*HEADER    TOXIN                                   29-JAN-09   2W9U
*TITLE     SOLUTION STRUCTURE OF JERDOSTATIN MUTANT R24K FROM
*TITLE    2 TRIMERESURUS JERDONII
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: SHORT DISINTEGRIN JERDOSTATIN;
*COMPND   3 CHAIN: A;
*COMPND   4 FRAGMENT: RESIDUES 68-110;
*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 2W9U    0




! 
! KTS-jerdostatin
!

! UNAMBIGUOUS CONSTRAINTS


!A1

assign (residue 1 and name HA) (residue 2 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 1 and name HB#) (residue 2 and name HN) 6.0 6.0 0.0 ! 290806 ! changed 040407



!M2

assign (residue 2 and name HN) (residue 2 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 2 and name HN) (residue 2 and name HB#) 5.0 5.0 0.0 ! 170806

assign (residue 2 and name HA) (residue 3 and name HN) 5.0 5.0 0.0 ! 290806 ! changed 310806 ! changed 200906

assign (residue 2 and name HB#) (residue 3 and name HN) 5.0 5.0 0.0 ! 290806



!D3

assign (residue 3 and name HN) (residue 3 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 3 and name HN) (residue 3 and name HB#) 5.0 5.0 0.0 ! 170806

assign (residue 3 and name HN) (residue 4 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 3 and name HA) (residue 4 and name HN) 5.0 5.0 0.0 ! 170806 ! changed 080906 ! changed 200906

assign (residue 3 and name HB#) (residue 4 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 3 and name HA) (residue 4 and name HB#) 5.0 5.0 0.0 ! 010906



!C4

assign (residue 4 and name HN) (residue 4 and name HA) 5.0 5.0 0.0 ! 290806

assign (residue 4 and name HN) (residue 4 and name HB#) 5.0 5.0 0.0 ! 170806

assign (residue 4 and name HA) (residue 5 and name HN) 3.5 3.5 0.0 ! 170806 ! changed 080906

assign (residue 4 and name HB#) (residue 5 and name HN) 3.5 3.5 0.0 ! 170806 ! changed 080906

assign (residue 4 and name HB#) (residue 5 and name HA) 6.0 6.0 0.0 ! 050906

assign (residue 4 and name HB#) (residue 5 and name HB) 5.0 5.0 0.0 ! 050906

assign (residue 4 and name HB#) (residue 6 and name HG2#) 5.0 5.0 0.0 ! 050906

assign (residue 4 and name HA) (residue 13 and name HN) 6.0 6.0 0.0 ! 080906 ! changed 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 ! 050906



!T5

assign (residue 5 and name HN) (residue 5 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 5 and name HN) (residue 5 and name HB) 5.0 5.0 0.0 ! 170806

assign (residue 5 and name HN) (residue 5 and name HG2#) 5.0 5.0 0.0 ! 290806

assign (residue 5 and name HA) (residue 6 and name HN) 2.5 2.5 0.0 ! 170806 ! changed 310806 ! changed 200906 ! changed 260907

assign (residue 5 and name HB) (residue 6 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 5 and name HG2#) (residue 6 and name HN) 5.0 5.0 0.0 ! 290806

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 ! 010906 ! changed 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 ! 310806



!T6

assign (residue 6 and name HN) (residue 6 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 6 and name HN) (residue 6 and name HB) 5.0 5.0 0.0 ! 170806

assign (residue 6 and name HN) (residue 6 and name HG2#) 5.0 5.0 0.0 ! 290806

assign (residue 6 and name HA) (residue 7 and name HN) 2.5 2.5 0.0 ! 170806 ! changed 310806 ! changed 260907

assign (residue 6 and name HB) (residue 7 and name HN) 5.0 5.0 0.0 ! 290806

assign (residue 6 and name HG2#) (residue 7 and name HN) 5.0 5.0 0.0 ! 290806

assign (residue 6 and name HG2#) (residue 7 and name HA#) 5.0 5.0 0.0 ! 310806 ! removed 100407 ! readded 130807

assign (residue 6 and name HA) (residue 10 and name HB#) 5.0 5.0 0.0 ! 210906

assign (residue 6 and name HG2#) (residue 12 and name HA) 6.0 6.0 0.0 ! 160906

assign (residue 6 and name HG2#) (residue 13 and name HN) 6.0 6.0 0.0 ! 140906



!G7

assign (residue 7 and name HN) (residue 7 and name HA#) 5.0 5.0 0.0 ! 170806

assign (residue 7 and name HN) (residue 8 and name HD#) 5.0 5.0 0.0 ! 170806

assign (residue 7 and name HA#) (residue 8 and name HG#) 5.0 5.0 0.0 ! 190906

assign (residue 7 and name HA#) (residue 8 and name HD#) 3.5 3.5 0.0 ! 170806 ! changed 080906

assign (residue 7 and name HN) (residue 10 and name HB#) 5.0 5.0 0.0 ! 290806

assign (residue 7 and name HA#) (residue 10 and name HB#) 6.0 6.0 0.0 ! 050906

assign (residue 7 and name HN) (residue 37 and name HB#) 5.0 5.0 0.0 ! 290806

assign (residue 7 and name HA#) (residue 37 and name HB#) 5.0 5.0 0.0 ! 170806



!P8

assign (residue 8 and name HA) (residue 9 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 8 and name HB#) (residue 9 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 8 and name HG#) (residue 9 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 8 and name HD#) (residue 9 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 8 and name HB#) (residue 10 and name HN) 6.0 6.0 0.0 ! 080906 ! changed 161007

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 ! 190906 ! changed 140208

assign (residue 8 and name HB#) (residue 22 and name HB#) 5.0 5.0 0.0 ! 050906

assign (residue 8 and name HG#) (residue 22 and name HB#) 6.0 6.0 0.0 ! 050906 ! 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 HG#) (residue 23 and name HZ2) 6.0 6.0 0.0 ! 100907

assign (residue 8 and name HD#) (residue 37 and name HB#) 5.0 5.0 0.0 ! 050906

assign (residue 8 and name HD#) (residue 38 and name HA) 5.0 5.0 0.0 ! 010906

assign (residue 8 and name HG#) (residue 39 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 8 and name HD#) (residue 39 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 8 and name HG#) (residue 39 and name HA) 5.0 5.0 0.0 ! 010906

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 ! 170806

assign (residue 9 and name HN) (residue 9 and name HB#) 5.0 5.0 0.0 ! 170806

assign (residue 9 and name HN) (residue 10 and name HN) 3.5 3.5 0.0 ! 170806 ! changed 300806

assign (residue 9 and name HA) (residue 10 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 9 and name HB#) (residue 10 and name HN) 6.0 6.0 0.0 ! 170806 ! changed 110407

assign (residue 9 and name HB#) (residue 15 and name HD#) 6.0 6.0 0.0 ! 050906

assign (residue 9 and name HB#) (residue 16 and name HN) 6.0 6.0 0.0 ! 140906 ! changed 210906

assign (residue 9 and name HA) (residue 16 and name HG#) 5.0 5.0 0.0 ! 170806

assign (residue 9 and name HA) (residue 16 and name HD#) 5.0 5.0 0.0 ! 170806

assign (residue 9 and name HA) (residue 16 and name HE#) 5.0 5.0 0.0 ! 050906 ! 

assign (residue 9 and name HB#) (residue 32 and name HA) 6.0 6.0 0.0 ! 240108
 
assign (residue 9 and name HN) (residue 37 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 9 and name HN) (residue 37 and name HB#) 5.0 5.0 0.0 ! 170806

assign (residue 9 and name HB#) (residue 37 and name HN) 6.0 6.0 0.0 ! 070906

assign (residue 9 and name HB#) (residue 37 and name HA) 5.0 5.0 0.0 ! 170806 ! changed 080906 ! changed 260907

assign (residue 9 and name HN) (residue 38 and name HA) 6.0 6.0 0.0 ! 140906 ! changed 110407

assign (residue 9 and name HB#) (residue 38 and name HN) 6.0 6.0 0.0 ! 170806 ! changed 191207

assign (residue 9 and name HB#) (residue 38 and name HA) 6.0 6.0 0.0 ! 050906

assign (residue 9 and name HN) (residue 39 and name HN) 6.0 6.0 0.0 ! 290806 ! changed 161007

assign (residue 9 and name HB#) (residue 39 and name HA) 6.0 6.0 0.0 ! 010906



!C10

assign (residue 10 and name HN) (residue 10 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 10 and name HN) (residue 10 and name HB#) 5.0 5.0 0.0 ! 170806

assign (residue 10 and name HN) (residue 11 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 10 and name HA) (residue 11 and name HN) 3.5 3.5 0.0 ! 170806 ! changed 310806 ! changed 200906 ! changed 260907 ! changed 140208

assign (residue 10 and name HB#) (residue 11 and name HN) 5.0 5.0 0.0 ! 170806 ! changed 080906 ! changed 260907

assign (residue 10 and name HB#) (residue 13 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 10 and name HA) (residue 14 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 10 and name HB#) (residue 14 and name HN) 6.0 6.0 0.0 ! 170806 ! changed 300806

assign (residue 10 and name HN) (residue 15 and name HD#) 6.0 6.0 0.0 ! 290806 ! changed 300806

assign (residue 10 and name HA) (residue 15 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 10 and name HA) (residue 15 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 10 and name HA) (residue 15 and name HB#) 6.0 6.0 0.0 ! 170806 ! changed 300806

assign (residue 10 and name HA) (residue 15 and name HD#) 5.0 5.0 0.0 ! 170806

assign (residue 10 and name HB#) (residue 15 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 10 and name HB#) (residue 15 and name HB#) 6.0 6.0 0.0 ! 050906

assign (residue 10 and name HB#) (residue 15 and name HD#) 6.0 6.0 0.0 ! 170806 ! changed 300806

assign (residue 10 and name HN) (residue 16 and name HG#) 6.0 6.0 0.0 ! 170806 ! changed 300806

assign (residue 10 and name HN) (residue 16 and name HD#) 6.0 6.0 0.0 ! 170806 ! changed 170907

assign (residue 10 and name HN) (residue 16 and name HE#) 5.0 5.0 0.0 ! 080906

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 HA) 6.0 6.0 0.0 ! 010906

assign (residue 10 and name HA) (residue 16 and name HG#) 5.0 5.0 0.0 ! 170806

assign (residue 10 and name HA) (residue 16 and name HD#) 6.0 6.0 0.0 ! 010906

assign (residue 10 and name HA) (residue 16 and name HE#) 6.0 6.0 0.0 ! 050906

assign (residue 10 and name HB#) (residue 16 and name HN) 5.0 5.0 0.0 ! 290806 ! changed 110407

assign (residue 10 and name HB#) (residue 16 and name HG#) 6.0 6.0 0.0 ! 050906 ! changed 170907 ! changed 190208

assign (residue 10 and name HN) (residue 37 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 10 and name HN) (residue 37 and name HB#) 5.0 5.0 0.0 ! 170806

assign (residue 10 and name HB#) (residue 37 and name HN) 6.0 6.0 0.0 ! 070906 ! changed 191007 ! changed 190208

assign (residue 10 and name HB#) (residue 37 and name HA) 6.0 6.0 0.0 ! 180906

assign (residue 10 and name HB#) (residue 37 and name HB#) 6.0 6.0 0.0 ! 040906 ! changed 110906



!R11

assign (residue 11 and name HN) (residue 11 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 11 and name HN) (residue 11 and name HB#) 5.0 5.0 0.0 ! 170806

assign (residue 11 and name HN) (residue 11 and name HG#) 5.0 5.0 0.0 ! 170806

assign (residue 11 and name HN) (residue 11 and name HD#) 5.0 5.0 0.0 ! 170806

assign (residue 11 and name HN) (residue 12 and name HN) 6.0 6.0 0.0 ! 170806 ! changed 191007

assign (residue 11 and name HA) (residue 12 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 11 and name HB#) (residue 12 and name HN) 6.0 6.0 0.0 ! 170806 ! changed 300806

assign (residue 11 and name HG#) (residue 12 and name HN) 6.0 6.0 0.0 ! 170806 ! changed 300806

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 ! 140906

assign (residue 11 and name HN) (residue 14 and name HN) 5.0 5.0 0.0 ! 170806 ! changed 080906 ! changed 260907

assign (residue 11 and name HN) (residue 15 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 11 and name HN) (residue 15 and name HD#) 6.0 6.0 0.0 ! 170806 ! changed 120906

assign (residue 11 and name HN) (residue 16 and name HN) 5.0 5.0 0.0 ! 070906

assign (residue 11 and name HN) (residue 16 and name HG#) 5.0 5.0 0.0 ! 170806

assign (residue 11 and name HN) (residue 16 and name HE#) 5.0 5.0 0.0 ! 170806

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

assign (residue 11 and name HD#) (residue 16 and name HG#) 6.0 6.0 0.0 ! 050906 ! changed 170907 ! changed 190208



!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 ! 170806

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

assign (residue 12 and name HN) (residue 13 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 12 and name HA) (residue 13 and name HN) 3.5 3.5 0.0 ! 170806 ! changed 080906

assign (residue 12 and name HB#) (residue 13 and name HN) 3.5 3.5 0.0 ! 170806 ! changed 080906

assign (residue 12 and name HG#) (residue 13 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 12 and name HA) (residue 14 and name HN) 6.0 6.0 0.0 ! 190906

assign (residue 12 and name HB#) (residue 14 and name HN) 6.0 6.0 0.0 ! 080906



!C13

assign (residue 13 and name HN) (residue 13 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 13 and name HN) (residue 13 and name HB#) 5.0 5.0 0.0 ! 170806

assign (residue 13 and name HN) (residue 14 and name HN) 3.5 3.5 0.0 ! 170806 ! changed 080906

assign (residue 13 and name HA) (residue 14 and name HN) 5.0 5.0 0.0 ! 010906 

assign (residue 13 and name HB#) (residue 14 and name HN) 5.0 5.0 0.0 ! 170806



!K14

assign (residue 14 and name HN) (residue 14 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 14 and name HN) (residue 14 and name HB#) 5.0 5.0 0.0 ! 170806

assign (residue 14 and name HN) (residue 14 and name HG#) 5.0 5.0 0.0 ! 170806

assign (residue 14 and name HN) (residue 14 and name HD#) 6.0 6.0 0.0 ! 170806 ! changed 191007

assign (residue 14 and name HN) (residue 15 and name HA) 6.0 6.0 0.0 ! 190906 ! changed 150807

assign (residue 14 and name HN) (residue 15 and name HN) 5.0 5.0 0.0 ! 290806

assign (residue 14 and name HA) (residue 15 and name HN) 2.5 2.5 0.0 ! 170806 ! changed 310806

assign (residue 14 and name HB#) (residue 15 and name HN) 5.0 5.0 0.0 ! 170806 ! changed 080906 ! changed 190906 ! changed 260907 ! changed 140208

assign (residue 14 and name HG#) (residue 15 and name HN) 6.0 6.0 0.0 ! 170806 ! changed 300806

assign (residue 14 and name HN) (residue 16 and name HA) 6.0 6.0 0.0 ! 080906



!L15

assign (residue 15 and name HN) (residue 15 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 15 and name HN) (residue 15 and name HB#) 5.0 5.0 0.0 ! 170806

assign (residue 15 and name HN) (residue 15 and name HG) 5.0 5.0 0.0 ! 170806

assign (residue 15 and name HN) (residue 15 and name HD#) 5.0 5.0 0.0 ! 170806

assign (residue 15 and name HA) (residue 16 and name HN) 2.5 2.5 0.0 ! 170806 ! changed 310806

assign (residue 15 and name HA) (residue 16 and name HG#) 6.0 6.0 0.0 ! 050906

assign (residue 15 and name HB#) (residue 16 and name HN) 5.0 5.0 0.0 ! 290806

assign (residue 15 and name HD#) (residue 16 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 15 and name HD#) (residue 18 and name HN) 6.0 6.0 0.0 ! 290806 ! changed 300806

assign (residue 15 and name HD#) (residue 33 and name HN) 6.0 6.0 0.0 ! 310806

assign (residue 15 and name HD#) (residue 34 and name HN) 5.0 5.0 0.0 ! 290806

assign (residue 15 and name HB#) (residue 34 and name HN) 6.0 6.0 0.0 ! 050906

assign (residue 15 and name HB#) (residue 34 and name HA#) 6.0 6.0 0.0 ! 050906

assign (residue 15 and name HD#) (residue 34 and name HA#) 6.0 6.0 0.0 ! 310806

assign (residue 15 and name HB#) (residue 35 and name HN) 6.0 6.0 0.0 ! 290806 ! changed 300806

assign (residue 15 and name HD#) (residue 35 and name HN) 5.0 5.0 0.0 ! 170806

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) 5.0 5.0 0.0 ! 290806

assign (residue 15 and name HD#) (residue 36 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 15 and name HD#) (residue 36 and name HA) 5.0 5.0 0.0 ! 310806

assign (residue 15 and name HD#) (residue 36 and name HB#) 5.0 5.0 0.0 ! 170806

assign (residue 15 and name HB#) (residue 37 and name HN) 6.0 6.0 0.0 ! 290806 ! changed 300806

assign (residue 15 and name HD#) (residue 37 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 15 and name HD#) (residue 37 and name HA) 5.0 5.0 0.0 ! 220906

assign (residue 15 and name HD#) (residue 38 and name HN) 6.0 6.0 0.0 ! 290806 ! changed 191207 



!K16

assign (residue 16 and name HN) (residue 16 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 16 and name HN) (residue 16 and name HB#) 5.0 5.0 0.0 ! 170806

assign (residue 16 and name HN) (residue 16 and name HG#) 5.0 5.0 0.0 ! 170806

assign (residue 16 and name HN) (residue 16 and name HD#) 5.0 5.0 0.0 ! 170806

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 ! 170806 ! changed 300806 ! changed 260907

assign (residue 16 and name HG#) (residue 17 and name HD#) 6.0 6.0 0.0 ! 170806 ! changed 300806

assign (residue 16 and name HA) (residue 20 and name HG2#) 5.0 5.0 0.0 ! 310806

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 ! 310806

assign (residue 16 and name HE#) (residue 20 and name HG2#) 5.0 5.0 0.0 ! 170806

assign (residue 16 and name HB#) (residue 32 and name HB#) 6.0 6.0 0.0 ! 160906



!P17

assign (residue 17 and name HA) (residue 18 and name HN) 2.2 2.2 0.0 ! 170806 ! changed 310806 ! changed 260907

assign (residue 17 and name HB#) (residue 18 and name HN) 3.5 3.5 0.0 ! 170806 ! changed 080906

assign (residue 17 and name HG#) (residue 18 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 17 and name HD#) (residue 18 and name HN) 6.0 6.0 0.0 ! 170806 ! changed 300806

assign (residue 17 and name HA) (residue 18 and name HB#) 5.0 5.0 0.0 ! 310806

assign (residue 17 and name HB#) (residue 18 and name HB#) 5.0 5.0 0.0 ! 310806

assign (residue 17 and name HB#) (residue 19 and name HN) 6.0 6.0 0.0 ! 080906

assign (residue 17 and name HB#) (residue 20 and name HN) 5.0 5.0 0.0 ! 050906

assign (residue 17 and name HG#) (residue 20 and name HN) 6.0 6.0 0.0 ! 080906

assign (residue 17 and name HB#) (residue 20 and name HA) 6.0 6.0 0.0 ! 050906

assign (residue 17 and name HD#) (residue 20 and name HG2#) 5.0 5.0 0.0 ! 170806



!A18

assign (residue 18 and name HN) (residue 18 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 18 and name HN) (residue 18 and name HB#) 5.0 5.0 0.0 ! 170806

assign (residue 18 and name HN) (residue 19 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 18 and name HA) (residue 19 and name HN) 2.5 2.5 0.0 ! 170806 ! changed 310806

assign (residue 18 and name HB#) (residue 19 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 18 and name HA) (residue 19 and name HA#) 5.0 5.0 0.0 ! 010906

assign (residue 18 and name HB#) (residue 19 and name HA#) 5.0 5.0 0.0 ! 170806

assign (residue 18 and name HN) (residue 20 and name HN) 6.0 6.0 0.0 ! 170806 ! changed 300806

assign (residue 18 and name HB#) (residue 20 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 18 and name HA) (residue 20 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 18 and name HA) (residue 31 and name HB#) 6.0 6.0 0.0 ! 190906 ! changed 290108 ! changed 190208

assign (residue 18 and name HN) (residue 32 and name HB#) 6.0 6.0 0.0 ! 080906

assign (residue 18 and name HA) (residue 32 and name HN) 6.0 6.0 0.0 ! 140906 ! changed 140208

assign (residue 18 and name HN) (residue 33 and name HN) 6.0 6.0 0.0 ! 140906 ! changed 170807 ! changed 190208

assign (residue 18 and name HA) (residue 33 and name HN) 5.0 5.0 0.0 ! 060906

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 ! 160906

assign (residue 18 and name HB#) (residue 33 and name HN) 6.0 6.0 0.0 ! 120906

assign (residue 18 and name HB#) (residue 33 and name HA) 5.0 5.0 0.0 ! 310806

assign (residue 18 and name HN) (residue 34 and name HN) 5.0 5.0 0.0 ! 070906

assign (residue 18 and name HN) (residue 34 and name HA#) 5.0 5.0 0.0 ! 170806 ! changed 080906

assign (residue 18 and name HA) (residue 34 and name HA#) 5.0 5.0 0.0 ! 010906

assign (residue 18 and name HB#) (residue 34 and name HN) 5.0 5.0 0.0 ! 070906

assign (residue 18 and name HB#) (residue 34 and name HA#) 5.0 5.0 0.0 ! 170806

assign (residue 18 and name HN) (residue 35 and name HN) 6.0 6.0 0.0 ! 070906 ! changed 200807 ! changed 190208

assign (residue 18 and name HB#) (residue 35 and name HN) 6.0 6.0 0.0 ! 310806



!G19

assign (residue 19 and name HN) (residue 19 and name HA#) 5.0 5.0 0.0 ! 170806

assign (residue 19 and name HN) (residue 20 and name HN) 3.5 3.5 0.0 ! 170806 ! changed 300806

assign (residue 19 and name HA#) (residue 20 and name HN) 3.5 3.5 0.0 ! 170806 ! changed 310806

assign (residue 19 and name HN) (residue 31 and name HA) 6.0 6.0 0.0 ! 170806 ! changed 290108

assign (residue 19 and name HN) (residue 31 and name HB#) 5.0 5.0 0.0 ! 170806

assign (residue 19 and name HN) (residue 31 and name HD#) 5.0 5.0 0.0 ! 170806

assign (residue 19 and name HN) (residue 31 and name HE#) 6.0 6.0 0.0 ! 170806 ! changed 290108

assign (residue 19 and name HA#) (residue 31 and name HA) 6.0 6.0 0.0 ! 010906

assign (residue 19 and name HA#) (residue 31 and name HB#) 5.0 5.0 0.0 ! 010906

assign (residue 19 and name HA#) (residue 31 and name HD#) 5.0 5.0 0.0 ! 170806

assign (residue 19 and name HA#) (residue 31 and name HE#) 6.0 6.0 0.0 ! 170806 ! changed 290108

assign (residue 19 and name HN) (residue 32 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 19 and name HN) (residue 32 and name HA) 6.0 6.0 0.0 ! 010906 ! changed 240108 ! changed 190208

assign (residue 19 and name HN) (residue 32 and name HB#) 5.0 5.0 0.0 ! 080906

assign (residue 19 and name HA#) (residue 32 and name HN) 5.0 5.0 0.0 ! 070906

assign (residue 19 and name HN) (residue 33 and name HA) 5.0 5.0 0.0 ! 080906




!T20

assign (residue 20 and name HN) (residue 20 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 20 and name HN) (residue 20 and name HB) 5.0 5.0 0.0 ! 170806

assign (residue 20 and name HN) (residue 20 and name HG2#) 5.0 5.0 0.0 ! 170806

assign (residue 20 and name HN) (residue 21 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 20 and name HN) (residue 21 and name HG2#) 6.0 6.0 0.0 ! 080906

assign (residue 20 and name HA) (residue 21 and name HN) 2.5 2.5 0.0 ! 170806 ! changed 310806

assign (residue 20 and name HB) (residue 21 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 20 and name HG2#) (residue 21 and name HN) 5.0 5.0 0.0 ! 170806 ! changed 080906

assign (residue 20 and name HG2#) (residue 21 and name HA) 5.0 5.0 0.0 ! 310806

assign (residue 20 and name HG2#) (residue 21 and name HB) 5.0 5.0 0.0 ! 310806

assign (residue 20 and name HG2#) (residue 22 and name HA) 6.0 6.0 0.0 ! 110906

assign (residue 20 and name HG2#) (residue 22 and name HB#) 6.0 6.0 0.0 ! 190906

assign (residue 20 and name HN) (residue 31 and name HA) 6.0 6.0 0.0 ! 170806 ! changed 290108

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 ! 010906 ! changed 290108

assign (residue 20 and name HA) (residue 31 and name HE#) 6.0 6.0 0.0 ! 010906 ! changed 290108 ! changed 190208

assign (residue 20 and name HB) (residue 31 and name HA) 6.0 6.0 0.0 ! 010906 ! changed 290108 ! changed 190208

assign (residue 20 and name HG2#) (residue 31 and name HA) 6.0 6.0 0.0 ! 010906 ! changed 290108 ! changed 190208

assign (residue 20 and name HG2#) (residue 31 and name HD#) 6.0 6.0 0.0 ! 060906 ! changed 290108 ! changed 190208

assign (residue 20 and name HN) (residue 32 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 20 and name HN) (residue 32 and name HA) 5.0 5.0 0.0 ! 140906

assign (residue 20 and name HN) (residue 32 and name HB#) 5.0 5.0 0.0 ! 170806

assign (residue 20 and name HA) (residue 32 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 20 and name HB) (residue 32 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 20 and name HB) (residue 32 and name HB#) 5.0 5.0 0.0 ! 040906

assign (residue 20 and name HG2#) (residue 32 and name HN) 5.0 5.0 0.0 ! 170806

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 ! 170806

assign (residue 21 and name HN) (residue 21 and name HB) 5.0 5.0 0.0 ! 170806

assign (residue 21 and name HN) (residue 21 and name HG2#) 5.0 5.0 0.0 ! 170806

assign (residue 21 and name HA) (residue 22 and name HN) 2.5 2.5 0.0 ! 170806 ! changed 080906

assign (residue 21 and name HA) (residue 22 and name HB#) 6.0 6.0 0.0 ! 010906

assign (residue 21 and name HB) (residue 22 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 21 and name HG2#) (residue 22 and name HN) 5.0 5.0 0.0 ! 170806

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

assign (residue 21 and name HG2#) (residue 23 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 21 and name HA) (residue 24 and name HN) 5.0 5.0 0.0 ! 080906

assign (residue 21 and name HG2#) (residue 24 and name HE#) 6.0 6.0 0.0 ! 310806

assign (residue 21 and name HG2#) (residue 29 and name HB#) 5.0 5.0 0.0 ! 190906

assign (residue 21 and name HA) (residue 30 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 21 and name HG2#) (residue 30 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 21 and name HN) (residue 31 and name HA) 6.0 6.0 0.0 ! 170806 ! changed 290108

assign (residue 21 and name HN) (residue 31 and name HD#) 5.0 5.0 0.0 ! 170806

assign (residue 21 and name HN) (residue 31 and name HE#) 6.0 6.0 0.0 ! 170806 ! changed 290108

assign (residue 21 and name HA) (residue 31 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 21 and name HA) (residue 31 and name HD#) 3.5 3.5 0.0 ! 060906 ! changed 260907

assign (residue 21 and name HA) (residue 31 and name HE#) 5.0 5.0 0.0 ! 060906

assign (residue 21 and name HB) (residue 31 and name HA) 6.0 6.0 0.0 ! 010906 ! changed 290108 ! changed 190208

assign (residue 21 and name HB) (residue 31 and name HD#) 6.0 6.0 0.0 ! 060906 ! changed 290108

assign (residue 21 and name HB) (residue 31 and name HE#) 6.0 6.0 0.0 ! 060906 ! changed 290108

assign (residue 21 and name HG2#) (residue 31 and name HA) 5.0 5.0 0.0 ! 310806

assign (residue 21 and name HG2#) (residue 31 and name HD#) 5.0 5.0 0.0 ! 170806

assign (residue 21 and name HG2#) (residue 31 and name HE#) 3.5 3.5 0.0 ! 170806 ! changed 290108

assign (residue 21 and name HA) (residue 32 and name HN) 5.0 5.0 0.0 ! 010906 ! changed 080906 ! changed 260907

assign (residue 21 and name HG2#) (residue 32 and name HN) 5.0 5.0 0.0 ! 170806



!C22

assign (residue 22 and name HN) (residue 22 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 22 and name HN) (residue 22 and name HB#) 5.0 5.0 0.0 ! 170806

assign (residue 22 and name HN) (residue 23 and name HN) 3.5 3.5 0.0 ! 170806 ! changed 080906

assign (residue 22 and name HA) (residue 23 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 22 and name HB#) (residue 23 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 22 and name HN) (residue 30 and name HN) 6.0 6.0 0.0 ! 080906 ! changed 250108

assign (residue 22 and name HN) (residue 31 and name HA) 5.0 5.0 0.0 ! 170806 ! changed 080906 ! changed 260907

assign (residue 22 and name HN) (residue 31 and name HD#) 5.0 5.0 0.0 ! 170806

assign (residue 22 and name HN) (residue 31 and name HE#) 6.0 6.0 0.0 ! 170806 ! changed 300806

assign (residue 22 and name HN) (residue 32 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 22 and name HB#) (residue 32 and name HN) 6.0 6.0 0.0 ! 170806

assign (residue 22 and name HA) (residue 39 and name HB#) 6.0 6.0 0.0 ! 190906

assign (residue 22 and name HB#) (residue 39 and name HN) 6.0 6.0 0.0 ! 290806 ! changed 3008061 changed 221007 ! changed 190208

assign (residue 22 and name HB#) (residue 39 and name HA) 5.0 5.0 0.0 ! 010906

assign (residue 22 and name HB#) (residue 39 and name HB#) 6.0 6.0 0.0 ! 050906 ! changed 140208



