23  -4.798  -9.005  -0.869
    4    HZ2  TRP  23           HZ3      TRP  23  -2.079 -11.652  -4.103
    5    HZ3  TRP  23           HH2      TRP  23  -4.570 -11.445  -0.646
    6    HH2  TRP  23           HXT      TRP  23  -3.238 -12.740  -2.230
    7    HA   TRP  23           HB1      TRP  23  -3.774  -5.310  -4.252
    8    HB2  TRP  23           HG2      TRP  23  -3.439  -5.987  -1.667
    9    HB3  TRP  23           HG3      TRP  23  -5.025  -6.696  -1.948
   10    HD1  TRP  23           HD2      TRP  23  -2.416  -6.666  -4.741

  No H/Q in entry =          10
  In of MODEL   32
    1    H    LYS  24           H        LYS  24  -5.232  -5.957  -5.704
    2    HB2  LYS  24           HG2      LYS  24  -6.790  -4.431  -7.145
    3    HB3  LYS  24           HG3      LYS  24  -8.404  -5.081  -7.395
    4    HG2  LYS  24           HG3      LYS  24  -7.797  -3.505  -4.933
    5    HG3  LYS  24           HD2      LYS  24  -8.107  -2.682  -6.463
    6    HD2  LYS  24           HD3      LYS  24 -10.230  -4.070  -6.609
    7    HE2  LYS  24           HE3      LYS  24  -9.698  -1.870  -4.691
    8    HE3  LYS  24           HZ1      LYS  24 -10.742  -1.905  -6.111
    9    HZ1  LYS  24           HZ2      LYS  24 -12.085  -3.573  -4.639
   10    HZ2  LYS  24           HZ3      LYS  24 -11.305  -2.773  -3.368
   11    HD3  LYS  24           HXT      LYS  24  -9.939  -4.505  -4.923
   12    HZ3  LYS  24           HXT      LYS  24 -12.279  -1.904  -4.443
   13    HA   LYS  24           HB1      LYS  24  -8.068  -6.007  -4.949

  No H/Q in entry =          13
  In of MODEL   32
    1    H    THR  25           H        THR  25  -6.454  -8.235  -5.107
    2    HG1  THR  25          HG21      THR  25  -4.540  -9.546  -5.604
    3   HG21  THR  25          HG22      THR  25  -5.516 -11.506  -7.643
    4   HG22  THR  25          HG23      THR  25  -4.493 -11.918  -6.267
    5   HG23  THR  25           HXT      THR  25  -6.072 -12.681  -6.451
    6    HA   THR  25           HB1      THR  25  -6.334  -9.513  -7.590
    7    HB   THR  25          HG12      THR  25  -6.856 -11.100  -5.112

  No H/Q in entry =           7
  In of MODEL   32
    1    H    SER  26           H        SER  26  -7.594 -11.637  -7.998
    2    HG   SER  26           HXT      SER  26  -9.127 -10.906 -10.347
    3    HA   SER  26           HB1      SER  26 -10.392 -10.910  -8.162
    4    HB2  SER  26           HG2      SER  26  -8.671 -13.032  -9.392
    5    HB3  SER  26           HG3      SER  26 -10.422 -13.237  -9.389

  No H/Q in entry =           5
  In of MODEL   32
    1    H    VAL  27           H        VAL  27 -10.103 -11.140  -5.604
    2    HB   VAL  27          HG12      VAL  27  -9.687 -14.580  -5.035
    3   HG11  VAL  27          HG12      VAL  27  -8.188 -12.649  -4.490
    4   HG12  VAL  27          HG13      VAL  27  -8.626 -12.869  -2.796
    5   HG13  VAL  27          HG21      VAL  27  -7.787 -14.155  -3.663
    6   HG21  VAL  27          HG22      VAL  27 -11.212 -14.261  -2.547
    7   HG22  VAL  27          HG23      VAL  27 -10.869 -15.709  -3.493
    8   HG23  VAL  27           HXT      VAL  27  -9.663 -15.085  -2.367
    9    HA   VAL  27           HB1      VAL  27 -11.776 -13.293  -4.852

  No H/Q in entry =           9
  In of MODEL   32
    1    H    SER  28           H        SER  28  -9.393 -10.926  -3.769
    2    HG   SER  28           HXT      SER  28 -11.778 -11.310  -0.185
    3    HA   SER  28           HB1      SER  28 -11.277  -9.667  -2.036
    4    HB2  SER  28           HG2      SER  28  -9.013 -11.235  -0.782
    5    HB3  SER  28           HG3      SER  28  -9.977 -10.030   0.072

  No H/Q in entry =           5
  In of MODEL   32
    1    H    SER  29           H        SER  29 -10.339  -7.783  -0.920
    2    HG   SER  29           HXT      SER  29 -10.789  -5.344  -0.970
    3    HA   SER  29           HB1      SER  29  -7.816  -6.870  -2.125
    4    HB2  SER  29           HG2      SER  29  -8.910  -4.561  -2.240
    5    HB3  SER  29           HG3      SER  29  -9.449  -5.747  -3.428

  No H/Q in entry =           5
  In of MODEL   32
    1    H    HIS  30           H        HIS  30  -6.423  -5.990  -0.726
    2    HD1  HIS  30           HD2      HIS  30  -3.491  -7.975   2.634
    3    HD2  HIS  30           HE1      HIS  30  -7.105  -8.108   0.589
    4    HE1  HIS  30           HE2      HIS  30  -4.014 -10.418   2.351
    5    HE2  HIS  30           HXT      HIS  30  -6.155 -10.473   1.025
    6    HA   HIS  30           HB1      HIS  30  -7.304  -5.641   2.042
    7    HB2  HIS  30           HG2      HIS  30  -4.497  -5.703   0.913
    8    HB3  HIS  30           HG3      HIS  30  -4.932  -5.705   2.619

  No H/Q in entry =           8
  In of MODEL   32
    1    H    TYR  31           H        TYR  31  -5.602  -3.890   3.103
    2    HD1  TYR  31           HD2      TYR  31  -8.595  -3.203   3.332
    3    HD2  TYR  31           HE1      TYR  31  -7.915   0.876   2.331
    4    HE1  TYR  31           HE2      TYR  31 -10.873  -3.054   2.416
    5    HE2  TYR  31           HH       TYR  31 -10.191   1.037   1.414
    6    HH   TYR  31           HXT      TYR  31 -11.947  -1.231   0.441
    7    HA   TYR  31           HB1      TYR  31  -5.834  -1.431   1.508
    8    HB2  TYR  31           HG2      TYR  31  -6.736  -1.884   4.347
    9    HB3  TYR  31           HG3      TYR  31  -6.377  -0.274   3.733

  No H/Q in entry =           9
  In of MODEL   32
    1    H    CYS  32           H        CYS  32  -4.569   0.402   2.646
    2    HA   CYS  32           HB1      CYS  32  -1.972  -0.708   3.473
    3    HB2  CYS  32           HG2      CYS  32  -2.440   0.879   1.345
    4    HB3  CYS  32           HG3      CYS  32  -2.150   2.110   2.568

  No H/Q in entry =           4
  In of MODEL   32
    1    H    THR  33           H        THR  33  -0.730   0.497   5.049
    2    HG1  THR  33          HG21      THR  33   0.906   1.316   7.925
    3   HG21  THR  33          HG22      THR  33  -2.378  -0.726   7.015
    4   HG22  THR  33          HG23      THR  33  -0.795  -1.438   7.323
    5   HG23  THR  33           HXT      THR  33  -1.862  -1.043   8.671
    6    HA   THR  33           HB1      THR  33  -2.467   1.899   6.971
    7    HB   THR  33          HG12      THR  33  -1.146   1.049   8.741

  No H/Q in entry =           7
  In of MODEL   32
    1    H    GLY  34           H        GLY  34  -0.697   2.875   4.630
    2    HA2  GLY  34           HA3      GLY  34  -0.051   5.373   5.583
    3    HA3  GLY  34           HXT      GLY  34   0.721   4.630   4.192

  No H/Q in entry =           3
  In of MODEL   32
    1    H    ARG  35           H        ARG  35   1.910   2.456   5.711
    2    HB2  ARG  35           HG2      ARG  35   2.869   1.169   7.599
    3    HB3  ARG  35           HG3      ARG  35   4.387   1.688   8.316
    4    HG2  ARG  35           HD2      ARG  35   1.755   3.057   8.810
    5    HD2  ARG  35           HD3      ARG  35   4.008   3.132  10.720
    6    HG3  ARG  35           HD3      ARG  35   2.414   1.783   9.839
    7    HE   ARG  35          HH12      ARG  35   1.696   4.624  10.341
    8   HH11  ARG  35          HH21      ARG  35   5.092   5.195  10.907
    9   HH12  ARG  35          HH22      ARG  35   4.830   6.696  11.730
   10    HD3  ARG  35           HXT      ARG  35   4.214   4.044   9.226
   11   HH21  ARG  35           HXT      ARG  35   1.350   6.598  11.423
   12   HH22  ARG  35           H1       ARG  35   2.706   7.493  12.023
   13    HA   ARG  35           HB1      ARG  35   3.914   3.970   7.251

  No H/Q in entry =          13
  In of MODEL   32
    1    H    SER  36           H        SER  36   3.392   1.404   4.901
    2    HG   SER  36           HXT      SER  36   5.075  -1.788   3.248
    3    HA   SER  36           HB1      SER  36   6.167   1.751   4.011
    4    HB2  SER  36           HG2      SER  36   6.616  -0.547   3.926
    5    HB3  SER  36           HG3      SER  36   5.747  -0.369   5.450

  No H/Q in entry =           5
  In of MODEL   32
    1    H    CYS  37           H        CYS  37   6.541   1.161   1.791
    2    HA   CYS  37           HB1      CYS  37   4.397   1.941   0.084
    3    HB2  CYS  37           HG2      CYS  37   7.247   1.153  -0.284
    4    HB3  CYS  37           HG3      CYS  37   6.186   1.076  -1.687

  No H/Q in entry =           4
  In of MODEL   32
    1    H    GLU  38           H        GLU  38   5.641  -1.096   1.191
    2    HB2  GLU  38           HG2      GLU  38   6.469  -3.378   0.434
    3    HB3  GLU  38           HG3      GLU  38   5.417  -3.568   1.829
    4    HA   GLU  38           HB1      GLU  38   4.475  -2.677  -0.901
    5    HG2  GLU  38           HD2      GLU  38   4.117  -5.073  -0.013
    6    HG3  GLU  38           HD3      GLU  38   5.795  -5.299  -0.503

  No H/Q in entry =           6
  In of MODEL   32
    1    H    CYS  39           H        CYS  39   2.583  -3.819  -0.890
    2    HA   CYS  39           HB1      CYS  39   0.542  -2.887   0.929
    3    HB2  CYS  39           HG2      CYS  39   0.033  -3.109  -1.455
    4    HB3  CYS  39           HG3      CYS  39   0.396  -4.830  -1.386

  No H/Q in entry =           4
  In of MODEL   32
    1    HB2  PRO  40           HG2      PRO  40  -1.392  -6.061   5.044
    2    HB3  PRO  40           HG3      PRO  40  -0.015  -4.982   5.298
    3    HG2  PRO  40           HD2      PRO  40  -2.468  -4.565   3.633
    4    HD2  PRO  40           HD3      PRO  40  -1.325  -3.361   2.037
    5    HG3  PRO  40           HD3      PRO  40  -1.652  -3.431   4.726
    6    HD3  PRO  40           HXT      PRO  40  -0.039  -2.896   3.170
    7    HA   PRO  40           HB1      PRO  40   0.950  -6.334   3.707

  No H/Q in entry =           7
  In of MODEL   32
    1    H    SER  41           H        SER  41  -0.076  -8.366   4.228
    2    HG   SER  41           HXT      SER  41  -0.827 -12.515   2.588
    3    HA   SER  41           HB1      SER  41  -2.010  -9.234   2.180
    4    HB2  SER  41           HG2      SER  41   0.245 -10.218   1.871
    5    HB3  SER  41           HG3      SER  41   0.150 -10.902   3.493

  No H/Q in entry =           5
  In of MODEL   32
    1    H    TYR  42           H        TYR  42  -2.791  -8.131   4.656
    2    HD1  TYR  42           HD2      TYR  42  -3.182 -11.390   7.808
    3    HD2  TYR  42           HE1      TYR  42  -1.123  -7.697   8.274
    4    HE1  TYR  42           HE2      TYR  42  -1.355 -12.562   8.963
    5    HE2  TYR  42           HH       TYR  42   0.711  -8.858   9.429
    6    HH   TYR  42           HXT      TYR  42   0.448 -12.037  10.564
    7    HA   TYR  42           HB1      TYR  42  -3.805 -10.497   6.088
    8    HB2  TYR  42           HG2      TYR  42  -3.072  -7.743   7.023
    9    HB3  TYR  42           HG3      TYR  42  -4.248  -8.693   7.924

  No H/Q in entry =           9
  In of MODEL   32
    1    HB2  PRO  43           HG2      PRO  43  -8.433 -11.547   4.984
    2    HB3  PRO  43           HG3      PRO  43  -8.657 -10.917   3.348
    3    HG2  PRO  43           HD2      PRO  43  -6.877 -12.836   3.828
    4    HD2  PRO  43           HD3      PRO  43  -5.515 -11.934   5.454
    5    HG3  PRO  43           HD3      PRO  43  -6.524 -11.535   2.675
    6    HD3  PRO  43           HXT      PRO  43  -4.689 -11.253   4.038
    7    HA   PRO  43           HB1      PRO  43  -7.507  -8.973   3.798

  No H/Q in entry =           7
  In of MODEL   32
    1    H    GLY  44           H        GLY  44  -8.841  -7.564   4.732
    2    HA2  GLY  44           HA3      GLY  44 -10.163  -6.519   6.289
    3    HA3  GLY  44           HXT      GLY  44  -9.108  -7.233   7.500

  No H/Q in entry =           3
  In of MODEL   33
    1    H1   ALA   1           H1       ALA   1  13.865   6.903   8.144
    2    H2   ALA   1           H2       ALA   1  12.821   5.746   8.863
    3    H3   ALA   1           H3       ALA   1  14.411   5.965   9.471
    4    HA   ALA   1           HB1      ALA   1  15.378   5.061   7.594
    5    HB1  ALA   1           HB2      ALA   1  13.998   2.846   7.426
    6    HB2  ALA   1           HB3      ALA   1  14.809   3.280   8.931
    7    HB3  ALA   1           HXT      ALA   1  13.077   3.557   8.751

  No H/Q in entry =           7
  In of MODEL   33
    1    H    MET   2           H        MET   2  11.846   5.116   7.116
    2    HB2  MET   2           HG2      MET   2   9.652   4.994   4.254
    3    HB3  MET   2           HG3      MET   2  10.095   3.935   5.586
    4    HE1  MET   2           HE2      MET   2   9.979   8.359   6.870
    5    HE2  MET   2           HE3      MET   2   9.203   9.466   5.738
    6    HE3  MET   2           HXT      MET   2   8.287   8.804   7.092
    7    HA   MET   2           HB1      MET   2  12.064   4.653   4.299
    8    HG2  MET   2           HD2      MET   2   8.682   5.267   6.717
    9    HG3  MET   2           HD3      MET   2  10.122   6.271   6.877

  No H/Q in entry =           9
  In of MODEL   33
    1    H    ASP   3           H        ASP   3  12.357   6.086   2.721
    2    HA   ASP   3           HB1      ASP   3  12.227   8.943   3.404
    3    HB2  ASP   3           HG2      ASP   3  13.903   7.365   1.486
    4    HB3  ASP   3           HG3      ASP   3  13.600   9.071   1.170

  No H/Q in entry =           4
  In of MODEL   33
    1    H    CYS   4           H        CYS   4  11.346   6.584   0.917
    2    HA   CYS   4           HB1      CYS   4   8.961   8.009   0.272
    3    HB2  CYS   4           HG2      CYS   4  11.367   8.349  -1.423
    4    HB3  CYS   4           HG3      CYS   4   9.856   8.039  -2.271

  No H/Q in entry =           4
  In of MODEL   33
    1    H    THR   5           H        THR   5  11.317   5.614  -0.819
    2    HG1  THR   5          HG21      THR   5   9.400   3.533   1.508
    3   HG21  THR   5          HG22      THR   5  10.149   1.271  -0.992
    4   HG22  THR   5          HG23      THR   5   8.703   1.183   0.014
    5   HG23  THR   5           HXT      THR   5   8.570   1.644  -1.683
    6    HA   THR   5           HB1      THR   5  11.095   3.497  -1.622
    7    HB   THR   5          HG12      THR   5   8.376   3.600  -0.303

  No H/Q in entry =           7
  In of MODEL   33
    1    H    THR   6           H        THR   6   9.887   2.117  -3.160
    2    HG1  THR   6          HG21      THR   6  11.581   3.400  -6.044
    3   HG21  THR   6          HG22      THR   6   8.068   3.771  -6.998
    4   HG22  THR   6          HG23      THR   6   9.659   4.359  -7.479
    5   HG23  THR   6           HXT      THR   6   9.125   2.755  -7.978
    6    HA   THR   6           HB1      THR   6   8.003   3.625  -4.834
    7    HB   THR   6          HG12      THR   6  10.050   1.906  -6.166

  No H/Q in entry =           7
  In of MODEL   33
    1    H    GLY   7           H        GLY   7   6.188   2.499  -5.006
    2    HA2  GLY   7           HA3      GLY   7   5.667  -0.021  -4.108
    3    HA3  GLY   7           HXT      GLY   7   6.223  -0.278  -5.755

  No H/Q in entry =           3
  In of MODEL   33
    1    HB2  PRO   8           HG2      PRO   8   0.413  -1.365  -5.681
    2    HB3  PRO   8           HG3      PRO   8   1.552  -1.905  -6.919
    3    HG2  PRO   8           HD2      PRO   8   1.834  -1.946  -3.938
    4    HD2  PRO   8           HD3      PRO   8   4.100  -1.538  -4.028
    5    HG3  PRO   8           HD3      PRO   8   2.261  -3.198  -5.120
    6    HD3  PRO   8           HXT      PRO   8   4.246  -2.167  -5.681
    7    HA   PRO   8           HB1      PRO   8   2.037   0.338  -7.032

  No H/Q in entry =           7
  In of MODEL   33
    1    H    CYS   9           H        CYS   9   2.424   0.476  -3.557
    2    HA   CYS   9           HB1      CYS   9  -0.003   2.084  -3.275
    3    HB2  CYS   9           HG2      CYS   9   1.022   0.145  -1.666
    4    HB3  CYS   9           HG3      CYS   9   1.672   1.588  -0.895

  No H/Q in entry =           4
  In of MODEL   33
    1    H    CYS  10           H        CYS  10   2.093   3.254  -4.736
    2    HA   CYS  10           HB1      CYS  10   2.512   5.638  -3.146
    3    HB2  CYS  10           HG2      CYS  10   4.803   3.961  -4.169
    4    HB3  CYS  10           HG3      CYS  10   4.980   5.666  -3.771

  No H/Q in entry =           4
  In of MODEL   33
    1    H    ARG  11           H        ARG  11   2.500   7.447  -4.368
    2    HB2  ARG  11           HG2      ARG  11   1.947   9.758  -7.050
    3    HB3  ARG  11           HG3      ARG  11   0.866   9.058  -5.853
    4    HG2  ARG  11           HD2      ARG  11   2.158   9.695  -4.108
    5    HD2  ARG  11           HD3      ARG  11   3.526  11.621  -5.919
    6    HG3  ARG  11           HD3      ARG  11   3.662   9.517  -5.013
    7    HE   ARG  11          HH12      ARG  11   2.559  11.676  -3.216
    8   HH11  ARG  11          HH21      ARG  11   3.429  13.623  -5.978
    9   HH12  ARG  11          HH22      ARG  11   3.766  15.035  -5.034
   10    HD3  ARG  11           HXT      ARG  11   1.767  11.674  -5.801
   11   HH21  ARG  11           HXT      ARG  11   3.002  13.532  -1.972
   12   HH22  ARG  11           H1       ARG  11   3.525  14.983  -2.760
   13    HA   ARG  11           HB1      ARG  11   1.774   7.248  -7.105

  No H/Q in entry =          13
  In of MODEL   33
    1    H    GLN  12           H        GLN  12   4.760   7.742  -5.430
    2    HB2  GLN  12           HG2      GLN  12   7.368   9.318  -8.135
    3    HB3  GLN  12           HG3      GLN  12   5.870   8.778  -8.879
    4   HE21  GLN  12          HE22      GLN  12   3.361  10.120  -8.533
    5   HE22  GLN  12           HXT      GLN  12   3.407  11.325  -9.771
    6    HA   GLN  12           HB1      GLN  12   6.471   7.027  -7.422
    7    HG2  GLN  12           HD2      GLN  12   4.848  10.131  -6.818
    8    HG3  GLN  12           HD3      GLN  12   6.368  11.004  -7.004

  No H/Q in entry =           8
  In of MODEL   33
    1    H    CYS  13           H        CYS  13   5.822   9.115  -4.723
    2    HA   CYS  13           HB1      CYS  13   8.477   8.482  -3.646
    3    HB2  CYS  13           HG2      CYS  13   7.975  10.958  -4.638
    4    HB3  CYS  13           HG3      CYS  13   7.452  11.171  -2.971

  No H/Q in entry =           4
  In of MODEL   33
    1    H    LYS  14           H        LYS  14   5.259   9.815  -2.952
    2    HB2  LYS  14           HG2      LYS  14   4.245  11.150  -1.368
    3    HB3  LYS  14           HG3      LYS  14   2.899  10.035  -1.178
    4    HG2  LYS  14           HG3      LYS  14   2.699  11.020   0.825
    5    HG3  LYS  14           HD2      LYS  14   3.986   9.904   1.286
    6    HD2  LYS  14           HD3      LYS  14   5.459  11.922   0.289
    7    HE2  LYS  14           HE3      LYS  14   5.284  12.826   2.785
    8    HE3  LYS  14           HZ1      LYS  14   4.449  11.289   3.004
    9    HZ1  LYS  14           HZ2      LYS  14   7.024  11.323   1.594
   10    HZ2  LYS  14           HZ3      LYS  14   7.016  11.444   3.280
   11    HD3  LYS  14           HXT      LYS  14   4.061  12.828   0.871
   12    HZ3  LYS  14           HXT      LYS  14   6.327  10.096   2.525
   13    HA   LYS  14           HB1      LYS  14   5.494   9.070  -0.151

  No H/Q in entry =          13
  In of MODEL   33
    1    H    LEU  15           H        LEU  15   3.398   8.060   0.794
    2   HD11  LEU  15          HD12      LEU  15   5.276   6.459   1.322
    3   HD12  LEU  15          HD13      LEU  15   4.637   7.766   2.319
    4   HD13  LEU  15          HD21      LEU  15   5.514   6.433   3.069
    5   HD21  LEU  15          HD22      LEU  15   1.469   6.403   2.793
    6   HD22  LEU  15          HD23      LEU  15   2.567   6.984   4.044
    7   HD23  LEU  15           HXT      LEU  15   2.488   7.809   2.489
    8    HG   LEU  15           HXT      LEU  15   3.697   5.158   3.170
    9    HA   LEU  15           HB1      LEU  15   2.624   5.787  -0.912
   10    HB2  LEU  15           HG2      LEU  15   2.334   4.567   1.330
   11    HB3  LEU  15           HG3      LEU  15   3.954   4.786   0.702

  No H/Q in entry =          11
  In of MODEL   33
    1    H    LYS  16           H        LYS  16   0.518   4.891  -0.554
    2    HB2  LYS  16           HG2      LYS  16  -1.765   3.813   0.061
    3    HB3  LYS  16           HG3      LYS  16  -3.065   4.911  -0.382
    4    HG2  LYS  16           HG3      LYS  16  -0.667   4.211  -2.062
    5    HG3  LYS  16           HD2      LYS  16  -2.327   3.667  -2.313
    6    HD2  LYS  16           HD3      LYS  16  -2.841   6.232  -2.374
    7    HE2  LYS  16           HE3      LYS  16  -1.476   4.744  -4.611
    8    HE3  LYS  16           HZ1      LYS  16  -3.207   4.811  -4.278
    9    HZ1  LYS  16           HZ2      LYS  16  -1.520   7.133  -5.043
   10    HZ2  LYS  16           HZ3      LYS  16  -2.560   6.298  -6.082
   11    HD3  LYS  16           HXT      LYS  16  -1.123   6.365  -2.751
   12    HZ3  LYS  16           HXT      LYS  16  -3.189   7.165  -4.771
   13    HA   LYS  16           HB1      LYS  16  -1.517   6.794  -0.380

  No H/Q in entry =          13
  In of MODEL   33
    1    HB2  PRO  17           HG2      PRO  17  -5.063   7.456   3.938
    2    HB3  PRO  17           HG3      PRO  17  -4.058   8.807   3.404
    3    HG2  PRO  17           HD2      PRO  17  -5.473   6.737   1.775
    4    HD2  PRO  17           HD3      PRO  17  -3.813   6.676   0.168
    5    HG3  PRO  17           HD3      PRO  17  -5.316   8.479   1.484
    6    HD3  PRO  17           HXT      PRO  17  -3.179   8.271   0.624
    7    HA   PRO  17           HB1      PRO  17  -2.321   7.409   3.905

  No H/Q in entry =           7
  In of MODEL   33
    1    H    ALA  18           H        ALA  18  -2.822   6.324   5.777
    2    HA   ALA  18           HB1      ALA  18  -2.830   3.545   5.757
    3    HB1  ALA  18           HB2      ALA  18  -2.403   5.360   7.661
    4    HB2  ALA  18           HB3      ALA  18  -4.044   4.886   8.102
    5    HB3  ALA  18           HXT      ALA  18  -2.767   3.672   8.023

  No H/Q in entry =           5
  In of MODEL   33
    1    H    GLY  19           H        GLY  19  -4.366   2.310   4.885
    2    HA2  GLY  19           HA3      GLY  19  -7.169   2.886   5.622
    3    HA3  GLY  19           HXT      GLY  19  -6.526   1.267   5.395

  No H/Q in entry =           3
  In of MODEL   33
    1    H    THR  20           H        THR  20  -4.980   2.345   3.000
    2    HG1  THR  20          HG21      THR  20  -4.264   4.731   1.572
    3   HG21  THR  20          HG22      THR  20  -6.683   3.664  -0.960
    4   HG22  THR  20          HG23      THR  20  -5.209   4.612  -1.160
    5   HG23  THR  20           HXT      THR  20  -5.202   2.885  -1.518
    6    HA   THR  20           HB1      THR  20  -7.194   2.745   1.125
    7    HB   THR  20          HG12      THR  20  -4.233   2.918   0.555

  No H/Q in entry =           7
  In of MODEL   33
    1    H    THR  21           H        THR  21  -7.038   1.607  -0.992
    2    HG1  THR  21          HG21      THR  21  -9.196   0.483  -2.535
    3   HG21  THR  21          HG22      THR  21  -7.910  -2.268  -0.213
    4   HG22  THR  21          HG23      THR  21  -9.521  -1.686  -0.633
    5   HG23  THR  21           HXT      THR  21  -8.684  -2.814  -1.700
    6    HA   THR  21           HB1      THR  21  -6.223  -1.185  -0.553
    7    HB   THR  21          HG12      THR  21  -7.870  -1.094  -2.814

  No H/Q in entry =           7
  In of MODEL   33
    1    H    CYS  22           H        CYS  22  -4.875  -2.204  -1.951
    2    HA   CYS  22           HB1      CYS  22  -4.045  -0.774  -4.375
    3    HB2  CYS  22           HG2      CYS  22  -1.664  -1.523  -3.839
    4    HB3  CYS  22           HG3      CYS  22  -2.306  -0.190  -2.884

  No H/Q in entry =           4
  In of MODEL   33
    1    H    TRP  23           H        TRP  23  -3.861  -3.808  -2.537
    2    HE1  TRP  23           HE3      TRP  23  -0.633  -8.712  -5.904
    3    HE3  TRP  23           HZ2      TRP  23  -3.342  -8.900  -1.299
    4    HZ2  TRP  23           HZ3      TRP  23  -0.476 -11.234  -4.646
    5    HZ3  TRP  23           HH2      TRP  23  -2.676 -11.248  -0.990
    6    HH2  TRP  23           HXT      TRP  23  -1.273 -12.390  -2.630
    7    HA   TRP  23           HB1      TRP  23  -3.316  -5.330  -4.941
    8    HB2  TRP  23           HG2      TRP  23  -2.590  -5.726  -2.374
    9    HB3  TRP  23           HG3      TRP  23  -4.035  -6.731  -2.429
   10    HD1  TRP  23           HD2      TRP  23  -1.727  -6.422  -5.470

  No H/Q in entry =          10
  In of MODEL   33
    1    H    LYS  24           H        LYS  24  -4.651  -7.294  -5.406
    2    HB2  LYS  24           HG2      LYS  24  -7.633  -5.407  -5.679
    3    HB3  LYS  24           HG3      LYS  24  -6.987  -6.089  -7.166
    4    HG2  LYS  24           HG3      LYS  24  -9.386  -6.006  -7.287
    5    HG3  LYS  24           HD2      LYS  24  -8.859  -7.689  -7.215
    6    HD2  LYS  24           HD3      LYS  24  -9.336  -7.696  -4.789
    7    HE2  LYS  24           HE3      LYS  24 -11.051  -8.469  -6.347
    8    HE3  LYS  24           HZ1      LYS  24 -11.766  -7.681  -4.941
    9    HZ1  LYS  24           HZ2      LYS  24 -11.338  -6.377  -7.575
   10    HZ2  LYS  24           HZ3      LYS  24 -12.811  -7.016  -7.042
   11    HD3  LYS  24           HXT      LYS  24  -9.946  -6.046  -4.929
   12    HZ3  LYS  24           HXT      LYS  24 -12.118  -5.701  -6.235
   13    HA   LYS  24           HB1      LYS  24  -7.307  -7.556  -4.541