!W23

assign (residue 23 and name HN) (residue 23 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 23 and name HN) (residue 23 and name HB#) 5.0 5.0 0.0 ! 170806

assign (residue 23 and name HN) (residue 23 and name HD1) 5.0 5.0 0.0 ! 170806

assign (residue 23 and name HA) (residue 24 and name HN) 3.5 3.5 0.0 ! 170806 ! changed 310806

assign (residue 23 and name HB#) (residue 24 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 23 and name HD1) (residue 24 and name HN) 5.0 5.0 0.0 ! 170806 ! changed 200906 ! changed 260907

assign (residue 23 and name HD1) (residue 25 and name HN) 6.0 6.0 0.0 ! 290806 ! changed 231007 ! changed 280108 ! changed 190208

assign (residue 23 and name HD1) (residue 25 and name HG2#) 6.0 6.0 0.0 ! 300806 ! changed 191207

assign (residue 23 and name HE1) (residue 25 and name HG2#) 5.0 5.0 0.0 ! 170806 ! changed 200906 ! changed 260907

assign (residue 23 and name HZ2) (residue 25 and name HG2#) 5.0 5.0 0.0 ! 300806

assign (residue 23 and name HH2) (residue 25 and name HG2#) 6.0 6.0 0.0 ! 300806 ! changed 191207

assign (residue 23 and name HZ3) (residue 25 and name HG2#) 6.0 6.0 0.0 ! 300806 ! changed 191207 ! changed 190208

assign (residue 23 and name HE1) (residue 28 and name HB#) 6.0 6.0 0.0 ! 060906 ! changed 280108 ! changed 190208

assign (residue 23 and name HZ3) (residue 28 and name HB#) 5.0 5.0 0.0 ! 170806 ! changed 200906 ! changed 260907

assign (residue 23 and name HH2) (residue 28 and name HB#) 6.0 6.0 0.0 ! 170806 ! changed 300806

assign (residue 23 and name HD1) (residue 29 and name HA) 6.0 6.0 0.0 ! 070906 ! added 220906 ! changed 280108

assign (residue 23 and name HE3) (residue 29 and name HA) 5.0 5.0 0.0 ! 070906 ! changed 200906

assign (residue 23 and name HN) (residue 30 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 23 and name HN) (residue 30 and name HB#) 6.0 6.0 0.0 ! 040906 ! changed 250108

assign (residue 23 and name HA) (residue 30 and name HN) 6.0 6.0 0.0 ! 170806 ! changed 190906 ! changed 220108 ! changed 190208

assign (residue 23 and name HA) (residue 30 and name HB#) 6.0 6.0 0.0 ! 040906 ! changed 220108 ! changed 190208

assign (residue 23 and name HB#) (residue 30 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 23 and name HB#) (residue 30 and name HB#) 5.0 5.0 0.0 ! 040906 ! changed 110906 ! changed 070208

assign (residue 23 and name HD1) (residue 30 and name HN) 6.0 6.0 0.0 ! 170806 ! changed 300806 ! changed 250108 ! changed 190208

assign (residue 23 and name HE3) (residue 30 and name HN) 5.0 5.0 0.0 ! 290806 ! changed 220108 ! changed 250108

assign (residue 23 and name HD1) (residue 30 and name HB#) 6.0 6.0 0.0 ! 140906

assign (residue 23 and name HB#) (residue 30 and name HD2) 6.0 6.0 0.0 ! 300806 ! changed 250108

assign (residue 23 and name HZ3) (residue 30 and name HE1) 6.0 6.0 0.0 ! 300806 ! changed 200906

assign (residue 23 and name HN) (residue 31 and name HA) 6.0 6.0 0.0 ! 170806 ! changed 300806 ! changed 280108 ! changed 190208

assign (residue 23 and name HZ2) (residue 39 and name HB#) 6.0 6.0 0.0 ! 280108 ! changed 190208

assign (residue 23 and name HZ3) (residue 41 and name HB#) 6.0 6.0 0.0 ! 070906 




!K24

assign (residue 24 and name HN) (residue 24 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 24 and name HN) (residue 24 and name HB#) 5.0 5.0 0.0 ! 170806

assign (residue 24 and name HN) (residue 24 and name HG#) 5.0 5.0 0.0 ! 170806

assign (residue 24 and name HA) (residue 25 and name HN) 3.5 3.5 0.0 ! 170806 ! changed 310806 ! changed 140208

assign (residue 24 and name HB#) (residue 25 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 24 and name HG#) (residue 25 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 24 and name HN) (residue 25 and name HG2#) 6.0 6.0 0.0 ! 290806 ! changed 210906

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 ! 080906 ! changed 140208

assign (residue 24 and name HA) (residue 30 and name HN) 6.0 6.0 0.0 ! 080906 ! changed 070208

assign (residue 24 and name HA) (residue 30 and name HD2) 6.0 6.0 0.0 ! 060906 ! changed 200906 ! changed 220108

assign (residue 24 and name HB#) (residue 30 and name HN) 6.0 6.0 0.0 ! 080906 ! changed 210807 ! changed 190208

assign (residue 24 and name HB#) (residue 30 and name HD2) 6.0 6.0 0.0 ! 060906




!T25

assign (residue 25 and name HN) (residue 25 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 25 and name HN) (residue 25 and name HB) 5.0 5.0 0.0 ! 170806

assign (residue 25 and name HN) (residue 25 and name HG2#) 5.0 5.0 0.0 ! 170806

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 ! 170806 ! changed 310806 ! changed 210906 ! changed 260907

assign (residue 25 and name HG2#) (residue 26 and name HN) 5.0 5.0 0.0 ! 310806

assign (residue 25 and name HN) (residue 27 and name HN) 6.0 6.0 0.0 ! 290806 ! changed 191207

assign (residue 25 and name HN) (residue 28 and name HN) 5.0 5.0 0.0 ! 080906 ! changed 191207 ! changed 140208

assign (residue 25 and name HN) (residue 29 and name HA) 5.0 5.0 0.0 ! 080906



!S26

assign (residue 26 and name HN) (residue 26 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 26 and name HN) (residue 26 and name HB#) 5.0 5.0 0.0 ! 170806

assign (residue 26 and name HN) (residue 27 and name HN) 3.5 3.5 0.0 ! 170806 ! changed 080906 ! changed 200906 ! changed 260907

assign (residue 26 and name HN) (residue 27 and name HB) 6.0 6.0 0.0 ! 080906! changed 221007 ! changed 190208

assign (residue 26 and name HA) (residue 27 and name HN) 3.5 3.5 0.0 ! 170806 ! changed 080906 ! changed 200906 ! changed 260907

assign (residue 26 and name HB#) (residue 27 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 26 and name HB#) (residue 27 and name HG1#) 6.0 6.0 0.0 ! 170806 ! changed 210906 ! changed 191207

assign (residue 26 and name HB#) (residue 27 and name HG2#) 6.0 6.0 0.0 ! 170806 ! changed 210906 ! changed 191207

assign (residue 26 and name HN) (residue 28 and name HN) 5.0 5.0 0.0 ! 290806

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 ! 170806

assign (residue 27 and name HN) (residue 27 and name HB) 5.0 5.0 0.0 ! 170806

assign (residue 27 and name HN) (residue 27 and name HG#) 5.0 5.0 0.0 ! 170806

assign (residue 27 and name HN) (residue 28 and name HN) 2.5 2.5 0.0 ! 170806 ! changed 120407 ! changed 260907

assign (residue 27 and name HN) (residue 28 and name HA) 6.0 6.0 0.0 ! 170806 ! changed 300806 ! removed 290507! readded 191207

assign (residue 27 and name HA) (residue 28 and name HN) 3.5 3.5 0.0 ! 170806 ! changed 310806 ! changed 200906 ! changed 191207

assign (residue 27 and name HB) (residue 28 and name HN) 5.0 5.0 0.0 ! 170806 ! changed 080906 ! changed 200906 ! 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 ! 170806

assign (residue 27 and name HG1#) (residue 28 and name HB#) 5.0 5.0 0.0 ! 170806 ! changed 191207

assign (residue 27 and name HG2#) (residue 28 and name HB#) 5.0 5.0 0.0 ! 170806 ! changed 191207



!S28

assign (residue 28 and name HN) (residue 28 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 28 and name HN) (residue 28 and name HB#) 5.0 5.0 0.0 ! 170806

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 ! 170806 ! changed 310806 ! changed 200906 ! changed 260907 ! changed 140208

assign (residue 28 and name HB#) (residue 29 and name HN) 5.0 5.0 0.0 ! 170806 ! changed 260907 ! changed 140208

assign (residue 28 and name HB#) (residue 30 and name HD2) 5.0 5.0 0.0 ! 040906 ! changed 200906

assign (residue 28 and name HB#) (residue 30 and name HE1) 6.0 6.0 0.0 ! 060906 ! changed 250108 ! changed 190208



!S29

assign (residue 29 and name HN) (residue 29 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 29 and name HN) (residue 29 and name HB#) 5.0 5.0 0.0 ! 170806

assign (residue 29 and name HN) (residue 30 and name HN) 5.0 5.0 0.0 ! 290806

assign (residue 29 and name HA) (residue 30 and name HN) 3.5 3.5 0.0 ! 170806 ! changed 310806

assign (residue 29 and name HN) (residue 30 and name HD2) 5.0 5.0 0.0 ! 300806

assign (residue 29 and name HA) (residue 30 and name HD2) 5.0 5.0 0.0 ! 170806 ! changed 110906 ! removed 230807 ! readded 250108

assign (residue 29 and name HB#) (residue 30 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 29 and name HB#) (residue 31 and name HD#) 6.0 6.0 0.0 ! 230507

assign (residue 29 and name HB#) (residue 31 and name HE#) 5.0 5.0 0.0 ! 060906 ! changed 140906



!H30

assign (residue 30 and name HN) (residue 30 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 30 and name HN) (residue 30 and name HB#) 5.0 5.0 0.0 ! 170806

assign (residue 30 and name HN) (residue 30 and name HD2) 5.0 5.0 0.0 ! 170806

assign (residue 30 and name HN) (residue 31 and name HA) 6.0 6.0 0.0 ! 170806 ! changed 300806 ! changed 240108  ! changed 190208

assign (residue 30 and name HN) (residue 31 and name HE#) 6.0 6.0 0.0 ! 170806 ! changed 300806 ! changed 250108 ! changed 190208

assign (residue 30 and name HA) (residue 31 and name HN) 3.5 3.5 0.0 ! 170806 ! changed 080906

assign (residue 30 and name HA) (residue 31 and name HD#) 5.0 5.0 0.0 ! 290108

assign (residue 30 and name HA) (residue 31 and name HE#) 6.0 6.0 0.0 ! 170806 ! changed 250108

assign (residue 30 and name HB#) (residue 31 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 30 and name HB#) (residue 40 and name HD#) 6.0 6.0 0.0 ! 170806 ! changed 300806

assign (residue 30 and name HB#) (residue 40 and name HG#) 6.0 6.0 0.0 ! 040906 ! changed 110906

assign (residue 30 and name HD2) (residue 41 and name HA) 6.0 6.0 0.0 ! 010906 ! changed 260907

assign (residue 30 and name HE1) (residue 41 and name HA) 5.0 5.0 0.0 ! 010906 ! changed 200906 ! changed 260907

assign (residue 30 and name HE1) (residue 41 and name HB#) 5.0 5.0 0.0 ! 300806 ! removed 120906

assign (residue 30 and name HE1) (residue 42 and name HN) 6.0 6.0 0.0 ! 060906 ! changed 250108

assign (residue 30 and name HE1) (residue 42 and name HB#) 6.0 6.0 0.0 ! 300806 ! changed 300806 ! removed 120906 ! readded 250108 ! changed 190208

assign (residue 30 and name HD2) (residue 43 and name HB#) 5.0 5.0 0.0 ! 300806

assign (residue 30 and name HE1) (residue 43 and name HB#) 6.0 6.0 0.0 ! 250108 ! changed 190208

assign (residue 30 and name HA) (residue 44 and name HN) 6.0 6.0 0.0 ! 120906 



!Y31

assign (residue 31 and name HN) (residue 31 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 31 and name HN) (residue 31 and name HB#) 5.0 5.0 0.0 ! 170806

assign (residue 31 and name HN) (residue 31 and name HD#) 5.0 5.0 0.0 ! 170806

assign (residue 31 and name HN) (residue 32 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 31 and name HA) (residue 32 and name HN) 2.5 2.5 0.0 ! 170806 ! changed 310806

assign (residue 31 and name HB#) (residue 32 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 31 and name HD#) (residue 32 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 31 and name HE#) (residue 32 and name HN) 6.0 6.0 0.0 ! 170806 ! changed 291107 ! changed 290108 ! changed 190208

assign (residue 31 and name HE#) (residue 44 and name HN) 6.0 6.0 0.0 ! 060906 ! changed 290108

assign (residue 31 and name HE#) (residue 44 and name HA#) 5.0 5.0 0.0 ! 310806 ! changed 120906 ! changed 291107



!C32

assign (residue 32 and name HN) (residue 32 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 32 and name HN) (residue 32 and name HB#) 5.0 5.0 0.0 ! 170806

assign (residue 32 and name HN) (residue 33 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 32 and name HN) (residue 33 and name HA) 6.0 6.0 0.0 ! 070906

assign (residue 32 and name HN) (residue 33 and name HG2#) 6.0 6.0 0.0 ! 170806 ! changed 300806

assign (residue 32 and name HA) (residue 33 and name HN) 2.5 2.5 0.0 ! 170806 ! changed 080906

assign (residue 32 and name HA) (residue 33 and name HG2#) 5.0 5.0 0.0 ! 170806

assign (residue 32 and name HB#) (residue 33 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 32 and name HN) (residue 34 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 32 and name HA) (residue 34 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 32 and name HB#) (residue 34 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 32 and name HA) (residue 35 and name HN) 6.0 6.0 0.0 ! 070906

assign (residue 32 and name HB#) (residue 35 and name HN) 6.0 6.0 0.0 ! 070906 ! changed 210807 ! changed 190208

assign (residue 32 and name HA) (residue 36 and name HN) 6.0 6.0 0.0 ! 070906

assign (residue 32 and name HB#) (residue 36 and name HN) 6.0 6.0 0.0 ! 070906 ! removed 120906 ! readded 161007

assign (residue 32 and name HA) (residue 39 and name HA) 5.0 5.0 0.0 ! 010906

assign (residue 32 and name HN) (residue 40 and name HD#) 6.0 6.0 0.0 ! 070906

assign (residue 32 and name HA) (residue 40 and name HD#) 5.0 5.0 0.0 ! 170806



!T33

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

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

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

assign (residue 33 and name HN) (residue 34 and name HN) 3.5 3.5 0.0 ! 170806 ! changed 300806

assign (residue 33 and name HN) (residue 34 and name HA#) 6.0 6.0 0.0 ! 170806 ! changed 300806

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 ! 170806 ! changed 291107

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 ! 290806

assign (residue 33 and name HB) (residue 35 and name HN) 5.0 5.0 0.0 ! 290806

assign (residue 33 and name HG1) (residue 35 and name HN) 5.0 5.0 0.0 ! 190906 ! changed 191207

assign (residue 33 and name HG1) (residue 35 and name HB#) 5.0 5.0 0.0 ! 190906 ! changed 191207

assign (residue 33 and name HG2#) (residue 35 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 33 and name HN) (residue 36 and name HN) 5.0 5.0 0.0 ! 290806

assign (residue 33 and name HG1) (residue 36 and name HN) 5.0 5.0 0.0 ! 191207

assign (residue 33 and name HG2#) (residue 36 and name HN) 6.0 6.0 0.0 ! 290806 ! changed 291107

assign (residue 33 and name HG2#) (residue 36 and name HB#) 6.0 6.0 0.0 ! 310806 ! removed 220507 ! readded 280807

assign (residue 33 and name HN) (residue 39 and name HA) 6.0 6.0 0.0 ! 170806 ! changed 291107

assign (residue 33 and name HG2#) (residue 39 and name HA) 5.0 5.0 0.0 ! 310806

assign (residue 33 and name HN) (residue 40 and name HG#) 5.0 5.0 0.0 ! 170806

assign (residue 33 and name HN) (residue 40 and name HD#) 5.0 5.0 0.0 ! 170806

assign (residue 33 and name HG2#) (residue 40 and name HA) 6.0 6.0 0.0 ! 010906

assign (residue 33 and name HG2#) (residue 40 and name HG#) 5.0 5.0 0.0 ! 310806

assign (residue 33 and name HG2#) (residue 40 and name HD#) 5.0 5.0 0.0 ! 170806

assign (residue 33 and name HG2#) (residue 42 and name HE#) 6.0 6.0 0.0 ! 060906 ! changed 290108 ! changed 190208



!G34

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

assign (residue 34 and name HN) (residue 35 and name HN) 3.5 3.5 0.0 ! 170806 ! changed 080906

assign (residue 34 and name HN) (residue 35 and name HB#) 6.0 6.0 0.0 ! 140906 ! removed 210807 ! readded 221007

assign (residue 34 and name HA#) (residue 35 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 34 and name HN) (residue 36 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 34 and name HA#) (residue 36 and name HN) 5.0 5.0 0.0 ! 170806



!R35

assign (residue 35 and name HN) (residue 35 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 35 and name HN) (residue 35 and name HB#) 5.0 5.0 0.0 ! 170806

assign (residue 35 and name HN) (residue 35 and name HG#) 5.0 5.0 0.0 ! 170806

assign (residue 35 and name HN) (residue 35 and name HD#) 6.0 6.0 0.0 ! 170806 ! changed 291107

assign (residue 35 and name HN) (residue 36 and name HN) 2.5 2.5 0.0 ! 290806 ! changed 080906 ! changed 200906 ! changed 260907

assign (residue 35 and name HN) (residue 36 and name HB#) 6.0 6.0 0.0 ! 290806 ! changed 291107

assign (residue 35 and name HA) (residue 36 and name HN) 3.5 3.5 0.0 ! 170806 ! changed 080906

assign (residue 35 and name HB#) (residue 36 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 35 and name HG#) (residue 36 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 35 and name HD#) (residue 36 and name HN) 6.0 6.0 0.0 ! 290806 ! changed 300806



!S36

assign (residue 36 and name HN) (residue 36 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 36 and name HN) (residue 36 and name HB#) 5.0 5.0 0.0 ! 170806

assign (residue 36 and name HN) (residue 37 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 36 and name HA) (residue 37 and name HN) 2.5 2.5 0.0 ! 170806 ! changed 310806

assign (residue 36 and name HB#) (residue 37 and name HN) 3.5 3.5 0.0 ! 170806 ! changed 080906

assign (residue 36 and name HN) (residue 38 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 36 and name HA) (residue 38 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 36 and name HB#) (residue 38 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 36 and name HB#) (residue 38 and name HB#) 6.0 6.0 0.0 ! 191207



!C37

assign (residue 37 and name HN) (residue 37 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 37 and name HN) (residue 37 and name HB#) 5.0 5.0 0.0 ! 170806

assign (residue 37 and name HN) (residue 38 and name HN) 2.5 2.5 0.0 ! 170806 ! changed 080906

assign (residue 37 and name HA) (residue 38 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 37 and name HB#) (residue 38 and name HN) 5.0 5.0 0.0 ! 170806




!E38

assign (residue 38 and name HN) (residue 38 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 38 and name HN) (residue 38 and name HB#) 5.0 5.0 0.0 ! 170806

assign (residue 38 and name HN) (residue 38 and name HG#) 5.0 5.0 0.0 ! 170806

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 ! 170806 ! changed 310806

assign (residue 38 and name HB#) (residue 39 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 38 and name HG#) (residue 39 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 38 and name HB#) (residue 39 and name HA) 6.0 6.0 0.0 ! 180906




!C39

assign (residue 39 and name HN) (residue 39 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 39 and name HN) (residue 39 and name HB#) 5.0 5.0 0.0 ! 170806

assign (residue 39 and name HN) (residue 40 and name HD#) 5.0 5.0 0.0 ! 170806

assign (residue 39 and name HA) (residue 40 and name HB#) 6.0 6.0 0.0 ! 170806 ! changed 300806

assign (residue 39 and name HA) (residue 40 and name HG#) 5.0 5.0 0.0 ! 170806

assign (residue 39 and name HA) (residue 40 and name HD#) 3.5 3.5 0.0 ! 170806 ! changed 300806

assign (residue 39 and name HB#) (residue 40 and name HD#) 5.0 5.0 0.0 ! 040906




!P40

assign (residue 40 and name HA) (residue 41 and name HN) 2.5 2.5 0.0 ! 170806 ! changed 310806

assign (residue 40 and name HA) (residue 41 and name HB#) 6.0 6.0 0.0 ! 180906

assign (residue 40 and name HB#) (residue 41 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 40 and name HG#) (residue 41 and name HN) 6.0 6.0 0.0 ! 170806 ! changed 300806

assign (residue 40 and name HA) (residue 42 and name HN) 5.0 5.0 0.0 ! 070906

assign (residue 40 and name HA) (residue 42 and name HE#) 6.0 6.0 0.0 ! 220906 ! changed 290108 ! changed 190208

assign (residue 40 and name HB#) (residue 42 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 40 and name HB#) (residue 42 and name HD#) 6.0 6.0 0.0 ! 170806 ! changed 300806

assign (residue 40 and name HB#) (residue 42 and name HE#) 5.0 5.0 0.0 ! 170806

assign (residue 40 and name HG#) (residue 42 and name HN) 6.0 6.0 0.0 ! 170806 ! changed 300806 ! changed 290108 ! changed 190208

assign (residue 40 and name HG#) (residue 42 and name HD#) 6.0 6.0 0.0 ! 170806 ! changed 300806 ! changed 290108 ! changed 190208

assign (residue 40 and name HG#) (residue 42 and name HE#) 6.0 6.0 0.0 ! 170806 ! changed 290108



!S41

assign (residue 41 and name HN) (residue 41 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 41 and name HN) (residue 41 and name HB#) 5.0 5.0 0.0 ! 170806

assign (residue 41 and name HN) (residue 42 and name HN) 3.5 3.5 0.0 ! 170806 ! changed 080906

assign (residue 41 and name HN) (residue 42 and name HD#) 6.0 6.0 0.0 ! 170806 ! changed 300806

assign (residue 41 and name HN) (residue 42 and name HE#) 6.0 6.0 0.0 ! 170806 ! changed 300806 ! changed 290108 ! changed 190208

assign (residue 41 and name HA) (residue 42 and name HN) 3.5 3.5 0.0 ! 170806 ! changed 080906

assign (residue 41 and name HB#) (residue 42 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 41 and name HB#) (residue 42 and name HD#) 6.0 6.0 0.0 ! 300806 ! changed 290108

assign (residue 41 and name HB#) (residue 42 and name HE#) 6.0 6.0 0.0 ! 300806 ! changed 300806 ! changed 290108 ! changed 190208



!Y42

assign (residue 42 and name HN) (residue 42 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 42 and name HN) (residue 42 and name HB#) 5.0 5.0 0.0 ! 170806

assign (residue 42 and name HN) (residue 42 and name HD#) 5.0 5.0 0.0 ! 290806

assign (residue 42 and name HN) (residue 43 and name HD#) 6.0 6.0 0.0 ! 170806 ! changed 290108

assign (residue 42 and name HA) (residue 43 and name HG#) 6.0 6.0 0.0 ! 010906

assign (residue 42 and name HA) (residue 43 and name HD#) 3.5 3.5 0.0 ! 170806 ! changed 080906

assign (residue 42 and name HB#) (residue 43 and name HD#) 5.0 5.0 0.0 ! 170806

assign (residue 42 and name HD#) (residue 43 and name HG#) 6.0 6.0 0.0 ! 300806 ! changed 290108

assign (residue 42 and name HE#) (residue 43 and name HG#) 6.0 6.0 0.0 ! 300806 ! changed 300806

assign (residue 42 and name HD#) (residue 43 and name HD#) 6.0 6.0 0.0 ! 300806 ! changed 110906

assign (residue 42 and name HE#) (residue 43 and name HD#) 6.0 6.0 0.0 ! 300806 ! changed 290108 ! changed 190208

assign (residue 42 and name HE#) (residue 44 and name HA#) 6.0 6.0 0.0 ! 310806

assign (residue 42 and name HD#) (residue 46 and name HN) 6.0 6.0 0.0 ! 290806 ! changed 120906 ! changed 290108 ! changed 190208

assign (residue 42 and name HE#) (residue 46 and name HN) 6.0 6.0 0.0 ! 290806 ! changed 300806 ! changed 290108 ! changed 190208



!P43

assign (residue 43 and name HA) (residue 44 and name HN) 3.5 3.5 0.0 ! 170806 ! changed 310806 ! changed 200906 ! changed 260907

assign (residue 43 and name HB#) (residue 44 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 43 and name HG#) (residue 44 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 43 and name HD#) (residue 44 and name HN) 5.0 5.0 0.0 ! 170806



!G44

assign (residue 44 and name HN) (residue 44 and name HA#) 5.0 5.0 0.0 ! 170806

assign (residue 44 and name HN) (residue 45 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 44 and name HA#) (residue 45 and name HN) 5.0 5.0 0.0 ! 170806



!N45

assign (residue 45 and name HN) (residue 45 and name HA) 5.0 5.0 0.0 ! 170806

assign (residue 45 and name HN) (residue 45 and name HB#) 5.0 5.0 0.0 ! 170806

assign (residue 45 and name HN) (residue 45 and name HD2#) 5.0 5.0 0.0 ! 170806

assign (residue 45 and name HA) (residue 46 and name HN) 5.0 5.0 0.0 ! 170806

assign (residue 45 and name HB#) (residue 46 and name HN) 6.0 6.0 0.0 ! 170806 ! changed 300806



!G46

assign (residue 46 and name HN) (residue 46 and name HA#) 5.0 5.0 0.0 ! 170806




! 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 11 and name HN) ((residue 14 and name HB#) or (residue 16 and name HD#)) 5.0 5.0 0.0 ! 140807


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 13 and name HN) ((residue 11 and name HG#) or (residue 14 and name HG#) or (residue 16 and name HG#)) 6.0 6.0 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 ! 200906 ! changed 191207 ! changed 190208

assign (residue 23 and name HD1) ((residue 25 and name HA) or (residue 25 and name HB)) 6.0 6.0 0.0 ! 200906 ! changed 191207 ! changed 190208

assign (residue 23 and name HZ2) ((residue 25 and name HA) or (residue 25 and name HB)) 6.0 6.0 0.0 ! 200906

assign (residue 23 and name HE1) ((residue 25 and name HA) or (residue 25 and name HB)) 6.0 6.0 0.0 ! 191207

assign (residue 23 and name HE1) ((residue 22 and name HB#) or (residue 39 and name HB#)) 6.0 6.0 0.0 ! 200906 ! changed 230807 ! changed 190208

assign (residue 23 and name HZ2) ((residue 43 and name HG#) or (residue 43 and name HB#) or (residue 38 and name HB#) or (residue 17 and name HG#) or (residue 8 and name HB#)) 5.0 5.0 0.0 ! 200906 ! removed 210906

assign (residue 23 and name HH2) ((residue 43 and name HB#) or (residue 38 and name HG#) or (residue 27 and name HB) or (residue 8 and name HG#)) 6.0 6.0 0.0 ! 200906 ! removed 210906 ! readded 280108 ! changed 190208


assign (residue 24 and name HB#) ((residue 22 and name HA) or (residue 29 and name HA)) 6.0 6.0 0.0 ! 190906


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)) 6.0 6.0 0.0 ! 110906 ! changed 191207


assign (residue 27 and name HN) ((residue 25 and name HA) or (residue 25 and name HB)) 5.0 5.0 0.0 ! 210906 ! changed 191207 ! 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 ! 210906


assign (residue 30 and name HD2) ((residue 22 and name HA) or (residue 29 and name HA)) 6.0 6.0 0.0 ! 060906

assign (residue 30 and name HD2) ((residue 29 and name HB#) or (residue 43 and name HD#)) 6.0 6.0 0.0 ! 060906

assign (residue 30 and name HB#) ((residue 40 and name HD#) or (residue 44 and name HA#)) 6.0 6.0 0.0 ! 240108

assign (residue 30 and name HE1) ((residue 23 and name HH2) or (residue 23 and name HE3)) 6.0 6.0 0.0 ! 200906

assign (residue 30 and name HE1) ((residue 25 and name HG2#) or (residue 27 and name HG#)) 6.0 6.0 0.0 ! 200906 ! changed 190208

assign (residue 30 and name HD2) ((residue 25 and name HG2#) or (residue 27 and name HG#)) 6.0 6.0 0.0 ! 200906


assign (residue 31 and name HE#) ((residue 29 and name HN) or (residue 34 and name HN) or (residue 45 and name HN)) 6.0 6.0 0.0 ! 060906 ! changed 290108


assign (residue 32 and name HN) ((residue 16 and name HB#) or (residue 40 and name HB#)) 6.0 6.0 0.0 ! 190906 ! changed 230807 ! changed 190208


assign (residue 33 and name HG2#) ((residue 31 and name HD#) or (residue 42 and name HD#)) 6.0 6.0 0.0 ! 290108 ! changed 190208


assign (residue 39 and name HA) ((residue 38 and name HA) or (residue 40 and name HA)) 6.0 6.0 0.0 ! 110906

assign (residue 39 and name HB#) ((residue 38 and name HA) or (residue 40 and name HA)) 5.0 5.0 0.0 ! 110906


assign (residue 40 and name HB#) ((residue 30 and name HA) or (residue 32 and name HA)) 6.0 6.0 0.0 ! 240108 ! changed 190208

assign (residue 40 and name HG#) ((residue 30 and name HA) or (residue 32 and name HA)) 5.0 5.0 0.0 ! 240108


assign (residue 44 and name HN) ((residue 31 and name HD#) or (residue 42 and name HD#)) 5.0 5.0 0.0 ! 060906

assign (residue 44 and name HA#) ((residue 31 and name HD#) or (residue 42 and name HD#)) 5.0 5.0 0.0 ! 060906




! H-BOND CONSTRAINTS




assign (residue 9 and name o) (residue 16 and name hn) 2.0 2.0 0.3 ! 220906
assign (residue 9 and name o) (residue 16 and name n) 3.0 0.5 0.3 ! 220906

assign (residue 32 and name o) (residue 19 and name hn) 2.0 2.0 0.3 ! 140208
assign (residue 32 and name o) (residue 19 and name n) 3.0 0.5 0.3 ! 140208

assign (residue 20 and name o) (residue 32 and name hn) 2.0 2.0 0.3 ! 140208
assign (residue 20 and name o) (residue 32 and name n) 3.0 0.5 0.3 ! 140208





  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           H1       ALA   1 -21.509  -5.678   1.009
    2    H2   ALA   1           H3       ALA   1 -22.575  -4.584   1.786
    3    H3   ALA   1           H2       ALA   1 -21.386  -3.995   0.698
    4    HA   ALA   1           HA       ALA   1 -20.588  -3.539   2.790
    5    HB3  ALA   1           HB1      ALA   1 -20.446  -5.243   4.553
    6    HB2  ALA   1           HB2      ALA   1 -21.274  -6.389   3.498
    7    HB1  ALA   1           HB3      ALA   1 -22.111  -4.940   4.056

  No H/Q in entry =           7
  In of MODEL    1
    1    H    MET   2           H        MET   2 -18.510  -3.250   2.369
    2    HA   MET   2           HA       MET   2 -16.814  -5.587   1.895
    3    HB2  MET   2           HB2      MET   2 -17.217  -3.280   0.042
    4    HB3  MET   2           HB3      MET   2 -15.612  -3.989   0.163
    5    HG2  MET   2           HG2      MET   2 -16.255  -5.960  -0.792
    6    HG3  MET   2           HG3      MET   2 -17.929  -5.799  -0.262
    7    HE2  MET   2           HE1      MET   2 -19.166  -2.904  -2.355
    8    HE1  MET   2           HE2      MET   2 -19.273  -3.857  -0.875
    9    HE3  MET   2           HE3      MET   2 -19.906  -4.505  -2.388

  No H/Q in entry =           9
  In of MODEL    1
    1    H    ASP   3           H        ASP   3 -15.834  -5.376   3.876
    2    HA   ASP   3           HA       ASP   3 -14.552  -2.818   4.511
    3    HB2  ASP   3           HB2      ASP   3 -16.023  -4.252   6.155
    4    HB3  ASP   3           HB3      ASP   3 -14.532  -5.166   6.370

  No H/Q in entry =           4
  In of MODEL    1
    1    H    CYS   4           H        CYS   4 -13.531  -4.545   2.422
    2    HA   CYS   4           HA       CYS   4 -11.124  -5.730   3.552
    3    HB2  CYS   4           HB2      CYS   4 -12.456  -5.781   0.877
    4    HB3  CYS   4           HB3      CYS   4 -10.735  -6.136   0.971

  No H/Q in entry =           4
  In of MODEL    1
    1    H    THR   5           H        THR   5 -12.136  -2.875   1.850
    2    HA   THR   5           HA       THR   5 -11.046  -0.963   1.273
    3    HB   THR   5           HB       THR   5  -8.548  -1.709   2.691
    4    HG1  THR   5           HG1      THR   5  -9.710  -2.507   4.269
    5   HG21  THR   5          HG21      THR   5  -9.078   0.598   1.846
    6   HG23  THR   5          HG22      THR   5  -8.625   0.483   3.547
    7   HG22  THR   5          HG23      THR   5 -10.319   0.678   3.096

  No H/Q in entry =           7
  In of MODEL    1
    1    H    THR   6           H        THR   6 -11.034  -2.280  -0.825
    2    HA   THR   6           HA       THR   6  -8.735  -3.534  -1.788
    3    HB   THR   6           HB       THR   6  -9.774  -2.529  -4.065
    4    HG1  THR   6           HG1      THR   6 -12.019  -2.303  -3.747
    5   HG23  THR   6          HG21      THR   6 -10.388  -4.627  -4.371
    6   HG22  THR   6          HG22      THR   6 -11.633  -4.496  -3.127
    7   HG21  THR   6          HG23      THR   6  -9.985  -4.943  -2.683

  No H/Q in entry =           7
  In of MODEL    1
    1    H    GLY   7           H        GLY   7  -6.986  -2.845  -3.000
    2    HA3  GLY   7           HA2      GLY   7  -6.429  -0.461  -4.163
    3    HA2  GLY   7           HA3      GLY   7  -6.118  -0.145  -2.462

  No H/Q in entry =           3
  In of MODEL    1
    1    HA   PRO   8           HA       PRO   8  -2.367  -2.115  -4.541
    2    HB2  PRO   8           HB2      PRO   8  -0.653  -0.029  -4.301
    3    HB3  PRO   8           HB3      PRO   8  -1.711  -0.241  -5.699
    4    HG2  PRO   8           HG2      PRO   8  -2.060   1.529  -3.315
    5    HG3  PRO   8           HG3      PRO   8  -2.369   1.880  -5.024
    6    HD2  PRO   8           HD2      PRO   8  -4.340   1.239  -3.264
    7    HD3  PRO   8           HD3      PRO   8  -4.424   0.847  -4.993

  No H/Q in entry =           7
  In of MODEL    1
    1    H    CYS   9           H        CYS   9  -2.843  -0.157  -1.661
    2    HA   CYS   9           HA       CYS   9  -0.538  -1.222  -0.294
    3    HB2  CYS   9           HB2      CYS   9  -2.380   0.923   0.119
    4    HB3  CYS   9           HB3      CYS   9  -2.384  -0.091   1.557

  No H/Q in entry =           4
  In of MODEL    1
    1    H    CYS  10           H        CYS  10  -3.715  -2.258  -0.890
    2    HA   CYS  10           HA       CYS  10  -3.793  -4.009   1.452
    3    HB2  CYS  10           HB2      CYS  10  -5.762  -2.612   0.073
    4    HB3  CYS  10           HB3      CYS  10  -5.994  -4.275  -0.444

  No H/Q in entry =           4
  In of MODEL    1
    1    H    ARG  11           H        ARG  11  -2.843  -5.934   1.260
    2    HA   ARG  11           HA       ARG  11  -1.912  -7.085  -1.085
    3    HB2  ARG  11           HB2      ARG  11  -1.516  -7.652   1.471
    4    HB3  ARG  11           HB3      ARG  11  -2.743  -8.870   1.153
    5    HG2  ARG  11           HG2      ARG  11  -1.404 -10.001  -0.372
    6    HG3  ARG  11           HG3      ARG  11  -0.345  -8.611  -0.618
    7    HD2  ARG  11           HD2      ARG  11   0.901  -9.070   1.211
    8    HD3  ARG  11           HD3      ARG  11  -0.481  -9.657   2.135
    9    HE   ARG  11           HE       ARG  11  -0.005 -11.783   1.432
   10   HH11  ARG  11          HH11      ARG  11   1.740  -9.517  -0.567
   11   HH12  ARG  11          HH12      ARG  11   2.666 -10.743  -1.366
   12   HH21  ARG  11          HH21      ARG  11   1.211 -13.397   0.383
   13   HH22  ARG  11          HH22      ARG  11   2.366 -12.946  -0.827

  No H/Q in entry =          13
  In of MODEL    1
    1    H    GLN  12           H        GLN  12  -5.078  -7.091   0.247
    2    HA   GLN  12           HA       GLN  12  -6.449  -7.876  -1.972
    3    HB2  GLN  12           HB2      GLN  12  -5.237 -10.171  -0.603
    4    HB3  GLN  12           HB3      GLN  12  -6.975 -10.329  -0.820
    5    HG2  GLN  12           HG2      GLN  12  -6.824 -10.488  -3.074
    6    HG3  GLN  12           HG3      GLN  12  -5.400  -9.452  -3.164
    7   HE21  GLN  12          HE21      GLN  12  -3.539 -10.582  -1.724
    8   HE22  GLN  12          HE22      GLN  12  -3.191 -12.194  -2.241

  No H/Q in entry =           8
  In of MODEL    1
    1    H    CYS  13           H        CYS  13  -6.147  -8.056   1.486
    2    HA   CYS  13           HA       CYS  13  -8.543  -6.702   1.997
    3    HB2  CYS  13           HB2      CYS  13  -9.516  -8.892   1.252
    4    HB3  CYS  13           HB3      CYS  13  -8.721  -9.654   2.626

  No H/Q in entry =           4
  In of MODEL    1
    1    H    LYS  14           H        LYS  14  -5.788  -6.719   2.810
    2    HA   LYS  14           HA       LYS  14  -6.185  -6.563   5.661
    3    HB2  LYS  14           HB2      LYS  14  -5.383  -8.983   4.889
    4    HB3  LYS  14           HB3      LYS  14  -3.814  -8.189   4.881
    5    HG2  LYS  14           HG2      LYS  14  -5.678  -8.212   7.243
    6    HG3  LYS  14           HG3      LYS  14  -4.364  -9.364   7.000
    7    HD2  LYS  14           HD2      LYS  14  -2.745  -7.545   7.009
    8    HD3  LYS  14           HD3      LYS  14  -4.048  -6.369   7.190
    9    HE2  LYS  14           HE2      LYS  14  -4.656  -7.724   9.306
   10    HE3  LYS  14           HE3      LYS  14  -3.024  -8.375   9.164
   11    HZ3  LYS  14           HZ1      LYS  14  -2.094  -6.244   9.429
   12    HZ2  LYS  14           HZ2      LYS  14  -3.286  -6.365  10.623
   13    HZ1  LYS  14           HZ3      LYS  14  -3.583  -5.467   9.221

  No H/Q in entry =          13
  In of MODEL    1
    1    H    LEU  15           H        LEU  15  -5.358  -4.657   6.157
    2    HA   LEU  15           HA       LEU  15  -3.824  -3.016   4.607
    3    HB2  LEU  15           HB2      LEU  15  -4.981  -2.703   6.957
    4    HB3  LEU  15           HB3      LEU  15  -3.354  -2.981   7.550
    5    HG   LEU  15           HG       LEU  15  -4.203  -0.785   5.662
    6   HD11  LEU  15          HD11      LEU  15  -4.211  -0.991   8.513
    7   HD13  LEU  15          HD12      LEU  15  -4.692   0.364   7.492
    8   HD12  LEU  15          HD13      LEU  15  -3.015   0.205   8.014
    9   HD22  LEU  15          HD21      LEU  15  -2.038  -1.137   5.001
   10   HD21  LEU  15          HD22      LEU  15  -1.542  -1.760   6.575
   11   HD23  LEU  15          HD23      LEU  15  -1.783  -0.027   6.348

  No H/Q in entry =          11
  In of MODEL    1
    1    H    LYS  16           H        LYS  16  -1.972  -3.529   3.636
    2    HA   LYS  16           HA       LYS  16  -0.116  -5.415   4.409
    3    HB2  LYS  16           HB2      LYS  16   0.107  -2.943   2.717
    4    HB3  LYS  16           HB3      LYS  16   1.517  -3.948   3.023
    5    HG2  LYS  16           HG2      LYS  16   0.427  -5.853   2.015
    6    HG3  LYS  16           HG3      LYS  16  -1.055  -4.920   1.795
    7    HD2  LYS  16           HD2      LYS  16  -0.186  -3.693   0.063
    8    HD3  LYS  16           HD3      LYS  16   1.474  -3.859   0.637
    9    HE2  LYS  16           HE2      LYS  16   0.125  -6.350  -0.193
   10    HE3  LYS  16           HE3      LYS  16   0.484  -5.196  -1.478
   11    HZ1  LYS  16           HZ1      LYS  16   2.504  -6.141   0.477
   12    HZ3  LYS  16           HZ2      LYS  16   2.778  -5.258  -0.939
   13    HZ2  LYS  16           HZ3      LYS  16   2.260  -6.865  -1.033

  No H/Q in entry =          13
  In of MODEL    1
    1    HA   PRO  17           HA       PRO  17   2.082  -3.770   7.863
    2    HB2  PRO  17           HB2      PRO  17   4.593  -4.741   7.369
    3    HB3  PRO  17           HB3      PRO  17   3.271  -5.718   8.017
    4    HG2  PRO  17           HG2      PRO  17   4.274  -5.509   5.206
    5    HG3  PRO  17           HG3      PRO  17   3.775  -6.949   6.113
    6    HD2  PRO  17           HD2      PRO  17   2.165  -5.780   4.300
    7    HD3  PRO  17           HD3      PRO  17   1.524  -6.539   5.772

  No H/Q in entry =           7
  In of MODEL    1
    1    H    ALA  18           H        ALA  18   2.893  -1.812   8.274
    2    HA   ALA  18           HA       ALA  18   3.579   0.051   6.362
    3    HB3  ALA  18           HB1      ALA  18   3.092   0.268   8.932
    4    HB2  ALA  18           HB2      ALA  18   4.046   1.487   8.087
    5    HB1  ALA  18           HB3      ALA  18   4.851   0.247   9.048

  No H/Q in entry =           5
  In of MODEL    1
    1    H    GLY  19           H        GLY  19   5.600   1.035   5.784
    2    HA3  GLY  19           HA2      GLY  19   7.805   1.018   5.138
    3    HA2  GLY  19           HA3      GLY  19   8.111  -0.082   6.475

  No H/Q in entry =           3
  In of MODEL    1
    1    H    THR  20           H        THR  20   5.753  -0.922   4.076
    2    HA   THR  20           HA       THR  20   7.665  -2.816   2.875
    3    HB   THR  20           HB       THR  20   4.749  -3.318   3.502
    4    HG1  THR  20           HG1      THR  20   7.119  -4.348   4.667
    5   HG22  THR  20          HG21      THR  20   6.560  -5.535   2.806
    6   HG21  THR  20          HG22      THR  20   6.029  -4.496   1.483
    7   HG23  THR  20          HG23      THR  20   4.839  -5.324   2.487

  No H/Q in entry =           7
  In of MODEL    1
    1    H    THR  21           H        THR  21   7.853  -2.658   0.738
    2    HA   THR  21           HA       THR  21   6.545  -0.723  -0.782
    3    HB   THR  21           HB       THR  21   7.414  -2.914  -2.449
    4    HG1  THR  21           HG1      THR  21   9.283  -3.422  -1.588
    5   HG21  THR  21          HG21      THR  21   7.919  -0.080  -2.123
    6   HG23  THR  21          HG22      THR  21   7.942  -1.080  -3.576
    7   HG22  THR  21          HG23      THR  21   9.369  -0.990  -2.544

  No H/Q in entry =           7
  In of MODEL    1
    1    H    CYS  22           H        CYS  22   4.459  -0.636  -1.238
    2    HA   CYS  22           HA       CYS  22   2.959  -3.123  -1.617
    3    HB2  CYS  22           HB2      CYS  22   0.954  -1.657  -1.424
    4    HB3  CYS  22           HB3      CYS  22   1.991  -1.611  -0.002

  No H/Q in entry =           4
  In of MODEL    1
    1    H    TRP  23           H        TRP  23   3.645  -0.039  -3.202
    2    HA   TRP  23           HA       TRP  23   2.227  -0.881  -5.595
    3    HB2  TRP  23           HB2      TRP  23   2.443   1.544  -4.459
    4    HB3  TRP  23           HB3      TRP  23   3.793   1.635  -5.584
    5    HD1  TRP  23           HD1      TRP  23   1.574  -0.424  -7.440
    6    HE1  TRP  23           HE1      TRP  23   0.047   0.928  -9.010
    7    HE3  TRP  23           HE3      TRP  23   2.178   4.206  -5.370
    8    HZ2  TRP  23           HZ2      TRP  23  -0.794   3.601  -9.324
    9    HZ3  TRP  23           HZ3      TRP  23   0.979   6.111  -6.366
   10    HH2  TRP  23           HH2      TRP  23  -0.474   5.812  -8.305

  No H/Q in entry =          10
  In of MODEL    1
    1    H    LYS  24           H        LYS  24   5.397   0.646  -5.144
    2    HA   LYS  24           HA       LYS  24   7.399   0.343  -6.181
    3    HB2  LYS  24           HB2      LYS  24   6.966  -1.953  -5.078
    4    HB3  LYS  24           HB3      LYS  24   6.600  -2.507  -6.706
    5    HG2  LYS  24           HG2      LYS  24   8.812  -1.959  -7.453
    6    HG3  LYS  24           HG3      LYS  24   9.193  -1.207  -5.903
    7    HD2  LYS  24           HD2      LYS  24   9.511  -3.197  -4.863
    8    HD3  LYS  24           HD3      LYS  24   8.266  -4.012  -5.812
    9    HE2  LYS  24           HE2      LYS  24   9.708  -4.430  -7.580
   10    HE3  LYS  24           HE3      LYS  24  10.822  -3.149  -7.104
   11    HZ1  LYS  24           HZ1      LYS  24  10.481  -5.322  -5.203
   12    HZ3  LYS  24           HZ2      LYS  24  11.881  -4.487  -5.655
   13    HZ2  LYS  24           HZ3      LYS  24  11.276  -5.719  -6.643

  No H/Q in entry =          13
  In of MODEL    1
    1    H    THR  25           H        THR  25   5.034   1.094  -7.760
    2    HA   THR  25           HA       THR  25   4.963  -0.171 -10.252
    3    HB   THR  25           HB       THR  25   4.555   2.767 -10.198
    4    HG1  THR  25           HG1      THR  25   3.005   2.750  -8.744
    5   HG22  THR  25          HG21      THR  25   2.767   0.497 -11.032
    6   HG21  THR  25          HG22      THR  25   3.805   1.440 -12.102
    7   HG23  THR  25          HG23      THR  25   2.457   2.217 -11.272

  No H/Q in entry =           7
  In of MODEL    1
    1    H    SER  26           H        SER  26   6.169  -0.036 -12.064
    2    HA   SER  26           HA       SER  26   8.822   0.732 -11.995
    3    HB2  SER  26           HB2      SER  26   8.707   0.648 -14.511
    4    HB3  SER  26           HB3      SER  26   8.060  -0.779 -13.701
    5    HG   SER  26           HG       SER  26   6.620  -0.141 -15.288

  No H/Q in entry =           5
  In of MODEL    1
    1    H    VAL  27           H        VAL  27   5.996   2.607 -12.880
    2    HA   VAL  27           HA       VAL  27   7.593   4.870 -13.746
    3    HB   VAL  27           HB       VAL  27   5.488   4.362 -14.909
    4   HG12  VAL  27          HG11      VAL  27   3.785   5.413 -12.757
    5   HG11  VAL  27          HG12      VAL  27   4.456   3.808 -12.468
    6   HG13  VAL  27          HG13      VAL  27   3.488   4.112 -13.910
    7   HG22  VAL  27          HG21      VAL  27   4.717   6.588 -15.107
    8   HG21  VAL  27          HG22      VAL  27   6.427   6.703 -14.690
    9   HG23  VAL  27          HG23      VAL  27   5.197   6.980 -13.456

  No H/Q in entry =           9
  In of MODEL    1
    1    H    SER  28           H        SER  28   6.147   3.715 -10.853
    2    HA   SER  28           HA       SER  28   7.194   5.909  -9.347
    3    HB2  SER  28           HB2      SER  28   4.207   5.572  -9.152
    4    HB3  SER  28           HB3      SER  28   5.207   6.896  -8.553
    5    HG   SER  28           HG       SER  28   3.944   6.770 -10.847

  No H/Q in entry =           5
  In of MODEL    1
    1    H    SER  29           H        SER  29   8.072   4.877  -7.682
    2    HA   SER  29           HA       SER  29   6.729   2.495  -6.614
    3    HB2  SER  29           HB2      SER  29   9.034   2.272  -5.403
    4    HB3  SER  29           HB3      SER  29   8.921   1.876  -7.118
    5    HG   SER  29           HG       SER  29  10.612   3.213  -7.056

  No H/Q in entry =           5
  In of MODEL    1
    1    H    HIS  30           H        HIS  30   5.911   2.442  -4.614
    2    HA   HIS  30           HA       HIS  30   6.545   4.644  -2.774
    3    HB2  HIS  30           HB2      HIS  30   3.764   3.525  -3.157
    4    HB3  HIS  30           HB3      HIS  30   4.233   4.916  -2.185
    5    HD1  HIS  30           HD1      HIS  30   3.364   6.939  -3.294
    6    HD2  HIS  30           HD2      HIS  30   4.846   4.198  -6.041
    7    HE1  HIS  30           HE1      HIS  30   3.134   8.048  -5.539
    8    HE2  HIS  30           HE2      HIS  30   3.895   6.309  -7.193

  No H/Q in entry =           8
  In of MODEL    1
    1    H    TYR  31           H        TYR  31   4.987   3.918  -0.651
    2    HA   TYR  31           HA       TYR  31   5.468   1.116  -0.051
    3    HB2  TYR  31           HB2      TYR  31   7.057   3.351   1.076
    4    HB3  TYR  31           HB3      TYR  31   6.508   2.133   2.222
    5    HD1  TYR  31           HD1      TYR  31   7.581   0.040   2.368
    6    HD2  TYR  31           HD2      TYR  31   8.441   2.617  -0.905
    7    HE1  TYR  31           HE1      TYR  31   9.447  -1.422   1.716
    8    HE2  TYR  31           HE2      TYR  31  10.309   1.163  -1.568
    9    HH   TYR  31           HH       TYR  31  10.692  -1.849  -0.706

  No H/Q in entry =           9
  In of MODEL    1
    1    H    CYS  32           H        CYS  32   4.397   0.406   1.894
    2    HA   CYS  32           HA       CYS  32   2.022   1.996   2.449
    3    HB2  CYS  32           HB2      CYS  32   2.311  -0.662   2.003
    4    HB3  CYS  32           HB3      CYS  32   2.364  -0.634   3.761

  No H/Q in entry =           4
  In of MODEL    1
    1    H    THR  33           H        THR  33   1.395   2.637   4.513
    2    HA   THR  33           HA       THR  33   3.583   2.707   6.476
    3    HB   THR  33           HB       THR  33   2.647   4.728   7.335
    4    HG1  THR  33           HG1      THR  33   0.662   5.530   6.540
    5   HG23  THR  33          HG21      THR  33   3.893   5.164   5.337
    6   HG22  THR  33          HG22      THR  33   2.475   6.212   5.372
    7   HG21  THR  33          HG23      THR  33   2.493   4.787   4.333

  No H/Q in entry =           7
  In of MODEL    1
    1    H    GLY  34           H        GLY  34   1.481   0.576   6.000
    2    HA3  GLY  34           HA2      GLY  34   0.056  -0.753   7.230
    3    HA2  GLY  34           HA3      GLY  34   1.127  -0.343   8.560

  No H/Q in entry =           3
  In of MODEL    1
    1    H    ARG  35           H        ARG  35  -0.739   2.111   6.937
    2    HA   ARG  35           HA       ARG  35  -2.434   2.332   9.338
    3    HB2  ARG  35           HB2      ARG  35  -1.072   4.373   7.648
    4    HB3  ARG  35           HB3      ARG  35  -2.624   4.796   8.357
    5    HG2  ARG  35           HG2      ARG  35  -1.551   3.945  10.565
    6    HG3  ARG  35           HG3      ARG  35  -0.031   4.195   9.703
    7    HD2  ARG  35           HD2      ARG  35  -0.545   6.511   9.350
    8    HD3  ARG  35           HD3      ARG  35  -2.169   6.297  10.001
    9    HE   ARG  35           HE       ARG  35  -1.306   6.443  12.118
   10   HH11  ARG  35          HH11      ARG  35   1.307   5.935   9.861
   11   HH12  ARG  35          HH12      ARG  35   2.545   6.208  11.040
   12   HH21  ARG  35          HH21      ARG  35   0.321   6.803  13.670
   13   HH22  ARG  35          HH22      ARG  35   1.986   6.700  13.203

  No H/Q in entry =          13
  In of MODEL    1
    1    H    SER  36           H        SER  36  -2.360   2.218   5.860
    2    HA   SER  36           HA       SER  36  -5.253   1.886   5.827
    3    HB2  SER  36           HB2      SER  36  -4.873   4.306   5.423
    4    HB3  SER  36           HB3      SER  36  -3.870   3.895   4.033
    5    HG   SER  36           HG       SER  36  -5.653   3.827   2.945

  No H/Q in entry =           5
  In of MODEL    1
    1    H    CYS  37           H        CYS  37  -5.952   1.362   3.469
    2    HA   CYS  37           HA       CYS  37  -4.040  -0.622   2.463
    3    HB2  CYS  37           HB2      CYS  37  -6.997  -0.468   2.585
    4    HB3  CYS  37           HB3      CYS  37  -6.312  -1.246   1.165

  No H/Q in entry =           4
  In of MODEL    1
    1    H    GLU  38           H        GLU  38  -4.282   2.382   1.868
    2    HA   GLU  38           HA       GLU  38  -4.225   2.097  -1.062
    3    HB2  GLU  38           HB2      GLU  38  -5.460   4.279   0.605
    4    HB3  GLU  38           HB3      GLU  38  -4.986   4.555  -1.066
    5    HG2  GLU  38           HG2      GLU  38  -6.629   2.166  -0.631
    6    HG3  GLU  38           HG3      GLU  38  -7.426   3.697  -0.271

  No H/Q in entry =           6
  In of MODEL    1
    1    H    CYS  39           H        CYS  39  -2.106   2.149  -1.509
    2    HA   CYS  39           HA       CYS  39  -0.069   3.315  -0.065
    3    HB2  CYS  39           HB2      CYS  39  -0.104   3.096  -3.080
    4    HB3  CYS  39           HB3      CYS  39   1.308   3.105  -2.030

  No H/Q in entry =           4
  In of MODEL    1
    1    HA   PRO  40           HA       PRO  40  -0.508   7.677  -0.619
    2    HB2  PRO  40           HB2      PRO  40   2.069   8.468  -0.289
    3    HB3  PRO  40           HB3      PRO  40   1.049   7.932   1.051
    4    HG2  PRO  40           HG2      PRO  40   3.127   6.410  -0.475
    5    HG3  PRO  40           HG3      PRO  40   2.825   6.446   1.272
    6    HD2  PRO  40           HD2      PRO  40   1.967   4.425  -0.309
    7    HD3  PRO  40           HD3      PRO  40   1.070   4.957   1.128

  No H/Q in entry =           7
  In of MODEL    1
    1    H    SER  41           H        SER  41   0.509   9.535  -1.872
    2    HA   SER  41           HA       SER  41   1.036   8.604  -4.597
    3    HB2  SER  41           HB2      SER  41   0.203  10.661  -5.368
    4    HB3  SER  41           HB3      SER  41  -0.820  10.295  -3.979
    5    HG   SER  41           HG       SER  41   0.526  12.471  -4.349

  No H/Q in entry =           5
  In of MODEL    1
    1    H    TYR  42           H        TYR  42   3.069   8.689  -2.418
    2    HA   TYR  42           HA       TYR  42   5.095  10.149  -3.928
    3    HB2  TYR  42           HB2      TYR  42   6.021  11.209  -1.944
    4    HB3  TYR  42           HB3      TYR  42   4.338  11.687  -2.142
    5    HD1  TYR  42           HD1      TYR  42   6.648   9.592  -0.174
    6    HD2  TYR  42           HD2      TYR  42   2.695  11.128  -0.501
    7    HE1  TYR  42           HE1      TYR  42   6.179   8.855   2.124
    8    HE2  TYR  42           HE2      TYR  42   2.214  10.396   1.797
    9    HH   TYR  42           HH       TYR  42   3.423   8.338   3.364

  No H/Q in entry =           9
  In of MODEL    1
    1    HA   PRO  43           HA       PRO  43   7.441   6.498  -3.115
    2    HB2  PRO  43           HB2      PRO  43   9.962   7.441  -3.411
    3    HB3  PRO  43           HB3      PRO  43   8.864   7.213  -4.777
    4    HG2  PRO  43           HG2      PRO  43   9.537   9.722  -3.287
    5    HG3  PRO  43           HG3      PRO  43   9.378   9.467  -5.035
    6    HD2  PRO  43           HD2      PRO  43   7.413  10.576  -3.532
    7    HD3  PRO  43           HD3      PRO  43   7.078   9.592  -4.971

  No H/Q in entry =           7
  In of MODEL    1
    1    H    GLY  44           H        GLY  44   8.170   5.460  -1.347
    2    HA3  GLY  44           HA2      GLY  44   8.829   7.096   1.002
    3    HA2  GLY  44           HA3      GLY  44   8.293   5.423   1.035

  No H/Q in entry =           3
  In of MODEL    1
    1    H    ASN  45           H        ASN  45  11.004   7.488   0.054
    2    HA   ASN  45           HA       ASN  45  12.829   5.369   0.934
    3    HB2  ASN  45           HB2      ASN  45  12.660   6.586  -1.776
    4    HB3  ASN  45           HB3      ASN  45  14.269   6.293  -1.123
    5   HD21  ASN  45          HD21      ASN  45  13.289   5.021  -3.387
    6   HD22  ASN  45          HD22      ASN  45  13.114   3.336  -3.047

  No H/Q in entry =           6
  In of MODEL    1
    1    H    GLY  46           H        GLY  46  11.946   7.858   2.161
    2    HA3  GLY  46           HA2      GLY  46  14.599   9.083   2.481
    3    HA2  GLY  46           HA3      GLY  46  13.217  10.119   2.158

  No H/Q in entry =           3
  In of MODEL    2
    1    H1   ALA   1           H2       ALA   1 -19.514  -3.998   9.913
    2    H2   ALA   1           H1       ALA   1 -18.181  -2.969  10.245
    3    H3   ALA   1           H3       ALA   1 -19.680  -2.297   9.755
    4    HA   ALA   1           HA       ALA   1 -19.475  -3.025   7.623
    5    HB3  ALA   1           HB1      ALA   1 -17.153  -2.309   6.959
    6    HB1  ALA   1           HB2      ALA   1 -16.798  -2.148   8.679
    7    HB2  ALA   1           HB3      ALA   1 -18.056  -1.156   7.942

  No H/Q in entry =           7
  In of MODEL    2
    1    H    MET   2           H        MET   2 -18.707  -4.454   6.050
    2    HA   MET   2           HA       MET   2 -17.060  -6.688   7.020
    3    HB2  MET   2           HB2      MET   2 -19.720  -6.973   6.743
    4    HB3  MET   2           HB3      MET   2 -19.224  -7.324   5.093
    5    HG2  MET   2           HG2      MET   2 -19.031  -9.417   5.853
    6    HG3  MET   2           HG3      MET   2 -17.476  -8.854   6.465
    7    HE1  MET   2           HE1      MET   2 -21.215  -9.231   7.191
    8    HE3  MET   2           HE2      MET   2 -21.003  -7.738   8.105
    9    HE2  MET   2           HE3      MET   2 -21.328  -9.251   8.951

  No H/Q in entry =           9
  In of MODEL    2
    1    H    ASP   3           H        ASP   3 -16.260  -4.430   5.466
    2    HA   ASP   3           HA       ASP   3 -16.048  -5.341   2.722
    3    HB2  ASP   3           HB2      ASP   3 -14.805  -3.238   2.363
    4    HB3  ASP   3           HB3      ASP   3 -16.360  -2.957   3.141

  No H/Q in entry =           4
  In of MODEL    2
    1    H    CYS   4           H        CYS   4 -13.998  -5.614   1.643
    2    HA   CYS   4           HA       CYS   4 -11.986  -6.794   3.426
    3    HB2  CYS   4           HB2      CYS   4 -13.133  -7.606   0.907
    4    HB3  CYS   4           HB3      CYS   4 -11.384  -7.476   0.762

  No H/Q in entry =           4
  In of MODEL    2
    1    H    THR   5           H        THR   5 -12.542  -4.108   1.441
    2    HA   THR   5           HA       THR   5 -11.259  -2.395   0.711
    3    HB   THR   5           HB       THR   5 -10.479  -2.771   3.202
    4    HG1  THR   5           HG1      THR   5  -9.282  -0.918   2.984
    5   HG22  THR   5          HG21      THR   5  -7.889  -2.701   3.123
    6   HG21  THR   5          HG22      THR   5  -8.085  -3.649   1.653
    7   HG23  THR   5          HG23      THR   5  -8.723  -4.250   3.181