  No H/Q in entry =          13
  In of MODEL   33
    1    H    THR  25           H        THR  25  -6.311  -9.681  -4.574
    2    HG1  THR  25          HG21      THR  25  -3.950 -10.696  -5.019
    3   HG21  THR  25          HG22      THR  25  -4.138 -12.418  -6.980
    4   HG22  THR  25          HG23      THR  25  -3.742 -13.300  -5.505
    5   HG23  THR  25           HXT      THR  25  -5.153 -13.762  -6.457
    6    HA   THR  25           HB1      THR  25  -5.745 -10.892  -7.134
    7    HB   THR  25          HG12      THR  25  -6.060 -12.563  -4.696

  No H/Q in entry =           7
  In of MODEL   33
    1    H    SER  26           H        SER  26  -8.078 -10.188  -7.710
    2    HG   SER  26           HXT      SER  26  -7.971 -13.888  -8.125
    3    HA   SER  26           HB1      SER  26 -10.044 -10.985  -8.555
    4    HB2  SER  26           HG2      SER  26  -9.714 -13.550  -7.016
    5    HB3  SER  26           HG3      SER  26 -10.587 -13.277  -8.524

  No H/Q in entry =           5
  In of MODEL   33
    1    H    VAL  27           H        VAL  27  -9.615 -12.179  -5.239
    2    HB   VAL  27          HG12      VAL  27 -12.581 -12.561  -2.880
    3   HG11  VAL  27          HG12      VAL  27 -12.494 -13.016  -5.794
    4   HG12  VAL  27          HG13      VAL  27 -12.799 -14.435  -4.791
    5   HG13  VAL  27          HG21      VAL  27 -13.862 -13.032  -4.681
    6   HG21  VAL  27          HG22      VAL  27 -10.158 -13.867  -4.105
    7   HG22  VAL  27          HG23      VAL  27 -10.410 -13.426  -2.416
    8   HG23  VAL  27           HXT      VAL  27 -11.350 -14.734  -3.136
    9    HA   VAL  27           HB1      VAL  27 -12.102 -10.783  -4.511

  No H/Q in entry =           9
  In of MODEL   33
    1    H    SER  28           H        SER  28  -9.039 -12.096  -3.339
    2    HG   SER  28           HXT      SER  28  -7.614 -12.337   0.577
    3    HA   SER  28           HB1      SER  28  -9.164 -10.682  -0.846
    4    HB2  SER  28           HG2      SER  28  -7.880 -12.889  -1.472
    5    HB3  SER  28           HG3      SER  28  -6.605 -11.772  -1.959

  No H/Q in entry =           5
  In of MODEL   33
    1    H    SER  29           H        SER  29  -8.711  -8.614  -0.542
    2    HG   SER  29           HXT      SER  29  -8.479  -4.468  -2.982
    3    HA   SER  29           HB1      SER  29  -6.712  -7.322  -2.264
    4    HB2  SER  29           HG2      SER  29  -8.764  -6.577  -3.215
    5    HB3  SER  29           HG3      SER  29  -9.485  -6.309  -1.628

  No H/Q in entry =           5
  In of MODEL   33
    1    H    HIS  30           H        HIS  30  -5.123  -7.079  -0.790
    2    HD1  HIS  30           HD2      HIS  30  -1.424  -8.228   1.845
    3    HD2  HIS  30           HE1      HIS  30  -5.374  -8.917   0.753
    4    HE1  HIS  30           HE2      HIS  30  -1.701 -10.727   1.867
    5    HE2  HIS  30           HXT      HIS  30  -4.122 -11.116   1.288
    6    HA   HIS  30           HB1      HIS  30  -5.571  -6.447   1.944
    7    HB2  HIS  30           HG2      HIS  30  -3.049  -6.240   0.285
    8    HB3  HIS  30           HG3      HIS  30  -3.119  -6.128   2.041

  No H/Q in entry =           8
  In of MODEL   33
    1    H    TYR  31           H        TYR  31  -4.332  -4.495   2.917
    2    HD1  TYR  31           HD2      TYR  31  -6.910  -4.462   2.765
    3    HD2  TYR  31           HE1      TYR  31  -7.721  -0.297   2.460
    4    HE1  TYR  31           HE2      TYR  31  -9.158  -4.969   1.906
    5    HE2  TYR  31           HH       TYR  31  -9.971  -0.791   1.600
    6    HH   TYR  31           HXT      TYR  31 -11.133  -2.651   0.445
    7    HA   TYR  31           HB1      TYR  31  -4.808  -2.090   1.294
    8    HB2  TYR  31           HG2      TYR  31  -5.670  -2.524   4.160
    9    HB3  TYR  31           HG3      TYR  31  -5.701  -0.967   3.339

  No H/Q in entry =           9
  In of MODEL   33
    1    H    CYS  32           H        CYS  32  -3.842  -0.106   2.469
    2    HA   CYS  32           HB1      CYS  32  -1.183  -0.877   3.474
    3    HB2  CYS  32           HG2      CYS  32  -2.055   1.572   1.931
    4    HB3  CYS  32           HG3      CYS  32  -0.452   1.368   2.629

  No H/Q in entry =           4
  In of MODEL   33
    1    H    THR  33           H        THR  33  -0.169   0.656   4.990
    2    HG1  THR  33          HG21      THR  33  -0.801   0.859   9.667
    3   HG21  THR  33          HG22      THR  33   1.255   0.951   6.725
    4   HG22  THR  33          HG23      THR  33   1.363   0.750   8.474
    5   HG23  THR  33           HXT      THR  33   0.916  -0.618   7.455
    6    HA   THR  33           HB1      THR  33  -2.177   1.928   6.732
    7    HB   THR  33          HG12      THR  33  -1.205  -0.085   7.750

  No H/Q in entry =           7
  In of MODEL   33
    1    H    GLY  34           H        GLY  34  -0.546   3.060   4.504
    2    HA2  GLY  34           HA3      GLY  34   0.028   5.556   5.581
    3    HA3  GLY  34           HXT      GLY  34   0.659   4.961   4.053

  No H/Q in entry =           3
  In of MODEL   33
    1    H    ARG  35           H        ARG  35   2.101   2.740   5.281
    2    HB2  ARG  35           HG2      ARG  35   3.201   1.389   6.834
    3    HB3  ARG  35           HG3      ARG  35   4.909   1.663   7.144
    4    HG2  ARG  35           HD2      ARG  35   3.023   3.376   8.630
    5    HD2  ARG  35           HD3      ARG  35   5.258   1.727   9.738
    6    HG3  ARG  35           HD3      ARG  35   3.042   1.664   9.058
    7    HE   ARG  35          HH12      ARG  35   4.553   3.044  11.473
    8   HH11  ARG  35          HH21      ARG  35   4.777   4.994   8.588
    9   HH12  ARG  35          HH22      ARG  35   4.519   6.487   9.426
   10    HD3  ARG  35           HXT      ARG  35   5.606   3.181   8.805
   11   HH21  ARG  35           HXT      ARG  35   4.212   5.007  12.577
   12   HH22  ARG  35           H1       ARG  35   4.199   6.495  11.691
   13    HA   ARG  35           HB1      ARG  35   4.167   4.202   6.781

  No H/Q in entry =          13
  In of MODEL   33
    1    H    SER  36           H        SER  36   3.560   2.193   3.979
    2    HG   SER  36           HXT      SER  36   8.090   1.166   4.313
    3    HA   SER  36           HB1      SER  36   5.853   3.167   2.623
    4    HB2  SER  36           HG2      SER  36   6.019   0.485   3.937
    5    HB3  SER  36           HG3      SER  36   6.784   0.710   2.364

  No H/Q in entry =           5
  In of MODEL   33
    1    H    CYS  37           H        CYS  37   6.208   1.833   0.530
    2    HA   CYS  37           HB1      CYS  37   3.697   1.708  -0.808
    3    HB2  CYS  37           HG2      CYS  37   6.313   0.666  -1.888
    4    HB3  CYS  37           HG3      CYS  37   4.941   1.300  -2.791

  No H/Q in entry =           4
  In of MODEL   33
    1    H    GLU  38           H        GLU  38   5.844  -0.645   0.612
    2    HB2  GLU  38           HG2      GLU  38   6.306  -2.373   1.918
    3    HB3  GLU  38           HG3      GLU  38   5.599  -3.970   1.715
    4    HA   GLU  38           HB1      GLU  38   4.895  -2.964  -0.641
    5    HG2  GLU  38           HD2      GLU  38   7.943  -3.940   1.070
    6    HG3  GLU  38           HD3      GLU  38   6.903  -4.315  -0.303

  No H/Q in entry =           6
  In of MODEL   33
    1    H    CYS  39           H        CYS  39   2.736  -3.251  -0.801
    2    HA   CYS  39           HB1      CYS  39   0.815  -2.567   1.106
    3    HB2  CYS  39           HG2      CYS  39   0.739  -4.672  -1.061
    4    HB3  CYS  39           HG3      CYS  39  -0.667  -4.160  -0.133

  No H/Q in entry =           4
  In of MODEL   33
    1    HB2  PRO  40           HG2      PRO  40   0.260  -4.954   6.034
    2    HB3  PRO  40           HG3      PRO  40   1.838  -4.227   5.710
    3    HG2  PRO  40           HD2      PRO  40  -0.883  -3.297   4.875
    4    HD2  PRO  40           HD3      PRO  40  -0.108  -2.452   2.874
    5    HG3  PRO  40           HD3      PRO  40   0.476  -2.352   5.512
    6    HD3  PRO  40           HXT      PRO  40   1.556  -2.297   3.474
    7    HA   PRO  40           HB1      PRO  40   1.908  -5.820   4.056

  No H/Q in entry =           7
  In of MODEL   33
    1    H    SER  41           H        SER  41   0.474  -7.260   5.509
    2    HG   SER  41           HXT      SER  41   1.111  -9.442   4.352
    3    HA   SER  41           HB1      SER  41  -1.778  -8.177   3.866
    4    HB2  SER  41           HG2      SER  41  -0.286  -9.664   6.041
    5    HB3  SER  41           HG3      SER  41  -1.498 -10.340   4.953

  No H/Q in entry =           5
  In of MODEL   33
    1    H    TYR  42           H        TYR  42  -2.257  -5.950   5.456
    2    HD1  TYR  42           HD2      TYR  42  -4.089  -6.372  10.124
    3    HD2  TYR  42           HE1      TYR  42  -0.369  -5.170   8.447
    4    HE1  TYR  42           HE2      TYR  42  -2.916  -7.312  12.070
    5    HE2  TYR  42           HH       TYR  42   0.815  -6.107  10.388
    6    HH   TYR  42           HXT      TYR  42  -0.475  -6.737  13.202
    7    HA   TYR  42           HB1      TYR  42  -3.920  -7.050   7.626
    8    HB2  TYR  42           HG2      TYR  42  -2.330  -4.538   7.390
    9    HB3  TYR  42           HG3      TYR  42  -3.824  -4.485   8.320

  No H/Q in entry =           9
  In of MODEL   33
    1    HB2  PRO  43           HG2      PRO  43  -8.608  -7.353   6.312
    2    HB3  PRO  43           HG3      PRO  43  -8.580  -7.434   4.546
    3    HG2  PRO  43           HD2      PRO  43  -7.431  -9.338   6.008
    4    HD2  PRO  43           HD3      PRO  43  -5.941  -8.184   7.338
    5    HG3  PRO  43           HD3      PRO  43  -6.680  -8.766   4.506
    6    HD3  PRO  43           HXT      PRO  43  -4.898  -8.388   5.916
    7    HA   PRO  43           HB1      PRO  43  -6.955  -5.813   4.366

  No H/Q in entry =           7
  In of MODEL   33
    1    H    GLY  44           H        GLY  44  -9.359  -5.038   4.866
    2    HA2  GLY  44           HA3      GLY  44  -9.053  -2.731   6.569
    3    HA3  GLY  44           HXT      GLY  44 -10.217  -3.899   7.177

  No H/Q in entry =           3
  In of MODEL   34
    1    H1   ALA   1           H1       ALA   1  16.108  14.779   0.841
    2    H2   ALA   1           H2       ALA   1  17.769  15.137   1.065
    3    H3   ALA   1           H3       ALA   1  17.305  13.706   0.239
    4    HA   ALA   1           HB1      ALA   1  18.000  13.158   2.402
    5    HB1  ALA   1           HB2      ALA   1  17.771  15.141   3.620
    6    HB2  ALA   1           HB3      ALA   1  16.573  14.055   4.324
    7    HB3  ALA   1           HXT      ALA   1  16.068  15.312   3.194

  No H/Q in entry =           7
  In of MODEL   34
    1    H    MET   2           H        MET   2  16.605  11.876   4.039
    2    HB2  MET   2           HG2      MET   2  13.309  11.767   2.570
    3    HB3  MET   2           HG3      MET   2  12.820  10.510   3.699
    4    HE1  MET   2           HE2      MET   2  12.406  14.737   5.106
    5    HE2  MET   2           HE3      MET   2  10.788  14.563   4.426
    6    HE3  MET   2           HXT      MET   2  11.016  14.548   6.175
    7    HA   MET   2           HB1      MET   2  15.132  10.179   4.386
    8    HG2  MET   2           HD2      MET   2  13.985  12.085   5.448
    9    HG3  MET   2           HD3      MET   2  13.666  13.310   4.222

  No H/Q in entry =           9
  In of MODEL   34
    1    H    ASP   3           H        ASP   3  13.409   8.754   2.947
    2    HA   ASP   3           HB1      ASP   3  14.828   8.052   0.464
    3    HB2  ASP   3           HG2      ASP   3  14.000   6.297   2.746
    4    HB3  ASP   3           HG3      ASP   3  14.032   5.634   1.115

  No H/Q in entry =           4
  In of MODEL   34
    1    H    CYS   4           H        CYS   4  13.533   6.925  -1.126
    2    HA   CYS   4           HB1      CYS   4  10.716   7.743  -0.985
    3    HB2  CYS   4           HG2      CYS   4  12.655   7.371  -3.229
    4    HB3  CYS   4           HG3      CYS   4  10.937   7.163  -3.551

  No H/Q in entry =           4
  In of MODEL   34
    1    H    THR   5           H        THR   5   9.289   6.217  -0.524
    2    HG1  THR   5          HG21      THR   5   6.821   5.281   0.368
    3   HG21  THR   5          HG22      THR   5  10.024   3.149   1.264
    4   HG22  THR   5          HG23      THR   5   9.098   4.230   2.305
    5   HG23  THR   5           HXT      THR   5   8.497   2.608   1.961
    6    HA   THR   5           HB1      THR   5   9.982   3.415  -0.832
    7    HB   THR   5          HG12      THR   5   7.489   3.297   0.121

  No H/Q in entry =           7
  In of MODEL   34
    1    H    THR   6           H        THR   6   9.766   2.605  -2.821
    2    HG1  THR   6          HG21      THR   6   9.963   1.004  -5.026
    3   HG21  THR   6          HG22      THR   6   8.995   4.880  -5.410
    4   HG22  THR   6          HG23      THR   6  10.610   4.292  -5.012
    5   HG23  THR   6           HXT      THR   6  10.049   4.264  -6.683
    6    HA   THR   6           HB1      THR   6   7.422   3.379  -4.415
    7    HB   THR   6          HG12      THR   6   8.677   2.467  -6.345

  No H/Q in entry =           7
  In of MODEL   34
    1    H    GLY   7           H        GLY   7   5.859   1.949  -4.849
    2    HA2  GLY   7           HA3      GLY   7   5.714  -0.521  -3.514
    3    HA3  GLY   7           HXT      GLY   7   6.207  -0.817  -5.174

  No H/Q in entry =           3
  In of MODEL   34
    1    HB2  PRO   8           HG2      PRO   8   0.515  -2.463  -4.275
    2    HB3  PRO   8           HG3      PRO   8   1.639  -3.132  -5.465
    3    HG2  PRO   8           HD2      PRO   8   2.081  -2.545  -2.563
    4    HD2  PRO   8           HD3      PRO   8   4.274  -1.933  -2.895
    5    HG3  PRO   8           HD3      PRO   8   2.578  -3.962  -3.506
    6    HD3  PRO   8           HXT      PRO   8   4.416  -2.890  -4.383
    7    HA   PRO   8           HB1      PRO   8   1.857  -0.916  -6.045

  No H/Q in entry =           7
  In of MODEL   34
    1    H    CYS   9           H        CYS   9   2.449  -0.092  -2.688
    2    HA   CYS   9           HB1      CYS   9  -0.048   1.460  -2.627
    3    HB2  CYS   9           HG2      CYS   9   0.574  -0.297  -0.813
    4    HB3  CYS   9           HG3      CYS   9   1.671   0.945  -0.219

  No H/Q in entry =           4
  In of MODEL   34
    1    H    CYS  10           H        CYS  10   2.469   2.259  -3.968
    2    HA   CYS  10           HB1      CYS  10   2.719   4.873  -2.690
    3    HB2  CYS  10           HG2      CYS  10   5.152   3.311  -3.568
    4    HB3  CYS  10           HG3      CYS  10   5.124   4.875  -2.762

  No H/Q in entry =           4
  In of MODEL   34
    1    H    ARG  11           H        ARG  11   2.581   6.463  -4.137
    2    HB2  ARG  11           HG2      ARG  11   2.661   8.435  -5.234
    3    HB3  ARG  11           HG3      ARG  11   2.638   8.551  -6.988
    4    HG2  ARG  11           HD2      ARG  11   0.357   7.482  -6.912
    5    HD2  ARG  11           HD3      ARG  11   0.113   9.953  -5.320
    6    HG3  ARG  11           HD3      ARG  11   0.403   7.716  -5.163
    7    HE   ARG  11          HH12      ARG  11  -1.183   8.817  -7.616
    8   HH11  ARG  11          HH21      ARG  11  -0.609  11.758  -5.827
    9   HH12  ARG  11          HH22      ARG  11  -2.039  12.540  -6.411
   10    HD3  ARG  11           HXT      ARG  11   1.066  10.078  -6.798
   11   HH21  ARG  11           HXT      ARG  11  -3.065   9.844  -8.386
   12   HH22  ARG  11           H1       ARG  11  -3.434  11.454  -7.863
   13    HA   ARG  11           HB1      ARG  11   2.122   5.979  -6.857

  No H/Q in entry =          13
  In of MODEL   34
    1    H    GLN  12           H        GLN  12   4.733   8.143  -5.825
    2    HB2  GLN  12           HG2      GLN  12   5.977   9.580  -7.685
    3    HB3  GLN  12           HG3      GLN  12   7.482   8.909  -8.297
    4   HE21  GLN  12          HE22      GLN  12   8.135   8.371 -10.211
    5   HE22  GLN  12           HXT      GLN  12   8.015   9.438 -11.565
    6    HA   GLN  12           HB1      GLN  12   6.605   6.641  -7.514
    7    HG2  GLN  12           HD2      GLN  12   5.877   7.284  -9.577
    8    HG3  GLN  12           HD3      GLN  12   4.705   8.572  -9.306

  No H/Q in entry =           8
  In of MODEL   34
    1    H    CYS  13           H        CYS  13   6.027   7.612  -4.509
    2    HA   CYS  13           HB1      CYS  13   8.650   7.291  -3.597
    3    HB2  CYS  13           HG2      CYS  13   9.049   9.498  -4.581
    4    HB3  CYS  13           HG3      CYS  13   7.714  10.168  -3.651

  No H/Q in entry =           4
  In of MODEL   34
    1    H    LYS  14           H        LYS  14   5.592   8.962  -2.942
    2    HB2  LYS  14           HG2      LYS  14   4.975  10.552  -1.069
    3    HB3  LYS  14           HG3      LYS  14   3.473   9.702  -1.404
    4    HG2  LYS  14           HG3      LYS  14   2.905   9.548   0.791
    5    HG3  LYS  14           HD2      LYS  14   4.583   9.489   1.335
    6    HD2  LYS  14           HD3      LYS  14   4.118  11.600   2.014
    7    HE2  LYS  14           HE3      LYS  14   2.522  13.081   0.582
    8    HE3  LYS  14           HZ1      LYS  14   1.998  11.537  -0.089
    9    HZ1  LYS  14           HZ2      LYS  14   2.091  12.007   2.828
   10    HZ2  LYS  14           HZ3      LYS  14   0.738  12.431   1.906
   11    HD3  LYS  14           HXT      LYS  14   4.530  11.978   0.340
   12    HZ3  LYS  14           HXT      LYS  14   1.239  10.817   1.980
   13    HA   LYS  14           HB1      LYS  14   5.792   8.294  -0.111

  No H/Q in entry =          13
  In of MODEL   34
    1    H    LEU  15           H        LEU  15   3.793   7.431   0.962
    2   HD11  LEU  15          HD12      LEU  15   1.847   4.571   3.766
    3   HD12  LEU  15          HD13      LEU  15   3.505   4.289   4.297
    4   HD13  LEU  15          HD21      LEU  15   2.662   5.762   4.778
    5   HD21  LEU  15          HD22      LEU  15   5.311   5.137   2.281
    6   HD22  LEU  15          HD23      LEU  15   5.086   6.884   2.383
    7   HD23  LEU  15           HXT      LEU  15   5.130   5.913   3.855
    8    HG   LEU  15           HXT      LEU  15   2.853   6.721   2.694
    9    HA   LEU  15           HB1      LEU  15   2.753   5.199  -0.634
   10    HB2  LEU  15           HG2      LEU  15   2.065   4.358   1.704
   11    HB3  LEU  15           HG3      LEU  15   3.757   4.292   1.246

  No H/Q in entry =          11
  In of MODEL   34
    1    H    LYS  16           H        LYS  16   0.500   4.482  -0.045
    2    HB2  LYS  16           HG2      LYS  16  -2.003   3.814   0.325
    3    HB3  LYS  16           HG3      LYS  16  -3.035   4.970  -0.504
    4    HG2  LYS  16           HG3      LYS  16  -0.464   4.141  -1.762
    5    HG3  LYS  16           HD2      LYS  16  -1.859   3.062  -1.828
    6    HD2  LYS  16           HD3      LYS  16  -3.141   5.135  -2.673
    7    HE2  LYS  16           HE3      LYS  16  -1.107   4.355  -4.683
    8    HE3  LYS  16           HZ1      LYS  16  -2.078   3.067  -3.971
    9    HZ1  LYS  16           HZ2      LYS  16  -4.014   4.704  -4.549
   10    HZ2  LYS  16           HZ3      LYS  16  -2.911   5.291  -5.689
   11    HD3  LYS  16           HXT      LYS  16  -1.541   5.810  -2.986
   12    HZ3  LYS  16           HXT      LYS  16  -3.381   3.667  -5.726
   13    HA   LYS  16           HB1      LYS  16  -1.301   6.639  -0.481

  No H/Q in entry =          13
  In of MODEL   34
    1    HB2  PRO  17           HG2      PRO  17  -5.291   7.512   2.723
    2    HB3  PRO  17           HG3      PRO  17  -4.554   8.994   3.341
    3    HG2  PRO  17           HD2      PRO  17  -5.167   8.758   0.762
    4    HD2  PRO  17           HD3      PRO  17  -4.036   6.856   0.109
    5    HG3  PRO  17           HD3      PRO  17  -3.682   9.581   1.274
    6    HD3  PRO  17           HXT      PRO  17  -2.723   8.026  -0.132
    7    HA   PRO  17           HB1      PRO  17  -2.470   8.038   3.520

  No H/Q in entry =           7
  In of MODEL   34
    1    H    ALA  18           H        ALA  18  -2.985   7.252   5.525
    2    HA   ALA  18           HB1      ALA  18  -2.951   4.497   5.957
    3    HB1  ALA  18           HB2      ALA  18  -2.403   6.429   7.569
    4    HB2  ALA  18           HB3      ALA  18  -4.124   6.396   7.956
    5    HB3  ALA  18           HXT      ALA  18  -3.130   4.965   8.230

  No H/Q in entry =           5
  In of MODEL   34
    1    H    GLY  19           H        GLY  19  -4.477   3.136   5.264
    2    HA2  GLY  19           HA3      GLY  19  -7.280   3.773   5.934
    3    HA3  GLY  19           HXT      GLY  19  -6.620   2.146   5.865

  No H/Q in entry =           3
  In of MODEL   34
    1    H    THR  20           H        THR  20  -5.112   2.873   3.372
    2    HG1  THR  20          HG21      THR  20  -5.409   5.787   1.530
    3   HG21  THR  20          HG22      THR  20  -6.886   3.240  -0.762
    4   HG22  THR  20          HG23      THR  20  -6.584   4.977  -0.795
    5   HG23  THR  20           HXT      THR  20  -5.288   3.850  -1.193
    6    HA   THR  20           HB1      THR  20  -7.398   2.764   1.516
    7    HB   THR  20          HG12      THR  20  -4.667   3.917   0.926

  No H/Q in entry =           7
  In of MODEL   34
    1    H    THR  21           H        THR  21  -7.477   1.093   0.138
    2    HG1  THR  21          HG21      THR  21  -7.555  -2.525  -2.430
    3   HG21  THR  21          HG22      THR  21  -7.558   0.876  -1.845
    4   HG22  THR  21          HG23      THR  21  -7.877  -0.393  -3.029
    5   HG23  THR  21           HXT      THR  21  -9.044  -0.070  -1.746
    6    HA   THR  21           HB1      THR  21  -5.885  -1.174   0.501
    7    HB   THR  21          HG12      THR  21  -8.027  -1.512  -0.425

  No H/Q in entry =           7
  In of MODEL   34
    1    H    CYS  22           H        CYS  22  -4.735  -2.270  -1.421
    2    HA   CYS  22           HB1      CYS  22  -3.205  -0.396  -3.048
    3    HB2  CYS  22           HG2      CYS  22  -1.075  -1.641  -2.350
    4    HB3  CYS  22           HG3      CYS  22  -1.739  -0.479  -1.207

  No H/Q in entry =           4
  In of MODEL   34
    1    H    TRP  23           H        TRP  23  -3.677  -3.797  -2.135
    2    HE1  TRP  23           HE3      TRP  23  -0.876  -8.861  -5.449
    3    HE3  TRP  23           HZ2      TRP  23  -5.178  -8.779  -2.277
    4    HZ2  TRP  23           HZ3      TRP  23  -1.864 -11.443  -4.881
    5    HZ3  TRP  23           HH2      TRP  23  -5.290 -11.236  -2.346
    6    HH2  TRP  23           HXT      TRP  23  -3.666 -12.539  -3.622
    7    HA   TRP  23           HB1      TRP  23  -2.623  -4.904  -4.497
    8    HB2  TRP  23           HG2      TRP  23  -3.376  -5.965  -2.158
    9    HB3  TRP  23           HG3      TRP  23  -4.818  -6.339  -3.097
   10    HD1  TRP  23           HD2      TRP  23  -1.458  -6.422  -4.871

  No H/Q in entry =          10
  In of MODEL   34
    1    H    LYS  24           H        LYS  24  -6.042  -4.897  -3.553
    2    HB2  LYS  24           HG2      LYS  24  -7.093  -2.505  -5.131
    3    HB3  LYS  24           HG3      LYS  24  -6.345  -3.058  -6.623
    4    HG2  LYS  24           HG3      LYS  24  -8.316  -3.163  -7.740
    5    HG3  LYS  24           HD2      LYS  24  -9.243  -3.562  -6.292
    6    HD2  LYS  24           HD3      LYS  24  -9.957  -1.429  -6.490
    7    HE2  LYS  24           HE3      LYS  24  -8.748  -1.162  -8.665
    8    HE3  LYS  24           HZ1      LYS  24  -8.898   0.314  -7.713
    9    HZ1  LYS  24           HZ2      LYS  24  -6.561  -0.581  -6.838
   10    HZ2  LYS  24           HZ3      LYS  24  -6.524  -1.213  -8.408
   11    HD3  LYS  24           HXT      LYS  24  -8.437  -1.065  -5.670
   12    HZ3  LYS  24           HXT      LYS  24  -6.710   0.451  -8.170
   13    HA   LYS  24           HB1      LYS  24  -7.961  -4.819  -4.774

  No H/Q in entry =          13
  In of MODEL   34
    1    H    THR  25           H        THR  25  -7.529  -7.122  -5.257
    2    HG1  THR  25          HG21      THR  25  -5.497 -10.229  -8.271
    3   HG21  THR  25          HG22      THR  25  -6.028  -8.390  -4.906
    4   HG22  THR  25          HG23      THR  25  -6.564 -10.037  -5.240
    5   HG23  THR  25           HXT      THR  25  -4.860  -9.613  -5.405
    6    HA   THR  25           HB1      THR  25  -7.235  -7.509  -8.159
    7    HB   THR  25          HG12      THR  25  -5.218  -8.389  -7.337

  No H/Q in entry =           7
  In of MODEL   34
    1    H    SER  26           H        SER  26  -8.087  -9.780  -8.774
    2    HG   SER  26           HXT      SER  26  -8.486 -12.423 -10.315
    3    HA   SER  26           HB1      SER  26 -10.824  -9.860  -8.280
    4    HB2  SER  26           HG2      SER  26 -10.637 -12.234  -9.243
    5    HB3  SER  26           HG3      SER  26 -10.074 -10.906 -10.257