  No H/Q in entry =           7
  In of MODEL    2
    1    H    THR   6           H        THR   6 -10.151  -2.090  -1.112
    2    HA   THR   6           HA       THR   6  -8.056  -3.997  -1.852
    3    HB   THR   6           HB       THR   6  -9.853  -3.227  -4.064
    4    HG1  THR   6           HG1      THR   6 -11.410  -4.753  -3.490
    5   HG22  THR   6          HG21      THR   6  -9.628  -5.654  -4.593
    6   HG21  THR   6          HG22      THR   6  -8.546  -5.792  -3.207
    7   HG23  THR   6          HG23      THR   6  -8.111  -4.755  -4.566

  No H/Q in entry =           7
  In of MODEL    2
    1    H    GLY   7           H        GLY   7  -6.737  -3.249  -3.687
    2    HA3  GLY   7           HA2      GLY   7  -6.662  -1.007  -5.090
    3    HA2  GLY   7           HA3      GLY   7  -6.331  -0.365  -3.489

  No H/Q in entry =           3
  In of MODEL    2
    1    HA   PRO   8           HA       PRO   8  -2.255  -1.500  -5.349
    2    HB2  PRO   8           HB2      PRO   8  -0.941   0.728  -4.580
    3    HB3  PRO   8           HB3      PRO   8  -1.933   0.676  -6.042
    4    HG2  PRO   8           HG2      PRO   8  -2.609   1.757  -3.332
    5    HG3  PRO   8           HG3      PRO   8  -2.932   2.458  -4.929
    6    HD2  PRO   8           HD2      PRO   8  -4.811   1.113  -3.495
    7    HD3  PRO   8           HD3      PRO   8  -4.788   1.142  -5.270

  No H/Q in entry =           7
  In of MODEL    2
    1    H    CYS   9           H        CYS   9  -3.253  -0.432  -2.177
    2    HA   CYS   9           HA       CYS   9  -0.828  -1.522  -0.953
    3    HB2  CYS   9           HB2      CYS   9  -2.780   0.512  -0.220
    4    HB3  CYS   9           HB3      CYS   9  -2.475  -0.615   1.096

  No H/Q in entry =           4
  In of MODEL    2
    1    H    CYS  10           H        CYS  10  -4.278  -2.070  -1.200
    2    HA   CYS  10           HA       CYS  10  -4.075  -4.389   0.582
    3    HB2  CYS  10           HB2      CYS  10  -6.624  -3.395  -0.664
    4    HB3  CYS  10           HB3      CYS  10  -6.410  -4.316   0.820

  No H/Q in entry =           4
  In of MODEL    2
    1    H    ARG  11           H        ARG  11  -5.088  -6.415  -0.089
    2    HA   ARG  11           HA       ARG  11  -5.831  -6.959  -2.749
    3    HB2  ARG  11           HB2      ARG  11  -2.966  -7.001  -2.174
    4    HB3  ARG  11           HB3      ARG  11  -3.551  -8.523  -2.832
    5    HG2  ARG  11           HG2      ARG  11  -3.938  -7.649  -4.869
    6    HG3  ARG  11           HG3      ARG  11  -4.475  -6.098  -4.222
    7    HD2  ARG  11           HD2      ARG  11  -2.468  -5.618  -5.334
    8    HD3  ARG  11           HD3      ARG  11  -2.030  -5.690  -3.627
    9    HE   ARG  11           HE       ARG  11  -1.559  -8.208  -4.485
   10   HH11  ARG  11          HH11      ARG  11  -0.571  -5.072  -5.654
   11   HH12  ARG  11          HH12      ARG  11   0.926  -5.648  -6.306
   12   HH21  ARG  11          HH21      ARG  11   0.410  -8.968  -5.341
   13   HH22  ARG  11          HH22      ARG  11   1.483  -7.860  -6.129

  No H/Q in entry =          13
  In of MODEL    2
    1    H    GLN  12           H        GLN  12  -4.269  -8.263   0.143
    2    HA   GLN  12           HA       GLN  12  -5.648 -10.814  -0.201
    3    HB2  GLN  12           HB2      GLN  12  -3.452  -9.823   1.574
    4    HB3  GLN  12           HB3      GLN  12  -4.329 -11.287   1.995
    5    HG2  GLN  12           HG2      GLN  12  -3.749 -11.906  -0.515
    6    HG3  GLN  12           HG3      GLN  12  -2.425 -10.781  -0.217
    7   HE21  GLN  12          HE21      GLN  12  -0.671 -11.535   0.749
    8   HE22  GLN  12          HE22      GLN  12  -0.545 -13.047   1.574

  No H/Q in entry =           8
  In of MODEL    2
    1    H    CYS  13           H        CYS  13  -6.780  -8.072   0.716
    2    HA   CYS  13           HA       CYS  13  -8.610  -7.473   1.940
    3    HB2  CYS  13           HB2      CYS  13  -9.331  -9.875   1.722
    4    HB3  CYS  13           HB3      CYS  13  -8.504 -10.201   3.242

  No H/Q in entry =           4
  In of MODEL    2
    1    H    LYS  14           H        LYS  14  -5.778  -7.226   2.748
    2    HA   LYS  14           HA       LYS  14  -6.265  -6.253   5.413
    3    HB2  LYS  14           HB2      LYS  14  -4.754  -8.741   4.924
    4    HB3  LYS  14           HB3      LYS  14  -3.954  -7.578   5.972
    5    HG2  LYS  14           HG2      LYS  14  -6.788  -8.091   6.576
    6    HG3  LYS  14           HG3      LYS  14  -5.686  -9.446   6.835
    7    HD2  LYS  14           HD2      LYS  14  -4.625  -8.426   8.559
    8    HD3  LYS  14           HD3      LYS  14  -4.792  -6.819   7.850
    9    HE2  LYS  14           HE2      LYS  14  -6.264  -6.569   9.555
   10    HE3  LYS  14           HE3      LYS  14  -7.360  -7.305   8.387
   11    HZ1  LYS  14           HZ1      LYS  14  -6.384  -9.480   9.521
   12    HZ3  LYS  14           HZ2      LYS  14  -7.744  -8.675  10.122
   13    HZ2  LYS  14           HZ3      LYS  14  -6.228  -8.418  10.829

  No H/Q in entry =          13
  In of MODEL    2
    1    H    LEU  15           H        LEU  15  -5.601  -4.234   5.009
    2    HA   LEU  15           HA       LEU  15  -3.895  -3.227   3.186
    3    HB2  LEU  15           HB2      LEU  15  -3.230  -1.568   5.170
    4    HB3  LEU  15           HB3      LEU  15  -4.785  -1.514   4.362
    5    HG   LEU  15           HG       LEU  15  -4.634  -3.288   6.721
    6   HD12  LEU  15          HD11      LEU  15  -5.074  -1.198   8.160
    7   HD11  LEU  15          HD12      LEU  15  -4.238  -0.325   6.875
    8   HD13  LEU  15          HD13      LEU  15  -3.408  -1.609   7.754
    9   HD23  LEU  15          HD21      LEU  15  -6.667  -1.164   6.313
   10   HD22  LEU  15          HD22      LEU  15  -6.857  -2.819   6.891
   11   HD21  LEU  15          HD23      LEU  15  -6.633  -2.507   5.169

  No H/Q in entry =          11
  In of MODEL    2
    1    H    LYS  16           H        LYS  16  -1.892  -3.670   2.615
    2    HA   LYS  16           HA       LYS  16  -0.123  -5.347   3.775
    3    HB2  LYS  16           HB2      LYS  16   0.157  -3.063   1.913
    4    HB3  LYS  16           HB3      LYS  16   1.642  -3.627   2.669
    5    HG2  LYS  16           HG2      LYS  16   1.345  -5.822   1.779
    6    HG3  LYS  16           HG3      LYS  16  -0.269  -5.420   1.191
    7    HD2  LYS  16           HD2      LYS  16   1.815  -3.616   0.219
    8    HD3  LYS  16           HD3      LYS  16   2.045  -5.293  -0.279
    9    HE2  LYS  16           HE2      LYS  16  -0.603  -4.987  -0.742
   10    HE3  LYS  16           HE3      LYS  16  -0.027  -3.350  -1.053
   11    HZ3  LYS  16           HZ1      LYS  16   1.339  -4.075  -2.768
   12    HZ2  LYS  16           HZ2      LYS  16  -0.065  -4.992  -2.985
   13    HZ1  LYS  16           HZ3      LYS  16   1.299  -5.692  -2.270

  No H/Q in entry =          13
  In of MODEL    2
    1    HA   PRO  17           HA       PRO  17   1.436  -3.692   7.556
    2    HB2  PRO  17           HB2      PRO  17   4.112  -4.597   6.642
    3    HB3  PRO  17           HB3      PRO  17   3.232  -4.997   8.121
    4    HG2  PRO  17           HG2      PRO  17   3.460  -6.763   6.133
    5    HG3  PRO  17           HG3      PRO  17   1.969  -6.635   7.085
    6    HD2  PRO  17           HD2      PRO  17   2.553  -5.649   4.327
    7    HD3  PRO  17           HD3      PRO  17   1.053  -6.330   4.991

  No H/Q in entry =           7
  In of MODEL    2
    1    H    ALA  18           H        ALA  18   2.128  -1.738   8.195
    2    HA   ALA  18           HA       ALA  18   2.889   0.247   6.386
    3    HB2  ALA  18           HB1      ALA  18   3.112   1.681   8.231
    4    HB1  ALA  18           HB2      ALA  18   3.534   0.358   9.317
    5    HB3  ALA  18           HB3      ALA  18   1.883   0.512   8.715

  No H/Q in entry =           5
  In of MODEL    2
    1    H    GLY  19           H        GLY  19   4.721   0.365   5.272
    2    HA3  GLY  19           HA2      GLY  19   7.108   0.926   5.458
    3    HA2  GLY  19           HA3      GLY  19   7.234  -0.361   6.648

  No H/Q in entry =           3
  In of MODEL    2
    1    H    THR  20           H        THR  20   5.218  -0.983   3.941
    2    HA   THR  20           HA       THR  20   7.368  -2.496   2.625
    3    HB   THR  20           HB       THR  20   4.531  -3.424   3.120
    4    HG1  THR  20           HG1      THR  20   7.023  -4.327   4.123
    5   HG23  THR  20          HG21      THR  20   4.776  -5.109   1.694
    6   HG22  THR  20          HG22      THR  20   6.447  -5.397   2.178
    7   HG21  THR  20          HG23      THR  20   6.076  -4.152   0.986

  No H/Q in entry =           7
  In of MODEL    2
    1    H    THR  21           H        THR  21   7.448  -2.328   0.444
    2    HA   THR  21           HA       THR  21   6.223  -0.239  -0.887
    3    HB   THR  21           HB       THR  21   6.753  -2.247  -2.821
    4    HG1  THR  21           HG1      THR  21   8.317  -3.376  -2.024
    5   HG23  THR  21          HG21      THR  21   7.546  -0.300  -3.572
    6   HG22  THR  21          HG22      THR  21   9.028  -0.798  -2.754
    7   HG21  THR  21          HG23      THR  21   7.903   0.300  -1.952

  No H/Q in entry =           7
  In of MODEL    2
    1    H    CYS  22           H        CYS  22   4.319   0.094  -1.828
    2    HA   CYS  22           HA       CYS  22   2.452  -2.173  -1.963
    3    HB2  CYS  22           HB2      CYS  22   0.650  -0.562  -1.729
    4    HB3  CYS  22           HB3      CYS  22   1.802  -0.363  -0.414

  No H/Q in entry =           4
  In of MODEL    2
    1    H    TRP  23           H        TRP  23   3.927   0.411  -3.766
    2    HA   TRP  23           HA       TRP  23   2.323  -0.320  -6.116
    3    HB2  TRP  23           HB2      TRP  23   2.769   2.169  -5.104
    4    HB3  TRP  23           HB3      TRP  23   4.048   2.058  -6.309
    5    HD1  TRP  23           HD1      TRP  23   1.645   0.064  -7.928
    6    HE1  TRP  23           HE1      TRP  23   0.090   1.400  -9.484
    7    HE3  TRP  23           HE3      TRP  23   2.544   4.763  -6.130
    8    HZ2  TRP  23           HZ2      TRP  23  -0.655   4.087  -9.893
    9    HZ3  TRP  23           HZ3      TRP  23   1.371   6.664  -7.162
   10    HH2  TRP  23           HH2      TRP  23  -0.193   6.330  -9.007

  No H/Q in entry =          10
  In of MODEL    2
    1    H    LYS  24           H        LYS  24   5.573   1.034  -5.694
    2    HA   LYS  24           HA       LYS  24   7.561   0.551  -6.695
    3    HB2  LYS  24           HB2      LYS  24   7.283  -1.480  -5.295
    4    HB3  LYS  24           HB3      LYS  24   6.499  -2.279  -6.650
    5    HG2  LYS  24           HG2      LYS  24   8.452  -2.512  -7.825
    6    HG3  LYS  24           HG3      LYS  24   9.218  -1.131  -7.037
    7    HD2  LYS  24           HD2      LYS  24  10.326  -2.967  -6.122
    8    HD3  LYS  24           HD3      LYS  24   9.118  -2.564  -4.901
    9    HE2  LYS  24           HE2      LYS  24   8.922  -4.869  -5.080
   10    HE3  LYS  24           HE3      LYS  24   7.636  -4.283  -6.133
   11    HZ1  LYS  24           HZ1      LYS  24   9.281  -4.521  -7.999
   12    HZ3  LYS  24           HZ2      LYS  24   8.747  -5.970  -7.311
   13    HZ2  LYS  24           HZ3      LYS  24  10.278  -5.365  -6.923

  No H/Q in entry =          13
  In of MODEL    2
    1    H    THR  25           H        THR  25   5.337   1.272  -8.400
    2    HA   THR  25           HA       THR  25   5.073  -0.280 -10.689
    3    HB   THR  25           HB       THR  25   3.693   1.714 -10.166
    4    HG1  THR  25           HG1      THR  25   3.252   1.667 -12.199
    5   HG22  THR  25          HG21      THR  25   5.357   3.659 -11.468
    6   HG21  THR  25          HG22      THR  25   6.110   3.058  -9.992
    7   HG23  THR  25          HG23      THR  25   4.493   3.757  -9.933

  No H/Q in entry =           7
  In of MODEL    2
    1    H    SER  26           H        SER  26   5.832   0.675 -12.915
    2    HA   SER  26           HA       SER  26   8.556   0.071 -13.150
    3    HB2  SER  26           HB2      SER  26   7.159  -0.311 -15.035
    4    HB3  SER  26           HB3      SER  26   6.612   1.366 -15.058
    5    HG   SER  26           HG       SER  26   8.443   0.505 -16.535

  No H/Q in entry =           5
  In of MODEL    2
    1    H    VAL  27           H        VAL  27   7.004   3.086 -12.446
    2    HA   VAL  27           HA       VAL  27   9.598   4.364 -12.250
    3    HB   VAL  27           HB       VAL  27   7.483   5.641 -13.986
    4   HG12  VAL  27          HG11      VAL  27   9.710   6.953 -14.591
    5   HG11  VAL  27          HG12      VAL  27  10.135   6.472 -12.948
    6   HG13  VAL  27          HG13      VAL  27   8.681   7.426 -13.239
    7   HG21  VAL  27          HG21      VAL  27  10.006   4.186 -14.771
    8   HG23  VAL  27          HG22      VAL  27   9.057   5.199 -15.859
    9   HG22  VAL  27          HG23      VAL  27   8.348   3.738 -15.172

  No H/Q in entry =           9
  In of MODEL    2
    1    H    SER  28           H        SER  28   7.956   3.701 -10.189
    2    HA   SER  28           HA       SER  28   7.718   6.035  -8.727
    3    HB2  SER  28           HB2      SER  28   5.479   5.646 -10.513
    4    HB3  SER  28           HB3      SER  28   4.939   5.605  -8.835
    5    HG   SER  28           HG       SER  28   5.883   7.701 -10.327

  No H/Q in entry =           5
  In of MODEL    2
    1    H    SER  29           H        SER  29   8.640   4.556  -7.256
    2    HA   SER  29           HA       SER  29   6.941   2.387  -6.289
    3    HB2  SER  29           HB2      SER  29   9.775   3.127  -5.515
    4    HB3  SER  29           HB3      SER  29   8.910   1.677  -5.005
    5    HG   SER  29           HG       SER  29   9.335   2.312  -7.729

  No H/Q in entry =           5
  In of MODEL    2
    1    H    HIS  30           H        HIS  30   5.888   2.420  -4.393
    2    HA   HIS  30           HA       HIS  30   6.481   4.568  -2.483
    3    HB2  HIS  30           HB2      HIS  30   3.704   3.788  -3.400
    4    HB3  HIS  30           HB3      HIS  30   4.085   4.982  -2.162
    5    HD1  HIS  30           HD1      HIS  30   3.810   7.263  -3.047
    6    HD2  HIS  30           HD2      HIS  30   5.229   4.653  -5.951
    7    HE1  HIS  30           HE1      HIS  30   4.108   8.659  -5.118
    8    HE2  HIS  30           HE2      HIS  30   5.049   7.076  -6.837

  No H/Q in entry =           8
  In of MODEL    2
    1    H    TYR  31           H        TYR  31   5.755   4.145  -0.313
    2    HA   TYR  31           HA       TYR  31   5.586   1.263   0.243
    3    HB2  TYR  31           HB2      TYR  31   6.776   3.571   1.739
    4    HB3  TYR  31           HB3      TYR  31   6.276   2.128   2.615
    5    HD1  TYR  31           HD1      TYR  31   8.585   3.441   0.062
    6    HD2  TYR  31           HD2      TYR  31   7.527   0.093   2.463
    7    HE1  TYR  31           HE1      TYR  31  10.715   2.360  -0.519
    8    HE2  TYR  31           HE2      TYR  31   9.655  -0.997   1.892
    9    HH   TYR  31           HH       TYR  31  11.987  -0.203   1.134

  No H/Q in entry =           9
  In of MODEL    2
    1    H    CYS  32           H        CYS  32   4.225   0.549   1.991
    2    HA   CYS  32           HA       CYS  32   1.769   2.118   2.145
    3    HB2  CYS  32           HB2      CYS  32   2.024  -0.459   1.570
    4    HB3  CYS  32           HB3      CYS  32   2.004  -0.615   3.323

  No H/Q in entry =           4
  In of MODEL    2
    1    H    THR  33           H        THR  33   0.692   2.466   4.143
    2    HA   THR  33           HA       THR  33   2.519   2.527   6.452
    3    HB   THR  33           HB       THR  33   1.446   4.496   7.218
    4    HG1  THR  33           HG1      THR  33  -0.498   4.125   5.188
    5   HG23  THR  33          HG21      THR  33   2.269   5.921   5.734
    6   HG22  THR  33          HG22      THR  33   1.148   5.389   4.481
    7   HG21  THR  33          HG23      THR  33   2.655   4.511   4.747

  No H/Q in entry =           7
  In of MODEL    2
    1    H    GLY  34           H        GLY  34   0.532   0.438   5.432
    2    HA3  GLY  34           HA2      GLY  34  -1.093  -0.958   6.282
    3    HA2  GLY  34           HA3      GLY  34  -0.235  -0.710   7.794

  No H/Q in entry =           3
  In of MODEL    2
    1    H    ARG  35           H        ARG  35  -2.263   1.454   5.815
    2    HA   ARG  35           HA       ARG  35  -4.089   1.692   8.105
    3    HB2  ARG  35           HB2      ARG  35  -2.617   3.833   6.663
    4    HB3  ARG  35           HB3      ARG  35  -4.271   4.177   7.149
    5    HG2  ARG  35           HG2      ARG  35  -2.584   2.990   9.239
    6    HG3  ARG  35           HG3      ARG  35  -2.099   4.598   8.698
    7    HD2  ARG  35           HD2      ARG  35  -3.686   4.591  10.625
    8    HD3  ARG  35           HD3      ARG  35  -4.246   5.500   9.222
    9    HE   ARG  35           HE       ARG  35  -5.343   3.060   8.846
   10   HH11  ARG  35          HH11      ARG  35  -5.326   5.269  11.547
   11   HH12  ARG  35          HH12      ARG  35  -6.874   4.761  12.134
   12   HH21  ARG  35          HH21      ARG  35  -7.380   2.391   9.615
   13   HH22  ARG  35          HH22      ARG  35  -8.040   3.127  11.037

  No H/Q in entry =          13
  In of MODEL    2
    1    H    SER  36           H        SER  36  -3.652   2.325   4.648
    2    HA   SER  36           HA       SER  36  -6.313   1.307   4.120
    3    HB2  SER  36           HB2      SER  36  -5.618   4.190   3.934
    4    HB3  SER  36           HB3      SER  36  -6.576   3.516   2.615
    5    HG   SER  36           HG       SER  36  -7.203   3.690   5.357

  No H/Q in entry =           5
  In of MODEL    2
    1    H    CYS  37           H        CYS  37  -6.762   1.491   1.658
    2    HA   CYS  37           HA       CYS  37  -4.606   0.176   0.332
    3    HB2  CYS  37           HB2      CYS  37  -7.170   1.224  -0.876
    4    HB3  CYS  37           HB3      CYS  37  -6.112  -0.010  -1.551

  No H/Q in entry =           4
  In of MODEL    2
    1    H    GLU  38           H        GLU  38  -5.574   3.453   0.628
    2    HA   GLU  38           HA       GLU  38  -4.559   4.450  -1.822
    3    HB2  GLU  38           HB2      GLU  38  -6.066   5.533   0.104
    4    HB3  GLU  38           HB3      GLU  38  -4.506   6.175   0.599
    5    HG2  GLU  38           HG2      GLU  38  -5.491   6.450  -2.216
    6    HG3  GLU  38           HG3      GLU  38  -5.955   7.590  -0.954

  No H/Q in entry =           6
  In of MODEL    2
    1    H    CYS  39           H        CYS  39  -2.517   4.478  -2.469
    2    HA   CYS  39           HA       CYS  39  -0.369   4.181  -0.537
    3    HB2  CYS  39           HB2      CYS  39  -0.484   4.109  -3.547
    4    HB3  CYS  39           HB3      CYS  39   1.047   4.125  -2.679

  No H/Q in entry =           4
  In of MODEL    2
    1    HA   PRO  40           HA       PRO  40   0.699   8.455  -0.167
    2    HB2  PRO  40           HB2      PRO  40   3.511   7.495  -0.358
    3    HB3  PRO  40           HB3      PRO  40   2.747   8.501   0.877
    4    HG2  PRO  40           HG2      PRO  40   3.303   5.942   1.361
    5    HG3  PRO  40           HG3      PRO  40   1.808   6.681   1.966
    6    HD2  PRO  40           HD2      PRO  40   2.210   4.826  -0.338
    7    HD3  PRO  40           HD3      PRO  40   0.862   4.923   0.813

  No H/Q in entry =           7
  In of MODEL    2
    1    H    SER  41           H        SER  41   2.110  10.123  -1.247
    2    HA   SER  41           HA       SER  41   2.251   9.539  -4.124
    3    HB2  SER  41           HB2      SER  41   2.318  12.317  -2.984
    4    HB3  SER  41           HB3      SER  41   1.745  11.776  -4.562
    5    HG   SER  41           HG       SER  41   0.305  12.209  -2.420

  No H/Q in entry =           5
  In of MODEL    2
    1    H    TYR  42           H        TYR  42   4.334   8.923  -2.095
    2    HA   TYR  42           HA       TYR  42   6.571   9.928  -3.586
    3    HB2  TYR  42           HB2      TYR  42   7.709  11.043  -1.760
    4    HB3  TYR  42           HB3      TYR  42   6.137  11.796  -2.007
    5    HD1  TYR  42           HD1      TYR  42   4.419  11.662  -0.322
    6    HD2  TYR  42           HD2      TYR  42   8.133   9.659   0.219
    7    HE1  TYR  42           HE1      TYR  42   3.880  11.316   2.052
    8    HE2  TYR  42           HE2      TYR  42   7.604   9.307   2.594
    9    HH   TYR  42           HH       TYR  42   4.989  10.883   4.149

  No H/Q in entry =           9
  In of MODEL    2
    1    HA   PRO  43           HA       PRO  43   8.096   5.941  -2.459
    2    HB2  PRO  43           HB2      PRO  43  10.801   6.470  -2.601
    3    HB3  PRO  43           HB3      PRO  43   9.775   6.088  -3.987
    4    HG2  PRO  43           HG2      PRO  43  10.713   8.746  -2.998
    5    HG3  PRO  43           HG3      PRO  43  10.538   8.164  -4.663
    6    HD2  PRO  43           HD2      PRO  43   8.739   9.818  -3.541
    7    HD3  PRO  43           HD3      PRO  43   8.259   8.556  -4.695

  No H/Q in entry =           7
  In of MODEL    2
    1    H    GLY  44           H        GLY  44  10.582   8.112  -1.180
    2    HA3  GLY  44           HA2      GLY  44  10.634   8.713   1.190
    3    HA2  GLY  44           HA3      GLY  44   9.923   7.142   1.530

  No H/Q in entry =           3
  In of MODEL    2
    1    H    ASN  45           H        ASN  45  12.803   8.577   0.005
    2    HA   ASN  45           HA       ASN  45  14.423   6.299   0.160
    3    HB2  ASN  45           HB2      ASN  45  16.329   7.930  -0.009
    4    HB3  ASN  45           HB3      ASN  45  15.091   8.122  -1.247
    5   HD21  ASN  45          HD21      ASN  45  16.118   9.347   1.903
    6   HD22  ASN  45          HD22      ASN  45  15.565  10.964   1.652

  No H/Q in entry =           6
  In of MODEL    2
    1    H    GLY  46           H        GLY  46  13.623   8.732   2.536
    2    HA3  GLY  46           HA2      GLY  46  15.138   7.178   4.527
    3    HA2  GLY  46           HA3      GLY  46  15.308   8.926   4.467

  No H/Q in entry =           3
  In of MODEL    3
    1    H1   ALA   1           H3       ALA   1 -21.329  -0.749   2.873
    2    H2   ALA   1           H2       ALA   1 -22.337  -1.278   1.588
    3    H3   ALA   1           H1       ALA   1 -22.845  -1.471   3.216
    4    HA   ALA   1           HA       ALA   1 -21.170  -3.028   3.642
    5    HB1  ALA   1           HB1      ALA   1 -22.144  -3.992   1.014
    6    HB3  ALA   1           HB2      ALA   1 -23.353  -3.528   2.211
    7    HB2  ALA   1           HB3      ALA   1 -22.169  -4.778   2.592

  No H/Q in entry =           7
  In of MODEL    3
    1    H    MET   2           H        MET   2 -19.234  -4.002   3.169
    2    HA   MET   2           HA       MET   2 -17.961  -3.795   0.626
    3    HB2  MET   2           HB2      MET   2 -17.750  -1.467   1.822
    4    HB3  MET   2           HB3      MET   2 -16.500  -2.279   2.754
    5    HG2  MET   2           HG2      MET   2 -15.094  -2.475   0.967
    6    HG3  MET   2           HG3      MET   2 -16.408  -2.479  -0.207
    7    HE2  MET   2           HE1      MET   2 -15.315   0.204  -1.895
    8    HE1  MET   2           HE2      MET   2 -14.658  -1.358  -1.406
    9    HE3  MET   2           HE3      MET   2 -13.835   0.130  -0.938

  No H/Q in entry =           9
  In of MODEL    3
    1    H    ASP   3           H        ASP   3 -16.873  -3.808   4.026
    2    HA   ASP   3           HA       ASP   3 -15.681  -5.318   5.238
    3    HB2  ASP   3           HB2      ASP   3 -17.583  -6.813   4.271
    4    HB3  ASP   3           HB3      ASP   3 -16.318  -7.458   3.229

  No H/Q in entry =           4
  In of MODEL    3
    1    H    CYS   4           H        CYS   4 -13.558  -5.768   5.374
    2    HA   CYS   4           HA       CYS   4 -11.369  -5.969   4.791
    3    HB2  CYS   4           HB2      CYS   4 -12.682  -7.328   2.449
    4    HB3  CYS   4           HB3      CYS   4 -10.934  -7.154   2.551

  No H/Q in entry =           4
  In of MODEL    3
    1    H    THR   5           H        THR   5 -10.185  -4.245   4.366
    2    HA   THR   5           HA       THR   5 -10.949  -2.111   2.740
    3    HB   THR   5           HB       THR   5  -8.115  -2.847   3.473
    4    HG1  THR   5           HG1      THR   5 -10.090  -1.505   4.998
    5   HG21  THR   5          HG21      THR   5  -9.438  -0.208   2.915
    6   HG23  THR   5          HG22      THR   5  -8.123  -0.967   2.018
    7   HG22  THR   5          HG23      THR   5  -7.848  -0.380   3.658

  No H/Q in entry =           7
  In of MODEL    3
    1    H    THR   6           H        THR   6  -9.690  -1.285   0.828
    2    HA   THR   6           HA       THR   6  -8.586  -3.379  -0.875
    3    HB   THR   6           HB       THR   6 -10.131  -2.122  -2.716
    4    HG1  THR   6           HG1      THR   6 -11.201  -0.985  -0.969
    5   HG23  THR   6          HG21      THR   6 -10.974  -4.144  -3.054
    6   HG22  THR   6          HG22      THR   6 -11.681  -4.208  -1.439
    7   HG21  THR   6          HG23      THR   6  -9.995  -4.667  -1.683

  No H/Q in entry =           7
  In of MODEL    3
    1    H    GLY   7           H        GLY   7  -6.999  -2.674  -2.206
    2    HA3  GLY   7           HA2      GLY   7  -6.676  -0.224  -3.400
    3    HA2  GLY   7           HA3      GLY   7  -5.981  -0.029  -1.798

  No H/Q in entry =           3
  In of MODEL    3
    1    HA   PRO   8           HA       PRO   8  -2.944  -1.874  -5.030
    2    HB2  PRO   8           HB2      PRO   8  -1.082   0.147  -4.611
    3    HB3  PRO   8           HB3      PRO   8  -2.203   0.058  -5.973
    4    HG2  PRO   8           HG2      PRO   8  -2.417   1.621  -3.439
    5    HG3  PRO   8           HG3      PRO   8  -2.883   2.081  -5.086
    6    HD2  PRO   8           HD2      PRO   8  -4.710   1.339  -3.272
    7    HD3  PRO   8           HD3      PRO   8  -4.876   0.898  -4.985

  No H/Q in entry =           7
  In of MODEL    3
    1    H    CYS   9           H        CYS   9  -2.758  -0.503  -1.810
    2    HA   CYS   9           HA       CYS   9  -0.337  -1.968  -1.160
    3    HB2  CYS   9           HB2      CYS   9  -0.485   0.190  -0.160
    4    HB3  CYS   9           HB3      CYS   9  -2.119  -0.110   0.415