  No H/Q in entry =           5
  In of MODEL   34
    1    H    VAL  27           H        VAL  27  -8.224 -11.120  -6.402
    2    HB   VAL  27          HG12      VAL  27  -7.098 -12.044  -4.255
    3   HG11  VAL  27          HG12      VAL  27  -8.780 -13.515  -2.741
    4   HG12  VAL  27          HG13      VAL  27  -7.937 -14.792  -3.618
    5   HG13  VAL  27          HG21      VAL  27  -7.023 -13.630  -2.657
    6   HG21  VAL  27          HG22      VAL  27  -7.683 -13.294  -6.598
    7   HG22  VAL  27          HG23      VAL  27  -6.129 -13.394  -5.769
    8   HG23  VAL  27           HXT      VAL  27  -7.329 -14.667  -5.550
    9    HA   VAL  27           HB1      VAL  27  -9.841 -13.058  -4.998

  No H/Q in entry =           9
  In of MODEL   34
    1    H    SER  28           H        SER  28  -8.194 -10.039  -4.131
    2    HG   SER  28           HXT      SER  28  -8.958  -9.084   0.615
    3    HA   SER  28           HB1      SER  28 -10.303  -8.981  -2.631
    4    HB2  SER  28           HG2      SER  28  -9.814 -10.876  -1.105
    5    HB3  SER  28           HG3      SER  28  -8.168 -10.274  -0.914

  No H/Q in entry =           5
  In of MODEL   34
    1    H    SER  29           H        SER  29  -8.980  -7.539  -0.679
    2    HG   SER  29           HXT      SER  29 -10.204  -5.305  -2.239
    3    HA   SER  29           HB1      SER  29  -6.741  -6.220  -2.026
    4    HB2  SER  29           HG2      SER  29  -8.014  -4.024  -1.136
    5    HB3  SER  29           HG3      SER  29  -8.249  -4.669  -2.761

  No H/Q in entry =           5
  In of MODEL   34
    1    H    HIS  30           H        HIS  30  -5.431  -4.930  -0.630
    2    HD1  HIS  30           HD2      HIS  30  -3.342  -7.878   3.101
    3    HD2  HIS  30           HE1      HIS  30  -4.110  -7.381  -0.953
    4    HE1  HIS  30           HE2      HIS  30  -3.364 -10.198   2.131
    5    HE2  HIS  30           HXT      HIS  30  -3.916  -9.877  -0.306
    6    HA   HIS  30           HB1      HIS  30  -5.785  -5.587   2.222
    7    HB2  HIS  30           HG2      HIS  30  -3.210  -5.145   0.696
    8    HB3  HIS  30           HG3      HIS  30  -3.329  -5.476   2.421

  No H/Q in entry =           8
  In of MODEL   34
    1    H    TYR  31           H        TYR  31  -6.397  -3.879   3.361
    2    HD1  TYR  31           HD2      TYR  31  -8.257  -2.547   2.040
    3    HD2  TYR  31           HE1      TYR  31  -8.741   0.385   5.084
    4    HE1  TYR  31           HE2      TYR  31 -10.335  -1.789   0.969
    5    HE2  TYR  31           HH       TYR  31 -10.823   1.151   4.023
    6    HH   TYR  31           HXT      TYR  31 -11.670   0.525   0.973
    7    HA   TYR  31           HB1      TYR  31  -6.096  -1.202   2.432
    8    HB2  TYR  31           HG2      TYR  31  -7.280  -2.536   4.796
    9    HB3  TYR  31           HG3      TYR  31  -6.780  -0.863   5.019

  No H/Q in entry =           9
  In of MODEL   34
    1    H    CYS  32           H        CYS  32  -4.293  -0.055   2.498
    2    HA   CYS  32           HB1      CYS  32  -2.016  -0.819   4.008
    3    HB2  CYS  32           HG2      CYS  32  -2.701   1.641   2.408
    4    HB3  CYS  32           HG3      CYS  32  -1.176   1.492   3.274

  No H/Q in entry =           4
  In of MODEL   34
    1    H    THR  33           H        THR  33  -1.134   0.035   5.858
    2    HG1  THR  33          HG21      THR  33  -1.334   0.354  10.408
    3   HG21  THR  33          HG22      THR  33   0.482   0.647   7.638
    4   HG22  THR  33          HG23      THR  33   0.465  -0.032   9.266
    5   HG23  THR  33           HXT      THR  33   0.036  -1.041   7.885
    6    HA   THR  33           HB1      THR  33  -2.985   1.555   7.536
    7    HB   THR  33          HG12      THR  33  -2.066  -0.539   8.440

  No H/Q in entry =           7
  In of MODEL   34
    1    H    GLY  34           H        GLY  34  -1.203   2.672   5.342
    2    HA2  GLY  34           HA3      GLY  34  -0.641   5.145   6.448
    3    HA3  GLY  34           HXT      GLY  34   0.114   4.520   4.990

  No H/Q in entry =           3
  In of MODEL   34
    1    H    ARG  35           H        ARG  35   1.306   2.251   6.498
    2    HB2  ARG  35           HG2      ARG  35   1.898   1.536   8.834
    3    HB3  ARG  35           HG3      ARG  35   3.267   0.736   8.073
    4    HG2  ARG  35           HD2      ARG  35   4.638   2.414   9.575
    5    HD2  ARG  35           HD3      ARG  35   4.268  -0.213   9.631
    6    HG3  ARG  35           HD3      ARG  35   3.159   2.387  10.537
    7    HE   ARG  35          HH12      ARG  35   2.303   0.414  11.376
    8   HH11  ARG  35          HH21      ARG  35   5.398  -1.157  11.741
    9   HH12  ARG  35          HH22      ARG  35   4.883  -2.140  13.070
   10    HD3  ARG  35           HXT      ARG  35   5.130   0.643  10.910
   11   HH21  ARG  35           HXT      ARG  35   1.624  -0.878  13.124
   12   HH22  ARG  35           H1       ARG  35   2.740  -1.982  13.855
   13    HA   ARG  35           HB1      ARG  35   3.302   3.703   8.094

  No H/Q in entry =          13
  In of MODEL   34
    1    H    SER  36           H        SER  36   2.880   1.549   5.361
    2    HG   SER  36           HXT      SER  36   5.610  -1.448   5.180
    3    HA   SER  36           HB1      SER  36   5.291   2.388   4.141
    4    HB2  SER  36           HG2      SER  36   6.471   0.183   4.182
    5    HB3  SER  36           HG3      SER  36   6.387   0.966   5.760

  No H/Q in entry =           5
  In of MODEL   34
    1    H    CYS  37           H        CYS  37   5.812   0.893   2.199
    2    HA   CYS  37           HB1      CYS  37   3.417   0.646   0.676
    3    HB2  CYS  37           HG2      CYS  37   6.157   0.873   0.124
    4    HB3  CYS  37           HG3      CYS  37   5.682  -0.688  -0.534

  No H/Q in entry =           4
  In of MODEL   34
    1    H    GLU  38           H        GLU  38   5.459  -1.575   2.429
    2    HB2  GLU  38           HG2      GLU  38   5.434  -3.460   4.153
    3    HB3  GLU  38           HG3      GLU  38   5.385  -5.037   3.376
    4    HA   GLU  38           HB1      GLU  38   4.629  -3.990   1.287
    5    HG2  GLU  38           HD2      GLU  38   7.083  -2.829   2.283
    6    HG3  GLU  38           HD3      GLU  38   7.644  -3.845   3.611

  No H/Q in entry =           6
  In of MODEL   34
    1    H    CYS  39           H        CYS  39   2.456  -4.160   0.927
    2    HA   CYS  39           HB1      CYS  39   0.438  -3.448   2.752
    3    HB2  CYS  39           HG2      CYS  39   0.312  -5.508   0.539
    4    HB3  CYS  39           HG3      CYS  39  -1.067  -4.739   1.319

  No H/Q in entry =           4
  In of MODEL   34
    1    HB2  PRO  40           HG2      PRO  40  -2.153  -6.841   6.376
    2    HB3  PRO  40           HG3      PRO  40  -1.052  -5.554   6.883
    3    HG2  PRO  40           HD2      PRO  40  -3.057  -5.564   4.660
    4    HD2  PRO  40           HD3      PRO  40  -1.746  -4.234   3.311
    5    HG3  PRO  40           HD3      PRO  40  -2.705  -4.291   5.843
    6    HD3  PRO  40           HXT      PRO  40  -0.852  -3.555   4.686
    7    HA   PRO  40           HB1      PRO  40   0.462  -6.773   5.654

  No H/Q in entry =           7
  In of MODEL   34
    1    H    SER  41           H        SER  41  -0.860  -8.821   6.209
    2    HG   SER  41           HXT      SER  41   0.974 -10.345   4.429
    3    HA   SER  41           HB1      SER  41  -1.516 -10.177   3.680
    4    HB2  SER  41           HG2      SER  41  -0.808 -11.656   6.192
    5    HB3  SER  41           HG3      SER  41  -0.600 -12.150   4.512

  No H/Q in entry =           5
  In of MODEL   34
    1    H    TYR  42           H        TYR  42  -3.387  -8.595   5.239
    2    HD1  TYR  42           HD2      TYR  42  -5.820 -10.199   9.555
    3    HD2  TYR  42           HE1      TYR  42  -2.606  -8.568   7.294
    4    HE1  TYR  42           HE2      TYR  42  -4.245 -10.875  11.318
    5    HE2  TYR  42           HH       TYR  42  -1.022  -9.240   9.050
    6    HH   TYR  42           HXT      TYR  42  -0.848 -10.809  10.873
    7    HA   TYR  42           HB1      TYR  42  -5.263 -10.717   6.054
    8    HB2  TYR  42           HG2      TYR  42  -5.174  -7.862   7.052
    9    HB3  TYR  42           HG3      TYR  42  -6.296  -9.112   7.579

  No H/Q in entry =           9
  In of MODEL   34
    1    HB2  PRO  43           HG2      PRO  43  -8.453 -11.426   2.418
    2    HB3  PRO  43           HG3      PRO  43  -7.704 -10.720   0.982
    3    HG2  PRO  43           HD2      PRO  43  -6.565 -12.775   2.230
    4    HD2  PRO  43           HD3      PRO  43  -6.315 -12.029   4.399
    5    HG3  PRO  43           HD3      PRO  43  -5.583 -11.458   1.563
    6    HD3  PRO  43           HXT      PRO  43  -4.811 -11.363   3.732
    7    HA   PRO  43           HB1      PRO  43  -6.934  -8.877   2.127

  No H/Q in entry =           7
  In of MODEL   34
    1    H    GLY  44           H        GLY  44  -8.719  -7.635   1.983
    2    HA2  GLY  44           HA3      GLY  44 -10.637  -6.552   2.633
    3    HA3  GLY  44           HXT      GLY  44 -10.362  -7.208   4.240

  No H/Q in entry =           3
  In of MODEL   35
    1    H1   ALA   1           H1       ALA   1  17.615   9.759   4.735
    2    H2   ALA   1           H2       ALA   1  16.792  10.795   5.824
    3    H3   ALA   1           H3       ALA   1  15.908   9.909   4.650
    4    HA   ALA   1           HB1      ALA   1  15.988  12.003   3.800
    5    HB1  ALA   1           HB2      ALA   1  18.011  12.445   5.516
    6    HB2  ALA   1           HB3      ALA   1  18.905  12.380   3.997
    7    HB3  ALA   1           HXT      ALA   1  17.592  13.539   4.197

  No H/Q in entry =           7
  In of MODEL   35
    1    H    MET   2           H        MET   2  16.396  12.492   1.633
    2    HB2  MET   2           HG2      MET   2  19.257  12.080   0.675
    3    HB3  MET   2           HG3      MET   2  19.261  10.420   0.096
    4    HE1  MET   2           HE2      MET   2  20.658  14.195  -0.426
    5    HE2  MET   2           HE3      MET   2  21.093  12.898   0.687
    6    HE3  MET   2           HXT      MET   2  22.338  13.679  -0.287
    7    HA   MET   2           HB1      MET   2  16.860  12.038  -0.546
    8    HG2  MET   2           HD2      MET   2  18.972  11.147  -2.170
    9    HG3  MET   2           HD3      MET   2  18.765  12.819  -1.649

  No H/Q in entry =           9
  In of MODEL   35
    1    H    ASP   3           H        ASP   3  15.188  10.227   0.903
    2    HA   ASP   3           HB1      ASP   3  15.610   7.810  -0.716
    3    HB2  ASP   3           HG2      ASP   3  15.114   8.015   2.225
    4    HB3  ASP   3           HG3      ASP   3  14.428   6.653   1.344

  No H/Q in entry =           4
  In of MODEL   35
    1    H    CYS   4           H        CYS   4  13.867   7.135  -1.817
    2    HA   CYS   4           HB1      CYS   4  11.335   8.546  -1.328
    3    HB2  CYS   4           HG2      CYS   4  12.646   7.456  -3.781
    4    HB3  CYS   4           HG3      CYS   4  10.887   7.523  -3.728

  No H/Q in entry =           4
  In of MODEL   35
    1    H    THR   5           H        THR   5   9.364   7.402  -1.362
    2    HG1  THR   5          HG21      THR   5   6.754   7.142  -0.766
    3   HG21  THR   5          HG22      THR   5   9.306   5.275   1.554
    4   HG22  THR   5          HG23      THR   5   8.177   6.553   2.002
    5   HG23  THR   5           HXT      THR   5   7.640   4.874   1.972
    6    HA   THR   5           HB1      THR   5   9.629   4.638  -0.460
    7    HB   THR   5          HG12      THR   5   7.017   5.129  -0.128

  No H/Q in entry =           7
  In of MODEL   35
    1    H    THR   6           H        THR   6   9.607   3.173  -2.041
    2    HG1  THR   6          HG21      THR   6  10.075   1.039  -3.462
    3   HG21  THR   6          HG22      THR   6   9.697   4.589  -5.038
    4   HG22  THR   6          HG23      THR   6  11.248   3.774  -4.833
    5   HG23  THR   6           HXT      THR   6  10.335   3.571  -6.329
    6    HA   THR   6           HB1      THR   6   7.726   3.542  -4.274
    7    HB   THR   6          HG12      THR   6   9.171   1.896  -5.480

  No H/Q in entry =           7
  In of MODEL   35
    1    H    GLY   7           H        GLY   7   6.665   1.613  -5.114
    2    HA2  GLY   7           HA3      GLY   7   5.985  -0.229  -2.919
    3    HA3  GLY   7           HXT      GLY   7   6.404  -0.873  -4.499

  No H/Q in entry =           3
  In of MODEL   35
    1    HB2  PRO   8           HG2      PRO   8   0.764  -2.278  -3.970
    2    HB3  PRO   8           HG3      PRO   8   1.853  -2.871  -5.228
    3    HG2  PRO   8           HD2      PRO   8   2.345  -2.552  -2.293
    4    HD2  PRO   8           HD3      PRO   8   4.560  -1.992  -2.603
    5    HG3  PRO   8           HD3      PRO   8   2.791  -3.895  -3.362
    6    HD3  PRO   8           HXT      PRO   8   4.640  -2.790  -4.187
    7    HA   PRO   8           HB1      PRO   8   2.148  -0.627  -5.623

  No H/Q in entry =           7
  In of MODEL   35
    1    H    CYS   9           H        CYS   9   2.630  -0.227  -2.153
    2    HA   CYS   9           HB1      CYS   9   0.193   1.388  -1.971
    3    HB2  CYS   9           HG2      CYS   9   0.638  -0.417  -0.283
    4    HB3  CYS   9           HG3      CYS   9   2.028   0.513   0.267

  No H/Q in entry =           4
  In of MODEL   35
    1    H    CYS  10           H        CYS  10   2.555   2.343  -3.370
    2    HA   CYS  10           HB1      CYS  10   2.823   4.878  -1.991
    3    HB2  CYS  10           HG2      CYS  10   5.196   3.100  -2.563
    4    HB3  CYS  10           HG3      CYS  10   5.339   4.827  -2.256

  No H/Q in entry =           4
  In of MODEL   35
    1    H    ARG  11           H        ARG  11   3.358   6.583  -3.351
    2    HB2  ARG  11           HG2      ARG  11   2.323   8.234  -4.556
    3    HB3  ARG  11           HG3      ARG  11   2.838   8.579  -6.202
    4    HG2  ARG  11           HD2      ARG  11   1.227   6.816  -6.971
    5    HD2  ARG  11           HD3      ARG  11  -0.397   8.780  -5.469
    6    HG3  ARG  11           HD3      ARG  11   0.619   6.755  -5.315
    7    HE   ARG  11          HH12      ARG  11  -1.628   8.108  -7.277
    8   HH11  ARG  11          HH21      ARG  11   1.609   8.869  -8.335
    9   HH12  ARG  11          HH22      ARG  11   1.224   8.736 -10.018
   10    HD3  ARG  11           HXT      ARG  11   0.820   9.428  -6.568
   11   HH21  ARG  11           HXT      ARG  11  -2.136   7.932  -9.491
   12   HH22  ARG  11           H1       ARG  11  -0.901   8.205 -10.675
   13    HA   ARG  11           HB1      ARG  11   3.230   5.935  -6.211

  No H/Q in entry =          13
  In of MODEL   35
    1    H    GLN  12           H        GLN  12   5.564   5.347  -5.982
    2    HB2  GLN  12           HG2      GLN  12   6.872   8.621  -7.074
    3    HB3  GLN  12           HG3      GLN  12   8.292   7.802  -7.709
    4   HE21  GLN  12          HE22      GLN  12   4.343   6.157  -9.431
    5   HE22  GLN  12           HXT      GLN  12   3.194   7.419  -9.163
    6    HA   GLN  12           HB1      GLN  12   7.723   5.775  -6.551
    7    HG2  GLN  12           HD2      GLN  12   6.996   7.569  -9.526
    8    HG3  GLN  12           HD3      GLN  12   6.385   6.170  -8.643

  No H/Q in entry =           8
  In of MODEL   35
    1    H    CYS  13           H        CYS  13   6.705   8.864  -5.129
    2    HA   CYS  13           HB1      CYS  13   8.574   8.383  -2.912
    3    HB2  CYS  13           HG2      CYS  13   9.241  10.079  -4.879
    4    HB3  CYS  13           HG3      CYS  13   8.285  11.176  -3.888

  No H/Q in entry =           4
  In of MODEL   35
    1    H    LYS  14           H        LYS  14   5.796   7.951  -2.874
    2    HB2  LYS  14           HG2      LYS  14   3.325   9.518  -3.166
    3    HB3  LYS  14           HG3      LYS  14   2.891  10.333  -1.670
    4    HG2  LYS  14           HG3      LYS  14   4.898  11.815  -2.035
    5    HG3  LYS  14           HD2      LYS  14   5.014  11.109  -3.648
    6    HD2  LYS  14           HD3      LYS  14   3.675  12.838  -4.209
    7    HE2  LYS  14           HE3      LYS  14   3.777  14.026  -2.151
    8    HE3  LYS  14           HZ1      LYS  14   2.080  13.920  -2.614
    9    HZ1  LYS  14           HZ2      LYS  14   1.890  11.995  -1.093
   10    HZ2  LYS  14           HZ3      LYS  14   3.475  12.279  -0.572
   11    HD3  LYS  14           HXT      LYS  14   2.401  11.777  -3.604
   12    HZ3  LYS  14           HXT      LYS  14   2.274  13.438  -0.300
   13    HA   LYS  14           HB1      LYS  14   5.068   9.720  -0.703

  No H/Q in entry =          13
  In of MODEL   35
    1    H    LEU  15           H        LEU  15   3.601   8.817   0.711
    2   HD11  LEU  15          HD12      LEU  15   4.455   6.224   4.563
    3   HD12  LEU  15          HD13      LEU  15   5.699   5.131   3.958
    4   HD13  LEU  15          HD21      LEU  15   5.681   6.817   3.443
    5   HD21  LEU  15          HD22      LEU  15   2.557   4.477   3.372
    6   HD22  LEU  15          HD23      LEU  15   3.193   3.823   1.863
    7   HD23  LEU  15           HXT      LEU  15   4.103   3.629   3.361
    8    HG   LEU  15           HXT      LEU  15   4.801   5.471   1.667
    9    HA   LEU  15           HB1      LEU  15   3.032   5.982   0.254
   10    HB2  LEU  15           HG2      LEU  15   3.587   7.651   2.599
   11    HB3  LEU  15           HG3      LEU  15   2.273   6.515   2.839

  No H/Q in entry =          11
  In of MODEL   35
    1    H    LYS  16           H        LYS  16   0.983   5.112   0.408
    2    HB2  LYS  16           HG2      LYS  16  -0.966   3.898   0.188
    3    HB3  LYS  16           HG3      LYS  16  -2.514   4.677  -0.108
    4    HG2  LYS  16           HG3      LYS  16  -1.463   5.607  -2.228
    5    HG3  LYS  16           HD2      LYS  16  -0.160   4.450  -1.951
    6    HD2  LYS  16           HD3      LYS  16  -1.668   2.605  -2.100
    7    HE2  LYS  16           HE3      LYS  16  -0.977   3.898  -4.234
    8    HE3  LYS  16           HZ1      LYS  16  -2.235   2.667  -4.341
    9    HZ1  LYS  16           HZ2      LYS  16  -3.884   4.481  -4.118
   10    HZ2  LYS  16           HZ3      LYS  16  -2.623   5.606  -4.208
   11    HD3  LYS  16           HXT      LYS  16  -3.069   3.679  -2.104
   12    HZ3  LYS  16           HXT      LYS  16  -2.949   4.594  -5.523
   13    HA   LYS  16           HB1      LYS  16  -1.173   6.864  -0.282

  No H/Q in entry =          13
  In of MODEL   35
    1    HB2  PRO  17           HG2      PRO  17  -5.642   7.484   3.127
    2    HB3  PRO  17           HG3      PRO  17  -4.625   8.832   2.607
    3    HG2  PRO  17           HD2      PRO  17  -5.557   6.453   1.049
    4    HD2  PRO  17           HD3      PRO  17  -3.609   6.344  -0.181
    5    HG3  PRO  17           HD3      PRO  17  -5.479   8.154   0.554
    6    HD3  PRO  17           HXT      PRO  17  -3.217   8.051   0.110
    7    HA   PRO  17           HB1      PRO  17  -2.980   7.626   3.661

  No H/Q in entry =           7
  In of MODEL   35
    1    H    ALA  18           H        ALA  18  -3.642   6.565   5.474
    2    HA   ALA  18           HB1      ALA  18  -3.591   3.775   5.559
    3    HB1  ALA  18           HB2      ALA  18  -3.259   5.516   7.443
    4    HB2  ALA  18           HB3      ALA  18  -5.004   5.375   7.656
    5    HB3  ALA  18           HXT      ALA  18  -3.976   3.954   7.838

  No H/Q in entry =           5
  In of MODEL   35
    1    H    GLY  19           H        GLY  19  -5.334   2.326   6.320
    2    HA2  GLY  19           HA3      GLY  19  -8.058   2.952   6.175
    3    HA3  GLY  19           HXT      GLY  19  -7.382   1.339   6.015

  No H/Q in entry =           3
  In of MODEL   35
    1    H    THR  20           H        THR  20  -5.773   2.344   3.648
    2    HG1  THR  20          HG21      THR  20  -6.565   4.768   2.764
    3   HG21  THR  20          HG22      THR  20  -6.614   2.693  -0.684
    4   HG22  THR  20          HG23      THR  20  -7.496   4.198  -0.426
    5   HG23  THR  20           HXT      THR  20  -5.759   4.235  -0.728
    6    HA   THR  20           HB1      THR  20  -7.979   2.339   1.694
    7    HB   THR  20          HG12      THR  20  -5.230   3.560   1.375

  No H/Q in entry =           7
  In of MODEL   35
    1    H    THR  21           H        THR  21  -8.061   0.669   0.340
    2    HG1  THR  21          HG21      THR  21  -8.113  -2.951  -2.250
    3   HG21  THR  21          HG22      THR  21  -8.222   0.512  -1.646
    4   HG22  THR  21          HG23      THR  21  -8.509  -0.727  -2.867
    5   HG23  THR  21           HXT      THR  21  -9.658  -0.507  -1.546
    6    HA   THR  21           HB1      THR  21  -6.369  -1.545   0.561
    7    HB   THR  21          HG12      THR  21  -8.538  -1.930  -0.289

  No H/Q in entry =           7
  In of MODEL   35
    1    H    CYS  22           H        CYS  22  -5.189  -2.527  -1.362
    2    HA   CYS  22           HB1      CYS  22  -3.853  -0.559  -3.047
    3    HB2  CYS  22           HG2      CYS  22  -1.617  -1.643  -2.414
    4    HB3  CYS  22           HG3      CYS  22  -2.326  -0.524  -1.255

  No H/Q in entry =           4
  In of MODEL   35
    1    H    TRP  23           H        TRP  23  -4.051  -3.978  -2.104
    2    HE1  TRP  23           HE3      TRP  23  -0.748  -8.069  -6.465
    3    HE3  TRP  23           HZ2      TRP  23  -3.774  -9.212  -2.208
    4    HZ2  TRP  23           HZ3      TRP  23  -0.837 -10.833  -5.897
    5    HZ3  TRP  23           HH2      TRP  23  -3.279 -11.606  -2.485
    6    HH2  TRP  23           HXT      TRP  23  -1.841 -12.399  -4.292
    7    HA   TRP  23           HB1      TRP  23  -3.261  -4.820  -4.770
    8    HB2  TRP  23           HG2      TRP  23  -2.747  -5.928  -2.392
    9    HB3  TRP  23           HG3      TRP  23  -4.242  -6.783  -2.760
   10    HD1  TRP  23           HD2      TRP  23  -1.722  -5.888  -5.507

  No H/Q in entry =          10
  In of MODEL   35
    1    H    LYS  24           H        LYS  24  -4.562  -6.282  -6.042
    2    HB2  LYS  24           HG2      LYS  24  -6.652  -4.255  -6.815
    3    HB3  LYS  24           HG3      LYS  24  -6.818  -5.385  -8.151
    4    HG2  LYS  24           HG3      LYS  24  -8.943  -4.679  -6.139
    5    HG3  LYS  24           HD2      LYS  24  -8.871  -4.154  -7.822
    6    HD2  LYS  24           HD3      LYS  24  -9.091  -6.461  -8.568
    7    HE2  LYS  24           HE3      LYS  24 -11.099  -4.965  -7.683
    8    HE3  LYS  24           HZ1      LYS  24 -11.339  -6.607  -8.278
    9    HZ1  LYS  24           HZ2      LYS  24 -11.173  -7.377  -5.955
   10    HZ2  LYS  24           HZ3      LYS  24 -11.094  -5.768  -5.441
   11    HD3  LYS  24           HXT      LYS  24  -9.105  -7.016  -6.893
   12    HZ3  LYS  24           HXT      LYS  24 -12.486  -6.343  -6.211
   13    HA   LYS  24           HB1      LYS  24  -7.395  -6.443  -5.441

  No H/Q in entry =          13
  In of MODEL   35
    1    H    THR  25           H        THR  25  -6.761  -8.687  -5.357
    2    HG1  THR  25          HG21      THR  25  -5.257 -10.952  -4.195
    3   HG21  THR  25          HG22      THR  25  -4.340 -11.643  -7.217
    4   HG22  THR  25          HG23      THR  25  -4.733 -12.791  -5.937
    5   HG23  THR  25           HXT      THR  25  -5.750 -12.690  -7.374
    6    HA   THR  25           HB1      THR  25  -5.907  -9.951  -7.821
    7    HB   THR  25          HG12      THR  25  -6.817 -11.583  -5.512

  No H/Q in entry =           7
  In of MODEL   35
    1    H    SER  26           H        SER  26  -8.006  -8.955  -8.749
    2    HG   SER  26           HXT      SER  26 -10.429 -11.235 -11.166
    3    HA   SER  26           HB1      SER  26  -9.896  -9.492  -9.913
    4    HB2  SER  26           HG2      SER  26  -8.954 -11.950  -9.488
    5    HB3  SER  26           HG3      SER  26 -10.374 -12.039  -8.445

  No H/Q in entry =           5
  In of MODEL   35
    1    H    VAL  27           H        VAL  27 -10.167 -10.720  -6.594
    2    HB   VAL  27          HG12      VAL  27 -12.367 -11.735  -5.122
    3   HG11  VAL  27          HG12      VAL  27 -14.269  -9.454  -4.925
    4   HG12  VAL  27          HG13      VAL  27 -14.913 -11.096  -4.952
    5   HG13  VAL  27          HG21      VAL  27 -13.769 -10.618  -3.697
    6   HG21  VAL  27          HG22      VAL  27 -13.681 -10.617  -7.583
    7   HG22  VAL  27          HG23      VAL  27 -12.620 -12.018  -7.444
    8   HG23  VAL  27           HXT      VAL  27 -14.257 -12.084  -6.792
    9    HA   VAL  27           HB1      VAL  27 -12.450  -8.917  -6.194

  No H/Q in entry =           9
  In of MODEL   35
    1    H    SER  28           H        SER  28 -10.028 -10.978  -4.648
    2    HG   SER  28           HXT      SER  28  -7.851 -11.145  -0.713
    3    HA   SER  28           HB1      SER  28 -10.321  -9.759  -2.078
    4    HB2  SER  28           HG2      SER  28  -9.331 -12.119  -2.797
    5    HB3  SER  28           HG3      SER  28  -7.820 -11.211  -2.814

  No H/Q in entry =           5
  In of MODEL   35
    1    H    SER  29           H        SER  29  -8.797  -8.431  -0.994
    2    HG   SER  29           HXT      SER  29 -10.110  -6.251  -1.974
    3    HA   SER  29           HB1      SER  29  -6.723  -7.149  -2.579
    4    HB2  SER  29           HG2      SER  29  -7.666  -4.871  -1.712
    5    HB3  SER  29           HG3      SER  29  -8.373  -5.606  -3.151

  No H/Q in entry =           5
  In of MODEL   35
    1    H    HIS  30           H        HIS  30  -5.731  -5.297  -1.088
    2    HD1  HIS  30           HD2      HIS  30  -1.598  -7.449   1.954
    3    HD2  HIS  30           HE1      HIS  30  -4.834  -8.515  -0.426
    4    HE1  HIS  30           HE2      HIS  30  -1.490  -9.953   1.755
    5    HE2  HIS  30           HXT      HIS  30  -3.508 -10.583   0.384
    6    HA   HIS  30           HB1      HIS  30  -5.520  -6.372   1.645
    7    HB2  HIS  30           HG2      HIS  30  -3.347  -5.646  -0.291
    8    HB3  HIS  30           HG3      HIS  30  -3.062  -5.507   1.440

  No H/Q in entry =           8
  In of MODEL   35
    1    H    TYR  31           H        TYR  31  -5.987  -4.922   3.153
    2    HD1  TYR  31           HD2      TYR  31  -8.326  -3.677   2.122
    3    HD2  TYR  31           HE1      TYR  31  -8.797  -1.290   5.612
    4    HE1  TYR  31           HE2      TYR  31 -10.605  -3.094   1.408
    5    HE2  TYR  31           HH       TYR  31 -11.078  -0.701   4.908
    6    HH   TYR  31           HXT      TYR  31 -12.247  -1.271   1.794
    7    HA   TYR  31           HB1      TYR  31  -6.342  -2.150   2.454
    8    HB2  TYR  31           HG2      TYR  31  -7.021  -3.894   4.740
    9    HB3  TYR  31           HG3      TYR  31  -6.711  -2.208   5.143

  No H/Q in entry =           9
  In of MODEL   35
    1    H    CYS  32           H        CYS  32  -4.775  -0.696   2.493
    2    HA   CYS  32           HB1      CYS  32  -2.318  -1.234   3.949
    3    HB2  CYS  32           HG2      CYS  32  -2.775  -0.097   1.522
    4    HB3  CYS  32           HG3      CYS  32  -2.609   1.338   2.528

  No H/Q in entry =           4
  In of MODEL   35
    1    H    THR  33           H        THR  33  -1.516  -0.021   5.628
    2    HG1  THR  33          HG21      THR  33  -0.175   1.490   8.304
    3   HG21  THR  33          HG22      THR  33  -3.348  -0.823   7.595
    4   HG22  THR  33          HG23      THR  33  -1.739  -1.414   8.014
    5   HG23  THR  33           HXT      THR  33  -2.836  -0.868   9.283
    6    HA   THR  33           HB1      THR  33  -3.476   1.679   6.987
    7    HB   THR  33          HG12      THR  33  -2.284   1.265   9.003

  No H/Q in entry =           7
  In of MODEL   35
    1    H    GLY  34           H        GLY  34  -1.537   2.408   4.702
    2    HA2  GLY  34           HA3      GLY  34  -1.147   5.071   5.308
    3    HA3  GLY  34           HXT      GLY  34  -0.218   4.191   4.104

  No H/Q in entry =           3
  In of MODEL   35
    1    H    ARG  35           H        ARG  35   0.841   2.354   6.206
    2    HB2  ARG  35           HG2      ARG  35   1.401   2.494   9.007
    3    HB3  ARG  35           HG3      ARG  35   2.148   1.226   8.046
    4    HG2  ARG  35           HD2      ARG  35   4.374   2.337   8.834
    5    HD2  ARG  35           HD3      ARG  35   2.552   0.500  10.311
    6    HG3  ARG  35           HD3      ARG  35   3.355   2.994  10.117
    7    HE   ARG  35          HH12      ARG  35   4.298   1.913  11.810
    8   HH11  ARG  35          HH21      ARG  35   4.220  -1.413  10.754
    9   HH12  ARG  35          HH22      ARG  35   5.060  -2.006  12.147
   10    HD3  ARG  35           HXT      ARG  35   4.100   0.166   9.536
   11   HH21  ARG  35           HXT      ARG  35   5.404   1.135  13.643
   12   HH22  ARG  35           H1       ARG  35   5.732  -0.560  13.788
   13    HA   ARG  35           HB1      ARG  35   2.583   4.196   7.683

  No H/Q in entry =          13
  In of MODEL   35
    1    H    SER  36           H        SER  36   2.605   1.614   5.316
    2    HG   SER  36           HXT      SER  36   7.083   1.244   5.508
    3    HA   SER  36           HB1      SER  36   5.287   2.367   4.519
    4    HB2  SER  36           HG2      SER  36   4.665  -0.188   5.902
    5    HB3  SER  36           HG3      SER  36   5.734  -0.284   4.502

  No H/Q in entry =           5
  In of MODEL   35
    1    H    CYS  37           H        CYS  37   5.969   1.109   2.537
    2    HA   CYS  37           HB1      CYS  37   3.861   1.210   0.623
    3    HB2  CYS  37           HG2      CYS  37   6.683   0.159   0.330
    4    HB3  CYS  37           HG3      CYS  37   5.580   0.519  -0.994

  No H/Q in entry =           4
  In of MODEL   35
    1    H    GLU  38           H        GLU  38   5.427  -1.333   2.426
    2    HB2  GLU  38           HG2      GLU  38   5.572  -3.557   3.595
    3    HB3  GLU  38           HG3      GLU  38   5.268  -4.941   2.554
    4    HA   GLU  38           HB1      GLU  38   4.350  -3.469   0.831
    5    HG2  GLU  38           HD2      GLU  38   7.092  -4.569   1.298
    6    HG3  GLU  38           HD3      GLU  38   6.916  -2.816   1.370

  No H/Q in entry =           6
  In of MODEL   35
    1    H    CYS  39           H        CYS  39   2.216  -3.773   0.808
    2    HA   CYS  39           HB1      CYS  39   0.418  -2.980   2.803
    3    HB2  CYS  39           HG2      CYS  39   0.053  -5.157   0.734
    4    HB3  CYS  39           HG3      CYS  39  -1.234  -4.346   1.618

  No H/Q in entry =           4
  In of MODEL   35
    1    HB2  PRO  40           HG2      PRO  40  -1.782  -6.141   6.869
    2    HB3  PRO  40           HG3      PRO  40  -0.633  -4.834   7.179
    3    HG2  PRO  40           HD2      PRO  40  -2.864  -4.962   5.186
    4    HD2  PRO  40           HD3      PRO  40  -1.702  -3.723   3.629
    5    HG3  PRO  40           HD3      PRO  40  -2.387  -3.623   6.248
    6    HD3  PRO  40           HXT      PRO  40  -0.669  -2.968   4.858
    7    HA   PRO  40           HB1      PRO  40   0.740  -6.134   5.871

  No H/Q in entry =           7
  In of MODEL   35
    1    H    SER  41           H        SER  41  -0.519  -8.137   6.681
    2    HG   SER  41           HXT      SER  41   1.028 -11.215   4.673
    3    HA   SER  41           HB1      SER  41  -1.336  -9.668   4.312
    4    HB2  SER  41           HG2      SER  41  -0.322 -10.619   7.002
    5    HB3  SER  41           HG3      SER  41  -0.783 -11.672   5.665

  No H/Q in entry =           5
  In of MODEL   35
    1    H    TYR  42           H        TYR  42  -3.140  -7.883   5.708
    2    HD1  TYR  42           HD2      TYR  42  -2.745  -8.869   8.355
    3    HD2  TYR  42           HE1      TYR  42  -6.557  -7.733   9.865
    4    HE1  TYR  42           HE2      TYR  42  -2.080  -9.635  10.595
    5    HE2  TYR  42           HH       TYR  42  -5.902  -8.494  12.109
    6    HH   TYR  42           HXT      TYR  42  -3.399  -8.778  13.300
    7    HA   TYR  42           HB1      TYR  42  -5.028  -9.805   6.893
    8    HB2  TYR  42           HG2      TYR  42  -4.530  -6.892   7.343
    9    HB3  TYR  42           HG3      TYR  42  -6.153  -7.522   7.604

  No H/Q in entry =           9
  In of MODEL   35
    1    HB2  PRO  43           HG2      PRO  43  -8.083 -11.289   2.514
    2    HB3  PRO  43           HG3      PRO  43  -6.395 -11.002   2.076
    3    HG2  PRO  43           HD2      PRO  43  -7.524 -12.226   4.564
    4    HD2  PRO  43           HD3      PRO  43  -5.865 -11.340   5.896
    5    HG3  PRO  43           HD3      PRO  43  -6.131 -12.743   3.595
    6    HD3  PRO  43           HXT      PRO  43  -4.733 -11.172   4.539
    7    HA   PRO  43           HB1      PRO  43  -6.882  -8.870   2.786

  No H/Q in entry =           7
  In of MODEL   35
    1    H    GLY  44           H        GLY  44  -8.336  -7.356   3.653
    2    HA2  GLY  44           HA3      GLY  44 -10.459  -7.971   5.397
    3    HA3  GLY  44           HXT      GLY  44 -11.030  -8.122   3.742

  No H/Q in entry =           3
  In of MODEL   36
    1    H1   ALA   1           H1       ALA   1  16.007  15.483   4.062
    2    H2   ALA   1           H2       ALA   1  15.254  14.743   5.412
    3    H3   ALA   1           H3       ALA   1  16.896  15.232   5.509
    4    HA   ALA   1           HB1      ALA   1  17.637  13.561   4.222
    5    HB1  ALA   1           HB2      ALA   1  15.449  12.771   6.050
    6    HB2  ALA   1           HB3      ALA   1  16.069  11.532   4.960
    7    HB3  ALA   1           HXT      ALA   1  17.161  12.350   6.078

  No H/Q in entry =           7
  In of MODEL   36
    1    H    MET   2           H        MET   2  14.095  13.666   3.877
    2    HB2  MET   2           HG2      MET   2  14.304  14.945   1.082
    3    HB3  MET   2           HG3      MET   2  15.140  13.585   0.345
    4    HE1  MET   2           HE2      MET   2  12.834  16.261   0.714
    5    HE2  MET   2           HE3      MET   2  14.010  17.280  -0.116
    6    HE3  MET   2           HXT      MET   2  12.303  17.367  -0.553
    7    HA   MET   2           HB1      MET   2  12.723  13.237   2.115
    8    HG2  MET   2           HD2      MET   2  13.374  13.083  -1.053
    9    HG3  MET   2           HD3      MET   2  12.197  13.905  -0.031

  No H/Q in entry =           9
  In of MODEL   36
    1    H    ASP   3           H        ASP   3  12.016  11.207   2.047
    2    HA   ASP   3           HB1      ASP   3  13.658   9.211   0.663
    3    HB2  ASP   3           HG2      ASP   3  13.665   9.096   3.297
    4    HB3  ASP   3           HG3      ASP   3  12.087   8.350   3.060

  No H/Q in entry =           4
  In of MODEL   36
    1    H    CYS   4           H        CYS   4  12.524   7.729  -0.546
    2    HA   CYS   4           HB1      CYS   4   9.591   7.955  -0.525
    3    HB2  CYS   4           HG2      CYS   4  11.474   8.447  -2.749
    4    HB3  CYS   4           HG3      CYS   4  10.072   7.459  -3.149

  No H/Q in entry =           4
  In of MODEL   36
    1    H    THR   5           H        THR   5   8.454   6.086  -0.948
    2    HG1  THR   5          HG21      THR   5   7.600   5.355   0.713
    3   HG21  THR   5          HG22      THR   5   9.594   3.937   1.493
    4   HG22  THR   5          HG23      THR   5   8.078   3.271   2.099
    5   HG23  THR   5           HXT      THR   5   9.203   2.240   1.215
    6    HA   THR   5           HB1      THR   5  10.054   3.624  -0.908
    7    HB   THR   5          HG12      THR   5   7.584   2.735  -0.362

  No H/Q in entry =           7
  In of MODEL   36
    1    H    THR   6           H        THR   6   9.194   1.754  -2.107
    2    HG1  THR   6          HG21      THR   6  10.496   3.079  -4.894
    3   HG21  THR   6          HG22      THR   6   8.323   1.033  -6.585
    4   HG22  THR   6          HG23      THR   6   9.360   2.456  -6.694
    5   HG23  THR   6           HXT      THR   6  10.052   0.844  -6.875
    6    HA   THR   6           HB1      THR   6   7.800   2.565  -4.573
    7    HB   THR   6          HG12      THR   6   9.801   0.346  -4.620

  No H/Q in entry =           7
  In of MODEL   36
    1    H    GLY   7           H        GLY   7   6.229   1.220  -5.334
    2    HA2  GLY   7           HA3      GLY   7   5.395  -0.914  -3.521
    3    HA3  GLY   7           HXT      GLY   7   5.724  -1.369  -5.187

  No H/Q in entry =           3
  In of MODEL   36
    1    HB2  PRO   8           HG2      PRO   8  -0.058  -2.041  -4.770
    2    HB3  PRO   8           HG3      PRO   8   0.945  -2.587  -6.119
    3    HG2  PRO   8           HD2      PRO   8   1.462  -2.776  -3.176
    4    HD2  PRO   8           HD3      PRO   8   3.734  -2.486  -3.436
    5    HG3  PRO   8           HD3      PRO   8   1.722  -3.994  -4.439
    6    HD3  PRO   8           HXT      PRO   8   3.710  -3.046  -5.121
    7    HA   PRO   8           HB1      PRO   8   1.548  -0.370  -6.183

  No H/Q in entry =           7
  In of MODEL   36
    1    H    CYS   9           H        CYS   9   2.131  -0.503  -2.718
    2    HA   CYS   9           HB1      CYS   9  -0.206   0.949  -1.970
    3    HB2  CYS   9           HG2      CYS   9   0.946  -0.520  -0.386
    4    HB3  CYS   9           HG3      CYS   9   2.381   0.496  -0.467

  No H/Q in entry =           4
  In of MODEL   36
    1    H    CYS  10           H        CYS  10   3.033   1.821  -2.932
    2    HA   CYS  10           HB1      CYS  10   2.521   4.633  -2.280
    3    HB2  CYS  10           HG2      CYS  10   5.107   3.479  -3.315
    4    HB3  CYS  10           HG3      CYS  10   4.860   5.007  -2.478

  No H/Q in entry =           4
  In of MODEL   36
    1    H    ARG  11           H        ARG  11   2.875   6.280  -3.852
    2    HB2  ARG  11           HG2      ARG  11   0.886   7.282  -5.380
    3    HB3  ARG  11           HG3      ARG  11   2.369   8.226  -5.394
    4    HG2  ARG  11           HD2      ARG  11   1.498   9.081  -7.275
    5    HD2  ARG  11           HD3      ARG  11   0.023   7.511  -8.795
    6    HG3  ARG  11           HD3      ARG  11   2.167   7.623  -8.011
    7    HE   ARG  11          HH12      ARG  11  -0.659   9.388  -6.925
    8   HH11  ARG  11          HH21      ARG  11  -2.080   6.421  -8.090
    9   HH12  ARG  11          HH22      ARG  11  -3.706   6.936  -7.791
   10    HD3  ARG  11           HXT      ARG  11  -0.155   6.606  -7.292
   11   HH21  ARG  11           HXT      ARG  11  -2.796  10.067  -6.531
   12   HH22  ARG  11           H1       ARG  11  -4.113   9.006  -6.907
   13    HA   ARG  11           HB1      ARG  11   2.092   5.437  -6.527

  No H/Q in entry =          13
  In of MODEL   36
    1    H    GLN  12           H        GLN  12   4.581   4.582  -6.166
    2    HB2  GLN  12           HG2      GLN  12   5.081   5.868  -9.000
    3    HB3  GLN  12           HG3      GLN  12   6.219   7.145  -8.595
    4   HE21  GLN  12          HE22      GLN  12   9.346   4.368  -9.615
    5   HE22  GLN  12           HXT      GLN  12  10.393   5.732  -9.456
    6    HA   GLN  12           HB1      GLN  12   6.600   4.544  -7.225
    7    HG2  GLN  12           HD2      GLN  12   7.197   4.423  -9.345
    8    HG3  GLN  12           HD3      GLN  12   6.722   5.583 -10.584

  No H/Q in entry =           8
  In of MODEL   36
    1    H    CYS  13           H        CYS  13   5.733   6.541  -4.892
    2    HA   CYS  13           HB1      CYS  13   8.389   7.258  -4.205
    3    HB2  CYS  13           HG2      CYS  13   7.384   9.025  -5.982
    4    HB3  CYS  13           HG3      CYS  13   6.792   9.738  -4.485

  No H/Q in entry =           4
  In of MODEL   36
    1    H    LYS  14           H        LYS  14   5.140   8.653  -3.696
    2    HB2  LYS  14           HG2      LYS  14   4.427  10.457  -2.347
    3    HB3  LYS  14           HG3      LYS  14   2.999   9.525  -1.921
    4    HG2  LYS  14           HG3      LYS  14   3.174  10.025   0.322
    5    HG3  LYS  14           HD2      LYS  14   4.900  10.375   0.216
    6    HD2  LYS  14           HD3      LYS  14   4.560  12.502  -0.564
    7    HE2  LYS  14           HE3      LYS  14   2.002  11.928   0.925
    8    HE3  LYS  14           HZ1      LYS  14   3.538  12.422   1.634
    9    HZ1  LYS  14           HZ2      LYS  14   1.901  14.043  -0.240
   10    HZ2  LYS  14           HZ3      LYS  14   2.019  14.286   1.430
   11    HD3  LYS  14           HXT      LYS  14   3.018  12.094  -1.319
   12    HZ3  LYS  14           HXT      LYS  14   3.374  14.518   0.445
   13    HA   LYS  14           HB1      LYS  14   5.580   8.569  -0.817

  No H/Q in entry =          13
  In of MODEL   36
    1    H    LEU  15           H        LEU  15   4.285   7.449   0.631
    2   HD11  LEU  15          HD12      LEU  15   1.586   5.227   3.447
    3   HD12  LEU  15          HD13      LEU  15   2.022   6.613   4.447
    4   HD13  LEU  15          HD21      LEU  15   1.351   6.865   2.835
    5   HD21  LEU  15          HD22      LEU  15   4.619   4.784   3.860
    6   HD22  LEU  15          HD23      LEU  15   5.319   6.399   3.752
    7   HD23  LEU  15           HXT      LEU  15   4.013   6.079   4.892
    8    HG   LEU  15           HXT      LEU  15   3.616   7.208   2.500
    9    HA   LEU  15           HB1      LEU  15   3.091   5.038  -0.423
   10    HB2  LEU  15           HG2      LEU  15   2.863   4.372   1.910
   11    HB3  LEU  15           HG3      LEU  15   4.491   4.922   1.565

  No H/Q in entry =          11
  In of MODEL   36
    1    H    LYS  16           H        LYS  16   0.950   4.308   0.173
    2    HB2  LYS  16           HG2      LYS  16  -1.006   3.428  -0.180
    3    HB3  LYS  16           HG3      LYS  16  -2.521   4.218   0.235
    4    HG2  LYS  16           HG3      LYS  16  -2.727   5.207  -1.846
    5    HG3  LYS  16           HD2      LYS  16  -1.004   5.058  -2.198
    6    HD2  LYS  16           HD3      LYS  16  -1.434   2.517  -2.120
    7    HE2  LYS  16           HE3      LYS  16  -1.939   2.437  -4.433
    8    HE3  LYS  16           HZ1      LYS  16  -2.771   3.991  -4.374
    9    HZ1  LYS  16           HZ2      LYS  16   0.017   3.995  -3.549
   10    HZ2  LYS  16           HZ3      LYS  16  -0.268   3.714  -5.193
   11    HD3  LYS  16           HXT      LYS  16  -3.137   2.950  -2.278
   12    HZ3  LYS  16           HXT      LYS  16  -0.843   5.127  -4.464
   13    HA   LYS  16           HB1      LYS  16  -1.002   6.397  -0.146

  No H/Q in entry =          13
  In of MODEL   36
    1    HB2  PRO  17           HG2      PRO  17  -5.021   6.962   3.831
    2    HB3  PRO  17           HG3      PRO  17  -4.043   8.331   3.292
    3    HG2  PRO  17           HD2      PRO  17  -5.230   6.102   1.688
    4    HD2  PRO  17           HD3      PRO  17  -3.455   6.050   0.211
    5    HG3  PRO  17           HD3      PRO  17  -5.149   7.833   1.312
    6    HD3  PRO  17           HXT      PRO  17  -2.952   7.706   0.607
    7    HA   PRO  17           HB1      PRO  17  -2.293   7.042   4.009

  No H/Q in entry =           7
  In of MODEL   36
    1    H    ALA  18           H        ALA  18  -2.767   5.943   5.862
    2    HA   ALA  18           HB1      ALA  18  -2.806   3.136   5.812
    3    HB1  ALA  18           HB2      ALA  18  -2.221   4.953   7.698
    4    HB2  ALA  18           HB3      ALA  18  -3.825   4.463   8.245
    5    HB3  ALA  18           HXT      ALA  18  -2.552   3.258   8.055

  No H/Q in entry =           5
  In of MODEL   36
    1    H    GLY  19           H        GLY  19  -4.436   1.912   5.129
    2    HA2  GLY  19           HA3      GLY  19  -7.167   2.644   5.987
    3    HA3  GLY  19           HXT      GLY  19  -6.609   0.992   5.771

  No H/Q in entry =           3
  In of MODEL   36
    1    H    THR  20           H        THR  20  -5.162   1.812   3.272
    2    HG1  THR  20          HG21      THR  20  -6.157   4.468   2.443
    3   HG21  THR  20          HG22      THR  20  -6.226   2.339  -0.986
    4   HG22  THR  20          HG23      THR  20  -7.372   3.633  -0.633
    5   HG23  THR  20           HXT      THR  20  -5.692   4.020  -1.008
    6    HA   THR  20           HB1      THR  20  -7.525   1.835   1.519
    7    HB   THR  20          HG12      THR  20  -4.924   3.300   1.034

  No H/Q in entry =           7
  In of MODEL   36
    1    H    THR  21           H        THR  21  -7.420   0.561  -0.315
    2    HG1  THR  21          HG21      THR  21  -7.930   0.031  -2.949
    3   HG21  THR  21          HG22      THR  21  -7.226  -3.232  -0.813
    4   HG22  THR  21          HG23      THR  21  -8.765  -2.389  -0.994
    5   HG23  THR  21           HXT      THR  21  -8.062  -3.244  -2.366
    6    HA   THR  21           HB1      THR  21  -5.874  -1.768  -0.182
    7    HB   THR  21          HG12      THR  21  -6.618  -1.593  -2.839

  No H/Q in entry =           7
  In of MODEL   36
    1    H    CYS  22           H        CYS  22  -4.531  -2.521  -2.155
    2    HA   CYS  22           HB1      CYS  22  -2.928  -0.487  -3.417
    3    HB2  CYS  22           HG2      CYS  22  -0.777  -1.440  -2.475
    4    HB3  CYS  22           HG3      CYS  22  -1.742  -0.482  -1.357

  No H/Q in entry =           4
  In of MODEL   36
    1    H    TRP  23           H        TRP  23  -3.211  -3.931  -2.609
    2    HE1  TRP  23           HE3      TRP  23  -0.570  -8.872  -6.713
    3    HE3  TRP  23           HZ2      TRP  23  -3.841  -8.915  -2.485
    4    HZ2  TRP  23           HZ3      TRP  23  -1.398 -11.474  -5.998
    5    HZ3  TRP  23           HH2      TRP  23  -3.998 -11.367  -2.617
    6    HH2  TRP  23           HXT      TRP  23  -2.801 -12.619  -4.339
    7    HA   TRP  23           HB1      TRP  23  -1.810  -4.798  -4.944
    8    HB2  TRP  23           HG2      TRP  23  -2.019  -6.088  -2.772
    9    HB3  TRP  23           HG3      TRP  23  -3.674  -6.456  -3.247
   10    HD1  TRP  23           HD2      TRP  23  -0.941  -6.457  -5.903

  No H/Q in entry =          10
  In of MODEL   36
    1    H    LYS  24           H        LYS  24  -5.171  -5.433  -3.993
    2    HB2  LYS  24           HG2      LYS  24  -6.177  -3.239  -5.813
    3    HB3  LYS  24           HG3      LYS  24  -6.015  -3.964  -7.407
    4    HG2  LYS  24           HG3      LYS  24  -8.595  -4.345  -6.008
    5    HG3  LYS  24           HD2      LYS  24  -8.225  -2.726  -6.607
    6    HD2  LYS  24           HD3      LYS  24  -7.711  -4.952  -8.477
    7    HE2  LYS  24           HE3      LYS  24  -8.689  -3.390 -10.072
    8    HE3  LYS  24           HZ1      LYS  24  -9.133  -2.307  -8.753
    9    HZ1  LYS  24           HZ2      LYS  24  -6.692  -2.229  -8.218
   10    HZ2  LYS  24           HZ3      LYS  24  -6.412  -2.994  -9.701
   11    HD3  LYS  24           HXT      LYS  24  -9.405  -4.636  -8.095
   12    HZ3  LYS  24           HXT      LYS  24  -7.147  -1.471  -9.660
   13    HA   LYS  24           HB1      LYS  24  -7.084  -5.661  -5.203

  No H/Q in entry =          13
  In of MODEL   36
    1    H    THR  25           H        THR  25  -7.338  -7.655  -5.986
    2    HG1  THR  25          HG21      THR  25  -6.695  -9.936  -5.411
    3   HG21  THR  25          HG22      THR  25  -4.265  -8.330  -6.870
    4   HG22  THR  25          HG23      THR  25  -4.632  -9.283  -5.432
    5   HG23  THR  25           HXT      THR  25  -3.712 -10.001  -6.755
    6    HA   THR  25           HB1      THR  25  -6.151  -8.261  -8.603
    7    HB   THR  25          HG12      THR  25  -5.540 -10.469  -7.943

  No H/Q in entry =           7
  In of MODEL   36
    1    H    SER  26           H        SER  26  -8.479  -7.393  -8.917
    2    HG   SER  26           HXT      SER  26 -12.020  -9.913 -10.513
    3    HA   SER  26           HB1      SER  26 -10.481  -7.906  -9.886
    4    HB2  SER  26           HG2      SER  26  -9.210 -10.227 -10.263
    5    HB3  SER  26           HG3      SER  26 -10.423 -10.776  -9.107

  No H/Q in entry =           5
  In of MODEL   36
    1    H    VAL  27           H        VAL  27 -10.009  -9.942  -7.018
    2    HB   VAL  27          HG12      VAL  27 -13.014 -10.839  -4.816
    3   HG11  VAL  27          HG12      VAL  27 -14.013  -9.952  -6.936
    4   HG12  VAL  27          HG13      VAL  27 -12.914 -11.009  -7.821
    5   HG13  VAL  27          HG21      VAL  27 -14.123 -11.701  -6.741
    6   HG21  VAL  27          HG22      VAL  27 -10.730 -11.816  -6.496
    7   HG22  VAL  27          HG23      VAL  27 -11.074 -12.135  -4.796
    8   HG23  VAL  27           HXT      VAL  27 -12.061 -12.884  -6.051
    9    HA   VAL  27           HB1      VAL  27 -12.369  -8.669  -5.820

  No H/Q in entry =           9
  In of MODEL   36
    1    H    SER  28           H        SER  28  -9.484 -10.633  -5.249
    2    HG   SER  28           HXT      SER  28  -7.092 -10.945  -1.571
    3    HA   SER  28           HB1      SER  28  -9.441  -9.976  -2.435
    4    HB2  SER  28           HG2      SER  28  -8.605 -12.162  -3.642
    5    HB3  SER  28           HG3      SER  28  -7.118 -11.236  -3.843

  No H/Q in entry =           5
  In of MODEL   36
    1    H    SER  29           H        SER  29  -8.250  -8.443  -1.455
    2    HG   SER  29           HXT      SER  29  -9.468  -5.476  -1.979
    3    HA   SER  29           HB1      SER  29  -6.047  -7.155  -2.828
    4    HB2  SER  29           HG2      SER  29  -6.937  -4.943  -2.819
    5    HB3  SER  29           HG3      SER  29  -8.173  -5.963  -3.555

  No H/Q in entry =           5
  In of MODEL   36
    1    H    HIS  30           H        HIS  30  -4.743  -5.864  -1.440
    2    HD1  HIS  30           HD2      HIS  30  -1.263  -8.168   1.741
    3    HD2  HIS  30           HE1      HIS  30  -4.692  -8.620  -0.562
    4    HE1  HIS  30           HE2      HIS  30  -1.474 -10.639   1.328
    5    HE2  HIS  30           HXT      HIS  30  -3.509 -10.881  -0.138
    6    HA   HIS  30           HB1      HIS  30  -5.176  -6.457   1.410
    7    HB2  HIS  30           HG2      HIS  30  -2.636  -5.960  -0.149
    8    HB3  HIS  30           HG3      HIS  30  -2.692  -6.052   1.608

  No H/Q in entry =           8
  In of MODEL   36
    1    H    TYR  31           H        TYR  31  -5.330  -4.846   2.859
    2    HD1  TYR  31           HD2      TYR  31  -7.374  -4.217   1.702
    3    HD2  TYR  31           HE1      TYR  31  -8.365  -0.731   3.931
    4    HE1  TYR  31           HE2      TYR  31  -9.521  -4.074   0.512
    5    HE2  TYR  31           HH       TYR  31 -10.515  -0.579   2.748
    6    HH   TYR  31           HXT      TYR  31 -11.309  -1.531   0.242
    7    HA   TYR  31           HB1      TYR  31  -5.332  -2.114   1.832
    8    HB2  TYR  31           HG2      TYR  31  -6.445  -3.423   4.298
    9    HB3  TYR  31           HG3      TYR  31  -6.274  -1.673   4.211

  No H/Q in entry =           9
  In of MODEL   36
    1    H    CYS  32           H        CYS  32  -3.753  -0.709   2.229
    2    HA   CYS  32           HB1      CYS  32  -1.429  -1.493   3.680
    3    HB2  CYS  32           HG2      CYS  32  -2.035   0.418   1.738
    4    HB3  CYS  32           HG3      CYS  32  -1.591   1.360   3.157