  No H/Q in entry =           4
  In of MODEL    3
    1    H    CYS  10           H        CYS  10  -3.779  -2.256  -0.766
    2    HA   CYS  10           HA       CYS  10  -3.934  -4.056   1.348
    3    HB2  CYS  10           HB2      CYS  10  -5.683  -3.030  -0.659
    4    HB3  CYS  10           HB3      CYS  10  -5.899  -4.774  -0.583

  No H/Q in entry =           4
  In of MODEL    3
    1    H    ARG  11           H        ARG  11  -3.880  -6.269   1.523
    2    HA   ARG  11           HA       ARG  11  -2.489  -7.656  -0.647
    3    HB2  ARG  11           HB2      ARG  11  -2.329  -7.730   2.213
    4    HB3  ARG  11           HB3      ARG  11  -2.753  -9.333   1.627
    5    HG2  ARG  11           HG2      ARG  11  -0.536  -7.898   0.273
    6    HG3  ARG  11           HG3      ARG  11  -0.246  -8.558   1.884
    7    HD2  ARG  11           HD2      ARG  11  -1.399 -10.688   0.805
    8    HD3  ARG  11           HD3      ARG  11  -0.794  -9.956  -0.680
    9    HE   ARG  11           HE       ARG  11   1.282 -10.671  -0.092
   10   HH11  ARG  11          HH11      ARG  11  -0.630 -10.406   2.815
   11   HH12  ARG  11          HH12      ARG  11   0.618 -11.029   3.842
   12   HH21  ARG  11          HH21      ARG  11   2.924 -11.492   1.257
   13   HH22  ARG  11          HH22      ARG  11   2.635 -11.645   2.958

  No H/Q in entry =          13
  In of MODEL    3
    1    H    GLN  12           H        GLN  12  -4.702  -8.942   1.809
    2    HA   GLN  12           HA       GLN  12  -6.414  -9.963  -0.354
    3    HB2  GLN  12           HB2      GLN  12  -5.184 -11.471   1.928
    4    HB3  GLN  12           HB3      GLN  12  -6.703 -12.009   1.227
    5    HG2  GLN  12           HG2      GLN  12  -5.491 -11.954  -1.014
    6    HG3  GLN  12           HG3      GLN  12  -4.008 -11.829  -0.068
    7   HE21  GLN  12          HE21      GLN  12  -5.068 -13.953  -1.852
    8   HE22  GLN  12          HE22      GLN  12  -5.042 -15.395  -0.901

  No H/Q in entry =           8
  In of MODEL    3
    1    H    CYS  13           H        CYS  13  -6.300  -8.041   2.310
    2    HA   CYS  13           HA       CYS  13  -9.058  -7.689   2.488
    3    HB2  CYS  13           HB2      CYS  13  -9.118  -9.885   3.546
    4    HB3  CYS  13           HB3      CYS  13  -7.909  -9.377   4.719

  No H/Q in entry =           4
  In of MODEL    3
    1    H    LYS  14           H        LYS  14  -5.960  -7.519   4.166
    2    HA   LYS  14           HA       LYS  14  -6.718  -4.831   5.101
    3    HB2  LYS  14           HB2      LYS  14  -5.369  -5.184   7.110
    4    HB3  LYS  14           HB3      LYS  14  -6.654  -6.380   6.999
    5    HG2  LYS  14           HG2      LYS  14  -5.136  -8.079   6.344
    6    HG3  LYS  14           HG3      LYS  14  -3.835  -6.911   6.101
    7    HD2  LYS  14           HD2      LYS  14  -3.212  -7.561   8.168
    8    HD3  LYS  14           HD3      LYS  14  -4.459  -6.424   8.685
    9    HE2  LYS  14           HE2      LYS  14  -5.115  -8.261   9.866
   10    HE3  LYS  14           HE3      LYS  14  -6.011  -8.541   8.374
   11    HZ1  LYS  14           HZ1      LYS  14  -3.744  -9.765   7.783
   12    HZ3  LYS  14           HZ2      LYS  14  -5.028 -10.549   8.555
   13    HZ2  LYS  14           HZ3      LYS  14  -3.722  -9.973   9.462

  No H/Q in entry =          13
  In of MODEL    3
    1    H    LEU  15           H        LEU  15  -5.059  -3.275   5.144
    2    HA   LEU  15           HA       LEU  15  -3.360  -3.183   3.004
    3    HB2  LEU  15           HB2      LEU  15  -2.007  -1.509   4.429
    4    HB3  LEU  15           HB3      LEU  15  -3.662  -1.134   4.006
    5    HG   LEU  15           HG       LEU  15  -2.815  -0.664   6.408
    6   HD12  LEU  15          HD11      LEU  15  -5.316  -2.112   6.729
    7   HD11  LEU  15          HD12      LEU  15  -5.298  -1.057   5.315
    8   HD13  LEU  15          HD13      LEU  15  -4.961  -0.395   6.914
    9   HD21  LEU  15          HD21      LEU  15  -1.862  -2.888   6.801
   10   HD23  LEU  15          HD22      LEU  15  -3.472  -3.595   6.672
   11   HD22  LEU  15          HD23      LEU  15  -3.103  -2.479   7.985

  No H/Q in entry =          11
  In of MODEL    3
    1    H    LYS  16           H        LYS  16  -1.240  -3.648   2.574
    2    HA   LYS  16           HA       LYS  16  -0.146  -5.926   3.778
    3    HB2  LYS  16           HB2      LYS  16   0.769  -3.928   1.783
    4    HB3  LYS  16           HB3      LYS  16   2.020  -4.883   2.565
    5    HG2  LYS  16           HG2      LYS  16   0.920  -6.934   1.841
    6    HG3  LYS  16           HG3      LYS  16  -0.351  -5.983   1.070
    7    HD2  LYS  16           HD2      LYS  16   1.874  -4.879  -0.029
    8    HD3  LYS  16           HD3      LYS  16   2.391  -6.554   0.179
    9    HE2  LYS  16           HE2      LYS  16   0.794  -7.368  -1.266
   10    HE3  LYS  16           HE3      LYS  16  -0.284  -5.995  -1.015
   11    HZ3  LYS  16           HZ1      LYS  16   0.659  -5.860  -3.193
   12    HZ2  LYS  16           HZ2      LYS  16   2.232  -6.012  -2.590
   13    HZ1  LYS  16           HZ3      LYS  16   1.330  -4.621  -2.256

  No H/Q in entry =          13
  In of MODEL    3
    1    HA   PRO  17           HA       PRO  17   2.183  -4.615   7.273
    2    HB2  PRO  17           HB2      PRO  17   4.705  -5.611   6.776
    3    HB3  PRO  17           HB3      PRO  17   3.357  -6.566   7.400
    4    HG2  PRO  17           HG2      PRO  17   4.386  -6.337   4.602
    5    HG3  PRO  17           HG3      PRO  17   3.816  -7.772   5.475
    6    HD2  PRO  17           HD2      PRO  17   2.277  -6.522   3.665
    7    HD3  PRO  17           HD3      PRO  17   1.585  -7.250   5.131

  No H/Q in entry =           7
  In of MODEL    3
    1    H    ALA  18           H        ALA  18   2.977  -2.679   7.801
    2    HA   ALA  18           HA       ALA  18   3.745  -0.710   6.071
    3    HB3  ALA  18           HB1      ALA  18   3.287  -0.680   8.647
    4    HB2  ALA  18           HB2      ALA  18   4.294   0.564   7.905
    5    HB1  ALA  18           HB3      ALA  18   5.044  -0.788   8.755

  No H/Q in entry =           5
  In of MODEL    3
    1    H    GLY  19           H        GLY  19   5.775   0.259   5.521
    2    HA3  GLY  19           HA2      GLY  19   8.004   0.260   4.932
    3    HA2  GLY  19           HA3      GLY  19   8.252  -1.064   6.062

  No H/Q in entry =           3
  In of MODEL    3
    1    H    THR  20           H        THR  20   5.781  -1.549   3.747
    2    HA   THR  20           HA       THR  20   7.598  -3.205   2.121
    3    HB   THR  20           HB       THR  20   4.727  -3.774   2.887
    4    HG1  THR  20           HG1      THR  20   7.192  -4.912   3.672
    5   HG21  THR  20          HG21      THR  20   5.905  -4.625   0.591
    6   HG23  THR  20          HG22      THR  20   4.617  -5.471   1.450
    7   HG22  THR  20          HG23      THR  20   6.301  -5.930   1.709

  No H/Q in entry =           7
  In of MODEL    3
    1    H    THR  21           H        THR  21   7.752  -2.521   0.093
    2    HA   THR  21           HA       THR  21   6.245  -0.449  -1.008
    3    HB   THR  21           HB       THR  21   7.221  -2.078  -3.133
    4    HG1  THR  21           HG1      THR  21   8.774  -3.116  -2.207
    5   HG22  THR  21          HG21      THR  21   9.159  -0.199  -2.694
    6   HG21  THR  21          HG22      THR  21   7.721   0.547  -1.996
    7   HG23  THR  21          HG23      THR  21   7.711   0.017  -3.678

  No H/Q in entry =           7
  In of MODEL    3
    1    H    CYS  22           H        CYS  22   4.390  -0.334  -2.132
    2    HA   CYS  22           HA       CYS  22   2.927  -2.850  -2.540
    3    HB2  CYS  22           HB2      CYS  22   0.895  -1.352  -2.593
    4    HB3  CYS  22           HB3      CYS  22   1.728  -1.444  -1.046

  No H/Q in entry =           4
  In of MODEL    3
    1    H    TRP  23           H        TRP  23   3.874   0.170  -4.088
    2    HA   TRP  23           HA       TRP  23   2.615  -0.675  -6.572
    3    HB2  TRP  23           HB2      TRP  23   3.111   1.843  -5.403
    4    HB3  TRP  23           HB3      TRP  23   4.122   1.765  -6.843
    5    HD1  TRP  23           HD1      TRP  23   1.038  -0.218  -7.286
    6    HE1  TRP  23           HE1      TRP  23  -0.662   1.051  -8.741
    7    HE3  TRP  23           HE3      TRP  23   3.247   4.380  -7.282
    8    HZ2  TRP  23           HZ2      TRP  23  -1.022   3.654  -9.744
    9    HZ3  TRP  23           HZ3      TRP  23   2.162   6.211  -8.514
   10    HH2  TRP  23           HH2      TRP  23   0.073   5.852  -9.724

  No H/Q in entry =          10
  In of MODEL    3
    1    H    LYS  24           H        LYS  24   5.758   0.776  -5.850
    2    HA   LYS  24           HA       LYS  24   7.813   0.467  -6.794
    3    HB2  LYS  24           HB2      LYS  24   7.578  -1.611  -5.472
    4    HB3  LYS  24           HB3      LYS  24   6.902  -2.410  -6.884
    5    HG2  LYS  24           HG2      LYS  24   9.443  -1.159  -7.477
    6    HG3  LYS  24           HG3      LYS  24   9.568  -2.312  -6.147
    7    HD2  LYS  24           HD2      LYS  24   9.133  -4.092  -7.475
    8    HD3  LYS  24           HD3      LYS  24   7.994  -3.196  -8.482
    9    HE2  LYS  24           HE2      LYS  24   9.865  -3.733  -9.847
   10    HE3  LYS  24           HE3      LYS  24   9.960  -2.010  -9.487
   11    HZ2  LYS  24           HZ1      LYS  24  11.681  -4.195  -8.588
   12    HZ1  LYS  24           HZ2      LYS  24  11.426  -2.913  -7.514
   13    HZ3  LYS  24           HZ3      LYS  24  12.087  -2.616  -9.043

  No H/Q in entry =          13
  In of MODEL    3
    1    H    THR  25           H        THR  25   5.503   0.978  -8.586
    2    HA   THR  25           HA       THR  25   5.680  -0.510 -10.949
    3    HB   THR  25           HB       THR  25   3.834   1.046 -10.454
    4    HG1  THR  25           HG1      THR  25   3.732   0.765 -12.538
    5   HG23  THR  25          HG21      THR  25   4.114   3.171  -9.954
    6   HG22  THR  25          HG22      THR  25   4.969   3.452 -11.473
    7   HG21  THR  25          HG23      THR  25   5.860   2.935 -10.042

  No H/Q in entry =           7
  In of MODEL    3
    1    H    SER  26           H        SER  26   6.293   0.726 -13.078
    2    HA   SER  26           HA       SER  26   9.100   0.804 -13.148
    3    HB2  SER  26           HB2      SER  26   7.021   1.651 -15.165
    4    HB3  SER  26           HB3      SER  26   8.752   1.650 -15.506
    5    HG   SER  26           HG       SER  26   8.774  -0.579 -15.100

  No H/Q in entry =           5
  In of MODEL    3
    1    H    VAL  27           H        VAL  27   6.823   3.313 -12.449
    2    HA   VAL  27           HA       VAL  27   9.019   5.187 -12.154
    3    HB   VAL  27           HB       VAL  27   6.672   5.982 -13.873
    4   HG11  VAL  27          HG11      VAL  27   9.081   7.350 -12.813
    5   HG13  VAL  27          HG12      VAL  27   7.451   7.967 -13.079
    6   HG12  VAL  27          HG13      VAL  27   8.551   7.768 -14.443
    7   HG23  VAL  27          HG21      VAL  27   8.276   5.937 -15.762
    8   HG22  VAL  27          HG22      VAL  27   7.938   4.339 -15.098
    9   HG21  VAL  27          HG23      VAL  27   9.451   5.156 -14.704

  No H/Q in entry =           9
  In of MODEL    3
    1    H    SER  28           H        SER  28   7.504   4.064 -10.144
    2    HA   SER  28           HA       SER  28   6.758   6.218  -8.605
    3    HB2  SER  28           HB2      SER  28   4.584   5.291 -10.390
    4    HB3  SER  28           HB3      SER  28   4.139   5.561  -8.706
    5    HG   SER  28           HG       SER  28   4.689   7.666  -8.883

  No H/Q in entry =           5
  In of MODEL    3
    1    H    SER  29           H        SER  29   7.845   4.881  -7.130
    2    HA   SER  29           HA       SER  29   6.388   2.476  -6.265
    3    HB2  SER  29           HB2      SER  29   8.454   1.735  -5.243
    4    HB3  SER  29           HB3      SER  29   8.802   2.225  -6.901
    5    HG   SER  29           HG       SER  29  10.249   3.455  -6.012

  No H/Q in entry =           5
  In of MODEL    3
    1    H    HIS  30           H        HIS  30   5.544   2.324  -4.261
    2    HA   HIS  30           HA       HIS  30   6.159   4.425  -2.306
    3    HB2  HIS  30           HB2      HIS  30   3.341   3.487  -2.851
    4    HB3  HIS  30           HB3      HIS  30   3.850   4.817  -1.815
    5    HD1  HIS  30           HD1      HIS  30   3.222   6.950  -2.876
    6    HD2  HIS  30           HD2      HIS  30   4.501   4.158  -5.673
    7    HE1  HIS  30           HE1      HIS  30   3.132   8.132  -5.094
    8    HE2  HIS  30           HE2      HIS  30   3.997   6.451  -6.759

  No H/Q in entry =           8
  In of MODEL    3
    1    H    TYR  31           H        TYR  31   5.605   3.864  -0.108
    2    HA   TYR  31           HA       TYR  31   5.618   0.951   0.318
    3    HB2  TYR  31           HB2      TYR  31   6.896   3.222   1.808
    4    HB3  TYR  31           HB3      TYR  31   6.555   1.704   2.632
    5    HD1  TYR  31           HD1      TYR  31   7.739  -0.340   2.011
    6    HD2  TYR  31           HD2      TYR  31   8.626   3.368   0.126
    7    HE1  TYR  31           HE1      TYR  31   9.828  -1.294   1.136
    8    HE2  TYR  31           HE2      TYR  31  10.717   2.425  -0.759
    9    HH   TYR  31           HH       TYR  31  12.297   0.578  -0.174

  No H/Q in entry =           9
  In of MODEL    3
    1    H    CYS  32           H        CYS  32   4.556   0.190   2.312
    2    HA   CYS  32           HA       CYS  32   2.021   1.579   2.666
    3    HB2  CYS  32           HB2      CYS  32   2.959  -1.178   3.469
    4    HB3  CYS  32           HB3      CYS  32   1.374  -0.531   3.881

  No H/Q in entry =           4
  In of MODEL    3
    1    H    THR  33           H        THR  33   1.181   2.143   4.680
    2    HA   THR  33           HA       THR  33   3.211   2.474   6.785
    3    HB   THR  33           HB       THR  33   2.100   4.441   7.489
    4    HG1  THR  33           HG1      THR  33  -0.027   3.809   5.726
    5   HG22  THR  33          HG21      THR  33   1.782   4.512   4.501
    6   HG21  THR  33          HG22      THR  33   3.317   4.725   5.345
    7   HG23  THR  33          HG23      THR  33   2.006   5.879   5.593

  No H/Q in entry =           7
  In of MODEL    3
    1    H    GLY  34           H        GLY  34   1.311   0.174   6.181
    2    HA3  GLY  34           HA2      GLY  34  -0.104  -1.244   7.320
    3    HA2  GLY  34           HA3      GLY  34   0.856  -0.769   8.712

  No H/Q in entry =           3
  In of MODEL    3
    1    H    ARG  35           H        ARG  35  -1.168   1.458   6.905
    2    HA   ARG  35           HA       ARG  35  -3.042   1.519   9.176
    3    HB2  ARG  35           HB2      ARG  35  -1.658   3.766   7.766
    4    HB3  ARG  35           HB3      ARG  35  -3.247   4.034   8.469
    5    HG2  ARG  35           HG2      ARG  35  -2.378   3.291  10.651
    6    HG3  ARG  35           HG3      ARG  35  -0.778   3.117   9.927
    7    HD2  ARG  35           HD2      ARG  35  -0.943   5.235  11.093
    8    HD3  ARG  35           HD3      ARG  35  -0.792   5.507   9.358
    9    HE   ARG  35           HE       ARG  35  -3.097   6.068  11.028
   10   HH11  ARG  35          HH11      ARG  35  -1.841   5.752   7.782
   11   HH12  ARG  35          HH12      ARG  35  -3.113   6.684   7.069
   12   HH21  ARG  35          HH21      ARG  35  -4.767   7.293  10.086
   13   HH22  ARG  35          HH22      ARG  35  -4.772   7.559   8.374

  No H/Q in entry =          13
  In of MODEL    3
    1    H    SER  36           H        SER  36  -2.584   2.200   5.741
    2    HA   SER  36           HA       SER  36  -5.379   1.468   5.278
    3    HB2  SER  36           HB2      SER  36  -4.944   4.053   5.405
    4    HB3  SER  36           HB3      SER  36  -4.270   3.824   3.791
    5    HG   SER  36           HG       SER  36  -6.215   3.591   3.034

  No H/Q in entry =           5
  In of MODEL    3
    1    H    CYS  37           H        CYS  37  -5.824   1.046   2.952
    2    HA   CYS  37           HA       CYS  37  -3.541  -0.335   1.782
    3    HB2  CYS  37           HB2      CYS  37  -6.478  -0.387   1.065
    4    HB3  CYS  37           HB3      CYS  37  -5.235  -1.353   0.277

  No H/Q in entry =           4
  In of MODEL    3
    1    H    GLU  38           H        GLU  38  -4.454   2.711   1.640
    2    HA   GLU  38           HA       GLU  38  -4.319   3.009  -1.269
    3    HB2  GLU  38           HB2      GLU  38  -5.215   4.749   0.982
    4    HB3  GLU  38           HB3      GLU  38  -4.620   5.525  -0.479
    5    HG2  GLU  38           HG2      GLU  38  -6.769   3.433  -0.532
    6    HG3  GLU  38           HG3      GLU  38  -7.116   5.147  -0.311

  No H/Q in entry =           6
  In of MODEL    3
    1    H    CYS  39           H        CYS  39  -2.237   2.823  -1.901
    2    HA   CYS  39           HA       CYS  39   0.025   3.570  -0.457
    3    HB2  CYS  39           HB2      CYS  39  -0.264   3.490  -3.469
    4    HB3  CYS  39           HB3      CYS  39   1.244   3.400  -2.565

  No H/Q in entry =           4
  In of MODEL    3
    1    HA   PRO  40           HA       PRO  40  -0.023   8.008  -0.437
    2    HB2  PRO  40           HB2      PRO  40   2.928   7.688  -0.704
    3    HB3  PRO  40           HB3      PRO  40   1.999   8.625   0.472
    4    HG2  PRO  40           HG2      PRO  40   3.129   6.319   1.167
    5    HG3  PRO  40           HG3      PRO  40   1.525   6.766   1.777
    6    HD2  PRO  40           HD2      PRO  40   2.269   4.810  -0.351
    7    HD3  PRO  40           HD3      PRO  40   0.960   4.736   0.845

  No H/Q in entry =           7
  In of MODEL    3
    1    H    SER  41           H        SER  41   1.174   9.829  -1.689
    2    HA   SER  41           HA       SER  41   1.207   9.058  -4.530
    3    HB2  SER  41           HB2      SER  41   0.764  11.574  -4.866
    4    HB3  SER  41           HB3      SER  41  -0.558  10.592  -4.236
    5    HG   SER  41           HG       SER  41   1.203  12.231  -2.729

  No H/Q in entry =           5
  In of MODEL    3
    1    H    TYR  42           H        TYR  42   3.480   8.900  -2.694
    2    HA   TYR  42           HA       TYR  42   5.411  10.200  -4.360
    3    HB2  TYR  42           HB2      TYR  42   6.432  11.628  -2.715
    4    HB3  TYR  42           HB3      TYR  42   4.725  12.043  -2.810
    5    HD1  TYR  42           HD1      TYR  42   7.208  10.152  -0.802
    6    HD2  TYR  42           HD2      TYR  42   3.366  11.976  -0.891
    7    HE1  TYR  42           HE1      TYR  42   7.008   9.832   1.627
    8    HE2  TYR  42           HE2      TYR  42   3.154  11.661   1.539
    9    HH   TYR  42           HH       TYR  42   4.645  11.364   3.495

  No H/Q in entry =           9
  In of MODEL    3
    1    HA   PRO  43           HA       PRO  43   7.646   6.651  -2.947
    2    HB2  PRO  43           HB2      PRO  43  10.131   7.289  -3.783
    3    HB3  PRO  43           HB3      PRO  43   8.839   6.856  -4.910
    4    HG2  PRO  43           HG2      PRO  43   9.848   9.569  -4.140
    5    HG3  PRO  43           HG3      PRO  43   9.439   8.944  -5.748
    6    HD2  PRO  43           HD2      PRO  43   7.760  10.518  -4.303
    7    HD3  PRO  43           HD3      PRO  43   7.184   9.288  -5.445

  No H/Q in entry =           7
  In of MODEL    3
    1    H    GLY  44           H        GLY  44   7.879   6.408  -0.800
    2    HA3  GLY  44           HA2      GLY  44   9.102   8.385   0.870
    3    HA2  GLY  44           HA3      GLY  44   8.569   6.787   1.369

  No H/Q in entry =           3
  In of MODEL    3
    1    H    ASN  45           H        ASN  45  11.204   8.729   1.053
    2    HA   ASN  45           HA       ASN  45  13.007   6.409   1.076
    3    HB2  ASN  45           HB2      ASN  45  12.911   7.992  -1.090
    4    HB3  ASN  45           HB3      ASN  45  14.044   8.925  -0.117
    5   HD21  ASN  45          HD21      ASN  45  15.958   7.830   0.652
    6   HD22  ASN  45          HD22      ASN  45  16.638   6.549  -0.287

  No H/Q in entry =           6
  In of MODEL    3
    1    H    GLY  46           H        GLY  46  12.666   9.873   1.795
    2    HA3  GLY  46           HA2      GLY  46  14.178   9.407   4.275
    3    HA2  GLY  46           HA3      GLY  46  14.660  10.719   3.210

  No H/Q in entry =           3
  In of MODEL    4
    1    H1   ALA   1           H3       ALA   1 -12.327   4.802   7.669
    2    H2   ALA   1           H2       ALA   1 -12.163   5.841   6.314
    3    H3   ALA   1           H1       ALA   1 -12.972   4.336   6.151
    4    HA   ALA   1           HA       ALA   1 -10.903   4.035   5.224
    5    HB2  ALA   1           HB1      ALA   1  -8.877   4.509   6.829
    6    HB1  ALA   1           HB2      ALA   1  -9.999   5.665   7.545
    7    HB3  ALA   1           HB3      ALA   1  -9.571   5.793   5.839

  No H/Q in entry =           7
  In of MODEL    4
    1    H    MET   2           H        MET   2 -11.985   1.990   5.653
    2    HA   MET   2           HA       MET   2 -10.372   0.285   7.287
    3    HB2  MET   2           HB2      MET   2 -13.081   1.115   8.209
    4    HB3  MET   2           HB3      MET   2 -12.611  -0.563   8.444
    5    HG2  MET   2           HG2      MET   2 -10.446   0.527   9.454
    6    HG3  MET   2           HG3      MET   2 -11.519   1.907   9.681
    7    HE2  MET   2           HE1      MET   2 -14.394   0.501  10.417
    8    HE1  MET   2           HE2      MET   2 -13.600   1.950  11.033
    9    HE3  MET   2           HE3      MET   2 -14.157   0.706  12.152

  No H/Q in entry =           9
  In of MODEL    4
    1    H    ASP   3           H        ASP   3 -11.662  -1.993   7.400
    2    HA   ASP   3           HA       ASP   3 -12.333  -3.803   6.197
    3    HB2  ASP   3           HB2      ASP   3 -14.363  -2.123   5.985
    4    HB3  ASP   3           HB3      ASP   3 -13.866  -2.080   4.296

  No H/Q in entry =           4
  In of MODEL    4
    1    H    CYS   4           H        CYS   4 -12.361  -4.766   3.928
    2    HA   CYS   4           HA       CYS   4  -9.859  -4.335   2.721
    3    HB2  CYS   4           HB2      CYS   4 -12.307  -5.879   1.919
    4    HB3  CYS   4           HB3      CYS   4 -10.933  -5.748   0.827

  No H/Q in entry =           4
  In of MODEL    4
    1    H    THR   5           H        THR   5  -9.506  -3.806   0.419
    2    HA   THR   5           HA       THR   5 -11.406  -2.231  -1.001
    3    HB   THR   5           HB       THR   5  -9.104  -0.805   0.337
    4    HG1  THR   5           HG1      THR   5 -11.913  -0.614   0.549
    5   HG22  THR   5          HG21      THR   5 -10.856   0.987  -0.986
    6   HG21  THR   5          HG22      THR   5 -10.278  -0.199  -2.156
    7   HG23  THR   5          HG23      THR   5  -9.124   0.753  -1.223

  No H/Q in entry =           7
  In of MODEL    4
    1    H    THR   6           H        THR   6 -10.915  -3.573  -2.715
    2    HA   THR   6           HA       THR   6  -8.514  -4.484  -3.618
    3    HB   THR   6           HB       THR   6  -9.698  -4.009  -5.995
    4    HG1  THR   6           HG1      THR   6 -11.356  -2.759  -5.083
    5   HG22  THR   6          HG21      THR   6 -11.195  -6.026  -4.513
    6   HG21  THR   6          HG22      THR   6  -9.443  -6.189  -4.389
    7   HG23  THR   6          HG23      THR   6 -10.217  -6.174  -5.973

  No H/Q in entry =           7
  In of MODEL    4
    1    H    GLY   7           H        GLY   7  -6.767  -3.139  -3.453
    2    HA3  GLY   7           HA2      GLY   7  -6.590  -1.059  -5.503
    3    HA2  GLY   7           HA3      GLY   7  -6.293  -0.581  -3.839

  No H/Q in entry =           3
  In of MODEL    4
    1    HA   PRO   8           HA       PRO   8  -2.252  -1.905  -5.705
    2    HB2  PRO   8           HB2      PRO   8  -0.826   0.247  -4.903
    3    HB3  PRO   8           HB3      PRO   8  -1.781   0.239  -6.391
    4    HG2  PRO   8           HG2      PRO   8  -2.462   1.383  -3.710
    5    HG3  PRO   8           HG3      PRO   8  -2.713   2.080  -5.320
    6    HD2  PRO   8           HD2      PRO   8  -4.688   0.857  -3.910
    7    HD3  PRO   8           HD3      PRO   8  -4.629   0.865  -5.683

  No H/Q in entry =           7
  In of MODEL    4
    1    H    CYS   9           H        CYS   9  -3.484  -1.385  -2.599
    2    HA   CYS   9           HA       CYS   9  -0.982  -2.289  -1.339
    3    HB2  CYS   9           HB2      CYS   9  -3.014  -0.388  -0.544
    4    HB3  CYS   9           HB3      CYS   9  -2.805  -1.629   0.686

  No H/Q in entry =           4
  In of MODEL    4
    1    H    CYS  10           H        CYS  10  -4.419  -2.976  -1.672
    2    HA   CYS  10           HA       CYS  10  -4.091  -5.431  -0.105
    3    HB2  CYS  10           HB2      CYS  10  -6.483  -3.846  -0.990
    4    HB3  CYS  10           HB3      CYS  10  -6.658  -5.523  -0.488

  No H/Q in entry =           4
  In of MODEL    4
    1    H    ARG  11           H        ARG  11  -3.544  -7.189  -1.179
    2    HA   ARG  11           HA       ARG  11  -4.562  -7.547  -3.921
    3    HB2  ARG  11           HB2      ARG  11  -2.041  -7.314  -3.568
    4    HB3  ARG  11           HB3      ARG  11  -2.112  -8.891  -2.794
    5    HG2  ARG  11           HG2      ARG  11  -1.605  -9.557  -4.896
    6    HG3  ARG  11           HG3      ARG  11  -3.363  -9.517  -5.049
    7    HD2  ARG  11           HD2      ARG  11  -2.835  -8.292  -6.887
    8    HD3  ARG  11           HD3      ARG  11  -2.852  -6.989  -5.699
    9    HE   ARG  11           HE       ARG  11  -0.280  -7.867  -5.667
   10   HH11  ARG  11          HH11      ARG  11  -2.435  -6.768  -8.183
   11   HH12  ARG  11          HH12      ARG  11  -1.161  -6.128  -9.167
   12   HH21  ARG  11          HH21      ARG  11   1.396  -7.025  -6.959
   13   HH22  ARG  11          HH22      ARG  11   1.013  -6.273  -8.472

  No H/Q in entry =          13
  In of MODEL    4
    1    H    GLN  12           H        GLN  12  -4.698  -8.709  -0.749
    2    HA   GLN  12           HA       GLN  12  -6.058 -11.138  -1.673
    3    HB2  GLN  12           HB2      GLN  12  -3.861 -10.931   0.356
    4    HB3  GLN  12           HB3      GLN  12  -5.044 -12.228   0.446
    5    HG2  GLN  12           HG2      GLN  12  -4.276 -13.254  -1.447
    6    HG3  GLN  12           HG3      GLN  12  -3.648 -11.757  -2.134
    7   HE21  GLN  12          HE21      GLN  12  -3.100 -13.177   1.052
    8   HE22  GLN  12          HE22      GLN  12  -1.390 -13.352   0.878