  No H/Q in entry =           4
  In of MODEL   36
    1    H    THR  33           H        THR  33  -0.682  -0.836   5.657
    2    HG1  THR  33          HG21      THR  33  -1.091  -1.038  10.206
    3   HG21  THR  33          HG22      THR  33   0.789  -0.609   7.331
    4   HG22  THR  33          HG23      THR  33   0.832  -1.455   8.878
    5   HG23  THR  33           HXT      THR  33   0.238  -2.282   7.437
    6    HA   THR  33           HB1      THR  33  -2.682   0.347   7.430
    7    HB   THR  33          HG12      THR  33  -1.771  -1.712   8.240

  No H/Q in entry =           7
  In of MODEL   36
    1    H    GLY  34           H        GLY  34  -0.915   1.844   5.465
    2    HA2  GLY  34           HA3      GLY  34  -0.568   4.194   6.870
    3    HA3  GLY  34           HXT      GLY  34   0.297   3.794   5.394

  No H/Q in entry =           3
  In of MODEL   36
    1    H    ARG  35           H        ARG  35   1.548   1.434   6.749
    2    HB2  ARG  35           HG2      ARG  35   2.040   0.560   9.029
    3    HB3  ARG  35           HG3      ARG  35   3.562  -0.078   8.422
    4    HG2  ARG  35           HD2      ARG  35   3.197   1.798  10.748
    5    HD2  ARG  35           HD3      ARG  35   5.728   0.561   9.677
    6    HG3  ARG  35           HD3      ARG  35   3.648   0.094  10.819
    7    HE   ARG  35          HH12      ARG  35   6.380   1.042  11.812
    8   HH11  ARG  35          HH21      ARG  35   4.324   3.619  10.667
    9   HH12  ARG  35          HH22      ARG  35   4.606   4.626  12.048
   10    HD3  ARG  35           HXT      ARG  35   5.267   2.250   9.469
   11   HH21  ARG  35           HXT      ARG  35   6.751   2.364  13.629
   12   HH22  ARG  35           H1       ARG  35   5.984   3.913  13.729
   13    HA   ARG  35           HB1      ARG  35   3.412   2.863   8.523

  No H/Q in entry =          13
  In of MODEL   36
    1    H    SER  36           H        SER  36   3.157   0.835   5.679
    2    HG   SER  36           HXT      SER  36   6.443  -0.502   7.133
    3    HA   SER  36           HB1      SER  36   5.727   1.729   4.754
    4    HB2  SER  36           HG2      SER  36   5.305  -1.168   5.505
    5    HB3  SER  36           HG3      SER  36   6.587  -0.629   4.421

  No H/Q in entry =           5
  In of MODEL   36
    1    H    CYS  37           H        CYS  37   6.256   0.575   2.597
    2    HA   CYS  37           HB1      CYS  37   3.994   0.912   0.895
    3    HB2  CYS  37           HG2      CYS  37   6.655   1.157   0.512
    4    HB3  CYS  37           HG3      CYS  37   6.402  -0.443  -0.176

  No H/Q in entry =           4
  In of MODEL   36
    1    H    GLU  38           H        GLU  38   5.588  -1.824   2.348
    2    HB2  GLU  38           HG2      GLU  38   6.265  -3.803   2.846
    3    HB3  GLU  38           HG3      GLU  38   4.801  -4.408   3.609
    4    HA   GLU  38           HB1      GLU  38   4.660  -3.875   0.693
    5    HG2  GLU  38           HD2      GLU  38   5.552  -6.415   3.003
    6    HG3  GLU  38           HD3      GLU  38   4.957  -5.987   1.400

  No H/Q in entry =           6
  In of MODEL   36
    1    H    CYS  39           H        CYS  39   2.830  -5.129   0.673
    2    HA   CYS  39           HB1      CYS  39   0.530  -4.022   2.126
    3    HB2  CYS  39           HG2      CYS  39   0.643  -5.742  -0.359
    4    HB3  CYS  39           HG3      CYS  39  -0.841  -5.202   0.418

  No H/Q in entry =           4
  In of MODEL   36
    1    HB2  PRO  40           HG2      PRO  40   0.038  -7.089   6.693
    2    HB3  PRO  40           HG3      PRO  40   1.730  -6.760   6.303
    3    HG2  PRO  40           HD2      PRO  40  -0.665  -4.992   5.989
    4    HD2  PRO  40           HD3      PRO  40   0.165  -4.004   4.077
    5    HG3  PRO  40           HD3      PRO  40   0.952  -4.589   6.595
    6    HD3  PRO  40           HXT      PRO  40   1.844  -4.424   4.473
    7    HA   PRO  40           HB1      PRO  40   1.230  -7.948   4.404

  No H/Q in entry =           7
  In of MODEL   36
    1    H    SER  41           H        SER  41  -0.407  -9.272   5.703
    2    HG   SER  41           HXT      SER  41  -2.496 -11.590   7.260
    3    HA   SER  41           HB1      SER  41  -2.840  -9.428   4.139
    4    HB2  SER  41           HG2      SER  41  -3.202 -11.557   5.274
    5    HB3  SER  41           HG3      SER  41  -1.542 -11.470   4.684

  No H/Q in entry =           5
  In of MODEL   36
    1    H    TYR  42           H        TYR  42  -3.166  -7.151   5.321
    2    HD1  TYR  42           HD2      TYR  42  -4.269  -5.594  10.412
    3    HD2  TYR  42           HE1      TYR  42  -1.571  -7.589   7.796
    4    HE1  TYR  42           HE2      TYR  42  -3.111  -6.562  12.354
    5    HE2  TYR  42           HH       TYR  42  -0.406  -8.564   9.730
    6    HH   TYR  42           HXT      TYR  42  -0.670  -7.461  12.783
    7    HA   TYR  42           HB1      TYR  42  -4.930  -7.682   7.621
    8    HB2  TYR  42           HG2      TYR  42  -2.974  -5.460   7.145
    9    HB3  TYR  42           HG3      TYR  42  -4.397  -5.172   8.140

  No H/Q in entry =           9
  In of MODEL   36
    1    HB2  PRO  43           HG2      PRO  43  -9.472  -7.586   4.310
    2    HB3  PRO  43           HG3      PRO  43  -8.027  -7.924   3.350
    3    HG2  PRO  43           HD2      PRO  43  -8.737  -8.868   6.101
    4    HD2  PRO  43           HD3      PRO  43  -6.546  -8.821   6.812
    5    HG3  PRO  43           HD3      PRO  43  -8.027  -9.778   4.755
    6    HD3  PRO  43           HXT      PRO  43  -5.907  -8.971   5.163
    7    HA   PRO  43           HB1      PRO  43  -7.398  -5.850   4.119

  No H/Q in entry =           7
  In of MODEL   36
    1    H    GLY  44           H        GLY  44 -10.060  -5.676   4.349
    2    HA2  GLY  44           HA3      GLY  44 -10.978  -5.148   7.002
    3    HA3  GLY  44           HXT      GLY  44 -11.813  -4.736   5.512

  No H/Q in entry =           3
  In of MODEL   37
    1    H1   ALA   1           H1       ALA   1  18.053  13.880  -0.327
    2    H2   ALA   1           H2       ALA   1  19.739  13.951  -0.639
    3    H3   ALA   1           H3       ALA   1  18.875  12.492  -0.906
    4    HA   ALA   1           HB1      ALA   1  19.956  12.137   1.050
    5    HB1  ALA   1           HB2      ALA   1  19.246  14.988   1.666
    6    HB2  ALA   1           HB3      ALA   1  19.777  13.865   2.918
    7    HB3  ALA   1           HXT      ALA   1  20.842  14.245   1.565

  No H/Q in entry =           7
  In of MODEL   37
    1    H    MET   2           H        MET   2  17.310  11.650   0.025
    2    HB2  MET   2           HG2      MET   2  15.091  13.183   1.084
    3    HB3  MET   2           HG3      MET   2  14.209  11.881   0.299
    4    HE1  MET   2           HE2      MET   2  13.076  14.660   1.468
    5    HE2  MET   2           HE3      MET   2  13.015  15.748   2.854
    6    HE3  MET   2           HXT      MET   2  14.553  15.426   2.052
    7    HA   MET   2           HB1      MET   2  15.962  11.123   2.571
    8    HG2  MET   2           HD2      MET   2  12.673  12.315   1.866
    9    HG3  MET   2           HD3      MET   2  13.706  11.309   2.881

  No H/Q in entry =           9
  In of MODEL   37
    1    H    ASP   3           H        ASP   3  14.930   9.182   2.674
    2    HA   ASP   3           HB1      ASP   3  15.376   7.369   0.437
    3    HB2  ASP   3           HG2      ASP   3  16.006   6.771   2.809
    4    HB3  ASP   3           HG3      ASP   3  14.285   6.700   3.175

  No H/Q in entry =           4
  In of MODEL   37
    1    H    CYS   4           H        CYS   4  13.837   6.984  -0.999
    2    HA   CYS   4           HB1      CYS   4  11.037   7.465  -0.234
    3    HB2  CYS   4           HG2      CYS   4  12.446   7.555  -2.898
    4    HB3  CYS   4           HG3      CYS   4  10.691   7.508  -2.769

  No H/Q in entry =           4
  In of MODEL   37
    1    H    THR   5           H        THR   5  10.016   5.658   0.317
    2    HG1  THR   5          HG21      THR   5   8.657   4.189   2.426
    3   HG21  THR   5          HG22      THR   5  10.058   1.460   0.856
    4   HG22  THR   5          HG23      THR   5   8.851   1.745   2.110
    5   HG23  THR   5           HXT      THR   5   8.341   1.345   0.469
    6    HA   THR   5           HB1      THR   5  10.851   3.060  -0.428
    7    HB   THR   5          HG12      THR   5   8.045   3.603   0.451

  No H/Q in entry =           7
  In of MODEL   37
    1    H    THR   6           H        THR   6   9.177   1.484  -1.415
    2    HG1  THR   6          HG21      THR   6  10.779   1.159  -3.102
    3   HG21  THR   6          HG22      THR   6   9.385   3.187  -5.054
    4   HG22  THR   6          HG23      THR   6  10.907   2.298  -4.995
    5   HG23  THR   6           HXT      THR   6   9.710   1.917  -6.234
    6    HA   THR   6           HB1      THR   6   7.822   2.720  -3.709
    7    HB   THR   6          HG12      THR   6   8.690   0.488  -4.897

  No H/Q in entry =           7
  In of MODEL   37
    1    H    GLY   7           H        GLY   7   6.409   1.049  -4.861
    2    HA2  GLY   7           HA3      GLY   7   5.033  -0.530  -2.785
    3    HA3  GLY   7           HXT      GLY   7   5.380  -1.235  -4.356

  No H/Q in entry =           3
  In of MODEL   37
    1    HB2  PRO   8           HG2      PRO   8   0.089  -1.243  -3.827
    2    HB3  PRO   8           HG3      PRO   8  -0.117  -1.443  -5.571
    3    HG2  PRO   8           HD2      PRO   8   1.116  -3.310  -4.130
    4    HD2  PRO   8           HD3      PRO   8   2.823  -2.161  -3.089
    5    HG3  PRO   8           HD3      PRO   8   1.691  -2.885  -5.754
    6    HD3  PRO   8           HXT      PRO   8   3.660  -2.521  -4.613
    7    HA   PRO   8           HB1      PRO   8   1.549   0.065  -6.073

  No H/Q in entry =           7
  In of MODEL   37
    1    H    CYS   9           H        CYS   9   1.161   0.126  -2.521
    2    HA   CYS   9           HB1      CYS   9  -0.608   2.293  -2.447
    3    HB2  CYS   9           HG2      CYS   9   0.992   0.776  -0.517
    4    HB3  CYS   9           HG3      CYS   9   0.733   2.451  -0.044

  No H/Q in entry =           4
  In of MODEL   37
    1    H    CYS  10           H        CYS  10   2.855   2.168  -2.729
    2    HA   CYS  10           HB1      CYS  10   3.404   4.838  -1.946
    3    HB2  CYS  10           HG2      CYS  10   4.927   2.638  -2.560
    4    HB3  CYS  10           HG3      CYS  10   5.215   3.681  -3.948

  No H/Q in entry =           4
  In of MODEL   37
    1    H    ARG  11           H        ARG  11   2.979   6.669  -2.976
    2    HB2  ARG  11           HG2      ARG  11   1.016   8.129  -3.867
    3    HB3  ARG  11           HG3      ARG  11   2.548   8.992  -3.870
    4    HG2  ARG  11           HD2      ARG  11   2.188   9.766  -6.100
    5    HD2  ARG  11           HD3      ARG  11   0.809  10.689  -4.034
    6    HG3  ARG  11           HD3      ARG  11   0.762   8.743  -6.278
    7    HE   ARG  11          HH12      ARG  11  -1.351   9.989  -4.101
    8   HH11  ARG  11          HH21      ARG  11  -0.189  10.201  -7.385
    9   HH12  ARG  11          HH22      ARG  11  -1.714   9.771  -8.084
   10    HD3  ARG  11           HXT      ARG  11   0.585  11.319  -5.665
   11   HH21  ARG  11           HXT      ARG  11  -3.357   9.424  -5.019
   12   HH22  ARG  11           H1       ARG  11  -3.513   9.330  -6.742
   13    HA   ARG  11           HB1      ARG  11   1.893   6.633  -5.639

  No H/Q in entry =          13
  In of MODEL   37
    1    H    GLN  12           H        GLN  12   4.971   7.139  -4.221
    2    HB2  GLN  12           HG2      GLN  12   5.259   9.661  -6.172
    3    HB3  GLN  12           HG3      GLN  12   7.010   9.721  -6.319
    4   HE21  GLN  12          HE22      GLN  12   4.626   8.662 -10.115
    5   HE22  GLN  12           HXT      GLN  12   3.747  10.148 -10.166
    6    HA   GLN  12           HB1      GLN  12   6.474   7.015  -6.490
    7    HG2  GLN  12           HD2      GLN  12   6.974   9.157  -8.483
    8    HG3  GLN  12           HD3      GLN  12   5.692   7.968  -8.258

  No H/Q in entry =           8
  In of MODEL   37
    1    H    CYS  13           H        CYS  13   6.022   8.422  -3.345
    2    HA   CYS  13           HB1      CYS  13   8.703   7.608  -2.587
    3    HB2  CYS  13           HG2      CYS  13   9.027   9.921  -3.362
    4    HB3  CYS  13           HG3      CYS  13   7.781  10.470  -2.246

  No H/Q in entry =           4
  In of MODEL   37
    1    H    LYS  14           H        LYS  14   5.726   9.251  -1.562
    2    HB2  LYS  14           HG2      LYS  14   4.212  10.202  -0.172
    3    HB3  LYS  14           HG3      LYS  14   3.759   9.494   1.372
    4    HG2  LYS  14           HG3      LYS  14   6.205  10.271   2.025
    5    HG3  LYS  14           HD2      LYS  14   5.909  11.427   0.725
    6    HD2  LYS  14           HD3      LYS  14   3.885  10.999   2.894
    7    HE2  LYS  14           HE3      LYS  14   3.549  12.354   0.705
    8    HE3  LYS  14           HZ1      LYS  14   3.015  13.032   2.242
    9    HZ1  LYS  14           HZ2      LYS  14   5.684  13.625   1.113
   10    HZ2  LYS  14           HZ3      LYS  14   4.320  14.544   0.715
   11    HD3  LYS  14           HXT      LYS  14   5.261  12.076   3.141
   12    HZ3  LYS  14           HXT      LYS  14   4.847  14.464   2.320
   13    HA   LYS  14           HB1      LYS  14   6.061   8.255   1.153

  No H/Q in entry =          13
  In of MODEL   37
    1    H    LEU  15           H        LEU  15   4.050   7.331   2.220
    2   HD11  LEU  15          HD12      LEU  15   2.660   3.858   4.868
    3   HD12  LEU  15          HD13      LEU  15   3.326   5.053   5.981
    4   HD13  LEU  15          HD21      LEU  15   1.731   5.301   5.271
    5   HD21  LEU  15          HD22      LEU  15   5.396   5.068   3.628
    6   HD22  LEU  15          HD23      LEU  15   5.152   6.806   3.798
    7   HD23  LEU  15           HXT      LEU  15   5.062   5.760   5.215
    8    HG   LEU  15           HXT      LEU  15   2.904   6.625   3.862
    9    HA   LEU  15           HB1      LEU  15   3.030   5.194   0.502
   10    HB2  LEU  15           HG2      LEU  15   2.248   4.256   2.751
   11    HB3  LEU  15           HG3      LEU  15   3.970   4.268   2.422

  No H/Q in entry =          11
  In of MODEL   37
    1    H    LYS  16           H        LYS  16   0.887   4.848   0.125
    2    HB2  LYS  16           HG2      LYS  16  -1.031   4.151  -0.492
    3    HB3  LYS  16           HG3      LYS  16  -2.558   4.871  -0.002
    4    HG2  LYS  16           HG3      LYS  16  -2.446   6.485  -1.752
    5    HG3  LYS  16           HD2      LYS  16  -0.795   6.009  -2.156
    6    HD2  LYS  16           HD3      LYS  16  -2.087   3.636  -2.383
    7    HE2  LYS  16           HE3      LYS  16  -1.429   5.794  -4.326
    8    HE3  LYS  16           HZ1      LYS  16  -0.725   4.188  -4.147
    9    HZ1  LYS  16           HZ2      LYS  16  -2.958   3.339  -4.944
   10    HZ2  LYS  16           HZ3      LYS  16  -3.291   4.929  -5.417
   11    HD3  LYS  16           HXT      LYS  16  -3.359   4.756  -2.873
   12    HZ3  LYS  16           HXT      LYS  16  -1.984   4.100  -6.098
   13    HA   LYS  16           HB1      LYS  16  -0.875   7.015   0.171

  No H/Q in entry =          13
  In of MODEL   37
    1    HB2  PRO  17           HG2      PRO  17  -5.502   7.109   3.536
    2    HB3  PRO  17           HG3      PRO  17  -4.438   8.506   3.343
    3    HG2  PRO  17           HD2      PRO  17  -5.406   6.561   1.285
    4    HD2  PRO  17           HD3      PRO  17  -3.437   6.664   0.082
    5    HG3  PRO  17           HD3      PRO  17  -5.256   8.325   1.176
    6    HD3  PRO  17           HXT      PRO  17  -2.981   8.233   0.778
    7    HA   PRO  17           HB1      PRO  17  -2.832   7.067   4.112

  No H/Q in entry =           7
  In of MODEL   37
    1    H    ALA  18           H        ALA  18  -3.632   5.745   5.693
    2    HA   ALA  18           HB1      ALA  18  -3.622   2.983   5.302
    3    HB1  ALA  18           HB2      ALA  18  -4.565   4.747   7.523
    4    HB2  ALA  18           HB3      ALA  18  -3.209   3.621   7.484
    5    HB3  ALA  18           HXT      ALA  18  -4.860   3.009   7.587

  No H/Q in entry =           5
  In of MODEL   37
    1    H    GLY  19           H        GLY  19  -5.455   1.482   5.809
    2    HA2  GLY  19           HA3      GLY  19  -8.147   2.208   5.566
    3    HA3  GLY  19           HXT      GLY  19  -7.501   0.605   5.252

  No H/Q in entry =           3
  In of MODEL   37
    1    H    THR  20           H        THR  20  -5.713   1.957   3.145
    2    HG1  THR  20          HG21      THR  20  -7.230   4.776   1.282
    3   HG21  THR  20          HG22      THR  20  -6.388   2.772  -1.144
    4   HG22  THR  20          HG23      THR  20  -6.787   4.452  -0.782
    5   HG23  THR  20           HXT      THR  20  -5.105   3.977  -1.024
    6    HA   THR  20           HB1      THR  20  -7.777   2.323   1.080
    7    HB   THR  20          HG12      THR  20  -4.884   3.206   1.060

  No H/Q in entry =           7
  In of MODEL   37
    1    H    THR  21           H        THR  21  -8.044   0.729  -0.327
    2    HG1  THR  21          HG21      THR  21  -9.003   0.356  -2.057
    3   HG21  THR  21          HG22      THR  21  -8.624  -2.800  -0.377
    4   HG22  THR  21          HG23      THR  21  -9.396  -2.973  -1.953
    5   HG23  THR  21           HXT      THR  21  -7.707  -3.437  -1.742
    6    HA   THR  21           HB1      THR  21  -6.531  -1.625  -0.321
    7    HB   THR  21          HG12      THR  21  -7.803  -1.324  -2.864

  No H/Q in entry =           7
  In of MODEL   37
    1    H    CYS  22           H        CYS  22  -5.181  -2.532  -1.973
    2    HA   CYS  22           HB1      CYS  22  -4.072  -0.866  -4.025
    3    HB2  CYS  22           HG2      CYS  22  -1.755  -0.881  -3.154
    4    HB3  CYS  22           HG3      CYS  22  -2.847   0.052  -2.135

  No H/Q in entry =           4
  In of MODEL   37
    1    H    TRP  23           H        TRP  23  -5.353  -3.333  -4.092
    2    HE1  TRP  23           HE3      TRP  23  -1.180  -8.568  -6.699
    3    HE3  TRP  23           HZ2      TRP  23  -3.521  -8.399  -1.896
    4    HZ2  TRP  23           HZ3      TRP  23  -0.994 -11.016  -5.306
    5    HZ3  TRP  23           HH2      TRP  23  -2.898 -10.745  -1.497
    6    HH2  TRP  23           HXT      TRP  23  -1.661 -12.026  -3.168
    7    HA   TRP  23           HB1      TRP  23  -3.582  -4.854  -5.650
    8    HB2  TRP  23           HG2      TRP  23  -2.764  -5.306  -3.236
    9    HB3  TRP  23           HG3      TRP  23  -4.223  -6.279  -3.079
   10    HD1  TRP  23           HD2      TRP  23  -2.172  -6.224  -6.322

  No H/Q in entry =          10
  In of MODEL   37
    1    H    LYS  24           H        LYS  24  -4.552  -6.870  -6.425
    2    HB2  LYS  24           HG2      LYS  24  -6.635  -5.889  -8.203
    3    HB3  LYS  24           HG3      LYS  24  -7.938  -7.069  -8.261
    4    HG2  LYS  24           HG3      LYS  24  -8.707  -5.843  -6.067
    5    HG3  LYS  24           HD2      LYS  24  -7.747  -4.523  -6.740
    6    HD2  LYS  24           HD3      LYS  24  -9.627  -5.892  -8.575
    7    HE2  LYS  24           HE3      LYS  24  -8.614  -3.114  -8.103
    8    HE3  LYS  24           HZ1      LYS  24  -8.493  -4.110  -9.553
    9    HZ1  LYS  24           HZ2      LYS  24 -11.028  -3.916  -9.601
   10    HZ2  LYS  24           HZ3      LYS  24 -10.828  -2.623  -8.529
   11    HD3  LYS  24           HXT      LYS  24 -10.333  -4.876  -7.317
   12    HZ3  LYS  24           HXT      LYS  24 -10.124  -2.564 -10.067
   13    HA   LYS  24           HB1      LYS  24  -7.266  -7.491  -5.755

  No H/Q in entry =          13
  In of MODEL   37
    1    H    THR  25           H        THR  25  -7.303  -9.631  -5.874
    2    HG1  THR  25          HG21      THR  25  -5.313 -10.367  -4.890
    3   HG21  THR  25          HG22      THR  25  -3.948 -11.340  -7.741
    4   HG22  THR  25          HG23      THR  25  -3.554 -10.745  -6.128
    5   HG23  THR  25           HXT      THR  25  -3.424 -12.466  -6.489
    6    HA   THR  25           HB1      THR  25  -5.985 -10.938  -8.153
    7    HB   THR  25          HG12      THR  25  -5.629 -12.822  -6.271

  No H/Q in entry =           7
  In of MODEL   37
    1    H    SER  26           H        SER  26  -8.191 -10.930  -8.985
    2    HG   SER  26           HXT      SER  26 -11.283 -14.230  -9.260
    3    HA   SER  26           HB1      SER  26 -10.197 -11.901  -9.443
    4    HB2  SER  26           HG2      SER  26  -8.487 -13.864  -9.541
    5    HB3  SER  26           HG3      SER  26  -9.257 -14.387  -8.043

  No H/Q in entry =           5
  In of MODEL   37
    1    H    VAL  27           H        VAL  27 -11.221 -10.465  -7.896
    2    HB   VAL  27          HG12      VAL  27 -12.695 -13.017  -5.534
    3   HG11  VAL  27          HG12      VAL  27 -14.125 -11.008  -4.462
    4   HG12  VAL  27          HG13      VAL  27 -15.245 -11.545  -5.714
    5   HG13  VAL  27          HG21      VAL  27 -14.672 -12.684  -4.496
    6   HG21  VAL  27          HG22      VAL  27 -13.992 -11.794  -7.952
    7   HG22  VAL  27          HG23      VAL  27 -12.918 -13.190  -7.865
    8   HG23  VAL  27           HXT      VAL  27 -14.565 -13.305  -7.245
    9    HA   VAL  27           HB1      VAL  27 -12.841 -10.116  -6.326

  No H/Q in entry =           9
  In of MODEL   37
    1    H    SER  28           H        SER  28  -9.987  -9.954  -5.771
    2    HG   SER  28           HXT      SER  28  -7.337 -12.074  -2.409
    3    HA   SER  28           HB1      SER  28 -10.118 -10.196  -2.842
    4    HB2  SER  28           HG2      SER  28  -8.526 -11.811  -4.330
    5    HB3  SER  28           HG3      SER  28  -7.436 -10.450  -4.063

  No H/Q in entry =           5
  In of MODEL   37
    1    H    SER  29           H        SER  29  -8.364  -8.809  -1.789
    2    HG   SER  29           HXT      SER  29 -10.416  -4.927  -1.378
    3    HA   SER  29           HB1      SER  29  -7.206  -6.636  -3.129
    4    HB2  SER  29           HG2      SER  29  -8.665  -4.839  -2.778
    5    HB3  SER  29           HG3      SER  29  -9.751  -6.133  -3.286

  No H/Q in entry =           5
  In of MODEL   37
    1    H    HIS  30           H        HIS  30  -5.778  -5.610  -1.825
    2    HD1  HIS  30           HD2      HIS  30  -1.859  -7.648   1.333
    3    HD2  HIS  30           HE1      HIS  30  -5.603  -8.712  -0.120
    4    HE1  HIS  30           HE2      HIS  30  -2.060 -10.121   1.741
    5    HE2  HIS  30           HXT      HIS  30  -4.297 -10.758   0.774
    6    HA   HIS  30           HB1      HIS  30  -5.884  -6.284   1.041
    7    HB2  HIS  30           HG2      HIS  30  -3.635  -6.111  -0.909
    8    HB3  HIS  30           HG3      HIS  30  -3.315  -5.649   0.760

  No H/Q in entry =           8
  In of MODEL   37
    1    H    TYR  31           H        TYR  31  -5.869  -4.682   2.509
    2    HD1  TYR  31           HD2      TYR  31  -8.055  -0.310   1.815
    3    HD2  TYR  31           HE1      TYR  31  -8.743  -4.363   2.909
    4    HE1  TYR  31           HE2      TYR  31 -10.166  -0.286   0.554
    5    HE2  TYR  31           HH       TYR  31 -10.855  -4.351   1.650
    6    HH   TYR  31           HXT      TYR  31 -11.643  -2.094  -0.599
    7    HA   TYR  31           HB1      TYR  31  -5.777  -1.932   1.487
    8    HB2  TYR  31           HG2      TYR  31  -7.012  -3.136   3.962
    9    HB3  TYR  31           HG3      TYR  31  -6.857  -1.398   3.729

  No H/Q in entry =           9
  In of MODEL   37
    1    H    CYS  32           H        CYS  32  -4.400  -0.416   2.298
    2    HA   CYS  32           HB1      CYS  32  -2.071  -1.400   3.687
    3    HB2  CYS  32           HG2      CYS  32  -2.833   1.156   2.340
    4    HB3  CYS  32           HG3      CYS  32  -1.505   1.176   3.495

  No H/Q in entry =           4
  In of MODEL   37
    1    H    THR  33           H        THR  33  -1.203  -0.414   5.617
    2    HG1  THR  33          HG21      THR  33  -1.216   0.500   9.697
    3   HG21  THR  33          HG22      THR  33   0.100  -0.467   7.218
    4   HG22  THR  33          HG23      THR  33   0.261  -1.015   8.887
    5   HG23  THR  33           HXT      THR  33  -0.289  -2.134   7.639
    6    HA   THR  33           HB1      THR  33  -3.334   0.481   7.438
    7    HB   THR  33          HG12      THR  33  -2.364  -1.592   8.168

  No H/Q in entry =           7
  In of MODEL   37
    1    H    GLY  34           H        GLY  34  -1.561   2.095   5.566
    2    HA2  GLY  34           HA3      GLY  34  -1.306   4.397   7.075
    3    HA3  GLY  34           HXT      GLY  34  -0.414   4.084   5.594

  No H/Q in entry =           3
  In of MODEL   37
    1    H    ARG  35           H        ARG  35   0.905   1.714   6.831
    2    HB2  ARG  35           HG2      ARG  35   1.686   0.314   8.425
    3    HB3  ARG  35           HG3      ARG  35   3.431   0.383   8.631
    4    HG2  ARG  35           HD2      ARG  35   2.288   0.057  10.756
    5    HD2  ARG  35           HD3      ARG  35   0.717   2.342   9.792
    6    HG3  ARG  35           HD3      ARG  35   3.156   1.594  10.720
    7    HE   ARG  35          HH12      ARG  35   2.121   2.910  12.051
    8   HH11  ARG  35          HH21      ARG  35  -1.252   2.333  11.365
    9   HH12  ARG  35          HH22      ARG  35  -1.816   3.359  12.641
   10    HD3  ARG  35           HXT      ARG  35   0.274   1.048  10.905
   11   HH21  ARG  35           HXT      ARG  35   1.381   4.260  13.729
   12   HH22  ARG  35           H1       ARG  35  -0.321   4.454  13.983
   13    HA   ARG  35           HB1      ARG  35   2.633   3.042   8.797

  No H/Q in entry =          13
  In of MODEL   37
    1    H    SER  36           H        SER  36   2.642   1.472   5.664
    2    HG   SER  36           HXT      SER  36   7.368   0.137   4.820
    3    HA   SER  36           HB1      SER  36   5.184   2.701   5.042
    4    HB2  SER  36           HG2      SER  36   5.639   0.411   6.142
    5    HB3  SER  36           HG3      SER  36   4.995  -0.280   4.653

  No H/Q in entry =           5
  In of MODEL   37
    1    H    CYS  37           H        CYS  37   5.835   2.065   2.713
    2    HA   CYS  37           HB1      CYS  37   3.604   2.658   1.033
    3    HB2  CYS  37           HG2      CYS  37   6.533   2.315   0.675
    4    HB3  CYS  37           HG3      CYS  37   5.525   2.083  -0.750

  No H/Q in entry =           4
  In of MODEL   37
    1    H    GLU  38           H        GLU  38   5.353  -0.235   1.891
    2    HB2  GLU  38           HG2      GLU  38   6.289  -2.214   1.703
    3    HB3  GLU  38           HG3      GLU  38   4.950  -3.073   2.451
    4    HA   GLU  38           HB1      GLU  38   4.482  -1.878  -0.234
    5    HG2  GLU  38           HD2      GLU  38   5.426  -3.777  -0.350
    6    HG3  GLU  38           HD3      GLU  38   6.752  -4.169   0.743

  No H/Q in entry =           6
  In of MODEL   37
    1    H    CYS  39           H        CYS  39   2.922  -3.612  -0.149
    2    HA   CYS  39           HB1      CYS  39   0.561  -2.866   1.435
    3    HB2  CYS  39           HG2      CYS  39   0.828  -4.400  -1.155
    4    HB3  CYS  39           HG3      CYS  39  -0.685  -4.251  -0.267

  No H/Q in entry =           4
  In of MODEL   37
    1    HB2  PRO  40           HG2      PRO  40   0.866  -6.103   5.912
    2    HB3  PRO  40           HG3      PRO  40   2.464  -5.565   5.382
    3    HG2  PRO  40           HD2      PRO  40  -0.137  -4.083   5.361
    4    HD2  PRO  40           HD3      PRO  40   0.390  -2.948   3.424
    5    HG3  PRO  40           HD3      PRO  40   1.473  -3.511   5.837
    6    HD3  PRO  40           HXT      PRO  40   2.136  -3.172   3.654
    7    HA   PRO  40           HB1      PRO  40   1.918  -6.750   3.492

  No H/Q in entry =           7
  In of MODEL   37
    1    H    SER  41           H        SER  41   0.585  -8.330   4.796
    2    HG   SER  41           HXT      SER  41   0.206 -10.518   3.056
    3    HA   SER  41           HB1      SER  41  -1.990  -8.637   3.502
    4    HB2  SER  41           HG2      SER  41  -1.125 -10.602   5.547
    5    HB3  SER  41           HG3      SER  41  -1.790 -10.868   3.936

  No H/Q in entry =           5
  In of MODEL   37
    1    H    TYR  42           H        TYR  42  -2.408  -6.521   4.924
    2    HD1  TYR  42           HD2      TYR  42  -3.347  -5.653  10.175
    3    HD2  TYR  42           HE1      TYR  42  -0.358  -6.781   7.366
    4    HE1  TYR  42           HE2      TYR  42  -2.000  -6.605  11.999
    5    HE2  TYR  42           HH       TYR  42   0.997  -7.737   9.182
    6    HH   TYR  42           HXT      TYR  42   1.260  -7.541  11.583
    7    HA   TYR  42           HB1      TYR  42  -3.797  -7.439   7.356
    8    HB2  TYR  42           HG2      TYR  42  -2.114  -5.023   6.866
    9    HB3  TYR  42           HG3      TYR  42  -3.486  -4.874   7.959

  No H/Q in entry =           9
  In of MODEL   37
    1    HB2  PRO  43           HG2      PRO  43  -8.845  -7.610   4.989
    2    HB3  PRO  43           HG3      PRO  43  -7.577  -7.875   3.787
    3    HG2  PRO  43           HD2      PRO  43  -7.719  -8.808   6.628
    4    HD2  PRO  43           HD3      PRO  43  -5.443  -8.614   6.931
    5    HG3  PRO  43           HD3      PRO  43  -7.204  -9.698   5.183
    6    HD3  PRO  43           HXT      PRO  43  -5.103  -8.748   5.194
    7    HA   PRO  43           HB1      PRO  43  -6.952  -5.753   4.413

  No H/Q in entry =           7
  In of MODEL   37
    1    H    GLY  44           H        GLY  44  -9.529  -5.708   5.092
    2    HA2  GLY  44           HA3      GLY  44  -9.756  -3.722   7.011
    3    HA3  GLY  44           HXT      GLY  44 -10.063  -5.238   7.844

  No H/Q in entry =           3
  In of MODEL   38
    1    H1   ALA   1           H1       ALA   1   9.407  10.803   4.680
    2    H2   ALA   1           H2       ALA   1  10.027   9.290   4.158
    3    H3   ALA   1           H3       ALA   1   9.072   9.384   5.581
    4    HA   ALA   1           HB1      ALA   1  10.729  10.706   6.640
    5    HB1  ALA   1           HB2      ALA   1  12.323   8.430   5.652
    6    HB2  ALA   1           HB3      ALA   1  11.919   8.905   7.301
    7    HB3  ALA   1           HXT      ALA   1  10.737   8.041   6.317

  No H/Q in entry =           7
  In of MODEL   38
    1    H    MET   2           H        MET   2  12.296   9.221   3.802
    2    HB2  MET   2           HG2      MET   2  14.810  10.819   4.896
    3    HB3  MET   2           HG3      MET   2  15.464   9.763   3.652
    4    HE1  MET   2           HE2      MET   2  15.319  13.401   5.467
    5    HE2  MET   2           HE3      MET   2  16.706  13.481   6.553
    6    HE3  MET   2           HXT      MET   2  16.671  14.470   5.094
    7    HA   MET   2           HB1      MET   2  13.347  11.740   2.908
    8    HG2  MET   2           HD2      MET   2  16.396  11.516   2.467
    9    HG3  MET   2           HD3      MET   2  15.331  12.712   3.203

  No H/Q in entry =           9
  In of MODEL   38
    1    H    ASP   3           H        ASP   3  14.280   8.296   2.768
    2    HA   ASP   3           HB1      ASP   3  14.903   8.349   0.015
    3    HB2  ASP   3           HG2      ASP   3  14.417   6.161   2.011
    4    HB3  ASP   3           HG3      ASP   3  14.605   5.773   0.303

  No H/Q in entry =           4
  In of MODEL   38
    1    H    CYS   4           H        CYS   4  13.720   7.944  -1.777
    2    HA   CYS   4           HB1      CYS   4  10.905   8.224  -1.660
    3    HB2  CYS   4           HG2      CYS   4  12.869   7.625  -3.847
    4    HB3  CYS   4           HG3      CYS   4  11.141   7.497  -4.158

  No H/Q in entry =           4
  In of MODEL   38
    1    H    THR   5           H        THR   5   9.380   6.748  -1.343
    2    HG1  THR   5          HG21      THR   5   7.036   5.643  -1.429
    3   HG21  THR   5          HG22      THR   5   9.639   4.022   1.209
    4   HG22  THR   5          HG23      THR   5   9.378   5.763   1.096
    5   HG23  THR   5           HXT      THR   5   8.130   4.727   1.788
    6    HA   THR   5           HB1      THR   5  10.115   3.939  -1.230
    7    HB   THR   5          HG12      THR   5   7.782   3.661  -0.346

  No H/Q in entry =           7
  In of MODEL   38
    1    H    THR   6           H        THR   6   9.640   2.466  -2.733
    2    HG1  THR   6          HG21      THR   6  10.064   3.958  -5.975
    3   HG21  THR   6          HG22      THR   6   8.170   2.362  -7.047
    4   HG22  THR   6          HG23      THR   6   9.829   2.078  -7.572
    5   HG23  THR   6           HXT      THR   6   8.872   0.749  -6.918
    6    HA   THR   6           HB1      THR   6   7.835   3.265  -4.921
    7    HB   THR   6          HG12      THR   6  10.098   1.269  -5.081

  No H/Q in entry =           7
  In of MODEL   38
    1    H    GLY   7           H        GLY   7   6.233   1.890  -5.560
    2    HA2  GLY   7           HA3      GLY   7   5.623  -0.291  -3.726
    3    HA3  GLY   7           HXT      GLY   7   5.861  -0.739  -5.409

  No H/Q in entry =           3
  In of MODEL   38
    1    HB2  PRO   8           HG2      PRO   8   0.111  -1.437  -4.231
    2    HB3  PRO   8           HG3      PRO   8   0.998  -2.152  -5.582
    3    HG2  PRO   8           HD2      PRO   8   1.780  -1.947  -2.700
    4    HD2  PRO   8           HD3      PRO   8   4.013  -1.679  -3.200
    5    HG3  PRO   8           HD3      PRO   8   1.944  -3.322  -3.808
    6    HD3  PRO   8           HXT      PRO   8   3.852  -2.472  -4.781
    7    HA   PRO   8           HB1      PRO   8   1.550   0.043  -5.988

  No H/Q in entry =           7
  In of MODEL   38
    1    H    CYS   9           H        CYS   9   2.462   0.346  -2.603
    2    HA   CYS   9           HB1      CYS   9   0.270   2.234  -2.144
    3    HB2  CYS   9           HG2      CYS   9   1.933   0.497  -0.422
    4    HB3  CYS   9           HG3      CYS   9   1.513   2.066   0.258

  No H/Q in entry =           4
  In of MODEL   38
    1    H    CYS  10           H        CYS  10   2.591   2.886  -3.806
    2    HA   CYS  10           HB1      CYS  10   3.336   5.350  -2.446
    3    HB2  CYS  10           HG2      CYS  10   5.452   3.571  -3.668
    4    HB3  CYS  10           HG3      CYS  10   5.702   5.088  -2.811

  No H/Q in entry =           4
  In of MODEL   38
    1    H    ARG  11           H        ARG  11   3.682   7.052  -3.818
    2    HB2  ARG  11           HG2      ARG  11   1.816   8.389  -5.355
    3    HB3  ARG  11           HG3      ARG  11   3.362   9.171  -5.058
    4    HG2  ARG  11           HD2      ARG  11   3.466  10.057  -7.125
    5    HD2  ARG  11           HD3      ARG  11   1.315  10.826  -6.332
    6    HG3  ARG  11           HD3      ARG  11   2.715   8.651  -7.883
    7    HE   ARG  11          HH12      ARG  11   0.353   8.227  -7.074
    8   HH11  ARG  11          HH21      ARG  11  -0.550  11.559  -6.564
    9   HH12  ARG  11          HH22      ARG  11  -2.209  11.190  -6.233
   10    HD3  ARG  11           HXT      ARG  11   1.258  10.576  -8.076
   11   HH21  ARG  11           HXT      ARG  11  -1.829   7.739  -6.640
   12   HH22  ARG  11           H1       ARG  11  -2.935   9.021  -6.276
   13    HA   ARG  11           HB1      ARG  11   2.943   6.602  -6.597

  No H/Q in entry =          13
  In of MODEL   38
    1    H    GLN  12           H        GLN  12   5.328   5.492  -6.288
    2    HB2  GLN  12           HG2      GLN  12   6.016   7.291  -8.806
    3    HB3  GLN  12           HG3      GLN  12   7.485   8.133  -8.335
    4   HE21  GLN  12          HE22      GLN  12   6.030   5.605 -11.155
    5   HE22  GLN  12           HXT      GLN  12   6.052   3.909 -10.822
    6    HA   GLN  12           HB1      GLN  12   7.365   5.402  -7.307
    7    HG2  GLN  12           HD2      GLN  12   7.666   6.978 -10.503
    8    HG3  GLN  12           HD3      GLN  12   8.850   6.428  -9.318

  No H/Q in entry =           8
  In of MODEL   38
    1    H    CYS  13           H        CYS  13   6.590   7.178  -4.746
    2    HA   CYS  13           HB1      CYS  13   9.189   7.393  -3.747
    3    HB2  CYS  13           HG2      CYS  13   9.445   9.218  -5.363
    4    HB3  CYS  13           HG3      CYS  13   8.029  10.022  -4.696

  No H/Q in entry =           4
  In of MODEL   38
    1    H    LYS  14           H        LYS  14   6.172   9.295  -3.634
    2    HB2  LYS  14           HG2      LYS  14   4.269  10.156  -2.981
    3    HB3  LYS  14           HG3      LYS  14   3.671  10.097  -1.328
    4    HG2  LYS  14           HG3      LYS  14   6.077  11.745  -1.827
    5    HG3  LYS  14           HD2      LYS  14   4.543  12.334  -2.470
    6    HD2  LYS  14           HD3      LYS  14   4.626  11.376   0.347
    7    HE2  LYS  14           HE3      LYS  14   3.016  13.193   0.651
    8    HE3  LYS  14           HZ1      LYS  14   3.233  13.668  -1.033
    9    HZ1  LYS  14           HZ2      LYS  14   2.224  11.019  -0.148
   10    HZ2  LYS  14           HZ3      LYS  14   1.243  12.298  -0.663
   11    HD3  LYS  14           HXT      LYS  14   5.341  12.945  -0.027
   12    HZ3  LYS  14           HXT      LYS  14   2.327  11.576  -1.741
   13    HA   LYS  14           HB1      LYS  14   6.240   9.618  -0.815

  No H/Q in entry =          13
  In of MODEL   38
    1    H    LEU  15           H        LEU  15   4.392   8.874   0.598
    2   HD11  LEU  15          HD12      LEU  15   2.094   5.622   3.257
    3   HD12  LEU  15          HD13      LEU  15   2.220   4.549   1.863
    4   HD13  LEU  15          HD21      LEU  15   2.598   3.946   3.476
    5   HD21  LEU  15          HD22      LEU  15   5.522   4.828   1.085
    6   HD22  LEU  15          HD23      LEU  15   5.316   3.503   2.231
    7   HD23  LEU  15           HXT      LEU  15   4.077   3.819   1.016
    8    HG   LEU  15           HXT      LEU  15   4.591   5.145   3.595
    9    HA   LEU  15           HB1      LEU  15   3.922   6.010   0.111
   10    HB2  LEU  15           HG2      LEU  15   5.220   6.973   2.184
   11    HB3  LEU  15           HG3      LEU  15   3.607   7.282   2.797

  No H/Q in entry =          11
  In of MODEL   38
    1    H    LYS  16           H        LYS  16   1.899   5.258  -0.062
    2    HB2  LYS  16           HG2      LYS  16   0.082   4.030  -0.162
    3    HB3  LYS  16           HG3      LYS  16  -1.548   4.660   0.034
    4    HG2  LYS  16           HG3      LYS  16  -0.953   5.923  -2.205
    5    HG3  LYS  16           HD2      LYS  16   0.182   4.582  -2.375
    6    HD2  LYS  16           HD3      LYS  16  -1.582   2.978  -2.252
    7    HE2  LYS  16           HE3      LYS  16  -3.106   3.724  -4.097
    8    HE3  LYS  16           HZ1      LYS  16  -2.329   5.305  -4.013
    9    HZ1  LYS  16           HZ2      LYS  16  -0.191   3.793  -4.247
   10    HZ2  LYS  16           HZ3      LYS  16  -1.290   2.774  -5.031
   11    HD3  LYS  16           HXT      LYS  16  -2.753   4.218  -1.796
   12    HZ3  LYS  16           HXT      LYS  16  -1.047   4.350  -5.597
   13    HA   LYS  16           HB1      LYS  16  -0.281   6.969  -0.430

  No H/Q in entry =          13
  In of MODEL   38
    1    HB2  PRO  17           HG2      PRO  17  -4.460   7.920   3.162
    2    HB3  PRO  17           HG3      PRO  17  -3.376   9.244   2.725
    3    HG2  PRO  17           HD2      PRO  17  -4.479   7.053   1.015
    4    HD2  PRO  17           HD3      PRO  17  -2.561   6.905  -0.266
    5    HG3  PRO  17           HD3      PRO  17  -4.273   8.774   0.638
    6    HD3  PRO  17           HXT      PRO  17  -2.017   8.534   0.188
    7    HA   PRO  17           HB1      PRO  17  -1.754   7.904   3.617

  No H/Q in entry =           7
  In of MODEL   38
    1    H    ALA  18           H        ALA  18  -2.449   6.885   5.445
    2    HA   ALA  18           HB1      ALA  18  -2.659   4.070   5.428
    3    HB1  ALA  18           HB2      ALA  18  -3.503   5.858   7.695
    4    HB2  ALA  18           HB3      ALA  18  -1.814   5.527   7.311
    5    HB3  ALA  18           HXT      ALA  18  -2.887   4.207   7.777

  No H/Q in entry =           5
  In of MODEL   38
    1    H    GLY  19           H        GLY  19  -4.349   2.820   5.003
    2    HA2  GLY  19           HA3      GLY  19  -7.049   3.859   5.564
    3    HA3  GLY  19           HXT      GLY  19  -6.616   2.158   5.499

  No H/Q in entry =           3
  In of MODEL   38
    1    H    THR  20           H        THR  20  -4.972   2.774   3.019
    2    HG1  THR  20          HG21      THR  20  -5.465   5.203   1.963
    3   HG21  THR  20          HG22      THR  20  -5.661   2.867  -1.328
    4   HG22  THR  20          HG23      THR  20  -6.568   4.371  -1.162
    5   HG23  THR  20           HXT      THR  20  -4.831   4.417  -1.462
    6    HA   THR  20           HB1      THR  20  -7.225   2.999   1.133
    7    HB   THR  20          HG12      THR  20  -4.314   3.686   0.681

  No H/Q in entry =           7
  In of MODEL   38
    1    H    THR  21           H        THR  21  -7.492   1.452  -0.407
    2    HG1  THR  21          HG21      THR  21  -9.081   0.241  -0.389
    3   HG21  THR  21          HG22      THR  21  -8.025  -2.126   0.385
    4   HG22  THR  21          HG23      THR  21  -9.433  -2.127  -0.677
    5   HG23  THR  21           HXT      THR  21  -7.984  -3.022  -1.134
    6    HA   THR  21           HB1      THR  21  -6.186  -1.064   0.021
    7    HB   THR  21          HG12      THR  21  -7.657  -1.171  -2.389

  No H/Q in entry =           7
  In of MODEL   38
    1    H    CYS  22           H        CYS  22  -4.753  -2.136  -1.291
    2    HA   CYS  22           HB1      CYS  22  -3.570  -0.553  -3.477
    3    HB2  CYS  22           HG2      CYS  22  -1.414  -1.555  -2.945
    4    HB3  CYS  22           HG3      CYS  22  -2.074  -0.752  -1.524

  No H/Q in entry =           4
  In of MODEL   38
    1    H    TRP  23           H        TRP  23  -4.347  -3.798  -2.314
    2    HE1  TRP  23           HE3      TRP  23  -1.133  -8.185  -6.246
    3    HE3  TRP  23           HZ2      TRP  23  -4.790  -9.162  -2.471
    4    HZ2  TRP  23           HZ3      TRP  23  -1.541 -10.943  -5.807
    5    HZ3  TRP  23           HH2      TRP  23  -4.477 -11.583  -2.778
    6    HH2  TRP  23           HXT      TRP  23  -2.886 -12.454  -4.412
    7    HA   TRP  23           HB1      TRP  23  -3.809  -4.919  -4.955
    8    HB2  TRP  23           HG2      TRP  23  -3.427  -5.924  -2.428
    9    HB3  TRP  23           HG3      TRP  23  -4.926  -6.710  -2.912
   10    HD1  TRP  23           HD2      TRP  23  -2.030  -5.951  -5.336

  No H/Q in entry =          10
  In of MODEL   38
    1    H    LYS  24           H        LYS  24  -5.392  -4.701  -6.395
    2    HB2  LYS  24           HG2      LYS  24  -7.317  -2.854  -6.716
    3    HB3  LYS  24           HG3      LYS  24  -7.364  -3.862  -8.156
    4    HG2  LYS  24           HG3      LYS  24  -9.753  -4.284  -7.759
    5    HG3  LYS  24           HD2      LYS  24  -9.690  -3.214  -6.357
    6    HD2  LYS  24           HD3      LYS  24  -9.087  -1.342  -7.771
    7    HE2  LYS  24           HE3      LYS  24 -11.397  -2.856  -8.982
    8    HE3  LYS  24           HZ1      LYS  24 -11.481  -1.869  -7.524
    9    HZ1  LYS  24           HZ2      LYS  24 -10.455  -0.648  -9.984
   10    HZ2  LYS  24           HZ3      LYS  24 -12.123  -0.891  -9.843
   11    HD3  LYS  24           HXT      LYS  24  -9.019  -2.398  -9.184
   12    HZ3  LYS  24           HXT      LYS  24 -11.308   0.059  -8.705
   13    HA   LYS  24           HB1      LYS  24  -8.177  -4.966  -5.483

  No H/Q in entry =          13
  In of MODEL   38
    1    H    THR  25           H        THR  25  -6.498  -7.242  -5.918
    2    HG1  THR  25          HG21      THR  25  -6.333 -10.254  -4.895
    3   HG21  THR  25          HG22      THR  25  -4.866  -9.506  -8.337
    4   HG22  THR  25          HG23      THR  25  -4.305  -8.834  -6.806
    5   HG23  THR  25           HXT      THR  25  -4.397 -10.582  -7.020
    6    HA   THR  25           HB1      THR  25  -6.819  -8.423  -8.436
    7    HB   THR  25          HG12      THR  25  -6.709 -10.603  -6.929

  No H/Q in entry =           7
  In of MODEL   38
    1    H    SER  26           H        SER  26  -8.114 -10.547  -8.691
    2    HG   SER  26           HXT      SER  26  -9.753  -9.621 -10.755
    3    HA   SER  26           HB1      SER  26 -10.902  -9.897  -8.101
    4    HB2  SER  26           HG2      SER  26  -9.601 -11.760 -10.088
    5    HB3  SER  26           HG3      SER  26 -11.339 -11.764  -9.789

  No H/Q in entry =           5
  In of MODEL   38
    1    H    VAL  27           H        VAL  27 -10.095 -10.597  -5.804
    2    HB   VAL  27          HG12      VAL  27  -9.484 -14.077  -6.128
    3   HG11  VAL  27          HG12      VAL  27  -7.852 -12.285  -5.686
    4   HG12  VAL  27          HG13      VAL  27  -7.887 -12.699  -3.972
    5   HG13  VAL  27          HG21      VAL  27  -7.281 -13.865  -5.149
    6   HG21  VAL  27          HG22      VAL  27  -9.755 -14.312  -3.136
    7   HG22  VAL  27          HG23      VAL  27 -10.596 -15.251  -4.369
    8   HG23  VAL  27           HXT      VAL  27  -8.859 -15.455  -4.137
    9    HA   VAL  27           HB1      VAL  27 -11.440 -12.969  -5.141

  No H/Q in entry =           9
  In of MODEL   38
    1    H    SER  28           H        SER  28  -8.894 -10.709  -4.233
    2    HG   SER  28           HXT      SER  28 -10.185 -11.407  -0.125
    3    HA   SER  28           HB1      SER  28 -10.246 -10.028  -1.806
    4    HB2  SER  28           HG2      SER  28  -7.904 -11.869  -1.741
    5    HB3  SER  28           HG3      SER  28  -7.985 -10.609  -0.510

  No H/Q in entry =           5
  In of MODEL   38
    1    H    SER  29           H        SER  29  -9.061  -8.341  -0.579
    2    HG   SER  29           HXT      SER  29 -10.438  -6.068  -0.886
    3    HA   SER  29           HB1      SER  29  -7.024  -6.946  -2.158
    4    HB2  SER  29           HG2      SER  29  -8.171  -4.824  -1.980
    5    HB3  SER  29           HG3      SER  29  -9.270  -5.993  -2.713

  No H/Q in entry =           5
  In of MODEL   38
    1    H    HIS  30           H        HIS  30  -5.906  -5.249  -0.922
    2    HD1  HIS  30           HD2      HIS  30  -3.271  -8.237   2.602
    3    HD2  HIS  30           HE1      HIS  30  -4.998  -7.592  -1.122
    4    HE1  HIS  30           HE2      HIS  30  -3.533 -10.519   1.579
    5    HE2  HIS  30           HXT      HIS  30  -4.660 -10.110  -0.638
    6    HA   HIS  30           HB1      HIS  30  -6.060  -5.625   1.987
    7    HB2  HIS  30           HG2      HIS  30  -3.438  -5.456   0.502
    8    HB3  HIS  30           HG3      HIS  30  -3.693  -5.846   2.200

  No H/Q in entry =           8
  In of MODEL   38
    1    H    TYR  31           H        TYR  31  -5.404  -3.852   3.238
    2    HD1  TYR  31           HD2      TYR  31  -8.093   0.500   2.475
    3    HD2  TYR  31           HE1      TYR  31  -7.615  -3.671   3.165
    4    HE1  TYR  31           HE2      TYR  31 -10.289   0.084   1.448
    5    HE2  TYR  31           HH       TYR  31  -9.808  -4.098   2.139
    6    HH   TYR  31           HXT      TYR  31 -11.477  -1.780   0.334
    7    HA   TYR  31           HB1      TYR  31  -5.177  -1.329   1.734
    8    HB2  TYR  31           HG2      TYR  31  -6.340  -1.775   4.491
    9    HB3  TYR  31           HG3      TYR  31  -6.243  -0.229   3.653

  No H/Q in entry =           9
  In of MODEL   38
    1    H    CYS  32           H        CYS  32  -3.891   0.366   2.701
    2    HA   CYS  32           HB1      CYS  32  -1.586  -0.734   4.141
    3    HB2  CYS  32           HG2      CYS  32  -1.977   1.478   2.201
    4    HB3  CYS  32           HG3      CYS  32  -0.756   1.727   3.444

  No H/Q in entry =           4
  In of MODEL   38
    1    H    THR  33           H        THR  33  -0.492   0.842   5.667
    2    HG1  THR  33          HG21      THR  33  -1.178   1.227  10.318
    3   HG21  THR  33          HG22      THR  33   0.815   0.942   7.632
    4   HG22  THR  33          HG23      THR  33   0.587   0.261   9.243
    5   HG23  THR  33           HXT      THR  33   0.014  -0.618   7.826
    6    HA   THR  33           HB1      THR  33  -2.520   2.293   7.238
    7    HB   THR  33          HG12      THR  33  -1.948   0.303   8.450

  No H/Q in entry =           7
  In of MODEL   38
    1    H    GLY  34           H        GLY  34  -0.598   3.222   5.156
    2    HA2  GLY  34           HA3      GLY  34   0.130   5.664   6.263
    3    HA3  GLY  34           HXT      GLY  34   0.824   4.987   4.798

  No H/Q in entry =           3
  In of MODEL   38
    1    H    ARG  35           H        ARG  35   1.841   2.629   6.312
    2    HB2  ARG  35           HG2      ARG  35   2.888   1.121   7.916
    3    HB3  ARG  35           HG3      ARG  35   4.391   1.571   8.709
    4    HG2  ARG  35           HD2      ARG  35   2.811   3.437   9.759
    5    HD2  ARG  35           HD3      ARG  35   2.240   1.535  11.518
    6    HG3  ARG  35           HD3      ARG  35   1.595   2.198   9.439
    7    HE   ARG  35          HH12      ARG  35   5.037   1.876  11.596
    8   HH11  ARG  35          HH21      ARG  35   2.079   3.727  11.644
    9   HH12  ARG  35          HH22      ARG  35   2.764   5.034  12.549
   10    HD3  ARG  35           HXT      ARG  35   3.429   0.648  10.564
   11   HH21  ARG  35           HXT      ARG  35   5.940   3.594  12.787
   12   HH22  ARG  35           H1       ARG  35   4.957   4.959  13.198
   13    HA   ARG  35           HB1      ARG  35   3.976   3.932   7.857

  No H/Q in entry =          13
  In of MODEL   38
    1    H    SER  36           H        SER  36   3.333   1.628   5.277
    2    HG   SER  36           HXT      SER  36   6.481  -0.203   6.702
    3    HA   SER  36           HB1      SER  36   5.815   2.229   3.997
    4    HB2  SER  36           HG2      SER  36   5.531  -0.642   4.873
    5    HB3  SER  36           HG3      SER  36   6.948   0.165   4.203

  No H/Q in entry =           5
  In of MODEL   38
    1    H    CYS  37           H        CYS  37   6.106   0.854   1.996
    2    HA   CYS  37           HB1      CYS  37   3.638   0.789   0.571
    3    HB2  CYS  37           HG2      CYS  37   6.380   0.877  -0.083
    4    HB3  CYS  37           HG3      CYS  37   5.747  -0.587  -0.827

  No H/Q in entry =           4
  In of MODEL   38
    1    H    GLU  38           H        GLU  38   5.601  -1.587   2.188
    2    HB2  GLU  38           HG2      GLU  38   5.908  -3.263   3.584
    3    HB3  GLU  38           HG3      GLU  38   5.130  -4.832   3.426
    4    HA   GLU  38           HB1      GLU  38   4.658  -3.919   0.964
    5    HG2  GLU  38           HD2      GLU  38   6.549  -4.996   1.245
    6    HG3  GLU  38           HD3      GLU  38   7.529  -3.755   2.026