  No H/Q in entry =           8
  In of MODEL    4
    1    H    CYS  13           H        CYS  13  -6.611  -8.356  -0.347
    2    HA   CYS  13           HA       CYS  13  -8.399  -7.576   0.853
    3    HB2  CYS  13           HB2      CYS  13  -9.264 -10.074   0.359
    4    HB3  CYS  13           HB3      CYS  13  -9.063 -10.186   2.104

  No H/Q in entry =           4
  In of MODEL    4
    1    H    LYS  14           H        LYS  14  -5.728  -7.671   1.789
    2    HA   LYS  14           HA       LYS  14  -6.212  -7.228   4.590
    3    HB2  LYS  14           HB2      LYS  14  -5.581  -9.769   4.096
    4    HB3  LYS  14           HB3      LYS  14  -3.953  -9.105   4.088
    5    HG2  LYS  14           HG2      LYS  14  -4.686  -8.030   6.348
    6    HG3  LYS  14           HG3      LYS  14  -5.908  -9.303   6.328
    7    HD2  LYS  14           HD2      LYS  14  -4.152 -10.989   6.104
    8    HD3  LYS  14           HD3      LYS  14  -2.927  -9.719   6.106
    9    HE2  LYS  14           HE2      LYS  14  -4.816 -10.402   8.355
   10    HE3  LYS  14           HE3      LYS  14  -3.085 -10.728   8.303
   11    HZ3  LYS  14           HZ1      LYS  14  -3.519  -8.774   9.613
   12    HZ2  LYS  14           HZ2      LYS  14  -4.365  -8.049   8.341
   13    HZ1  LYS  14           HZ3      LYS  14  -2.702  -8.323   8.202

  No H/Q in entry =          13
  In of MODEL    4
    1    H    LEU  15           H        LEU  15  -5.630  -5.123   3.926
    2    HA   LEU  15           HA       LEU  15  -3.817  -3.905   2.588
    3    HB2  LEU  15           HB2      LEU  15  -3.084  -2.582   4.737
    4    HB3  LEU  15           HB3      LEU  15  -4.701  -2.442   4.082
    5    HG   LEU  15           HG       LEU  15  -4.486  -2.658   6.604
    6   HD13  LEU  15          HD11      LEU  15  -6.602  -3.374   6.659
    7   HD12  LEU  15          HD12      LEU  15  -6.226  -4.876   5.816
    8   HD11  LEU  15          HD13      LEU  15  -6.464  -3.388   4.901
    9   HD21  LEU  15          HD21      LEU  15  -2.800  -4.429   6.635
   10   HD23  LEU  15          HD22      LEU  15  -3.954  -5.542   5.903
   11   HD22  LEU  15          HD23      LEU  15  -4.253  -4.897   7.516

  No H/Q in entry =          11
  In of MODEL    4
    1    H    LYS  16           H        LYS  16  -1.773  -4.019   1.995
    2    HA   LYS  16           HA       LYS  16  -0.014  -5.980   2.719
    3    HB2  LYS  16           HB2      LYS  16   0.232  -3.361   1.381
    4    HB3  LYS  16           HB3      LYS  16   1.729  -4.005   2.041
    5    HG2  LYS  16           HG2      LYS  16   1.456  -6.040   0.754
    6    HG3  LYS  16           HG3      LYS  16  -0.091  -5.459   0.134
    7    HD2  LYS  16           HD2      LYS  16   1.518  -3.387  -0.524
    8    HD3  LYS  16           HD3      LYS  16   2.658  -4.730  -0.637
    9    HE2  LYS  16           HE2      LYS  16   0.487  -5.758  -1.913
   10    HE3  LYS  16           HE3      LYS  16   0.357  -4.050  -2.332
   11    HZ2  LYS  16           HZ1      LYS  16   2.336  -6.011  -3.143
   12    HZ1  LYS  16           HZ2      LYS  16   2.947  -4.478  -2.772
   13    HZ3  LYS  16           HZ3      LYS  16   1.759  -4.649  -3.964

  No H/Q in entry =          13
  In of MODEL    4
    1    HA   PRO  17           HA       PRO  17   1.513  -5.325   6.804
    2    HB2  PRO  17           HB2      PRO  17   4.199  -5.722   5.561
    3    HB3  PRO  17           HB3      PRO  17   3.493  -6.497   6.984
    4    HG2  PRO  17           HG2      PRO  17   3.639  -7.793   4.663
    5    HG3  PRO  17           HG3      PRO  17   2.225  -7.968   5.719
    6    HD2  PRO  17           HD2      PRO  17   2.515  -6.455   3.172
    7    HD3  PRO  17           HD3      PRO  17   1.094  -7.280   3.842

  No H/Q in entry =           7
  In of MODEL    4
    1    H    ALA  18           H        ALA  18   1.745  -3.424   7.786
    2    HA   ALA  18           HA       ALA  18   2.398  -1.026   6.595
    3    HB1  ALA  18           HB1      ALA  18   2.807  -1.737   9.497
    4    HB3  ALA  18           HB2      ALA  18   1.278  -1.236   8.774
    5    HB2  ALA  18           HB3      ALA  18   2.637  -0.114   8.830

  No H/Q in entry =           5
  In of MODEL    4
    1    H    GLY  19           H        GLY  19   4.223  -0.180   5.844
    2    HA3  GLY  19           HA2      GLY  19   6.494   0.463   5.999
    3    HA2  GLY  19           HA3      GLY  19   6.766  -0.858   7.125

  No H/Q in entry =           3
  In of MODEL    4
    1    H    THR  20           H        THR  20   4.983  -1.506   4.241
    2    HA   THR  20           HA       THR  20   7.372  -2.677   2.985
    3    HB   THR  20           HB       THR  20   4.645  -3.966   3.225
    4    HG1  THR  20           HG1      THR  20   5.831  -5.525   4.424
    5   HG23  THR  20          HG21      THR  20   5.158  -5.386   1.615
    6   HG22  THR  20          HG22      THR  20   6.726  -5.727   2.348
    7   HG21  THR  20          HG23      THR  20   6.551  -4.376   1.228

  No H/Q in entry =           7
  In of MODEL    4
    1    H    THR  21           H        THR  21   7.462  -2.565   0.760
    2    HA   THR  21           HA       THR  21   6.170  -0.463  -0.512
    3    HB   THR  21           HB       THR  21   6.862  -2.262  -2.549
    4    HG1  THR  21           HG1      THR  21   8.569  -3.335  -1.878
    5   HG23  THR  21          HG21      THR  21   7.937  -0.437  -3.156
    6   HG22  THR  21          HG22      THR  21   9.138  -0.739  -1.900
    7   HG21  THR  21          HG23      THR  21   7.721   0.252  -1.547

  No H/Q in entry =           7
  In of MODEL    4
    1    H    CYS  22           H        CYS  22   4.400  -0.244  -1.772
    2    HA   CYS  22           HA       CYS  22   2.685  -2.609  -2.115
    3    HB2  CYS  22           HB2      CYS  22   0.734  -1.309  -1.565
    4    HB3  CYS  22           HB3      CYS  22   1.899  -1.136  -0.258

  No H/Q in entry =           4
  In of MODEL    4
    1    H    TRP  23           H        TRP  23   3.506   0.639  -3.257
    2    HA   TRP  23           HA       TRP  23   2.296  -0.048  -5.848
    3    HB2  TRP  23           HB2      TRP  23   1.610   2.058  -4.379
    4    HB3  TRP  23           HB3      TRP  23   3.002   2.770  -5.190
    5    HD1  TRP  23           HD1      TRP  23   0.756   0.284  -7.013
    6    HE1  TRP  23           HE1      TRP  23  -0.467   1.512  -8.915
    7    HE3  TRP  23           HE3      TRP  23   2.157   5.073  -5.917
    8    HZ2  TRP  23           HZ2      TRP  23  -0.793   4.156  -9.825
    9    HZ3  TRP  23           HZ3      TRP  23   1.350   6.897  -7.358
   10    HH2  TRP  23           HH2      TRP  23  -0.093   6.443  -9.275

  No H/Q in entry =          10
  In of MODEL    4
    1    H    LYS  24           H        LYS  24   4.819  -1.055  -5.308
    2    HA   LYS  24           HA       LYS  24   6.911   0.622  -6.235
    3    HB2  LYS  24           HB2      LYS  24   7.335  -1.384  -4.892
    4    HB3  LYS  24           HB3      LYS  24   6.724  -2.395  -6.194
    5    HG2  LYS  24           HG2      LYS  24   8.630  -1.060  -7.525
    6    HG3  LYS  24           HG3      LYS  24   9.326  -1.041  -5.903
    7    HD2  LYS  24           HD2      LYS  24   9.600  -3.308  -5.845
    8    HD3  LYS  24           HD3      LYS  24   8.224  -3.610  -6.908
    9    HE2  LYS  24           HE2      LYS  24  10.512  -2.177  -8.103
   10    HE3  LYS  24           HE3      LYS  24  10.787  -3.866  -7.679
   11    HZ3  LYS  24           HZ1      LYS  24   9.925  -4.189  -9.719
   12    HZ2  LYS  24           HZ2      LYS  24   9.081  -2.724  -9.735
   13    HZ1  LYS  24           HZ3      LYS  24   8.445  -4.056  -8.909

  No H/Q in entry =          13
  In of MODEL    4
    1    H    THR  25           H        THR  25   5.443   1.430  -8.066
    2    HA   THR  25           HA       THR  25   5.189  -0.262 -10.371
    3    HB   THR  25           HB       THR  25   3.564   1.531  -9.904
    4    HG1  THR  25           HG1      THR  25   3.302   1.547 -11.967
    5   HG22  THR  25          HG21      THR  25   5.151   3.717 -10.937
    6   HG21  THR  25          HG22      THR  25   5.738   3.131  -9.381
    7   HG23  THR  25          HG23      THR  25   4.064   3.657  -9.550

  No H/Q in entry =           7
  In of MODEL    4
    1    H    SER  26           H        SER  26   5.985   0.730 -12.539
    2    HA   SER  26           HA       SER  26   8.795   0.558 -12.552
    3    HB2  SER  26           HB2      SER  26   8.369   1.545 -14.983
    4    HB3  SER  26           HB3      SER  26   7.926  -0.112 -14.571
    5    HG   SER  26           HG       SER  26   6.253   1.132 -15.640

  No H/Q in entry =           5
  In of MODEL    4
    1    H    VAL  27           H        VAL  27   6.682   3.247 -12.104
    2    HA   VAL  27           HA       VAL  27   9.016   5.036 -12.167
    3    HB   VAL  27           HB       VAL  27   7.635   5.412 -14.185
    4   HG12  VAL  27          HG11      VAL  27   5.417   6.526 -13.872
    5   HG11  VAL  27          HG12      VAL  27   5.494   6.068 -12.171
    6   HG13  VAL  27          HG13      VAL  27   5.454   4.823 -13.418
    7   HG21  VAL  27          HG21      VAL  27   8.860   7.237 -12.725
    8   HG23  VAL  27          HG22      VAL  27   7.215   7.838 -12.516
    9   HG22  VAL  27          HG23      VAL  27   7.899   7.682 -14.135

  No H/Q in entry =           9
  In of MODEL    4
    1    H    SER  28           H        SER  28   7.816   3.689  -9.916
    2    HA   SER  28           HA       SER  28   7.752   5.749  -8.052
    3    HB2  SER  28           HB2      SER  28   5.381   5.788  -9.437
    4    HB3  SER  28           HB3      SER  28   4.972   4.790  -8.042
    5    HG   SER  28           HG       SER  28   5.682   6.469  -6.700

  No H/Q in entry =           5
  In of MODEL    4
    1    H    SER  29           H        SER  29   6.724   4.968  -5.899
    2    HA   SER  29           HA       SER  29   6.226   2.262  -5.411
    3    HB2  SER  29           HB2      SER  29   8.384   1.617  -4.327
    4    HB3  SER  29           HB3      SER  29   8.520   1.834  -6.071
    5    HG   SER  29           HG       SER  29   9.517   3.418  -3.989

  No H/Q in entry =           5
  In of MODEL    4
    1    H    HIS  30           H        HIS  30   5.015   2.417  -3.661
    2    HA   HIS  30           HA       HIS  30   5.846   4.275  -1.529
    3    HB2  HIS  30           HB2      HIS  30   3.001   3.495  -2.184
    4    HB3  HIS  30           HB3      HIS  30   3.534   4.729  -1.047
    5    HD1  HIS  30           HD1      HIS  30   2.764   6.865  -2.046
    6    HD2  HIS  30           HD2      HIS  30   4.554   4.390  -4.860
    7    HE1  HIS  30           HE1      HIS  30   2.868   8.217  -4.164
    8    HE2  HIS  30           HE2      HIS  30   3.873   6.668  -5.875

  No H/Q in entry =           8
  In of MODEL    4
    1    H    TYR  31           H        TYR  31   5.203   3.667   0.647
    2    HA   TYR  31           HA       TYR  31   5.222   0.747   0.979
    3    HB2  TYR  31           HB2      TYR  31   6.349   3.016   2.543
    4    HB3  TYR  31           HB3      TYR  31   5.824   1.594   3.438
    5    HD1  TYR  31           HD1      TYR  31   7.838   0.644   4.156
    6    HD2  TYR  31           HD2      TYR  31   7.395   1.740   0.069
    7    HE1  TYR  31           HE1      TYR  31   9.965  -0.472   3.632
    8    HE2  TYR  31           HE2      TYR  31   9.521   0.626  -0.466
    9    HH   TYR  31           HH       TYR  31  11.782   0.017   1.327

  No H/Q in entry =           9
  In of MODEL    4
    1    H    CYS  32           H        CYS  32   3.532  -0.270   1.864
    2    HA   CYS  32           HA       CYS  32   1.133   1.142   2.429
    3    HB2  CYS  32           HB2      CYS  32   1.645  -1.396   1.687
    4    HB3  CYS  32           HB3      CYS  32   1.420  -1.640   3.415

  No H/Q in entry =           4
  In of MODEL    4
    1    H    THR  33           H        THR  33  -0.016   1.237   4.422
    2    HA   THR  33           HA       THR  33   1.775   1.345   6.748
    3    HB   THR  33           HB       THR  33   0.340   2.989   7.685
    4    HG1  THR  33           HG1      THR  33  -1.662   3.506   6.701
    5   HG23  THR  33          HG21      THR  33   0.222   4.747   6.062
    6   HG22  THR  33          HG22      THR  33   0.356   3.589   4.739
    7   HG21  THR  33          HG23      THR  33   1.719   3.846   5.828

  No H/Q in entry =           7
  In of MODEL    4
    1    H    GLY  34           H        GLY  34   0.191  -1.000   5.565
    2    HA3  GLY  34           HA2      GLY  34  -1.111  -2.747   6.318
    3    HA2  GLY  34           HA3      GLY  34  -0.282  -2.453   7.837

  No H/Q in entry =           3
  In of MODEL    4
    1    H    ARG  35           H        ARG  35  -2.580  -0.319   6.197
    2    HA   ARG  35           HA       ARG  35  -4.549  -0.868   8.298
    3    HB2  ARG  35           HB2      ARG  35  -3.587   1.870   7.468
    4    HB3  ARG  35           HB3      ARG  35  -4.992   1.579   8.484
    5    HG2  ARG  35           HG2      ARG  35  -2.448   0.352   9.353
    6    HG3  ARG  35           HG3      ARG  35  -2.570   2.109   9.462
    7    HD2  ARG  35           HD2      ARG  35  -4.600   1.900  10.788
    8    HD3  ARG  35           HD3      ARG  35  -4.532   0.145  10.642
    9    HE   ARG  35           HE       ARG  35  -2.169   1.300  11.801
   10   HH11  ARG  35          HH11      ARG  35  -5.381   0.100  12.453
   11   HH12  ARG  35          HH12      ARG  35  -5.044  -0.261  14.113
   12   HH21  ARG  35          HH21      ARG  35  -1.725   0.826  13.983
   13   HH22  ARG  35          HH22      ARG  35  -2.969   0.152  14.982

  No H/Q in entry =          13
  In of MODEL    4
    1    H    SER  36           H        SER  36  -4.044   1.102   5.388
    2    HA   SER  36           HA       SER  36  -6.726   0.288   4.476
    3    HB2  SER  36           HB2      SER  36  -6.177   2.794   4.987
    4    HB3  SER  36           HB3      SER  36  -5.339   2.738   3.436
    5    HG   SER  36           HG       SER  36  -7.981   2.904   3.938

  No H/Q in entry =           5
  In of MODEL    4
    1    H    CYS  37           H        CYS  37  -6.905   0.474   1.986
    2    HA   CYS  37           HA       CYS  37  -4.593  -0.945   0.869
    3    HB2  CYS  37           HB2      CYS  37  -7.314  -0.803  -0.398
    4    HB3  CYS  37           HB3      CYS  37  -6.049  -1.999  -0.650

  No H/Q in entry =           4
  In of MODEL    4
    1    H    GLU  38           H        GLU  38  -5.153   2.071   1.115
    2    HA   GLU  38           HA       GLU  38  -4.896   2.749  -1.737
    3    HB2  GLU  38           HB2      GLU  38  -6.752   3.859  -0.576
    4    HB3  GLU  38           HB3      GLU  38  -5.627   4.520   0.603
    5    HG2  GLU  38           HG2      GLU  38  -5.603   6.319  -0.706
    6    HG3  GLU  38           HG3      GLU  38  -4.541   5.373  -1.747

  No H/Q in entry =           6
  In of MODEL    4
    1    H    CYS  39           H        CYS  39  -2.786   2.709  -2.254
    2    HA   CYS  39           HA       CYS  39  -0.665   3.242  -0.488
    3    HB2  CYS  39           HB2      CYS  39  -0.792   3.263  -3.509
    4    HB3  CYS  39           HB3      CYS  39   0.706   3.446  -2.601

  No H/Q in entry =           4
  In of MODEL    4
    1    HA   PRO  40           HA       PRO  40  -0.773   7.661  -0.057
    2    HB2  PRO  40           HB2      PRO  40   2.192   7.362  -0.009
    3    HB3  PRO  40           HB3      PRO  40   1.126   8.192   1.130
    4    HG2  PRO  40           HG2      PRO  40   2.185   5.830   1.743
    5    HG3  PRO  40           HG3      PRO  40   0.517   6.225   2.198
    6    HD2  PRO  40           HD2      PRO  40   1.520   4.464   0.007
    7    HD3  PRO  40           HD3      PRO  40   0.079   4.288   1.029

  No H/Q in entry =           7
  In of MODEL    4
    1    H    SER  41           H        SER  41   0.513   9.596  -0.994
    2    HA   SER  41           HA       SER  41   0.928   9.082  -3.864
    3    HB2  SER  41           HB2      SER  41   0.429  11.857  -2.949
    4    HB3  SER  41           HB3      SER  41  -0.181  11.010  -4.370
    5    HG   SER  41           HG       SER  41  -1.323  11.336  -1.926

  No H/Q in entry =           5
  In of MODEL    4
    1    H    TYR  42           H        TYR  42   2.956   8.816  -1.790
    2    HA   TYR  42           HA       TYR  42   4.985  10.450  -3.029
    3    HB2  TYR  42           HB2      TYR  42   5.786  11.511  -1.019
    4    HB3  TYR  42           HB3      TYR  42   4.080  11.902  -1.208
    5    HD1  TYR  42           HD1      TYR  42   2.510  11.328   0.465
    6    HD2  TYR  42           HD2      TYR  42   6.456   9.750   0.647
    7    HE1  TYR  42           HE1      TYR  42   2.067  10.498   2.737
    8    HE2  TYR  42           HE2      TYR  42   6.025   8.915   2.918
    9    HH   TYR  42           HH       TYR  42   3.455   8.286   4.191

  No H/Q in entry =           9
  In of MODEL    4
    1    HA   PRO  43           HA       PRO  43   7.266   6.753  -2.193
    2    HB2  PRO  43           HB2      PRO  43   9.787   7.648  -2.570
    3    HB3  PRO  43           HB3      PRO  43   8.651   7.427  -3.907
    4    HG2  PRO  43           HG2      PRO  43   9.404   9.938  -2.457
    5    HG3  PRO  43           HG3      PRO  43   9.206   9.670  -4.199
    6    HD2  PRO  43           HD2      PRO  43   7.291  10.826  -2.661
    7    HD3  PRO  43           HD3      PRO  43   6.914   9.847  -4.093

  No H/Q in entry =           7
  In of MODEL    4
    1    H    GLY  44           H        GLY  44   8.063   5.746  -0.431
    2    HA3  GLY  44           HA2      GLY  44   8.192   7.032   2.054
    3    HA2  GLY  44           HA3      GLY  44   8.817   5.426   1.713

  No H/Q in entry =           3
  In of MODEL    4
    1    H    ASN  45           H        ASN  45  10.203   6.710   3.521
    2    HA   ASN  45           HA       ASN  45  12.277   7.442   4.100
    3    HB2  ASN  45           HB2      ASN  45  12.861   6.530   1.280
    4    HB3  ASN  45           HB3      ASN  45  14.107   7.077   2.397
    5   HD21  ASN  45          HD21      ASN  45  12.936   4.418   1.116
    6   HD22  ASN  45          HD22      ASN  45  13.122   3.300   2.420

  No H/Q in entry =           6
  In of MODEL    4
    1    H    GLY  46           H        GLY  46  11.331   9.592   4.238
    2    HA3  GLY  46           HA2      GLY  46  12.903  11.571   3.081
    3    HA2  GLY  46           HA3      GLY  46  11.461  11.437   2.086

  No H/Q in entry =           3
  In of MODEL    5
    1    H1   ALA   1           H3       ALA   1 -12.453  -6.583  10.709
    2    H2   ALA   1           H2       ALA   1 -13.068  -8.175  10.527
    3    H3   ALA   1           H1       ALA   1 -11.998  -7.526   9.352
    4    HA   ALA   1           HA       ALA   1 -14.033  -7.372   8.377
    5    HB1  ALA   1           HB1      ALA   1 -15.535  -7.929  10.064
    6    HB3  ALA   1           HB2      ALA   1 -15.945  -6.256   9.687
    7    HB2  ALA   1           HB3      ALA   1 -14.984  -6.627  11.118

  No H/Q in entry =           7
  In of MODEL    5
    1    H    MET   2           H        MET   2 -11.712  -5.637   8.758
    2    HA   MET   2           HA       MET   2 -12.478  -2.937   9.011
    3    HB2  MET   2           HB2      MET   2 -10.167  -3.925   7.347
    4    HB3  MET   2           HB3      MET   2 -10.313  -2.391   8.195
    5    HG2  MET   2           HG2      MET   2 -10.524  -4.035  10.280
    6    HG3  MET   2           HG3      MET   2  -9.572  -5.064   9.212
    7    HE2  MET   2           HE1      MET   2  -9.124  -2.275  11.978
    8    HE1  MET   2           HE2      MET   2 -10.016  -1.593  10.617
    9    HE3  MET   2           HE3      MET   2  -8.389  -1.019  10.982

  No H/Q in entry =           9
  In of MODEL    5
    1    H    ASP   3           H        ASP   3 -11.929  -1.402   7.034
    2    HA   ASP   3           HA       ASP   3 -13.706  -2.265   4.861
    3    HB2  ASP   3           HB2      ASP   3 -13.075   0.378   6.097
    4    HB3  ASP   3           HB3      ASP   3 -13.541   0.343   4.399

  No H/Q in entry =           4
  In of MODEL    5
    1    H    CYS   4           H        CYS   4 -11.941  -3.481   3.892
    2    HA   CYS   4           HA       CYS   4  -9.514  -2.399   3.050
    3    HB2  CYS   4           HB2      CYS   4  -9.635  -4.182   1.250
    4    HB3  CYS   4           HB3      CYS   4  -9.718  -4.720   2.921

  No H/Q in entry =           4
  In of MODEL    5
    1    H    THR   5           H        THR   5  -8.806  -1.514   1.121
    2    HA   THR   5           HA       THR   5 -10.912  -0.368  -0.587
    3    HB   THR   5           HB       THR   5  -8.203   0.780   0.087
    4    HG1  THR   5           HG1      THR   5  -9.209   1.665   1.677
    5   HG23  THR   5          HG21      THR   5  -8.653   1.598  -2.048
    6   HG22  THR   5          HG22      THR   5  -9.224   2.862  -0.959
    7   HG21  THR   5          HG23      THR   5 -10.377   1.764  -1.718

  No H/Q in entry =           7
  In of MODEL    5
    1    H    THR   6           H        THR   6 -10.947  -1.822  -2.242
    2    HA   THR   6           HA       THR   6  -8.944  -3.328  -3.313
    3    HB   THR   6           HB       THR   6 -10.288  -2.836  -5.570
    4    HG1  THR   6           HG1      THR   6 -12.407  -2.204  -5.036
    5   HG21  THR   6          HG21      THR   6 -10.533  -4.713  -3.497
    6   HG23  THR   6          HG22      THR   6 -11.105  -4.842  -5.161
    7   HG22  THR   6          HG23      THR   6 -12.166  -4.192  -3.911

  No H/Q in entry =           7
  In of MODEL    5
    1    H    GLY   7           H        GLY   7  -6.942  -2.402  -3.487
    2    HA3  GLY   7           HA2      GLY   7  -6.486  -0.800  -5.840
    3    HA2  GLY   7           HA3      GLY   7  -6.177   0.059  -4.339

  No H/Q in entry =           3
  In of MODEL    5
    1    HA   PRO   8           HA       PRO   8  -2.230  -2.013  -5.556
    2    HB2  PRO   8           HB2      PRO   8  -0.633   0.045  -4.755
    3    HB3  PRO   8           HB3      PRO   8  -1.360  -0.054  -6.362
    4    HG2  PRO   8           HG2      PRO   8  -2.238   1.517  -3.979
    5    HG3  PRO   8           HG3      PRO   8  -2.212   1.990  -5.685
    6    HD2  PRO   8           HD2      PRO   8  -4.472   1.209  -4.401
    7    HD3  PRO   8           HD3      PRO   8  -4.203   0.936  -6.135

  No H/Q in entry =           7
  In of MODEL    5
    1    H    CYS   9           H        CYS   9  -2.513   0.085  -2.659
    2    HA   CYS   9           HA       CYS   9  -0.699  -1.372  -1.088
    3    HB2  CYS   9           HB2      CYS   9  -2.479   0.857  -0.723
    4    HB3  CYS   9           HB3      CYS   9  -2.607  -0.227   0.656

  No H/Q in entry =           4
  In of MODEL    5
    1    H    CYS  10           H        CYS  10  -4.093  -1.835  -1.741
    2    HA   CYS  10           HA       CYS  10  -4.445  -3.766   0.378
    3    HB2  CYS  10           HB2      CYS  10  -6.154  -2.172  -1.130
    4    HB3  CYS  10           HB3      CYS  10  -6.486  -3.805  -1.695

  No H/Q in entry =           4
  In of MODEL    5
    1    H    ARG  11           H        ARG  11  -4.398  -5.943   0.221
    2    HA   ARG  11           HA       ARG  11  -3.384  -7.066  -2.276
    3    HB2  ARG  11           HB2      ARG  11  -2.162  -7.593  -0.217
    4    HB3  ARG  11           HB3      ARG  11  -3.619  -8.287   0.481
    5    HG2  ARG  11           HG2      ARG  11  -3.455  -9.749  -1.763
    6    HG3  ARG  11           HG3      ARG  11  -1.744  -9.404  -1.498
    7    HD2  ARG  11           HD2      ARG  11  -3.594 -10.540   0.593
    8    HD3  ARG  11           HD3      ARG  11  -2.543 -11.514  -0.435
    9    HE   ARG  11           HE       ARG  11  -1.773  -9.960   1.853
   10   HH11  ARG  11          HH11      ARG  11  -0.671 -11.344  -1.155
   11   HH12  ARG  11          HH12      ARG  11   0.988 -11.402  -0.665
   12   HH21  ARG  11          HH21      ARG  11   0.409 -10.035   2.500
   13   HH22  ARG  11          HH22      ARG  11   1.602 -10.659   1.410

  No H/Q in entry =          13
  In of MODEL    5
    1    H    GLN  12           H        GLN  12  -5.580  -8.334   0.212
    2    HA   GLN  12           HA       GLN  12  -7.380  -9.210  -1.950
    3    HB2  GLN  12           HB2      GLN  12  -6.558 -10.592   0.591
    4    HB3  GLN  12           HB3      GLN  12  -8.052 -11.015  -0.233
    5    HG2  GLN  12           HG2      GLN  12  -6.289 -11.116  -2.285
    6    HG3  GLN  12           HG3      GLN  12  -5.271 -11.616  -0.934
    7   HE21  GLN  12          HE21      GLN  12  -5.489 -13.615  -0.118
    8   HE22  GLN  12          HE22      GLN  12  -6.645 -14.777  -0.663

  No H/Q in entry =           8
  In of MODEL    5
    1    H    CYS  13           H        CYS  13  -7.051  -7.635   1.117
    2    HA   CYS  13           HA       CYS  13  -9.184  -6.036   1.094
    3    HB2  CYS  13           HB2      CYS  13 -10.691  -7.973   0.871
    4    HB3  CYS  13           HB3      CYS  13 -10.053  -8.647   2.365

  No H/Q in entry =           4
  In of MODEL    5
    1    H    LYS  14           H        LYS  14  -6.697  -5.925   2.115
    2    HA   LYS  14           HA       LYS  14  -7.162  -5.087   4.797
    3    HB2  LYS  14           HB2      LYS  14  -6.694  -7.727   4.715
    4    HB3  LYS  14           HB3      LYS  14  -5.032  -7.154   4.735
    5    HG2  LYS  14           HG2      LYS  14  -5.169  -6.397   6.865
    6    HG3  LYS  14           HG3      LYS  14  -6.877  -5.973   6.722
    7    HD2  LYS  14           HD2      LYS  14  -5.922  -8.825   6.783
    8    HD3  LYS  14           HD3      LYS  14  -6.300  -7.923   8.252
    9    HE2  LYS  14           HE2      LYS  14  -8.566  -7.658   7.614
   10    HE3  LYS  14           HE3      LYS  14  -8.241  -8.210   5.971
   11    HZ2  LYS  14           HZ1      LYS  14  -9.333  -9.883   7.418
   12    HZ1  LYS  14           HZ2      LYS  14  -7.940  -9.923   8.375
   13    HZ3  LYS  14           HZ3      LYS  14  -7.867 -10.411   6.758