  No H/Q in entry =           6
  In of MODEL   38
    1    H    CYS  39           H        CYS  39   2.477  -3.985   0.620
    2    HA   CYS  39           HB1      CYS  39   0.498  -3.243   2.466
    3    HB2  CYS  39           HG2      CYS  39   0.392  -5.163   0.134
    4    HB3  CYS  39           HG3      CYS  39  -1.025  -4.628   1.031

  No H/Q in entry =           4
  In of MODEL   38
    1    HB2  PRO  40           HG2      PRO  40  -2.204  -6.589   6.053
    2    HB3  PRO  40           HG3      PRO  40  -1.056  -5.349   6.572
    3    HG2  PRO  40           HD2      PRO  40  -3.068  -5.259   4.356
    4    HD2  PRO  40           HD3      PRO  40  -1.713  -3.959   3.020
    5    HG3  PRO  40           HD3      PRO  40  -2.666  -4.014   5.554
    6    HD3  PRO  40           HXT      PRO  40  -0.792  -3.329   4.401
    7    HA   PRO  40           HB1      PRO  40   0.409  -6.605   5.322

  No H/Q in entry =           7
  In of MODEL   38
    1    H    SER  41           H        SER  41  -0.440  -8.742   5.675
    2    HG   SER  41           HXT      SER  41   1.003 -11.728   5.774
    3    HA   SER  41           HB1      SER  41  -1.579  -9.914   3.228
    4    HB2  SER  41           HG2      SER  41  -0.529 -12.012   3.895
    5    HB3  SER  41           HG3      SER  41   0.676 -10.725   3.870

  No H/Q in entry =           5
  In of MODEL   38
    1    H    TYR  42           H        TYR  42  -3.187  -8.658   5.263
    2    HD1  TYR  42           HD2      TYR  42  -2.117  -8.712   8.729
    3    HD2  TYR  42           HE1      TYR  42  -4.133 -12.373   7.936
    4    HE1  TYR  42           HE2      TYR  42  -0.228  -9.955   9.696
    5    HE2  TYR  42           HH       TYR  42  -2.251 -13.626   8.902
    6    HH   TYR  42           HXT      TYR  42  -0.400 -13.197  10.540
    7    HA   TYR  42           HB1      TYR  42  -4.819 -10.979   6.012
    8    HB2  TYR  42           HG2      TYR  42  -4.238  -8.635   7.836
    9    HB3  TYR  42           HG3      TYR  42  -5.315  -9.981   8.195

  No H/Q in entry =           9
  In of MODEL   38
    1    HB2  PRO  43           HG2      PRO  43  -8.972  -9.723   2.561
    2    HB3  PRO  43           HG3      PRO  43  -7.404  -9.231   1.911
    3    HG2  PRO  43           HD2      PRO  43  -8.112 -11.657   3.517
    4    HD2  PRO  43           HD3      PRO  43  -6.079 -11.678   4.602
    5    HG3  PRO  43           HD3      PRO  43  -7.070 -11.526   2.088
    6    HD3  PRO  43           HXT      PRO  43  -5.272 -10.764   3.312
    7    HA   PRO  43           HB1      PRO  43  -7.388  -7.883   3.773

  No H/Q in entry =           7
  In of MODEL   38
    1    H    GLY  44           H        GLY  44  -8.721  -6.951   5.211
    2    HA2  GLY  44           HA3      GLY  44 -10.579  -8.650   6.730
    3    HA3  GLY  44           HXT      GLY  44 -11.222  -7.331   5.764

  No H/Q in entry =           3
  In of MODEL   39
    1    H1   ALA   1           H1       ALA   1  14.990   4.462   7.698
    2    H2   ALA   1           H2       ALA   1  14.771   3.024   6.790
    3    H3   ALA   1           H3       ALA   1  16.324   3.424   7.401
    4    HA   ALA   1           HB1      ALA   1  16.625   5.119   5.937
    5    HB1  ALA   1           HB2      ALA   1  16.578   2.738   4.999
    6    HB2  ALA   1           HB3      ALA   1  15.047   3.200   4.255
    7    HB3  ALA   1           HXT      ALA   1  16.524   4.075   3.849

  No H/Q in entry =           7
  In of MODEL   39
    1    H    MET   2           H        MET   2  15.889   6.956   5.038
    2    HB2  MET   2           HG2      MET   2  15.289   9.149   5.530
    3    HB3  MET   2           HG3      MET   2  13.845   9.849   4.812
    4    HE1  MET   2           HE2      MET   2  12.331   9.562   9.052
    5    HE2  MET   2           HE3      MET   2  12.967  11.051   9.751
    6    HE3  MET   2           HXT      MET   2  11.596  11.112   8.643
    7    HA   MET   2           HB1      MET   2  12.976   7.347   4.985
    8    HG2  MET   2           HD2      MET   2  12.543   8.821   6.703
    9    HG3  MET   2           HD3      MET   2  14.093   8.438   7.451

  No H/Q in entry =           9
  In of MODEL   39
    1    H    ASP   3           H        ASP   3  14.458   6.042   2.855
    2    HA   ASP   3           HB1      ASP   3  14.558   7.990   0.702
    3    HB2  ASP   3           HG2      ASP   3  15.126   5.023   0.794
    4    HB3  ASP   3           HG3      ASP   3  15.222   5.987  -0.677

  No H/Q in entry =           4
  In of MODEL   39
    1    H    CYS   4           H        CYS   4  13.603   6.974  -1.474
    2    HA   CYS   4           HB1      CYS   4  10.753   6.903  -1.045
    3    HB2  CYS   4           HG2      CYS   4  12.463   6.880  -3.532
    4    HB3  CYS   4           HG3      CYS   4  10.706   6.779  -3.581

  No H/Q in entry =           4
  In of MODEL   39
    1    H    THR   5           H        THR   5   9.808   5.063  -0.469
    2    HG1  THR   5          HG21      THR   5   9.831   3.095   2.085
    3   HG21  THR   5          HG22      THR   5   9.919   0.540   0.037
    4   HG22  THR   5          HG23      THR   5   8.687   0.869   1.256
    5   HG23  THR   5           HXT      THR   5   8.273   0.933  -0.457
    6    HA   THR   5           HB1      THR   5  10.910   2.504  -1.279
    7    HB   THR   5          HG12      THR   5   8.505   3.166   0.431

  No H/Q in entry =           7
  In of MODEL   39
    1    H    THR   6           H        THR   6  10.414   1.722  -3.215
    2    HG1  THR   6          HG21      THR   6  10.342  -0.343  -4.493
    3   HG21  THR   6          HG22      THR   6   9.522   3.099  -6.270
    4   HG22  THR   6          HG23      THR   6  11.077   2.273  -6.356
    5   HG23  THR   6           HXT      THR   6   9.791   1.853  -7.487
    6    HA   THR   6           HB1      THR   6   8.171   2.587  -4.730
    7    HB   THR   6          HG12      THR   6   8.913   0.399  -6.073

  No H/Q in entry =           7
  In of MODEL   39
    1    H    GLY   7           H        GLY   7   6.215   1.644  -5.095
    2    HA2  GLY   7           HA3      GLY   7   5.111  -0.015  -3.114
    3    HA3  GLY   7           HXT      GLY   7   5.526  -1.012  -4.500

  No H/Q in entry =           3
  In of MODEL   39
    1    HB2  PRO   8           HG2      PRO   8  -0.068  -1.458  -5.401
    2    HB3  PRO   8           HG3      PRO   8   1.140  -2.084  -6.528
    3    HG2  PRO   8           HD2      PRO   8   1.134  -2.138  -3.536
    4    HD2  PRO   8           HD3      PRO   8   3.427  -1.909  -3.407
    5    HG3  PRO   8           HD3      PRO   8   1.584  -3.418  -4.677
    6    HD3  PRO   8           HXT      PRO   8   3.677  -2.517  -5.057
    7    HA   PRO   8           HB1      PRO   8   1.820   0.105  -6.593

  No H/Q in entry =           7
  In of MODEL   39
    1    H    CYS   9           H        CYS   9   1.806   0.285  -3.098
    2    HA   CYS   9           HB1      CYS   9  -0.468   2.139  -3.168
    3    HB2  CYS   9           HG2      CYS   9  -0.525   0.198  -1.581
    4    HB3  CYS   9           HG3      CYS   9   0.858   0.901  -0.749

  No H/Q in entry =           4
  In of MODEL   39
    1    H    CYS  10           H        CYS  10   2.079   2.967  -4.151
    2    HA   CYS  10           HB1      CYS  10   2.418   5.344  -2.573
    3    HB2  CYS  10           HG2      CYS  10   3.974   3.280  -1.756
    4    HB3  CYS  10           HG3      CYS  10   5.017   3.997  -2.979

  No H/Q in entry =           4
  In of MODEL   39
    1    H    ARG  11           H        ARG  11   2.144   6.707  -4.234
    2    HB2  ARG  11           HG2      ARG  11   1.914   8.546  -5.355
    3    HB3  ARG  11           HG3      ARG  11   2.777   8.920  -6.840
    4    HG2  ARG  11           HD2      ARG  11   0.366   8.722  -7.197
    5    HD2  ARG  11           HD3      ARG  11   0.695   5.798  -6.562
    6    HG3  ARG  11           HD3      ARG  11   1.271   7.512  -8.109
    7    HE   ARG  11          HH12      ARG  11  -1.930   6.927  -6.584
    8   HH11  ARG  11          HH21      ARG  11   0.589   5.614  -8.611
    9   HH12  ARG  11          HH22      ARG  11  -0.501   5.124  -9.864
   10    HD3  ARG  11           HXT      ARG  11   0.033   6.967  -5.420
   11   HH21  ARG  11           HXT      ARG  11  -3.366   6.283  -8.231
   12   HH22  ARG  11           H1       ARG  11  -2.747   5.504  -9.649
   13    HA   ARG  11           HB1      ARG  11   2.979   6.236  -6.882

  No H/Q in entry =          13
  In of MODEL   39
    1    H    GLN  12           H        GLN  12   5.172   5.555  -6.643
    2    HB2  GLN  12           HG2      GLN  12   6.936   8.869  -6.720
    3    HB3  GLN  12           HG3      GLN  12   8.241   8.034  -7.551
    4   HE21  GLN  12          HE22      GLN  12   6.629  10.519  -9.048
    5   HE22  GLN  12           HXT      GLN  12   7.622  10.517 -10.462
    6    HA   GLN  12           HB1      GLN  12   7.403   5.904  -6.940
    7    HG2  GLN  12           HD2      GLN  12   6.159   7.046  -8.908
    8    HG3  GLN  12           HD3      GLN  12   5.484   8.603  -8.431

  No H/Q in entry =           8
  In of MODEL   39
    1    H    CYS  13           H        CYS  13   6.381   8.556  -4.809
    2    HA   CYS  13           HB1      CYS  13   8.031   7.379  -2.679
    3    HB2  CYS  13           HG2      CYS  13   8.898   9.529  -4.024
    4    HB3  CYS  13           HG3      CYS  13   7.894  10.341  -2.827

  No H/Q in entry =           4
  In of MODEL   39
    1    H    LYS  14           H        LYS  14   5.266   9.355  -3.565
    2    HB2  LYS  14           HG2      LYS  14   2.740  10.122  -3.319
    3    HB3  LYS  14           HG3      LYS  14   2.557  10.932  -1.769
    4    HG2  LYS  14           HG3      LYS  14   4.621  12.162  -2.151
    5    HG3  LYS  14           HD2      LYS  14   4.841  11.331  -3.692
    6    HD2  LYS  14           HD3      LYS  14   2.412  12.989  -3.042
    7    HE2  LYS  14           HE3      LYS  14   3.405  12.626  -5.794
    8    HE3  LYS  14           HZ1      LYS  14   2.747  11.186  -5.018
    9    HZ1  LYS  14           HZ2      LYS  14   1.297  13.769  -5.109
   10    HZ2  LYS  14           HZ3      LYS  14   1.119  12.575  -6.293
   11    HD3  LYS  14           HXT      LYS  14   3.849  13.647  -3.827
   12    HZ3  LYS  14           HXT      LYS  14   0.682  12.249  -4.692
   13    HA   LYS  14           HB1      LYS  14   4.438   9.800  -0.850

  No H/Q in entry =          13
  In of MODEL   39
    1    H    LEU  15           H        LEU  15   3.170   8.563   0.379
    2   HD11  LEU  15          HD12      LEU  15   2.662   5.676   3.905
    3   HD12  LEU  15          HD13      LEU  15   2.748   7.294   4.600
    4   HD13  LEU  15          HD21      LEU  15   1.237   6.714   3.901
    5   HD21  LEU  15          HD22      LEU  15   4.598   7.580   1.483
    6   HD22  LEU  15          HD23      LEU  15   4.267   8.694   2.809
    7   HD23  LEU  15           HXT      LEU  15   4.736   7.029   3.152
    8    HG   LEU  15           HXT      LEU  15   2.127   8.133   2.270
    9    HA   LEU  15           HB1      LEU  15   2.162   6.067  -0.755
   10    HB2  LEU  15           HG2      LEU  15   1.705   5.544   1.694
   11    HB3  LEU  15           HG3      LEU  15   3.383   5.668   1.201

  No H/Q in entry =          11
  In of MODEL   39
    1    H    LYS  16           H        LYS  16   0.011   5.355  -0.431
    2    HB2  LYS  16           HG2      LYS  16  -2.397   4.465  -0.065
    3    HB3  LYS  16           HG3      LYS  16  -3.557   5.549  -0.820
    4    HG2  LYS  16           HG3      LYS  16  -0.999   5.173  -2.242
    5    HG3  LYS  16           HD2      LYS  16  -2.087   3.784  -2.184
    6    HD2  LYS  16           HD3      LYS  16  -3.867   5.076  -3.167
    7    HE2  LYS  16           HE3      LYS  16  -1.585   5.935  -4.863
    8    HE3  LYS  16           HZ1      LYS  16  -1.782   4.211  -4.553
    9    HZ1  LYS  16           HZ2      LYS  16  -4.111   4.455  -5.340
   10    HZ2  LYS  16           HZ3      LYS  16  -3.753   6.042  -5.803
   11    HD3  LYS  16           HXT      LYS  16  -2.893   6.546  -3.091
   12    HZ3  LYS  16           HXT      LYS  16  -2.951   4.745  -6.535
   13    HA   LYS  16           HB1      LYS  16  -1.948   7.361  -0.804

  No H/Q in entry =          13
  In of MODEL   39
    1    HB2  PRO  17           HG2      PRO  17  -6.060   7.889   2.412
    2    HB3  PRO  17           HG3      PRO  17  -5.387   9.412   3.002
    3    HG2  PRO  17           HD2      PRO  17  -6.017   9.099   0.430
    4    HD2  PRO  17           HD3      PRO  17  -4.777   7.245  -0.181
    5    HG3  PRO  17           HD3      PRO  17  -4.581  10.019   0.917
    6    HD3  PRO  17           HXT      PRO  17  -3.558   8.499  -0.491
    7    HA   PRO  17           HB1      PRO  17  -3.278   8.542   3.217

  No H/Q in entry =           7
  In of MODEL   39
    1    H    ALA  18           H        ALA  18  -3.696   7.646   5.188
    2    HA   ALA  18           HB1      ALA  18  -3.625   4.853   5.472
    3    HB1  ALA  18           HB2      ALA  18  -4.039   7.143   7.330
    4    HB2  ALA  18           HB3      ALA  18  -2.771   5.918   7.312
    5    HB3  ALA  18           HXT      ALA  18  -4.383   5.511   7.903

  No H/Q in entry =           5
  In of MODEL   39
    1    H    GLY  19           H        GLY  19  -5.224   3.564   4.801
    2    HA2  GLY  19           HA3      GLY  19  -7.974   4.250   5.640
    3    HA3  GLY  19           HXT      GLY  19  -7.355   2.607   5.573

  No H/Q in entry =           3
  In of MODEL   39
    1    H    THR  20           H        THR  20  -5.944   3.225   3.005
    2    HG1  THR  20          HG21      THR  20  -6.419   5.888   1.624
    3   HG21  THR  20          HG22      THR  20  -6.717   3.275  -1.355
    4   HG22  THR  20          HG23      THR  20  -8.069   4.367  -1.060
    5   HG23  THR  20           HXT      THR  20  -6.484   5.019  -1.473
    6    HA   THR  20           HB1      THR  20  -8.312   3.161   1.252
    7    HB   THR  20          HG12      THR  20  -5.565   4.248   0.599

  No H/Q in entry =           7
  In of MODEL   39
    1    H    THR  21           H        THR  21  -8.386   1.612  -0.338
    2    HG1  THR  21          HG21      THR  21  -9.531  -0.131   0.308
    3   HG21  THR  21          HG22      THR  21  -7.815  -2.414   0.138
    4   HG22  THR  21          HG23      THR  21  -9.468  -2.563  -0.458
    5   HG23  THR  21           HXT      THR  21  -8.111  -2.908  -1.529
    6    HA   THR  21           HB1      THR  21  -6.677  -0.679   0.062
    7    HB   THR  21          HG12      THR  21  -8.477  -0.811  -2.233

  No H/Q in entry =           7
  In of MODEL   39
    1    H    CYS  22           H        CYS  22  -5.145  -1.475  -1.301
    2    HA   CYS  22           HB1      CYS  22  -4.447   0.214  -3.612
    3    HB2  CYS  22           HG2      CYS  22  -2.119  -0.789  -3.267
    4    HB3  CYS  22           HG3      CYS  22  -2.666   0.383  -2.073

  No H/Q in entry =           4
  In of MODEL   39
    1    H    TRP  23           H        TRP  23  -4.776  -3.083  -2.428
    2    HE1  TRP  23           HE3      TRP  23  -1.713  -7.064  -7.111
    3    HE3  TRP  23           HZ2      TRP  23  -4.176  -8.412  -2.561
    4    HZ2  TRP  23           HZ3      TRP  23  -1.625  -9.839  -6.600
    5    HZ3  TRP  23           HH2      TRP  23  -3.623 -10.777  -2.949
    6    HH2  TRP  23           HXT      TRP  23  -2.374 -11.475  -4.928
    7    HA   TRP  23           HB1      TRP  23  -4.372  -4.097  -5.155
    8    HB2  TRP  23           HG2      TRP  23  -3.294  -5.010  -2.843
    9    HB3  TRP  23           HG3      TRP  23  -4.736  -6.015  -2.933
   10    HD1  TRP  23           HD2      TRP  23  -2.656  -4.944  -5.997

  No H/Q in entry =          10
  In of MODEL   39
    1    H    LYS  24           H        LYS  24  -5.766  -6.312  -5.329
    2    HB2  LYS  24           HG2      LYS  24  -8.225  -4.235  -5.856
    3    HB3  LYS  24           HG3      LYS  24  -8.646  -5.454  -7.051
    4    HG2  LYS  24           HG3      LYS  24 -10.648  -6.015  -5.885
    5    HG3  LYS  24           HD2      LYS  24 -10.186  -5.017  -4.504
    6    HD2  LYS  24           HD3      LYS  24 -10.678  -3.052  -5.586
    7    HE2  LYS  24           HE3      LYS  24 -12.470  -5.127  -6.824
    8    HE3  LYS  24           HZ1      LYS  24 -12.783  -4.136  -5.399
    9    HZ1  LYS  24           HZ2      LYS  24 -12.407  -2.241  -7.206
   10    HZ2  LYS  24           HZ3      LYS  24 -13.006  -3.455  -8.220
   11    HD3  LYS  24           HXT      LYS  24 -10.394  -3.738  -7.187
   12    HZ3  LYS  24           HXT      LYS  24 -13.924  -2.926  -6.902
   13    HA   LYS  24           HB1      LYS  24  -8.342  -6.394  -4.255

  No H/Q in entry =          13
  In of MODEL   39
    1    H    THR  25           H        THR  25  -6.344  -6.972  -7.091
    2    HG1  THR  25          HG21      THR  25  -6.538 -10.097  -9.955
    3   HG21  THR  25          HG22      THR  25  -4.447  -8.771  -7.028
    4   HG22  THR  25          HG23      THR  25  -3.684  -9.368  -8.502
    5   HG23  THR  25           HXT      THR  25  -3.987  -7.643  -8.303
    6    HA   THR  25           HB1      THR  25  -7.791  -9.062  -8.242
    7    HB   THR  25          HG12      THR  25  -5.909  -7.933  -9.353

  No H/Q in entry =           7
  In of MODEL   39
    1    H    SER  26           H        SER  26  -6.824 -11.365  -8.393
    2    HG   SER  26           HXT      SER  26  -5.014 -14.512  -6.000
    3    HA   SER  26           HB1      SER  26  -6.460 -13.381  -7.408
    4    HB2  SER  26           HG2      SER  26  -4.308 -12.345  -6.731
    5    HB3  SER  26           HG3      SER  26  -5.070 -11.785  -5.243

  No H/Q in entry =           5
  In of MODEL   39
    1    H    VAL  27           H        VAL  27  -8.725 -11.454  -6.555
    2    HB   VAL  27          HG12      VAL  27  -9.474 -14.199  -4.131
    3   HG11  VAL  27          HG12      VAL  27 -11.772 -12.826  -3.539
    4   HG12  VAL  27          HG13      VAL  27 -12.329 -14.020  -4.711
    5   HG13  VAL  27          HG21      VAL  27 -11.499 -14.544  -3.247
    6   HG21  VAL  27          HG22      VAL  27 -10.733 -13.702  -6.804
    7   HG22  VAL  27          HG23      VAL  27  -9.295 -14.643  -6.408
    8   HG23  VAL  27           HXT      VAL  27 -10.895 -15.266  -6.004
    9    HA   VAL  27           HB1      VAL  27 -10.611 -11.659  -5.293

  No H/Q in entry =           9
  In of MODEL   39
    1    H    SER  28           H        SER  28  -8.195 -10.321  -4.360
    2    HG   SER  28           HXT      SER  28  -5.080 -10.181  -1.618
    3    HA   SER  28           HB1      SER  28  -8.963 -10.058  -1.573
    4    HB2  SER  28           HG2      SER  28  -6.879 -10.550  -0.610
    5    HB3  SER  28           HG3      SER  28  -7.093 -11.832  -1.802

  No H/Q in entry =           5
  In of MODEL   39
    1    H    SER  29           H        SER  29  -8.811  -8.004  -0.883
    2    HG   SER  29           HXT      SER  29 -11.005  -5.829  -2.837
    3    HA   SER  29           HB1      SER  29  -7.249  -6.115  -2.518
    4    HB2  SER  29           HG2      SER  29  -9.668  -5.082  -1.151
    5    HB3  SER  29           HG3      SER  29  -9.003  -4.672  -2.732

  No H/Q in entry =           5
  In of MODEL   39
    1    H    HIS  30           H        HIS  30  -5.539  -6.313  -0.993
    2    HD1  HIS  30           HD2      HIS  30  -2.011  -7.024   2.511
    3    HD2  HIS  30           HE1      HIS  30  -4.921  -8.385  -0.124
    4    HE1  HIS  30           HE2      HIS  30  -1.896  -9.534   2.620
    5    HE2  HIS  30           HXT      HIS  30  -3.606 -10.334   0.952
    6    HA   HIS  30           HB1      HIS  30  -5.781  -5.923   1.766
    7    HB2  HIS  30           HG2      HIS  30  -3.508  -5.528  -0.165
    8    HB3  HIS  30           HG3      HIS  30  -3.323  -5.163   1.547

  No H/Q in entry =           8
  In of MODEL   39
    1    H    TYR  31           H        TYR  31  -5.347  -4.104   3.082
    2    HD1  TYR  31           HD2      TYR  31  -7.893  -3.391   2.029
    3    HD2  TYR  31           HE1      TYR  31  -8.536  -0.254   4.830
    4    HE1  TYR  31           HE2      TYR  31 -10.269  -3.327   1.402
    5    HE2  TYR  31           HH       TYR  31 -10.914  -0.181   4.211
    6    HH   TYR  31           HXT      TYR  31 -12.219  -0.980   1.818
    7    HA   TYR  31           HB1      TYR  31  -6.072  -1.564   1.802
    8    HB2  TYR  31           HG2      TYR  31  -6.445  -2.692   4.543
    9    HB3  TYR  31           HG3      TYR  31  -6.345  -0.944   4.359

  No H/Q in entry =           9
  In of MODEL   39
    1    H    CYS  32           H        CYS  32  -5.134   0.404   3.028
    2    HA   CYS  32           HB1      CYS  32  -2.274  -0.070   3.555
    3    HB2  CYS  32           HG2      CYS  32  -3.437   1.431   1.449
    4    HB3  CYS  32           HG3      CYS  32  -2.706   2.585   2.560

  No H/Q in entry =           4
  In of MODEL   39
    1    H    THR  33           H        THR  33  -1.588   0.635   5.466
    2    HG1  THR  33          HG21      THR  33  -1.887   1.165   9.996
    3   HG21  THR  33          HG22      THR  33  -0.004   1.123   7.181
    4   HG22  THR  33          HG23      THR  33  -0.042   0.698   8.892
    5   HG23  THR  33           HXT      THR  33  -0.560  -0.474   7.681
    6    HA   THR  33           HB1      THR  33  -3.352   2.366   7.032
    7    HB   THR  33          HG12      THR  33  -2.622   0.248   8.050

  No H/Q in entry =           7
  In of MODEL   39
    1    H    GLY  34           H        GLY  34  -1.406   3.213   4.837
    2    HA2  GLY  34           HA3      GLY  34  -0.694   5.696   5.813
    3    HA3  GLY  34           HXT      GLY  34   0.081   4.918   4.442

  No H/Q in entry =           3
  In of MODEL   39
    1    H    ARG  35           H        ARG  35   0.994   2.672   6.185
    2    HB2  ARG  35           HG2      ARG  35   1.904   1.244   7.764
    3    HB3  ARG  35           HG3      ARG  35   3.464   1.561   8.511
    4    HG2  ARG  35           HD2      ARG  35   0.816   2.750   9.308
    5    HD2  ARG  35           HD3      ARG  35   3.594   3.484   9.939
    6    HG3  ARG  35           HD3      ARG  35   1.740   1.532  10.190
    7    HE   ARG  35          HH12      ARG  35   1.896   3.876  12.223
    8   HH11  ARG  35          HH21      ARG  35   4.250   1.771  10.737
    9   HH12  ARG  35          HH22      ARG  35   4.750   1.065  12.237
   10    HD3  ARG  35           HXT      ARG  35   2.120   4.448  10.016
   11   HH21  ARG  35           HXT      ARG  35   2.552   2.948  14.197
   12   HH22  ARG  35           H1       ARG  35   3.786   1.732  14.201
   13    HA   ARG  35           HB1      ARG  35   2.967   4.044   7.860

  No H/Q in entry =          13
  In of MODEL   39
    1    H    SER  36           H        SER  36   2.678   1.931   5.077
    2    HG   SER  36           HXT      SER  36   6.716  -0.455   5.175
    3    HA   SER  36           HB1      SER  36   5.482   2.477   4.438
    4    HB2  SER  36           HG2      SER  36   4.256  -0.197   4.888
    5    HB3  SER  36           HG3      SER  36   5.386  -0.045   3.543

  No H/Q in entry =           5
  In of MODEL   39
    1    H    CYS  37           H        CYS  37   6.005   2.092   2.167
    2    HA   CYS  37           HB1      CYS  37   3.950   3.081   0.456
    3    HB2  CYS  37           HG2      CYS  37   6.799   2.229   0.064
    4    HB3  CYS  37           HG3      CYS  37   5.776   2.545  -1.332

  No H/Q in entry =           4
  In of MODEL   39
    1    H    GLU  38           H        GLU  38   5.173  -0.073   1.233
    2    HB2  GLU  38           HG2      GLU  38   5.484  -2.611   1.079
    3    HB3  GLU  38           HG3      GLU  38   4.878  -3.351  -0.397
    4    HA   GLU  38           HB1      GLU  38   3.759  -1.287  -1.021
    5    HG2  GLU  38           HD2      GLU  38   6.176  -1.463  -1.592
    6    HG3  GLU  38           HD3      GLU  38   7.026  -1.304  -0.055

  No H/Q in entry =           6
  In of MODEL   39
    1    H    CYS  39           H        CYS  39   1.990  -2.584  -0.804
    2    HA   CYS  39           HB1      CYS  39   0.268  -2.186   1.365
    3    HB2  CYS  39           HG2      CYS  39   0.166  -4.500  -0.575
    4    HB3  CYS  39           HG3      CYS  39  -1.176  -3.819   0.338

  No H/Q in entry =           4
  In of MODEL   39
    1    HB2  PRO  40           HG2      PRO  40  -0.662  -5.599   5.697
    2    HB3  PRO  40           HG3      PRO  40   0.215  -4.071   5.833
    3    HG2  PRO  40           HD2      PRO  40  -2.181  -4.738   4.165
    4    HD2  PRO  40           HD3      PRO  40  -1.521  -3.354   2.448
    5    HG3  PRO  40           HD3      PRO  40  -1.864  -3.290   5.139
    6    HD3  PRO  40           HXT      PRO  40  -0.533  -2.339   3.518
    7    HA   PRO  40           HB1      PRO  40   1.645  -5.119   4.365

  No H/Q in entry =           7
  In of MODEL   39
    1    H    SER  41           H        SER  41   0.921  -7.307   5.343
    2    HG   SER  41           HXT      SER  41   2.603 -10.825   3.276
    3    HA   SER  41           HB1      SER  41   0.092  -9.033   3.112
    4    HB2  SER  41           HG2      SER  41   2.010  -9.366   5.370
    5    HB3  SER  41           HG3      SER  41   1.163 -10.802   4.796

  No H/Q in entry =           5
  In of MODEL   39
    1    H    TYR  42           H        TYR  42  -1.846  -7.672   4.685
    2    HD1  TYR  42           HD2      TYR  42  -0.466  -8.114   7.557
    3    HD2  TYR  42           HE1      TYR  42  -3.825 -10.342   8.917
    4    HE1  TYR  42           HE2      TYR  42   0.996  -9.376   9.078
    5    HE2  TYR  42           HH       TYR  42  -2.373 -11.611  10.443
    6    HH   TYR  42           HXT      TYR  42   0.306 -10.801  11.533
    7    HA   TYR  42           HB1      TYR  42  -3.237  -9.993   5.813
    8    HB2  TYR  42           HG2      TYR  42  -2.790  -7.340   7.167
    9    HB3  TYR  42           HG3      TYR  42  -4.145  -8.378   7.598

  No H/Q in entry =           9
  In of MODEL   39
    1    HB2  PRO  43           HG2      PRO  43  -8.744  -9.444   4.887
    2    HB3  PRO  43           HG3      PRO  43  -7.703 -10.500   3.925
    3    HG2  PRO  43           HD2      PRO  43  -7.645  -9.953   6.868
    4    HD2  PRO  43           HD3      PRO  43  -5.350 -10.130   6.976
    5    HG3  PRO  43           HD3      PRO  43  -7.479 -11.499   6.014
    6    HD3  PRO  43           HXT      PRO  43  -5.261 -11.124   5.508
    7    HA   PRO  43           HB1      PRO  43  -6.646  -8.517   3.438

  No H/Q in entry =           7
  In of MODEL   39
    1    H    GLY  44           H        GLY  44  -6.495  -7.741   6.852
    2    HA2  GLY  44           HA3      GLY  44  -8.473  -5.611   6.551
    3    HA3  GLY  44           HXT      GLY  44  -6.821  -5.121   6.891

  No H/Q in entry =           3
  In of MODEL   40
    1    H1   ALA   1           H1       ALA   1  17.726  14.364   1.623
    2    H2   ALA   1           H2       ALA   1  17.693  14.191   3.331
    3    H3   ALA   1           H3       ALA   1  19.193  14.318   2.512
    4    HA   ALA   1           HB1      ALA   1  18.805  12.264   1.406
    5    HB1  ALA   1           HB2      ALA   1  18.788  12.438   4.379
    6    HB2  ALA   1           HB3      ALA   1  18.655  10.853   3.616
    7    HB3  ALA   1           HXT      ALA   1  20.054  11.876   3.287

  No H/Q in entry =           7
  In of MODEL   40
    1    H    MET   2           H        MET   2  17.235  11.275   0.338
    2    HB2  MET   2           HG2      MET   2  13.481  11.147  -0.321
    3    HB3  MET   2           HG3      MET   2  14.083  12.506   0.618
    4    HE1  MET   2           HE2      MET   2  15.162  11.719  -3.876
    5    HE2  MET   2           HE3      MET   2  13.443  11.329  -3.917
    6    HE3  MET   2           HXT      MET   2  14.037  12.783  -4.720
    7    HA   MET   2           HB1      MET   2  14.782  10.552   1.767
    8    HG2  MET   2           HD2      MET   2  15.818  12.927  -0.937
    9    HG3  MET   2           HD3      MET   2  15.521  11.407  -1.778

  No H/Q in entry =           9
  In of MODEL   40
    1    H    ASP   3           H        ASP   3  14.002   8.566   1.276
    2    HA   ASP   3           HB1      ASP   3  15.500   7.028  -0.734
    3    HB2  ASP   3           HG2      ASP   3  14.033   6.175   1.763
    4    HB3  ASP   3           HG3      ASP   3  14.600   5.029   0.551

  No H/Q in entry =           4
  In of MODEL   40
    1    H    CYS   4           H        CYS   4  12.264   7.780   0.441
    2    HA   CYS   4           HB1      CYS   4  10.208   7.603  -0.513
    3    HB2  CYS   4           HG2      CYS   4  12.006   7.670  -2.908
    4    HB3  CYS   4           HG3      CYS   4  10.287   7.356  -3.125

  No H/Q in entry =           4
  In of MODEL   40
    1    H    THR   5           H        THR   5   9.086   5.843  -0.026
    2    HG1  THR   5          HG21      THR   5   7.070   5.025   0.014
    3   HG21  THR   5          HG22      THR   5   9.978   2.971   1.556
    4   HG22  THR   5          HG23      THR   5   8.770   3.808   2.531
    5   HG23  THR   5           HXT      THR   5   8.528   2.119   2.086
    6    HA   THR   5           HB1      THR   5  10.035   3.202  -0.572
    7    HB   THR   5          HG12      THR   5   7.548   2.701   0.196

  No H/Q in entry =           7
  In of MODEL   40
    1    H    THR   6           H        THR   6   9.449   1.791  -2.141
    2    HG1  THR   6          HG21      THR   6  10.756   0.250  -4.896
    3   HG21  THR   6          HG22      THR   6   9.894   3.633  -4.775
    4   HG22  THR   6          HG23      THR   6  11.161   2.537  -5.329
    5   HG23  THR   6           HXT      THR   6   9.817   2.944  -6.397
    6    HA   THR   6           HB1      THR   6   7.686   2.833  -4.254
    7    HB   THR   6          HG12      THR   6   8.870   1.072  -5.675

  No H/Q in entry =           7
  In of MODEL   40
    1    H    GLY   7           H        GLY   7   6.043   1.575  -5.089
    2    HA2  GLY   7           HA3      GLY   7   5.141  -0.574  -3.337
    3    HA3  GLY   7           HXT      GLY   7   5.445  -1.012  -5.012

  No H/Q in entry =           3
  In of MODEL   40
    1    HB2  PRO   8           HG2      PRO   8  -0.380  -1.367  -4.419
    2    HB3  PRO   8           HG3      PRO   8   0.558  -2.016  -5.769
    3    HG2  PRO   8           HD2      PRO   8   1.132  -2.135  -2.833
    4    HD2  PRO   8           HD3      PRO   8   3.411  -1.991  -3.152
    5    HG3  PRO   8           HD3      PRO   8   1.291  -3.409  -4.057
    6    HD3  PRO   8           HXT      PRO   8   3.314  -2.603  -4.815
    7    HA   PRO   8           HB1      PRO   8   1.289   0.157  -5.924

  No H/Q in entry =           7
  In of MODEL   40
    1    H    CYS   9           H        CYS   9   1.821   0.009  -2.433
    2    HA   CYS   9           HB1      CYS   9  -0.365   1.703  -1.750
    3    HB2  CYS   9           HG2      CYS   9   0.602   0.137  -0.133
    4    HB3  CYS   9           HG3      CYS   9   2.129   1.010  -0.184

  No H/Q in entry =           4
  In of MODEL   40
    1    H    CYS  10           H        CYS  10   2.979   2.231  -2.611
    2    HA   CYS  10           HB1      CYS  10   2.832   5.055  -1.906
    3    HB2  CYS  10           HG2      CYS  10   5.128   3.586  -3.209
    4    HB3  CYS  10           HG3      CYS  10   5.181   5.148  -2.399

  No H/Q in entry =           4
  In of MODEL   40
    1    H    ARG  11           H        ARG  11   2.076   6.494  -3.296
    2    HB2  ARG  11           HG2      ARG  11   0.348   7.739  -4.654
    3    HB3  ARG  11           HG3      ARG  11   1.874   8.611  -4.646
    4    HG2  ARG  11           HD2      ARG  11   0.981   9.684  -6.399
    5    HD2  ARG  11           HD3      ARG  11  -0.623   8.177  -7.971
    6    HG3  ARG  11           HD3      ARG  11   1.523   8.266  -7.300
    7    HE   ARG  11          HH12      ARG  11  -1.166  10.027  -5.840
    8   HH11  ARG  11          HH21      ARG  11  -2.590   7.944  -8.251
    9   HH12  ARG  11          HH22      ARG  11  -4.076   8.830  -8.319
   10    HD3  ARG  11           HXT      ARG  11  -0.877   7.401  -6.408
   11   HH21  ARG  11           HXT      ARG  11  -3.120  11.193  -5.927
   12   HH22  ARG  11           H1       ARG  11  -4.377  10.675  -7.000
   13    HA   ARG  11           HB1      ARG  11   1.371   5.927  -5.944

  No H/Q in entry =          13
  In of MODEL   40
    1    H    GLN  12           H        GLN  12   3.791   8.378  -5.037
    2    HB2  GLN  12           HG2      GLN  12   4.610  10.189  -6.765
    3    HB3  GLN  12           HG3      GLN  12   6.073   9.807  -7.661
    4   HE21  GLN  12          HE22      GLN  12   4.571   8.339 -10.960
    5   HE22  GLN  12           HXT      GLN  12   5.232   9.724 -11.754
    6    HA   GLN  12           HB1      GLN  12   5.533   7.353  -7.169
    7    HG2  GLN  12           HD2      GLN  12   4.266   8.152  -8.839
    8    HG3  GLN  12           HD3      GLN  12   3.266   9.546  -8.434

  No H/Q in entry =           8
  In of MODEL   40
    1    H    CYS  13           H        CYS  13   5.322   7.790  -3.992
    2    HA   CYS  13           HB1      CYS  13   8.052   7.597  -3.480
    3    HB2  CYS  13           HG2      CYS  13   7.081  10.333  -3.777
    4    HB3  CYS  13           HG3      CYS  13   7.830  10.054  -2.209

  No H/Q in entry =           4
  In of MODEL   40
    1    H    LYS  14           H        LYS  14   5.355   9.376  -1.958
    2    HB2  LYS  14           HG2      LYS  14   5.055  10.537   0.049
    3    HB3  LYS  14           HG3      LYS  14   3.477   9.773   0.183
    4    HG2  LYS  14           HG3      LYS  14   3.947  10.587   2.323
    5    HG3  LYS  14           HD2      LYS  14   4.280   8.856   2.412
    6    HD2  LYS  14           HD3      LYS  14   6.566   9.166   2.512
    7    HE2  LYS  14           HE3      LYS  14   5.202  10.388   4.392
    8    HE3  LYS  14           HZ1      LYS  14   6.957  10.534   4.305
    9    HZ1  LYS  14           HZ2      LYS  14   5.244  12.492   2.924
   10    HZ2  LYS  14           HZ3      LYS  14   5.530  12.643   4.585
   11    HD3  LYS  14           HXT      LYS  14   6.489  10.745   1.727
   12    HZ3  LYS  14           HXT      LYS  14   6.825  12.674   3.498
   13    HA   LYS  14           HB1      LYS  14   5.872   8.049   0.565

  No H/Q in entry =          13
  In of MODEL   40
    1    H    LEU  15           H        LEU  15   4.184   6.950   1.766
    2   HD11  LEU  15          HD12      LEU  15   1.776   4.078   4.278
    3   HD12  LEU  15          HD13      LEU  15   3.321   4.028   5.127
    4   HD13  LEU  15          HD21      LEU  15   2.222   5.385   5.374
    5   HD21  LEU  15          HD22      LEU  15   5.257   5.471   2.753
    6   HD22  LEU  15          HD23      LEU  15   4.997   6.429   4.211
    7   HD23  LEU  15           HXT      LEU  15   5.085   4.671   4.316
    8    HG   LEU  15           HXT      LEU  15   2.857   6.420   3.482
    9    HA   LEU  15           HB1      LEU  15   2.728   5.117   0.074
   10    HB2  LEU  15           HG2      LEU  15   2.062   4.110   2.302
   11    HB3  LEU  15           HG3      LEU  15   3.771   4.092   1.911

  No H/Q in entry =          11
  In of MODEL   40
    1    H    LYS  16           H        LYS  16   0.472   4.707   0.220
    2    HB2  LYS  16           HG2      LYS  16  -1.679   4.123  -0.022
    3    HB3  LYS  16           HG3      LYS  16  -3.016   5.238   0.224
    4    HG2  LYS  16           HG3      LYS  16  -2.457   6.444  -1.770
    5    HG3  LYS  16           HD2      LYS  16  -0.981   5.499  -1.977
    6    HD2  LYS  16           HD3      LYS  16  -2.514   3.456  -2.075
    7    HE2  LYS  16           HE3      LYS  16  -1.475   4.958  -4.030
    8    HE3  LYS  16           HZ1      LYS  16  -2.483   3.544  -4.334
    9    HZ1  LYS  16           HZ2      LYS  16  -4.413   5.126  -4.371
   10    HZ2  LYS  16           HZ3      LYS  16  -3.293   6.393  -4.390
   11    HD3  LYS  16           HXT      LYS  16  -3.835   4.608  -2.281
   12    HZ3  LYS  16           HXT      LYS  16  -3.328   5.279  -5.661
   13    HA   LYS  16           HB1      LYS  16  -1.117   7.049   0.273

  No H/Q in entry =          13
  In of MODEL   40
    1    HB2  PRO  17           HG2      PRO  17  -5.357   7.113   3.384
    2    HB3  PRO  17           HG3      PRO  17  -4.710   8.471   4.312
    3    HG2  PRO  17           HD2      PRO  17  -5.226   8.729   1.714
    4    HD2  PRO  17           HD3      PRO  17  -3.990   7.040   0.743
    5    HG3  PRO  17           HD3      PRO  17  -3.796   9.488   2.439
    6    HD3  PRO  17           HXT      PRO  17  -2.720   8.279   0.797
    7    HA   PRO  17           HB1      PRO  17  -2.588   7.585   4.379

  No H/Q in entry =           7
  In of MODEL   40
    1    H    ALA  18           H        ALA  18  -3.069   6.390   6.171
    2    HA   ALA  18           HB1      ALA  18  -2.979   3.599   6.028
    3    HB1  ALA  18           HB2      ALA  18  -3.416   5.597   8.155
    4    HB2  ALA  18           HB3      ALA  18  -3.991   3.964   8.491
    5    HB3  ALA  18           HXT      ALA  18  -2.296   4.236   8.085

  No H/Q in entry =           5
  In of MODEL   40
    1    H    GLY  19           H        GLY  19  -4.490   2.306   5.212
    2    HA2  GLY  19           HA3      GLY  19  -7.286   2.764   6.016
    3    HA3  GLY  19           HXT      GLY  19  -6.606   1.211   5.554

  No H/Q in entry =           3
  In of MODEL   40
    1    H    THR  20           H        THR  20  -5.193   2.486   3.249
    2    HG1  THR  20          HG21      THR  20  -5.358   4.783   2.777
    3   HG21  THR  20          HG22      THR  20  -7.308   4.549  -0.243
    4   HG22  THR  20          HG23      THR  20  -5.811   5.438  -0.520
    5   HG23  THR  20           HXT      THR  20  -5.964   3.773  -1.080
    6    HA   THR  20           HB1      THR  20  -7.521   2.972   1.513
    7    HB   THR  20          HG12      THR  20  -4.662   3.691   0.878

  No H/Q in entry =           7
  In of MODEL   40
    1    H    THR  21           H        THR  21  -7.238   2.215  -0.766
    2    HG1  THR  21          HG21      THR  21  -8.868   1.419  -3.233
    3   HG21  THR  21          HG22      THR  21  -8.354  -1.275  -1.066
    4   HG22  THR  21          HG23      THR  21  -9.574  -0.450  -2.035
    5   HG23  THR  21           HXT      THR  21  -8.514  -1.645  -2.783
    6    HA   THR  21           HB1      THR  21  -6.435  -0.557  -0.735
    7    HB   THR  21          HG12      THR  21  -7.154   0.002  -3.336

  No H/Q in entry =           7
  In of MODEL   40
    1    H    CYS  22           H        CYS  22  -5.007  -1.518  -2.287
    2    HA   CYS  22           HB1      CYS  22  -3.238   0.166  -3.817
    3    HB2  CYS  22           HG2      CYS  22  -1.189  -0.817  -2.649
    4    HB3  CYS  22           HG3      CYS  22  -2.066   0.441  -1.785

  No H/Q in entry =           4
  In of MODEL   40
    1    H    TRP  23           H        TRP  23  -3.761  -3.069  -2.454
    2    HE1  TRP  23           HE3      TRP  23  -1.209  -8.479  -6.305
    3    HE3  TRP  23           HZ2      TRP  23  -3.331  -7.865  -1.437
    4    HZ2  TRP  23           HZ3      TRP  23  -1.757 -10.939  -5.033
    5    HZ3  TRP  23           HH2      TRP  23  -3.443 -10.308  -1.165
    6    HH2  TRP  23           HXT      TRP  23  -2.673 -11.812  -2.927
    7    HA   TRP  23           HB1      TRP  23  -2.800  -4.224  -4.984
    8    HB2  TRP  23           HG2      TRP  23  -1.636  -4.935  -2.888
    9    HB3  TRP  23           HG3      TRP  23  -3.157  -5.618  -2.324
   10    HD1  TRP  23           HD2      TRP  23  -1.439  -5.968  -5.791

  No H/Q in entry =          10
  In of MODEL   40
    1    H    LYS  24           H        LYS  24  -4.468  -4.505  -6.326
    2    HB2  LYS  24           HG2      LYS  24  -6.566  -3.691  -7.412
    3    HB3  LYS  24           HG3      LYS  24  -8.020  -4.672  -7.293
    4    HG2  LYS  24           HG3      LYS  24  -8.497  -3.792  -5.107
    5    HG3  LYS  24           HD2      LYS  24  -6.969  -2.909  -5.091
    6    HD2  LYS  24           HD3      LYS  24  -8.763  -1.389  -5.634
    7    HE2  LYS  24           HE3      LYS  24  -9.343  -3.211  -7.966
    8    HE3  LYS  24           HZ1      LYS  24 -10.352  -3.036  -6.531
    9    HZ1  LYS  24           HZ2      LYS  24  -9.665  -0.735  -8.261
   10    HZ2  LYS  24           HZ3      LYS  24 -11.016  -1.708  -8.556
   11    HD3  LYS  24           HXT      LYS  24  -7.742  -1.616  -7.055
   12    HZ3  LYS  24           HXT      LYS  24 -10.897  -0.846  -7.106
   13    HA   LYS  24           HB1      LYS  24  -6.910  -5.754  -5.246

  No H/Q in entry =          13
  In of MODEL   40
    1    H    THR  25           H        THR  25  -6.159  -7.856  -5.636
    2    HG1  THR  25          HG21      THR  25  -4.927 -10.705  -5.015
    3   HG21  THR  25          HG22      THR  25  -3.277  -8.691  -6.986
    4   HG22  THR  25          HG23      THR  25  -2.940 -10.381  -6.612
    5   HG23  THR  25           HXT      THR  25  -3.436  -9.920  -8.241
    6    HA   THR  25           HB1      THR  25  -5.529  -8.581  -8.396
    7    HB   THR  25          HG12      THR  25  -5.297 -10.913  -7.109

  No H/Q in entry =           7
  In of MODEL   40
    1    H    SER  26           H        SER  26  -6.558 -10.474  -9.360
    2    HG   SER  26           HXT      SER  26  -6.932 -12.881  -9.696
    3    HA   SER  26           HB1      SER  26  -9.352 -10.295  -9.352
    4    HB2  SER  26           HG2      SER  26  -9.125 -12.606 -10.559
    5    HB3  SER  26           HG3      SER  26  -8.478 -11.158 -11.330

  No H/Q in entry =           5
  In of MODEL   40
    1    H    VAL  27           H        VAL  27  -7.157 -12.309  -7.530
    2    HB   VAL  27          HG12      VAL  27  -6.449 -13.644  -5.390
    3   HG11  VAL  27          HG12      VAL  27  -8.221 -14.957  -4.120
    4   HG12  VAL  27          HG13      VAL  27  -8.069 -16.175  -5.387
    5   HG13  VAL  27          HG21      VAL  27  -6.675 -15.760  -4.390
    6   HG21  VAL  27          HG22      VAL  27  -7.252 -15.528  -7.606
    7   HG22  VAL  27          HG23      VAL  27  -6.215 -14.111  -7.766
    8   HG23  VAL  27           HXT      VAL  27  -5.679 -15.493  -6.810
    9    HA   VAL  27           HB1      VAL  27  -9.182 -14.112  -6.584

  No H/Q in entry =           9
  In of MODEL   40
    1    H    SER  28           H        SER  28  -7.693 -11.149  -5.451
    2    HG   SER  28           HXT      SER  28  -6.813 -11.946  -1.371
    3    HA   SER  28           HB1      SER  28  -9.808 -10.507  -3.725
    4    HB2  SER  28           HG2      SER  28  -8.810 -10.819  -1.538
    5    HB3  SER  28           HG3      SER  28  -8.831 -12.370  -2.379

  No H/Q in entry =           5
  In of MODEL   40
    1    H    SER  29           H        SER  29  -8.767  -8.837  -1.923
    2    HG   SER  29           HXT      SER  29  -8.641  -6.878  -5.033
    3    HA   SER  29           HB1      SER  29  -6.674  -7.234  -3.145
    4    HB2  SER  29           HG2      SER  29  -9.219  -5.799  -2.475
    5    HB3  SER  29           HG3      SER  29  -7.923  -5.322  -3.572

  No H/Q in entry =           5
  In of MODEL   40
    1    H    HIS  30           H        HIS  30  -5.475  -6.181  -1.663
    2    HD1  HIS  30           HD2      HIS  30  -2.482  -8.226   1.967
    3    HD2  HIS  30           HE1      HIS  30  -6.047  -8.730  -0.108
    4    HE1  HIS  30           HE2      HIS  30  -2.896 -10.706   1.934
    5    HE2  HIS  30           HXT      HIS  30  -5.013 -10.993   0.599
    6    HA   HIS  30           HB1      HIS  30  -6.391  -6.312   1.128
    7    HB2  HIS  30           HG2      HIS  30  -3.614  -6.198  -0.055
    8    HB3  HIS  30           HG3      HIS  30  -3.940  -6.038   1.667

  No H/Q in entry =           8
  In of MODEL   40
    1    H    TYR  31           H        TYR  31  -5.170  -4.534   2.494
    2    HD1  TYR  31           HD2      TYR  31  -8.056  -4.040   1.828
    3    HD2  TYR  31           HE1      TYR  31  -7.857   0.199   2.126
    4    HE1  TYR  31           HE2      TYR  31 -10.136  -3.857   0.529
    5    HE2  TYR  31           HH       TYR  31  -9.937   0.394   0.830
    6    HH   TYR  31           HXT      TYR  31 -11.227  -0.932  -0.793
    7    HA   TYR  31           HB1      TYR  31  -5.356  -1.961   1.081
    8    HB2  TYR  31           HG2      TYR  31  -6.693  -2.779   3.648
    9    HB3  TYR  31           HG3      TYR  31  -6.330  -1.089   3.316

  No H/Q in entry =           9
  In of MODEL   40
    1    H    CYS  32           H        CYS  32  -4.230  -0.193   2.162
    2    HA   CYS  32           HB1      CYS  32  -1.758  -1.146   3.374
    3    HB2  CYS  32           HG2      CYS  32  -2.110   0.664   1.444
    4    HB3  CYS  32           HG3      CYS  32  -2.213   1.746   2.828

  No H/Q in entry =           4
  In of MODEL   40
    1    H    THR  33           H        THR  33  -0.907  -0.304   5.315
    2    HG1  THR  33          HG21      THR  33   0.257  -0.684   6.887
    3   HG21  THR  33          HG22      THR  33  -3.238  -1.564   7.658
    4   HG22  THR  33          HG23      THR  33  -2.005  -2.508   8.495
    5   HG23  THR  33           HXT      THR  33  -2.850  -1.212   9.342
    6    HA   THR  33           HB1      THR  33  -2.975   0.662   7.165
    7    HB   THR  33          HG12      THR  33  -0.996  -0.054   8.823

  No H/Q in entry =           7
  In of MODEL   40
    1    H    GLY  34           H        GLY  34  -1.116   2.208   5.252
    2    HA2  GLY  34           HA3      GLY  34  -0.858   4.536   6.733
    3    HA3  GLY  34           HXT      GLY  34   0.046   4.187   5.268

  No H/Q in entry =           3
  In of MODEL   40
    1    H    ARG  35           H        ARG  35   1.235   1.776   6.685
    2    HB2  ARG  35           HG2      ARG  35   3.618   1.045   9.447
    3    HB3  ARG  35           HG3      ARG  35   2.007   1.687   9.738
    4    HG2  ARG  35           HD2      ARG  35   0.986   0.023   8.601
    5    HD2  ARG  35           HD3      ARG  35   2.451  -2.108   8.643
    6    HG3  ARG  35           HD3      ARG  35   2.301  -0.137   7.435
    7    HE   ARG  35          HH12      ARG  35   1.369  -0.658  10.863
    8   HH11  ARG  35          HH21      ARG  35   3.154  -3.511   9.941
    9   HH12  ARG  35          HH22      ARG  35   2.691  -4.408  11.348
   10    HD3  ARG  35           HXT      ARG  35   3.642  -1.078   9.436
   11   HH21  ARG  35           HXT      ARG  35   0.759  -1.835  12.714
   12   HH22  ARG  35           H1       ARG  35   1.331  -3.457  12.923
   13    HA   ARG  35           HB1      ARG  35   3.159   3.257   8.355

  No H/Q in entry =          13
  In of MODEL   40
    1    H    SER  36           H        SER  36   2.733   0.900   5.798
    2    HG   SER  36           HXT      SER  36   6.223   0.098   6.910
    3    HA   SER  36           HB1      SER  36   5.473   1.365   4.944
    4    HB2  SER  36           HG2      SER  36   4.478  -1.216   6.021
    5    HB3  SER  36           HG3      SER  36   5.465  -1.300   4.562

  No H/Q in entry =           5
  In of MODEL   40
    1    H    CYS  37           H        CYS  37   5.889   0.435   2.769
    2    HA   CYS  37           HB1      CYS  37   3.718   1.041   1.024
    3    HB2  CYS  37           HG2      CYS  37   6.376   1.174   0.725
    4    HB3  CYS  37           HG3      CYS  37   6.101  -0.396  -0.022

  No H/Q in entry =           4
  In of MODEL   40
    1    H    GLU  38           H        GLU  38   5.054  -1.885   2.351
    2    HB2  GLU  38           HG2      GLU  38   5.170  -4.012   3.142
    3    HB3  GLU  38           HG3      GLU  38   4.327  -5.355   2.383
    4    HA   GLU  38           HB1      GLU  38   3.820  -3.664   0.482
    5    HG2  GLU  38           HD2      GLU  38   6.232  -3.908   0.670
    6    HG3  GLU  38           HD3      GLU  38   6.931  -4.810   2.014

  No H/Q in entry =           6
  In of MODEL   40
    1    H    CYS  39           H        CYS  39   1.676  -3.769   0.325
    2    HA   CYS  39           HB1      CYS  39  -0.160  -3.034   2.300
    3    HB2  CYS  39           HG2      CYS  39  -0.694  -5.006   0.078
    4    HB3  CYS  39           HG3      CYS  39  -1.855  -3.952   0.877

  No H/Q in entry =           4
  In of MODEL   40
    1    HB2  PRO  40           HG2      PRO  40  -1.994  -5.372   6.214
    2    HB3  PRO  40           HG3      PRO  40  -0.504  -5.850   7.037
    3    HG2  PRO  40           HD2      PRO  40  -1.048  -3.282   6.608
    4    HD2  PRO  40           HD3      PRO  40  -1.365  -3.161   4.327
    5    HG3  PRO  40           HD3      PRO  40   0.606  -3.901   6.442
    6    HD3  PRO  40           HXT      PRO  40   0.400  -2.974   4.342
    7    HA   PRO  40           HB1      PRO  40   0.509  -6.536   5.086

  No H/Q in entry =           7
  In of MODEL   40
    1    H    SER  41           H        SER  41  -0.949  -8.298   5.927
    2    HG   SER  41           HXT      SER  41  -2.173 -12.443   4.311
    3    HA   SER  41           HB1      SER  41  -2.809  -9.087   3.798
    4    HB2  SER  41           HG2      SER  41  -0.753 -10.511   4.605
    5    HB3  SER  41           HG3      SER  41  -1.842 -10.979   5.911

  No H/Q in entry =           5
  In of MODEL   40
    1    H    TYR  42           H        TYR  42  -3.610  -7.225   5.827
    2    HD1  TYR  42           HD2      TYR  42  -2.115  -6.886   8.142
    3    HD2  TYR  42           HE1      TYR  42  -4.966  -9.409  10.040
    4    HE1  TYR  42           HE2      TYR  42  -0.287  -8.150   9.194
    5    HE2  TYR  42           HH       TYR  42  -3.146 -10.679  11.098
    6    HH   TYR  42           HXT      TYR  42  -0.275 -10.879  10.196
    7    HA   TYR  42           HB1      TYR  42  -5.676  -8.827   7.185
    8    HB2  TYR  42           HG2      TYR  42  -4.449  -6.265   8.222
    9    HB3  TYR  42           HG3      TYR  42  -5.631  -7.276   9.047

  No H/Q in entry =           9
  In of MODEL   40
    1    HB2  PRO  43           HG2      PRO  43  -9.789  -8.100   4.629
    2    HB3  PRO  43           HG3      PRO  43  -9.292  -7.375   3.095
    3    HG2  PRO  43           HD2      PRO  43  -8.505  -9.831   3.750
    4    HD2  PRO  43           HD3      PRO  43  -7.461  -9.548   5.787
    5    HG3  PRO  43           HD3      PRO  43  -7.404  -8.713   2.923
    6    HD3  PRO  43           HXT      PRO  43  -6.072  -9.181   4.744
    7    HA   PRO  43           HB1      PRO  43  -7.734  -6.006   4.095

  No H/Q in entry =           7
  In of MODEL   40
    1    H    GLY  44           H        GLY  44  -8.386  -4.211   5.125
    2    HA2  GLY  44           HA3      GLY  44 -10.779  -4.327   6.752
    3    HA3  GLY  44           HXT      GLY  44  -9.951  -2.874   6.213

  No H/Q in entry =           3