  No H/Q in entry =          13
  In of MODEL    5
    1    H    LEU  15           H        LEU  15  -5.885  -3.409   5.176
    2    HA   LEU  15           HA       LEU  15  -4.147  -2.285   3.379
    3    HB2  LEU  15           HB2      LEU  15  -3.433  -1.901   6.231
    4    HB3  LEU  15           HB3      LEU  15  -3.652  -0.715   4.962
    5    HG   LEU  15           HG       LEU  15  -5.825  -2.084   6.546
    6   HD12  LEU  15          HD11      LEU  15  -5.659   0.837   6.437
    7   HD11  LEU  15          HD12      LEU  15  -4.300   0.054   7.245
    8   HD13  LEU  15          HD13      LEU  15  -5.947  -0.239   7.805
    9   HD23  LEU  15          HD21      LEU  15  -7.122  -0.179   5.195
   10   HD22  LEU  15          HD22      LEU  15  -6.967  -1.834   4.605
   11   HD21  LEU  15          HD23      LEU  15  -5.886  -0.578   4.002

  No H/Q in entry =          11
  In of MODEL    5
    1    H    LYS  16           H        LYS  16  -2.301  -3.000   2.536
    2    HA   LYS  16           HA       LYS  16  -0.857  -5.197   3.358
    3    HB2  LYS  16           HB2      LYS  16  -0.326  -2.887   1.596
    4    HB3  LYS  16           HB3      LYS  16   1.104  -3.717   2.192
    5    HG2  LYS  16           HG2      LYS  16   0.426  -5.771   1.219
    6    HG3  LYS  16           HG3      LYS  16  -1.177  -5.135   0.843
    7    HD2  LYS  16           HD2      LYS  16   0.128  -3.378  -0.553
    8    HD3  LYS  16           HD3      LYS  16   1.451  -4.543  -0.463
    9    HE2  LYS  16           HE2      LYS  16  -1.321  -5.134  -1.495
   10    HE3  LYS  16           HE3      LYS  16   0.086  -4.799  -2.503
   11    HZ2  LYS  16           HZ1      LYS  16  -0.431  -7.199  -2.193
   12    HZ1  LYS  16           HZ2      LYS  16  -0.036  -7.034  -0.557
   13    HZ3  LYS  16           HZ3      LYS  16   1.141  -6.767  -1.741

  No H/Q in entry =          13
  In of MODEL    5
    1    HA   PRO  17           HA       PRO  17   1.270  -4.175   7.086
    2    HB2  PRO  17           HB2      PRO  17   3.726  -5.359   6.470
    3    HB3  PRO  17           HB3      PRO  17   2.348  -6.165   7.224
    4    HG2  PRO  17           HG2      PRO  17   3.214  -6.155   4.370
    5    HG3  PRO  17           HG3      PRO  17   2.502  -7.468   5.326
    6    HD2  PRO  17           HD2      PRO  17   1.052  -6.109   3.532
    7    HD3  PRO  17           HD3      PRO  17   0.343  -6.648   5.070

  No H/Q in entry =           7
  In of MODEL    5
    1    H    ALA  18           H        ALA  18   2.055  -2.237   7.581
    2    HA   ALA  18           HA       ALA  18   3.079  -0.341   5.918
    3    HB1  ALA  18           HB1      ALA  18   3.764  -0.764   8.824
    4    HB3  ALA  18           HB2      ALA  18   2.424   0.182   8.178
    5    HB2  ALA  18           HB3      ALA  18   4.084   0.715   7.919

  No H/Q in entry =           5
  In of MODEL    5
    1    H    GLY  19           H        GLY  19   5.264   0.566   5.696
    2    HA3  GLY  19           HA2      GLY  19   7.479   0.383   5.120
    3    HA2  GLY  19           HA3      GLY  19   7.596  -0.876   6.342

  No H/Q in entry =           3
  In of MODEL    5
    1    H    THR  20           H        THR  20   5.312  -1.242   3.768
    2    HA   THR  20           HA       THR  20   7.114  -3.156   2.439
    3    HB   THR  20           HB       THR  20   4.134  -3.482   2.848
    4    HG1  THR  20           HG1      THR  20   4.589  -4.640   4.547
    5   HG23  THR  20          HG21      THR  20   4.182  -5.418   1.695
    6   HG22  THR  20          HG22      THR  20   5.860  -5.759   2.115
    7   HG21  THR  20          HG23      THR  20   5.488  -4.592   0.846

  No H/Q in entry =           7
  In of MODEL    5
    1    H    THR  21           H        THR  21   7.397  -2.795   0.338
    2    HA   THR  21           HA       THR  21   6.434  -0.587  -1.003
    3    HB   THR  21           HB       THR  21   6.925  -2.689  -2.901
    4    HG1  THR  21           HG1      THR  21   8.788  -3.522  -2.150
    5   HG22  THR  21          HG21      THR  21   9.123  -1.339  -3.104
    6   HG21  THR  21          HG22      THR  21   8.309  -0.202  -2.028
    7   HG23  THR  21          HG23      THR  21   7.594  -0.605  -3.589

  No H/Q in entry =           7
  In of MODEL    5
    1    H    CYS  22           H        CYS  22   4.415  -0.073  -1.480
    2    HA   CYS  22           HA       CYS  22   2.491  -2.195  -2.076
    3    HB2  CYS  22           HB2      CYS  22   0.800  -0.343  -1.873
    4    HB3  CYS  22           HB3      CYS  22   1.711  -0.674  -0.404

  No H/Q in entry =           4
  In of MODEL    5
    1    H    TRP  23           H        TRP  23   4.589  -1.182  -3.971
    2    HA   TRP  23           HA       TRP  23   2.928  -1.108  -6.275
    3    HB2  TRP  23           HB2      TRP  23   3.146   1.343  -5.157
    4    HB3  TRP  23           HB3      TRP  23   4.550   1.359  -6.219
    5    HD1  TRP  23           HD1      TRP  23   2.488  -0.682  -8.175
    6    HE1  TRP  23           HE1      TRP  23   1.027   0.628  -9.840
    7    HE3  TRP  23           HE3      TRP  23   2.837   3.957  -6.077
    8    HZ2  TRP  23           HZ2      TRP  23   0.139   3.274 -10.208
    9    HZ3  TRP  23           HZ3      TRP  23   1.659   5.830  -7.152
   10    HH2  TRP  23           HH2      TRP  23   0.341   5.493  -9.177

  No H/Q in entry =          10
  In of MODEL    5
    1    H    LYS  24           H        LYS  24   6.078   0.399  -5.651
    2    HA   LYS  24           HA       LYS  24   8.152  -0.008  -6.498
    3    HB2  LYS  24           HB2      LYS  24   7.824  -2.176  -5.328
    4    HB3  LYS  24           HB3      LYS  24   7.143  -2.843  -6.806
    5    HG2  LYS  24           HG2      LYS  24   9.176  -2.906  -7.877
    6    HG3  LYS  24           HG3      LYS  24   9.866  -1.632  -6.870
    7    HD2  LYS  24           HD2      LYS  24   9.373  -3.527  -5.005
    8    HD3  LYS  24           HD3      LYS  24   9.710  -4.538  -6.412
    9    HE2  LYS  24           HE2      LYS  24  11.836  -3.403  -6.740
   10    HE3  LYS  24           HE3      LYS  24  11.494  -2.337  -5.377
   11    HZ1  LYS  24           HZ1      LYS  24  11.225  -4.711  -4.218
   12    HZ3  LYS  24           HZ2      LYS  24  12.692  -3.871  -4.275
   13    HZ2  LYS  24           HZ3      LYS  24  12.380  -5.103  -5.391

  No H/Q in entry =          13
  In of MODEL    5
    1    H    THR  25           H        THR  25   5.919   0.751  -8.254
    2    HA   THR  25           HA       THR  25   5.886  -0.538 -10.703
    3    HB   THR  25           HB       THR  25   5.635   2.422 -10.117
    4    HG1  THR  25           HG1      THR  25   3.743   1.909  -9.430
    5   HG23  THR  25          HG21      THR  25   4.446   2.673 -12.162
    6   HG22  THR  25          HG22      THR  25   4.573   0.948 -12.511
    7   HG21  THR  25          HG23      THR  25   6.017   1.960 -12.528

  No H/Q in entry =           7
  In of MODEL    5
    1    H    SER  26           H        SER  26   6.916  -0.014 -12.732
    2    HA   SER  26           HA       SER  26   9.752   0.341 -12.436
    3    HB2  SER  26           HB2      SER  26   8.712  -1.266 -14.056
    4    HB3  SER  26           HB3      SER  26   8.154   0.118 -14.997
    5    HG   SER  26           HG       SER  26  10.197  -0.825 -15.681

  No H/Q in entry =           5
  In of MODEL    5
    1    H    VAL  27           H        VAL  27   8.892   2.605 -11.498
    2    HA   VAL  27           HA       VAL  27  10.126   4.623 -12.877
    3    HB   VAL  27           HB       VAL  27   8.411   4.409 -14.623
    4   HG12  VAL  27          HG11      VAL  27   6.236   5.477 -12.962
    5   HG11  VAL  27          HG12      VAL  27   6.682   3.804 -12.628
    6   HG13  VAL  27          HG13      VAL  27   6.197   4.278 -14.255
    7   HG23  VAL  27          HG21      VAL  27   7.880   6.948 -13.104
    8   HG22  VAL  27          HG22      VAL  27   7.899   6.698 -14.850
    9   HG21  VAL  27          HG23      VAL  27   9.405   6.639 -13.935

  No H/Q in entry =           9
  In of MODEL    5
    1    H    SER  28           H        SER  28   7.453   3.710 -10.815
    2    HA   SER  28           HA       SER  28   8.221   5.821  -8.937
    3    HB2  SER  28           HB2      SER  28   6.105   6.321 -10.427
    4    HB3  SER  28           HB3      SER  28   5.309   5.224  -9.299
    5    HG   SER  28           HG       SER  28   6.477   7.733  -8.827

  No H/Q in entry =           5
  In of MODEL    5
    1    H    SER  29           H        SER  29   9.021   4.564  -7.345
    2    HA   SER  29           HA       SER  29   7.507   2.197  -6.505
    3    HB2  SER  29           HB2      SER  29   9.810   1.684  -6.814
    4    HB3  SER  29           HB3      SER  29  10.326   3.132  -5.950
    5    HG   SER  29           HG       SER  29   9.151   0.785  -4.897

  No H/Q in entry =           5
  In of MODEL    5
    1    H    HIS  30           H        HIS  30   6.359   2.162  -4.678
    2    HA   HIS  30           HA       HIS  30   6.745   4.353  -2.747
    3    HB2  HIS  30           HB2      HIS  30   4.089   3.130  -3.498
    4    HB3  HIS  30           HB3      HIS  30   4.358   4.520  -2.450
    5    HD1  HIS  30           HD1      HIS  30   3.471   6.480  -3.689
    6    HD2  HIS  30           HD2      HIS  30   5.644   3.941  -6.154
    7    HE1  HIS  30           HE1      HIS  30   3.554   7.622  -5.930
    8    HE2  HIS  30           HE2      HIS  30   4.750   6.000  -7.432

  No H/Q in entry =           8
  In of MODEL    5
    1    H    TYR  31           H        TYR  31   5.086   3.657  -0.762
    2    HA   TYR  31           HA       TYR  31   5.489   0.859  -0.077
    3    HB2  TYR  31           HB2      TYR  31   6.990   3.112   1.147
    4    HB3  TYR  31           HB3      TYR  31   6.389   1.868   2.238
    5    HD1  TYR  31           HD1      TYR  31   7.323  -0.349   2.227
    6    HD2  TYR  31           HD2      TYR  31   8.668   2.569  -0.560
    7    HE1  TYR  31           HE1      TYR  31   9.248  -1.773   1.676
    8    HE2  TYR  31           HE2      TYR  31  10.598   1.152  -1.121
    9    HH   TYR  31           HH       TYR  31  11.903  -0.645  -0.165

  No H/Q in entry =           9
  In of MODEL    5
    1    H    CYS  32           H        CYS  32   4.029   0.088   1.407
    2    HA   CYS  32           HA       CYS  32   1.723   1.729   1.908
    3    HB2  CYS  32           HB2      CYS  32   2.054  -0.940   1.523
    4    HB3  CYS  32           HB3      CYS  32   1.927  -0.882   3.276

  No H/Q in entry =           4
  In of MODEL    5
    1    H    THR  33           H        THR  33   0.914   2.382   3.906
    2    HA   THR  33           HA       THR  33   2.950   2.600   6.003
    3    HB   THR  33           HB       THR  33   1.812   4.515   6.791
    4    HG1  THR  33           HG1      THR  33  -0.272   4.362   6.829
    5   HG21  THR  33          HG21      THR  33   1.483   4.564   3.801
    6   HG23  THR  33          HG22      THR  33   2.946   4.985   4.690
    7   HG22  THR  33          HG23      THR  33   1.492   5.967   4.870

  No H/Q in entry =           7
  In of MODEL    5
    1    H    GLY  34           H        GLY  34   0.982   0.293   5.394
    2    HA3  GLY  34           HA2      GLY  34  -0.353  -1.166   6.575
    3    HA2  GLY  34           HA3      GLY  34   0.708  -0.753   7.912

  No H/Q in entry =           3
  In of MODEL    5
    1    H    ARG  35           H        ARG  35  -1.314   1.659   6.421
    2    HA   ARG  35           HA       ARG  35  -3.298   1.424   8.556
    3    HB2  ARG  35           HB2      ARG  35  -1.266   3.148   8.919
    4    HB3  ARG  35           HB3      ARG  35  -2.349   4.176   7.991
    5    HG2  ARG  35           HG2      ARG  35  -2.932   4.638  10.180
    6    HG3  ARG  35           HG3      ARG  35  -4.142   3.450   9.692
    7    HD2  ARG  35           HD2      ARG  35  -3.350   1.871  11.099
    8    HD3  ARG  35           HD3      ARG  35  -1.671   2.351  10.859
    9    HE   ARG  35           HE       ARG  35  -3.459   3.260  12.917
   10   HH11  ARG  35          HH11      ARG  35  -0.598   4.026  11.070
   11   HH12  ARG  35          HH12      ARG  35   0.041   5.099  12.270
   12   HH21  ARG  35          HH21      ARG  35  -2.620   4.670  14.496
   13   HH22  ARG  35          HH22      ARG  35  -1.106   5.464  14.215

  No H/Q in entry =          13
  In of MODEL    5
    1    H    SER  36           H        SER  36  -3.053   1.178   5.510
    2    HA   SER  36           HA       SER  36  -5.631   2.060   4.866
    3    HB2  SER  36           HB2      SER  36  -4.062   4.235   4.935
    4    HB3  SER  36           HB3      SER  36  -3.731   3.713   3.284
    5    HG   SER  36           HG       SER  36  -6.216   4.407   4.441

  No H/Q in entry =           5
  In of MODEL    5
    1    H    CYS  37           H        CYS  37  -6.214   1.586   2.650
    2    HA   CYS  37           HA       CYS  37  -4.388  -0.380   1.466
    3    HB2  CYS  37           HB2      CYS  37  -7.336  -0.081   1.591
    4    HB3  CYS  37           HB3      CYS  37  -6.679  -0.764   0.108

  No H/Q in entry =           4
  In of MODEL    5
    1    H    GLU  38           H        GLU  38  -4.502   2.686   1.159
    2    HA   GLU  38           HA       GLU  38  -4.644   2.734  -1.784
    3    HB2  GLU  38           HB2      GLU  38  -5.012   5.005   0.177
    4    HB3  GLU  38           HB3      GLU  38  -5.024   5.171  -1.573
    5    HG2  GLU  38           HG2      GLU  38  -6.901   3.252  -1.229
    6    HG3  GLU  38           HG3      GLU  38  -7.102   4.193   0.248

  No H/Q in entry =           6
  In of MODEL    5
    1    H    CYS  39           H        CYS  39  -2.546   2.163  -2.231
    2    HA   CYS  39           HA       CYS  39  -0.219   2.942  -0.984
    3    HB2  CYS  39           HB2      CYS  39  -0.485   1.270  -2.863
    4    HB3  CYS  39           HB3      CYS  39  -0.507   2.633  -3.976

  No H/Q in entry =           4
  In of MODEL    5
    1    HA   PRO  40           HA       PRO  40  -0.574   7.444  -1.440
    2    HB2  PRO  40           HB2      PRO  40   2.272   7.067  -0.598
    3    HB3  PRO  40           HB3      PRO  40   1.074   8.233  -0.022
    4    HG2  PRO  40           HG2      PRO  40   1.667   6.081   1.424
    5    HG3  PRO  40           HG3      PRO  40  -0.001   6.672   1.314
    6    HD2  PRO  40           HD2      PRO  40   1.255   4.297   0.039
    7    HD3  PRO  40           HD3      PRO  40  -0.420   4.541   0.572

  No H/Q in entry =           7
  In of MODEL    5
    1    H    SER  41           H        SER  41   0.659   9.092  -2.634
    2    HA   SER  41           HA       SER  41   1.783   7.945  -5.081
    3    HB2  SER  41           HB2      SER  41   0.789  10.745  -4.497
    4    HB3  SER  41           HB3      SER  41   1.386  10.184  -6.059
    5    HG   SER  41           HG       SER  41  -1.062   9.897  -4.971

  No H/Q in entry =           5
  In of MODEL    5
    1    H    TYR  42           H        TYR  42   3.316   8.136  -2.593
    2    HA   TYR  42           HA       TYR  42   5.553   9.710  -3.648
    3    HB2  TYR  42           HB2      TYR  42   6.079  10.614  -1.465
    4    HB3  TYR  42           HB3      TYR  42   4.418  11.033  -1.871
    5    HD1  TYR  42           HD1      TYR  42   2.651  10.439  -0.441
    6    HD2  TYR  42           HD2      TYR  42   6.475   8.656   0.105
    7    HE1  TYR  42           HE1      TYR  42   1.884   9.458   1.680
    8    HE2  TYR  42           HE2      TYR  42   5.719   7.669   2.226
    9    HH   TYR  42           HH       TYR  42   3.742   8.415   4.002

  No H/Q in entry =           9
  In of MODEL    5
    1    HA   PRO  43           HA       PRO  43   7.828   6.025  -2.767
    2    HB2  PRO  43           HB2      PRO  43  10.342   7.005  -2.677
    3    HB3  PRO  43           HB3      PRO  43   9.428   6.886  -4.186
    4    HG2  PRO  43           HG2      PRO  43   9.871   9.266  -2.422
    5    HG3  PRO  43           HG3      PRO  43   9.942   9.156  -4.191
    6    HD2  PRO  43           HD2      PRO  43   7.781  10.123  -2.857
    7    HD3  PRO  43           HD3      PRO  43   7.655   9.283  -4.415

  No H/Q in entry =           7
  In of MODEL    5
    1    H    GLY  44           H        GLY  44   8.720   4.889  -1.069
    2    HA3  GLY  44           HA2      GLY  44   9.435   4.440   1.074
    3    HA2  GLY  44           HA3      GLY  44   9.845   6.142   1.235

  No H/Q in entry =           3
  In of MODEL    5
    1    H    ASN  45           H        ASN  45   9.051   5.959   3.421
    2    HA   ASN  45           HA       ASN  45   6.121   6.212   3.536
    3    HB2  ASN  45           HB2      ASN  45   6.822   4.035   4.476
    4    HB3  ASN  45           HB3      ASN  45   7.866   4.876   5.617
    5   HD21  ASN  45          HD21      ASN  45   6.728   3.926   7.335
    6   HD22  ASN  45          HD22      ASN  45   5.172   4.504   7.812

  No H/Q in entry =           6
  In of MODEL    5
    1    H    GLY  46           H        GLY  46   5.346   7.467   5.404
    2    HA3  GLY  46           HA2      GLY  46   7.121   9.745   5.858
    3    HA2  GLY  46           HA3      GLY  46   5.390   9.704   6.153

  No H/Q in entry =           3
  In of MODEL    6
    1    H1   ALA   1           H3       ALA   1 -20.127  -6.827   7.783
    2    H2   ALA   1           H2       ALA   1 -21.466  -6.594   8.832
    3    H3   ALA   1           H1       ALA   1 -21.478  -5.911   7.258
    4    HA   ALA   1           HA       ALA   1 -21.008  -4.168   8.637
    5    HB1  ALA   1           HB1      ALA   1 -19.145  -4.341  10.327
    6    HB3  ALA   1           HB2      ALA   1 -19.168  -6.082  10.049
    7    HB2  ALA   1           HB3      ALA   1 -20.598  -5.273  10.689

  No H/Q in entry =           7
  In of MODEL    6
    1    H    MET   2           H        MET   2 -17.949  -5.961   8.383
    2    HA   MET   2           HA       MET   2 -16.791  -3.783   6.865
    3    HB2  MET   2           HB2      MET   2 -15.643  -6.382   7.890
    4    HB3  MET   2           HB3      MET   2 -14.713  -5.192   6.989
    5    HG2  MET   2           HG2      MET   2 -16.163  -4.165   9.332
    6    HG3  MET   2           HG3      MET   2 -14.851  -5.292   9.673
    7    HE1  MET   2           HE1      MET   2 -15.877  -2.185   7.653
    8    HE3  MET   2           HE2      MET   2 -14.730  -2.844   6.487
    9    HE2  MET   2           HE3      MET   2 -14.355  -1.349   7.345

  No H/Q in entry =           9
  In of MODEL    6
    1    H    ASP   3           H        ASP   3 -15.747  -4.055   4.821
    2    HA   ASP   3           HA       ASP   3 -16.669  -6.363   3.252
    3    HB2  ASP   3           HB2      ASP   3 -18.081  -4.257   2.908
    4    HB3  ASP   3           HB3      ASP   3 -16.658  -3.560   2.139

  No H/Q in entry =           4
  In of MODEL    6
    1    H    CYS   4           H        CYS   4 -14.104  -5.839   4.453
    2    HA   CYS   4           HA       CYS   4 -11.889  -5.972   3.949
    3    HB2  CYS   4           HB2      CYS   4 -13.167  -6.847   1.384
    4    HB3  CYS   4           HB3      CYS   4 -11.424  -6.617   1.453

  No H/Q in entry =           4
  In of MODEL    6
    1    H    THR   5           H        THR   5 -10.183  -5.110   2.284
    2    HA   THR   5           HA       THR   5 -10.986  -2.499   1.228
    3    HB   THR   5           HB       THR   5  -8.377  -2.553   2.612
    4    HG1  THR   5           HG1      THR   5  -9.140  -3.103   4.466
    5   HG23  THR   5          HG21      THR   5  -8.763  -0.339   3.045
    6   HG22  THR   5          HG22      THR   5 -10.516  -0.537   3.073
    7   HG21  THR   5          HG23      THR   5  -9.651  -0.552   1.536

  No H/Q in entry =           7
  In of MODEL    6
    1    H    THR   6           H        THR   6 -10.579  -2.801  -0.880
    2    HA   THR   6           HA       THR   6  -8.245  -4.310  -1.731
    3    HB   THR   6           HB       THR   6  -9.184  -3.895  -4.030
    4    HG1  THR   6           HG1      THR   6 -10.365  -1.967  -3.301
    5   HG22  THR   6          HG21      THR   6 -11.177  -5.310  -3.782
    6   HG21  THR   6          HG22      THR   6 -11.049  -5.145  -2.030
    7   HG23  THR   6          HG23      THR   6  -9.769  -5.953  -2.935

  No H/Q in entry =           7
  In of MODEL    6
    1    H    GLY   7           H        GLY   7  -6.806  -3.455  -3.409
    2    HA3  GLY   7           HA2      GLY   7  -6.369  -1.117  -4.493
    3    HA2  GLY   7           HA3      GLY   7  -6.120  -0.667  -2.815

  No H/Q in entry =           3
  In of MODEL    6
    1    HA   PRO   8           HA       PRO   8  -2.112  -2.231  -4.694
    2    HB2  PRO   8           HB2      PRO   8  -0.646   0.015  -4.331
    3    HB3  PRO   8           HB3      PRO   8  -1.631  -0.257  -5.771
    4    HG2  PRO   8           HG2      PRO   8  -2.240   1.378  -3.342
    5    HG3  PRO   8           HG3      PRO   8  -2.530   1.757  -5.049
    6    HD2  PRO   8           HD2      PRO   8  -4.474   0.846  -3.379
    7    HD3  PRO   8           HD3      PRO   8  -4.465   0.520  -5.123

  No H/Q in entry =           7
  In of MODEL    6
    1    H    CYS   9           H        CYS   9  -2.711  -0.248  -1.813
    2    HA   CYS   9           HA       CYS   9  -0.495  -1.569  -0.426
    3    HB2  CYS   9           HB2      CYS   9  -0.678   0.900  -0.283
    4    HB3  CYS   9           HB3      CYS   9  -2.244   0.722   0.494

  No H/Q in entry =           4
  In of MODEL    6
    1    H    CYS  10           H        CYS  10  -2.655  -3.222  -1.011
    2    HA   CYS  10           HA       CYS  10  -3.499  -3.932   1.682
    3    HB2  CYS  10           HB2      CYS  10  -5.316  -3.066  -0.498
    4    HB3  CYS  10           HB3      CYS  10  -5.822  -4.465   0.442

  No H/Q in entry =           4
  In of MODEL    6
    1    H    ARG  11           H        ARG  11  -3.899  -6.114   1.984
    2    HA   ARG  11           HA       ARG  11  -2.777  -7.836  -0.071
    3    HB2  ARG  11           HB2      ARG  11  -2.053  -8.020   2.304
    4    HB3  ARG  11           HB3      ARG  11  -3.680  -8.534   2.728
    5    HG2  ARG  11           HG2      ARG  11  -2.820 -10.589   2.488
    6    HG3  ARG  11           HG3      ARG  11  -3.110 -10.301   0.772
    7    HD2  ARG  11           HD2      ARG  11  -0.911 -10.096   0.300
    8    HD3  ARG  11           HD3      ARG  11  -0.553  -9.284   1.823
    9    HE   ARG  11           HE       ARG  11   0.097 -11.298   2.653
   10   HH11  ARG  11          HH11      ARG  11  -2.105 -11.882   0.009
   11   HH12  ARG  11          HH12      ARG  11  -1.930 -13.603   0.080
   12   HH21  ARG  11          HH21      ARG  11   0.328 -13.562   2.747
   13   HH22  ARG  11          HH22      ARG  11  -0.550 -14.557   1.634

  No H/Q in entry =          13
  In of MODEL    6
    1    H    GLN  12           H        GLN  12  -5.113  -6.901  -0.997
    2    HA   GLN  12           HA       GLN  12  -6.983  -7.651  -2.057
    3    HB2  GLN  12           HB2      GLN  12  -5.581  -9.932  -1.747
    4    HB3  GLN  12           HB3      GLN  12  -6.994 -10.318  -0.775
    5    HG2  GLN  12           HG2      GLN  12  -7.231  -9.282  -3.578
    6    HG3  GLN  12           HG3      GLN  12  -7.024 -10.997  -3.225
    7   HE21  GLN  12          HE21      GLN  12  -9.201  -8.411  -3.441
    8   HE22  GLN  12          HE22      GLN  12 -10.609  -9.230  -2.864

  No H/Q in entry =           8
  In of MODEL    6
    1    H    CYS  13           H        CYS  13  -6.709  -7.056   1.098
    2    HA   CYS  13           HA       CYS  13  -9.476  -6.731   1.495
    3    HB2  CYS  13           HB2      CYS  13  -9.457  -9.166   1.757
    4    HB3  CYS  13           HB3      CYS  13  -8.237  -9.028   3.019

  No H/Q in entry =           4
  In of MODEL    6
    1    H    LYS  14           H        LYS  14  -6.363  -7.223   3.142
    2    HA   LYS  14           HA       LYS  14  -7.046  -4.927   4.861
    3    HB2  LYS  14           HB2      LYS  14  -5.843  -7.566   5.537
    4    HB3  LYS  14           HB3      LYS  14  -5.263  -6.154   6.409
    5    HG2  LYS  14           HG2      LYS  14  -7.256  -5.818   7.476
    6    HG3  LYS  14           HG3      LYS  14  -8.197  -6.580   6.192
    7    HD2  LYS  14           HD2      LYS  14  -6.820  -8.712   6.981
    8    HD3  LYS  14           HD3      LYS  14  -6.771  -7.802   8.493
    9    HE2  LYS  14           HE2      LYS  14  -9.196  -7.646   8.500
   10    HE3  LYS  14           HE3      LYS  14  -9.272  -8.488   6.953
   11    HZ1  LYS  14           HZ1      LYS  14  -8.197  -9.639   9.471
   12    HZ3  LYS  14           HZ2      LYS  14  -8.343 -10.444   7.991
   13    HZ2  LYS  14           HZ3      LYS  14  -9.730  -9.959   8.830

  No H/Q in entry =          13
  In of MODEL    6
    1    H    LEU  15           H        LEU  15  -5.537  -3.354   5.114
    2    HA   LEU  15           HA       LEU  15  -3.663  -2.863   3.171
    3    HB2  LEU  15           HB2      LEU  15  -2.536  -1.424   5.082
    4    HB3  LEU  15           HB3      LEU  15  -4.037  -0.949   4.319
    5    HG   LEU  15           HG       LEU  15  -3.855  -0.755   6.864
    6   HD11  LEU  15          HD11      LEU  15  -6.017  -1.415   5.142
    7   HD13  LEU  15          HD12      LEU  15  -6.027  -0.453   6.620
    8   HD12  LEU  15          HD13      LEU  15  -6.277  -2.197   6.702
    9   HD23  LEU  15          HD21      LEU  15  -4.384  -3.719   6.699
   10   HD22  LEU  15          HD22      LEU  15  -4.363  -2.730   8.155
   11   HD21  LEU  15          HD23      LEU  15  -2.878  -2.981   7.241

  No H/Q in entry =          11
  In of MODEL    6
    1    H    LYS  16           H        LYS  16  -1.720  -3.606   2.680
    2    HA   LYS  16           HA       LYS  16  -0.564  -5.789   3.963
    3    HB2  LYS  16           HB2      LYS  16   0.821  -3.761   2.198
    4    HB3  LYS  16           HB3      LYS  16   1.392  -5.385   2.550
    5    HG2  LYS  16           HG2      LYS  16  -0.409  -6.366   1.344
    6    HG3  LYS  16           HG3      LYS  16  -1.220  -4.808   1.177
    7    HD2  LYS  16           HD2      LYS  16  -0.229  -4.813  -0.852
    8    HD3  LYS  16           HD3      LYS  16   1.166  -4.229   0.059
    9    HE2  LYS  16           HE2      LYS  16   2.049  -6.469   0.222
   10    HE3  LYS  16           HE3      LYS  16   0.608  -7.129  -0.551
   11    HZ2  LYS  16           HZ1      LYS  16   2.862  -5.695  -1.735
   12    HZ1  LYS  16           HZ2      LYS  16   1.337  -5.447  -2.423
   13    HZ3  LYS  16           HZ3      LYS  16   1.981  -7.009  -2.336

  No H/Q in entry =          13
  In of MODEL    6
    1    HA   PRO  17           HA       PRO  17   1.887  -4.362   7.326
    2    HB2  PRO  17           HB2      PRO  17   4.370  -5.392   6.087
    3    HB3  PRO  17           HB3      PRO  17   3.617  -5.823   7.625
    4    HG2  PRO  17           HG2      PRO  17   3.550  -7.484   5.530
    5    HG3  PRO  17           HG3      PRO  17   2.180  -7.347   6.647
    6    HD2  PRO  17           HD2      PRO  17   2.519  -6.200   3.908
    7    HD3  PRO  17           HD3      PRO  17   1.072  -6.894   4.669

  No H/Q in entry =           7
  In of MODEL    6
    1    H    ALA  18           H        ALA  18   2.250  -2.246   7.558
    2    HA   ALA  18           HA       ALA  18   3.216  -0.489   5.651
    3    HB1  ALA  18           HB1      ALA  18   3.578  -0.117   8.616
    4    HB3  ALA  18           HB2      ALA  18   2.033   0.092   7.792
    5    HB2  ALA  18           HB3      ALA  18   3.398   1.129   7.381

  No H/Q in entry =           5
  In of MODEL    6
    1    H    GLY  19           H        GLY  19   5.146  -0.254   4.748
    2    HA3  GLY  19           HA2      GLY  19   7.535   0.299   5.419
    3    HA2  GLY  19           HA3      GLY  19   7.501  -1.269   6.210

  No H/Q in entry =           3
  In of MODEL    6
    1    H    THR  20           H        THR  20   5.668  -1.752   3.571
    2    HA   THR  20           HA       THR  20   7.985  -2.517   1.925
    3    HB   THR  20           HB       THR  20   6.558  -4.371   2.988
    4    HG1  THR  20           HG1      THR  20   7.665  -5.285   1.466
    5   HG23  THR  20          HG21      THR  20   4.569  -5.045   1.806
    6   HG22  THR  20          HG22      THR  20   4.675  -3.626   0.764
    7   HG21  THR  20          HG23      THR  20   4.348  -3.433   2.487

  No H/Q in entry =           7
  In of MODEL    6
    1    H    THR  21           H        THR  21   7.768  -2.349  -0.349
    2    HA   THR  21           HA       THR  21   6.325  -0.050  -1.186
    3    HB   THR  21           HB       THR  21   7.131  -1.501  -3.469
    4    HG1  THR  21           HG1      THR  21   8.633  -2.742  -2.704
    5   HG22  THR  21          HG21      THR  21   9.155   0.190  -3.140
    6   HG21  THR  21          HG22      THR  21   8.009   0.896  -1.998
    7   HG23  THR  21          HG23      THR  21   7.559   0.698  -3.693

  No H/Q in entry =           7
  In of MODEL    6
    1    H    CYS  22           H        CYS  22   4.355   0.148  -1.967
    2    HA   CYS  22           HA       CYS  22   2.895  -2.302  -2.683
    3    HB2  CYS  22           HB2      CYS  22   0.839  -0.984  -2.154
    4    HB3  CYS  22           HB3      CYS  22   1.902  -1.223  -0.772

  No H/Q in entry =           4
  In of MODEL    6
    1    H    TRP  23           H        TRP  23   4.622  -0.703  -4.460
    2    HA   TRP  23           HA       TRP  23   2.744  -0.461  -6.625
    3    HB2  TRP  23           HB2      TRP  23   3.437   1.869  -5.161
    4    HB3  TRP  23           HB3      TRP  23   4.247   1.974  -6.721
    5    HD1  TRP  23           HD1      TRP  23   0.945   0.181  -6.606
    6    HE1  TRP  23           HE1      TRP  23  -0.850   1.585  -7.805
    7    HE3  TRP  23           HE3      TRP  23   3.590   4.501  -7.226
    8    HZ2  TRP  23           HZ2      TRP  23  -1.103   4.179  -8.867
    9    HZ3  TRP  23           HZ3      TRP  23   2.498   6.404  -8.339
   10    HH2  TRP  23           HH2      TRP  23   0.198   6.244  -9.144

  No H/Q in entry =          10
  In of MODEL    6
    1    H    LYS  24           H        LYS  24   5.911   0.990  -6.091
    2    HA   LYS  24           HA       LYS  24   7.839   0.877  -7.322
    3    HB2  LYS  24           HB2      LYS  24   7.944  -1.214  -6.002
    4    HB3  LYS  24           HB3      LYS  24   7.143  -2.065  -7.316
    5    HG2  LYS  24           HG2      LYS  24   8.997  -2.013  -8.667
    6    HG3  LYS  24           HG3      LYS  24   9.663  -0.581  -7.879
    7    HD2  LYS  24           HD2      LYS  24  10.103  -1.964  -5.862
    8    HD3  LYS  24           HD3      LYS  24   9.560  -3.382  -6.761
    9    HE2  LYS  24           HE2      LYS  24  11.864  -1.596  -7.537
   10    HE3  LYS  24           HE3      LYS  24  12.012  -3.161  -6.740
   11    HZ1  LYS  24           HZ1      LYS  24  10.705  -2.783  -9.376
   12    HZ3  LYS  24           HZ2      LYS  24  11.118  -4.247  -8.636
   13    HZ2  LYS  24           HZ3      LYS  24  12.332  -3.209  -9.191

  No H/Q in entry =          13
  In of MODEL    6
    1    H    THR  25           H        THR  25   5.434   1.376  -8.809
    2    HA   THR  25           HA       THR  25   5.349  -0.134 -11.202
    3    HB   THR  25           HB       THR  25   4.446   2.699 -11.213
    4    HG1  THR  25           HG1      THR  25   3.141   0.724  -9.661
    5   HG22  THR  25          HG21      THR  25   2.306   1.496 -11.946
    6   HG21  THR  25          HG22      THR  25   3.342   0.080 -12.133
    7   HG23  THR  25          HG23      THR  25   3.671   1.542 -13.063

  No H/Q in entry =           7
  In of MODEL    6
    1    H    SER  26           H        SER  26   7.831  -0.024 -11.358
    2    HA   SER  26           HA       SER  26   9.544   0.478 -12.774
    3    HB2  SER  26           HB2      SER  26   8.152   2.873 -13.899
    4    HB3  SER  26           HB3      SER  26   9.198   1.703 -14.705
    5    HG   SER  26           HG       SER  26   7.518   0.505 -15.124

  No H/Q in entry =           5
  In of MODEL    6
    1    H    VAL  27           H        VAL  27   7.960   3.469 -11.723
    2    HA   VAL  27           HA       VAL  27  10.473   4.261 -10.435
    3    HB   VAL  27           HB       VAL  27  10.164   5.420 -12.639
    4   HG11  VAL  27          HG11      VAL  27   7.704   5.646 -12.494
    5   HG13  VAL  27          HG12      VAL  27   8.519   7.169 -12.851
    6   HG12  VAL  27          HG13      VAL  27   7.919   6.850 -11.223
    7   HG23  VAL  27          HG21      VAL  27  10.121   7.274 -10.263
    8   HG22  VAL  27          HG22      VAL  27  10.888   7.554 -11.827
    9   HG21  VAL  27          HG23      VAL  27  11.520   6.314 -10.744

  No H/Q in entry =           9
  In of MODEL    6
    1    H    SER  28           H        SER  28   7.001   4.840 -10.729
    2    HA   SER  28           HA       SER  28   6.770   6.318  -8.315
    3    HB2  SER  28           HB2      SER  28   4.454   4.783  -9.423
    4    HB3  SER  28           HB3      SER  28   4.504   6.421  -8.771
    5    HG   SER  28           HG       SER  28   4.612   7.024 -10.773

  No H/Q in entry =           5
  In of MODEL    6
    1    H    SER  29           H        SER  29   7.897   5.039  -6.781
    2    HA   SER  29           HA       SER  29   6.444   2.620  -5.934
    3    HB2  SER  29           HB2      SER  29   8.453   1.659  -5.185
    4    HB3  SER  29           HB3      SER  29   8.923   2.452  -6.688
    5    HG   SER  29           HG       SER  29  10.392   2.935  -5.029

  No H/Q in entry =           5
  In of MODEL    6
    1    H    HIS  30           H        HIS  30   5.470   2.670  -4.024
    2    HA   HIS  30           HA       HIS  30   6.369   4.614  -2.017
    3    HB2  HIS  30           HB2      HIS  30   3.438   4.171  -2.528
    4    HB3  HIS  30           HB3      HIS  30   4.219   5.496  -1.668
    5    HD1  HIS  30           HD1      HIS  30   4.015   7.585  -2.969
    6    HD2  HIS  30           HD2      HIS  30   4.518   4.283  -5.439
    7    HE1  HIS  30           HE1      HIS  30   4.052   8.497  -5.315
    8    HE2  HIS  30           HE2      HIS  30   4.254   6.470  -6.793

  No H/Q in entry =           8
  In of MODEL    6
    1    H    TYR  31           H        TYR  31   6.541   3.782  -0.040
    2    HA   TYR  31           HA       TYR  31   6.002   1.030   0.430
    3    HB2  TYR  31           HB2      TYR  31   7.024   3.305   2.088
    4    HB3  TYR  31           HB3      TYR  31   6.541   1.809   2.881
    5    HD1  TYR  31           HD1      TYR  31   8.624   1.010   3.640
    6    HD2  TYR  31           HD2      TYR  31   8.167   2.131  -0.439
    7    HE1  TYR  31           HE1      TYR  31  10.820   0.028   3.129
    8    HE2  TYR  31           HE2      TYR  31  10.360   1.151  -0.961
    9    HH   TYR  31           HH       TYR  31  12.544   0.669   0.450

  No H/Q in entry =           9
  In of MODEL    6
    1    H    CYS  32           H        CYS  32   4.655   0.186   2.178
    2    HA   CYS  32           HA       CYS  32   2.030   1.363   2.095
    3    HB2  CYS  32           HB2      CYS  32   3.189  -1.229   2.753
    4    HB3  CYS  32           HB3      CYS  32   1.936  -0.754   3.895

  No H/Q in entry =           4
  In of MODEL    6
    1    H    THR  33           H        THR  33   0.894   2.239   3.777
    2    HA   THR  33           HA       THR  33   2.489   3.001   6.120
    3    HB   THR  33           HB       THR  33   0.678   4.737   6.434
    4    HG1  THR  33           HG1      THR  33  -0.927   4.823   5.084
    5   HG23  THR  33          HG21      THR  33   2.101   6.088   5.430
    6   HG22  THR  33          HG22      THR  33   1.424   5.625   3.869
    7   HG21  THR  33          HG23      THR  33   2.792   4.734   4.536

  No H/Q in entry =           7
  In of MODEL    6
    1    H    GLY  34           H        GLY  34   0.804   0.482   5.473
    2    HA3  GLY  34           HA2      GLY  34  -0.724  -0.887   6.538
    3    HA2  GLY  34           HA3      GLY  34   0.130  -0.344   7.973

  No H/Q in entry =           3
  In of MODEL    6
    1    H    ARG  35           H        ARG  35  -1.876   1.672   5.881
    2    HA   ARG  35           HA       ARG  35  -3.850   1.850   8.055
    3    HB2  ARG  35           HB2      ARG  35  -2.252   3.968   6.810
    4    HB3  ARG  35           HB3      ARG  35  -3.973   4.323   6.872
    5    HG2  ARG  35           HG2      ARG  35  -3.080   5.226   8.838
    6    HG3  ARG  35           HG3      ARG  35  -3.858   3.722   9.334
    7    HD2  ARG  35           HD2      ARG  35  -1.635   2.605   9.187
    8    HD3  ARG  35           HD3      ARG  35  -0.915   4.184   8.876
    9    HE   ARG  35           HE       ARG  35  -1.724   3.141  11.399
   10   HH11  ARG  35          HH11      ARG  35  -1.433   6.097   9.568
   11   HH12  ARG  35          HH12      ARG  35  -1.269   7.098  10.971
   12   HH21  ARG  35          HH21      ARG  35  -1.509   4.455  13.247
   13   HH22  ARG  35          HH22      ARG  35  -1.312   6.166  13.060

  No H/Q in entry =          13
  In of MODEL    6
    1    H    SER  36           H        SER  36  -3.289   2.563   4.624
    2    HA   SER  36           HA       SER  36  -5.968   1.539   4.039
    3    HB2  SER  36           HB2      SER  36  -5.649   4.210   4.188
    4    HB3  SER  36           HB3      SER  36  -5.174   3.954   2.509
    5    HG   SER  36           HG       SER  36  -7.648   3.563   3.747

  No H/Q in entry =           5
  In of MODEL    6
    1    H    CYS  37           H        CYS  37  -6.287   1.234   1.643
    2    HA   CYS  37           HA       CYS  37  -4.016  -0.174   0.600
    3    HB2  CYS  37           HB2      CYS  37  -6.505   0.361  -0.987
    4    HB3  CYS  37           HB3      CYS  37  -5.453  -1.048  -1.018

  No H/Q in entry =           4
  In of MODEL    6
    1    H    GLU  38           H        GLU  38  -5.437   2.954   0.122
    2    HA   GLU  38           HA       GLU  38  -4.250   3.466  -2.425
    3    HB2  GLU  38           HB2      GLU  38  -5.736   5.042  -0.393
    4    HB3  GLU  38           HB3      GLU  38  -4.714   5.941  -1.506
    5    HG2  GLU  38           HG2      GLU  38  -5.997   5.430  -3.321
    6    HG3  GLU  38           HG3      GLU  38  -6.573   3.915  -2.627

  No H/Q in entry =           6
  In of MODEL    6
    1    H    CYS  39           H        CYS  39  -2.075   3.292  -2.532
    2    HA   CYS  39           HA       CYS  39  -0.265   3.946  -0.492
    3    HB2  CYS  39           HB2      CYS  39   0.277   3.963  -3.469
    4    HB3  CYS  39           HB3      CYS  39   1.470   3.792  -2.186

  No H/Q in entry =           4
  In of MODEL    6
    1    HA   PRO  40           HA       PRO  40  -0.063   8.353  -0.527
    2    HB2  PRO  40           HB2      PRO  40   2.623   8.710  -0.044
    3    HB3  PRO  40           HB3      PRO  40   1.430   8.335   1.202
    4    HG2  PRO  40           HG2      PRO  40   3.327   6.513  -0.217
    5    HG3  PRO  40           HG3      PRO  40   2.857   6.532   1.492
    6    HD2  PRO  40           HD2      PRO  40   1.836   4.746  -0.240
    7    HD3  PRO  40           HD3      PRO  40   0.869   5.419   1.089

  No H/Q in entry =           7
  In of MODEL    6
    1    H    SER  41           H        SER  41   1.108  10.189  -1.593
    2    HA   SER  41           HA       SER  41   1.702   9.450  -4.353
    3    HB2  SER  41           HB2      SER  41   1.653  12.311  -3.635
    4    HB3  SER  41           HB3      SER  41   0.860  11.464  -4.962
    5    HG   SER  41           HG       SER  41  -0.017  11.894  -2.338

  No H/Q in entry =           5
  In of MODEL    6
    1    H    TYR  42           H        TYR  42   3.605   9.250  -1.965
    2    HA   TYR  42           HA       TYR  42   5.878  10.424  -3.363
    3    HB2  TYR  42           HB2      TYR  42   6.783  11.498  -1.431
    4    HB3  TYR  42           HB3      TYR  42   5.114  12.036  -1.577
    5    HD1  TYR  42           HD1      TYR  42   7.326   9.686   0.251
    6    HD2  TYR  42           HD2      TYR  42   3.587  11.715   0.189
    7    HE1  TYR  42           HE1      TYR  42   6.906   8.969   2.564
    8    HE2  TYR  42           HE2      TYR  42   3.156  11.005   2.503
    9    HH   TYR  42           HH       TYR  42   5.402   9.961   4.555

  No H/Q in entry =           9
  In of MODEL    6
    1    HA   PRO  43           HA       PRO  43   7.557   6.455  -2.321
    2    HB2  PRO  43           HB2      PRO  43  10.141   6.874  -2.945
    3    HB3  PRO  43           HB3      PRO  43   8.884   6.768  -4.184
    4    HG2  PRO  43           HG2      PRO  43  10.160   9.200  -2.985
    5    HG3  PRO  43           HG3      PRO  43   9.795   8.854  -4.686
    6    HD2  PRO  43           HD2      PRO  43   8.216  10.421  -3.118
    7    HD3  PRO  43           HD3      PRO  43   7.584   9.448  -4.462

  No H/Q in entry =           7
  In of MODEL    6
    1    H    GLY  44           H        GLY  44   8.451   5.452  -0.578
    2    HA3  GLY  44           HA2      GLY  44   9.344   7.180   1.605
    3    HA2  GLY  44           HA3      GLY  44   8.866   5.495   1.744

  No H/Q in entry =           3
  In of MODEL    6
    1    H    ASN  45           H        ASN  45  11.324   7.305  -0.102
    2    HA   ASN  45           HA       ASN  45  13.262   5.212   0.572
    3    HB2  ASN  45           HB2      ASN  45  13.005   7.190  -1.644
    4    HB3  ASN  45           HB3      ASN  45  14.627   6.687  -1.177
    5   HD21  ASN  45          HD21      ASN  45  13.909   6.112  -3.650
    6   HD22  ASN  45          HD22      ASN  45  13.556   4.432  -3.839

  No H/Q in entry =           6
  In of MODEL    6
    1    H    GLY  46           H        GLY  46  12.634   8.643   0.924
    2    HA3  GLY  46           HA2      GLY  46  13.434   9.844   2.829
    3    HA2  GLY  46           HA3      GLY  46  14.818   8.764   2.887

  No H/Q in entry =           3
  In of MODEL    7
    1    H1   ALA   1           H3       ALA   1 -20.549  -6.357   0.455
    2    H2   ALA   1           H2       ALA   1 -22.040  -6.529   1.288
    3    H3   ALA   1           H1       ALA   1 -21.791  -5.196   0.235
    4    HA   ALA   1           HA       ALA   1 -20.241  -4.235   1.631
    5    HB2  ALA   1           HB1      ALA   1 -22.676  -4.048   2.223
    6    HB1  ALA   1           HB2      ALA   1 -21.553  -3.753   3.550
    7    HB3  ALA   1           HB3      ALA   1 -22.401  -5.296   3.439

  No H/Q in entry =           7
  In of MODEL    7
    1    H    MET   2           H        MET   2 -18.390  -5.686   1.587
    2    HA   MET   2           HA       MET   2 -18.195  -7.492   3.890
    3    HB2  MET   2           HB2      MET   2 -16.511  -7.197   1.402
    4    HB3  MET   2           HB3      MET   2 -16.060  -8.231   2.751
    5    HG2  MET   2           HG2      MET   2 -17.898  -9.657   2.406
    6    HG3  MET   2           HG3      MET   2 -18.682  -8.510   1.322
    7    HE1  MET   2           HE1      MET   2 -17.969 -11.687   1.078
    8    HE3  MET   2           HE2      MET   2 -17.438 -11.895  -0.591
    9    HE2  MET   2           HE3      MET   2 -18.905 -10.981  -0.240

  No H/Q in entry =           9
  In of MODEL    7
    1    H    ASP   3           H        ASP   3 -16.532  -7.323   5.399
    2    HA   ASP   3           HA       ASP   3 -15.528  -4.629   5.770
    3    HB2  ASP   3           HB2      ASP   3 -15.452  -7.110   7.488
    4    HB3  ASP   3           HB3      ASP   3 -14.654  -5.608   7.945

  No H/Q in entry =           4
  In of MODEL    7
    1    H    CYS   4           H        CYS   4 -14.072  -4.660   3.936
    2    HA   CYS   4           HA       CYS   4 -11.426  -5.505   4.713
    3    HB2  CYS   4           HB2      CYS   4 -12.893  -6.788   2.432
    4    HB3  CYS   4           HB3      CYS   4 -11.145  -6.594   2.358

  No H/Q in entry =           4
  In of MODEL    7
    1    H    THR   5           H        THR   5  -9.797  -4.836   2.996
    2    HA   THR   5           HA       THR   5 -10.689  -2.310   1.768
    3    HB   THR   5           HB       THR   5  -7.805  -2.619   2.187
    4    HG1  THR   5           HG1      THR   5  -7.789  -2.832   4.288
    5   HG21  THR   5          HG21      THR   5  -9.757  -0.507   3.070
    6   HG23  THR   5          HG22      THR   5  -8.794  -0.482   1.593
    7   HG22  THR   5          HG23      THR   5  -7.999  -0.401   3.166

  No H/Q in entry =           7
  In of MODEL    7
    1    H    THR   6           H        THR   6  -9.834  -1.738  -0.277
    2    HA   THR   6           HA       THR   6  -8.407  -3.840  -1.735
    3    HB   THR   6           HB       THR   6  -9.954  -3.542  -3.672
    4    HG1  THR   6           HG1      THR   6 -11.389  -2.022  -1.768
    5   HG21  THR   6          HG21      THR   6 -11.263  -4.501  -1.140
    6   HG23  THR   6          HG22      THR   6 -10.311  -5.466  -2.269
    7   HG22  THR   6          HG23      THR   6 -11.862  -4.794  -2.773

  No H/Q in entry =           7
  In of MODEL    7
    1    H    GLY   7           H        GLY   7  -6.781  -3.042  -2.906
    2    HA3  GLY   7           HA2      GLY   7  -6.809  -0.810  -4.535
    3    HA2  GLY   7           HA3      GLY   7  -6.267  -0.239  -2.966

  No H/Q in entry =           3
  In of MODEL    7
    1    HA   PRO   8           HA       PRO   8  -2.456  -1.677  -5.019
    2    HB2  PRO   8           HB2      PRO   8  -0.899   0.393  -4.387
    3    HB3  PRO   8           HB3      PRO   8  -2.122   0.529  -5.656
    4    HG2  PRO   8           HG2      PRO   8  -2.211   1.492  -2.827
    5    HG3  PRO   8           HG3      PRO   8  -2.780   2.293  -4.302
    6    HD2  PRO   8           HD2      PRO   8  -4.390   0.895  -2.530
    7    HD3  PRO   8           HD3      PRO   8  -4.800   1.240  -4.221

  No H/Q in entry =           7
  In of MODEL    7
    1    H    CYS   9           H        CYS   9  -2.570  -0.172  -1.779
    2    HA   CYS   9           HA       CYS   9  -0.256  -1.599  -0.870
    3    HB2  CYS   9           HB2      CYS   9  -0.835   0.613   0.033
    4    HB3  CYS   9           HB3      CYS   9  -2.318  -0.052   0.709

  No H/Q in entry =           4
  In of MODEL    7
    1    H    CYS  10           H        CYS  10  -3.650  -1.699   0.233
    2    HA   CYS  10           HA       CYS  10  -3.363  -3.988   1.805
    3    HB2  CYS  10           HB2      CYS  10  -5.785  -4.118   1.812
    4    HB3  CYS  10           HB3      CYS  10  -5.283  -2.438   1.947

  No H/Q in entry =           4
  In of MODEL    7
    1    H    ARG  11           H        ARG  11  -2.889  -5.980   1.259
    2    HA   ARG  11           HA       ARG  11  -2.605  -6.954  -1.306
    3    HB2  ARG  11           HB2      ARG  11  -2.108  -7.913   1.214
    4    HB3  ARG  11           HB3      ARG  11  -3.366  -9.004   0.652
    5    HG2  ARG  11           HG2      ARG  11  -2.043  -9.938  -0.937
    6    HG3  ARG  11           HG3      ARG  11  -1.121  -8.456  -1.200
    7    HD2  ARG  11           HD2      ARG  11   0.046  -8.798   0.915
    8    HD3  ARG  11           HD3      ARG  11  -0.892 -10.262   1.206
    9    HE   ARG  11           HE       ARG  11   0.296 -10.696  -1.207
   10   HH11  ARG  11          HH11      ARG  11   1.460  -9.855   1.974
   11   HH12  ARG  11          HH12      ARG  11   2.983 -10.651   1.764
   12   HH21  ARG  11          HH21      ARG  11   2.300 -11.744  -1.485
   13   HH22  ARG  11          HH22      ARG  11   3.461 -11.723  -0.200

  No H/Q in entry =          13
  In of MODEL    7
    1    H    GLN  12           H        GLN  12  -5.144  -8.166   0.889
    2    HA   GLN  12           HA       GLN  12  -7.062  -8.014  -1.312
    3    HB2  GLN  12           HB2      GLN  12  -6.274 -10.525   0.144
    4    HB3  GLN  12           HB3      GLN  12  -7.809 -10.375  -0.701
    5    HG2  GLN  12           HG2      GLN  12  -6.793 -10.247  -2.786
    6    HG3  GLN  12           HG3      GLN  12  -5.229  -9.807  -2.102
    7   HE21  GLN  12          HE21      GLN  12  -6.477 -12.102  -3.806
    8   HE22  GLN  12          HE22      GLN  12  -5.742 -13.511  -3.128

  No H/Q in entry =           8
  In of MODEL    7
    1    H    CYS  13           H        CYS  13  -6.479  -7.114   1.719
    2    HA   CYS  13           HA       CYS  13  -9.177  -6.598   2.320
    3    HB2  CYS  13           HB2      CYS  13  -9.272  -8.991   2.806
    4    HB3  CYS  13           HB3      CYS  13  -7.930  -8.828   3.934

  No H/Q in entry =           4
  In of MODEL    7
    1    H    LYS  14           H        LYS  14  -5.890  -6.969   3.587
    2    HA   LYS  14           HA       LYS  14  -6.414  -4.619   5.288
    3    HB2  LYS  14           HB2      LYS  14  -5.873  -7.050   6.289
    4    HB3  LYS  14           HB3      LYS  14  -4.229  -6.476   6.048
    5    HG2  LYS  14           HG2      LYS  14  -5.214  -4.336   7.279
    6    HG3  LYS  14           HG3      LYS  14  -6.306  -5.553   7.942
    7    HD2  LYS  14           HD2      LYS  14  -3.296  -5.746   7.991
    8    HD3  LYS  14           HD3      LYS  14  -4.283  -5.163   9.333
    9    HE2  LYS  14           HE2      LYS  14  -4.169  -7.328   9.974
   10    HE3  LYS  14           HE3      LYS  14  -5.519  -7.493   8.851
   11    HZ3  LYS  14           HZ1      LYS  14  -4.170  -8.427   7.240
   12    HZ2  LYS  14           HZ2      LYS  14  -3.552  -9.106   8.660
   13    HZ1  LYS  14           HZ3      LYS  14  -2.741  -7.822   7.915

  No H/Q in entry =          13
  In of MODEL    7
    1    H    LEU  15           H        LEU  15  -4.967  -2.977   5.241
    2    HA   LEU  15           HA       LEU  15  -3.397  -2.534   3.023
    3    HB2  LEU  15           HB2      LEU  15  -2.128  -0.895   4.628
    4    HB3  LEU  15           HB3      LEU  15  -3.773  -0.581   4.126
    5    HG   LEU  15           HG       LEU  15  -3.127  -0.208   6.589
    6   HD12  LEU  15          HD11      LEU  15  -5.493  -1.836   6.785
    7   HD11  LEU  15          HD12      LEU  15  -5.515  -0.852   5.322
    8   HD13  LEU  15          HD13      LEU  15  -5.312  -0.085   6.897
    9   HD21  LEU  15          HD21      LEU  15  -1.996  -2.327   6.966
   10   HD23  LEU  15          HD22      LEU  15  -3.489  -3.201   6.633
   11   HD22  LEU  15          HD23      LEU  15  -3.380  -2.151   8.043

  No H/Q in entry =          11
  In of MODEL    7
    1    H    LYS  16           H        LYS  16  -1.442  -3.176   2.351
    2    HA   LYS  16           HA       LYS  16  -0.074  -5.285   3.425
    3    HB2  LYS  16           HB2      LYS  16   0.561  -3.161   1.487
    4    HB3  LYS  16           HB3      LYS  16   1.968  -3.910   2.230
    5    HG2  LYS  16           HG2      LYS  16   1.430  -6.026   1.386
    6    HG3  LYS  16           HG3      LYS  16  -0.225  -5.546   1.004
    7    HD2  LYS  16           HD2      LYS  16   1.147  -3.770  -0.492
    8    HD3  LYS  16           HD3      LYS  16   2.273  -5.129  -0.510
    9    HE2  LYS  16           HE2      LYS  16   0.793  -6.514  -1.609
   10    HE3  LYS  16           HE3      LYS  16  -0.620  -5.617  -1.055
   11    HZ1  LYS  16           HZ1      LYS  16   0.041  -3.798  -2.543
   12    HZ3  LYS  16           HZ2      LYS  16  -0.269  -5.231  -3.387
   13    HZ2  LYS  16           HZ3      LYS  16   1.326  -4.737  -3.119

  No H/Q in entry =          13
  In of MODEL    7
    1    HA   PRO  17           HA       PRO  17   2.119  -4.153   7.066
    2    HB2  PRO  17           HB2      PRO  17   4.699  -4.991   6.353
    3    HB3  PRO  17           HB3      PRO  17   3.463  -5.976   7.138
    4    HG2  PRO  17           HG2      PRO  17   4.227  -5.827   4.262
    5    HG3  PRO  17           HG3      PRO  17   3.693  -7.224   5.215
    6    HD2  PRO  17           HD2      PRO  17   2.052  -6.016   3.479
    7    HD3  PRO  17           HD3      PRO  17   1.449  -6.650   5.026

  No H/Q in entry =           7
  In of MODEL    7
    1    H    ALA  18           H        ALA  18   2.869  -2.244   7.741
    2    HA   ALA  18           HA       ALA  18   3.504  -0.113   6.144
    3    HB2  ALA  18           HB1      ALA  18   4.398   0.976   8.104
    4    HB1  ALA  18           HB2      ALA  18   4.606  -0.578   8.912
    5    HB3  ALA  18           HB3      ALA  18   2.986   0.021   8.557

  No H/Q in entry =           5
  In of MODEL    7
    1    H    GLY  19           H        GLY  19   5.573   1.062   5.888
    2    HA3  GLY  19           HA2      GLY  19   7.720   1.157   5.077
    3    HA2  GLY  19           HA3      GLY  19   8.090  -0.110   6.238

  No H/Q in entry =           3
  In of MODEL    7
    1    H    THR  20           H        THR  20   5.690  -0.615   3.781
    2    HA   THR  20           HA       THR  20   7.583  -2.287   2.268
    3    HB   THR  20           HB       THR  20   4.691  -2.973   2.822
    4    HG1  THR  20           HG1      THR  20   5.355  -4.184   4.446
    5   HG22  THR  20          HG21      THR  20   6.651  -5.028   2.035
    6   HG21  THR  20          HG22      THR  20   6.118  -3.911   0.778
    7   HG23  THR  20          HG23      THR  20   4.934  -4.881   1.656

  No H/Q in entry =           7
  In of MODEL    7
    1    H    THR  21           H        THR  21   7.415  -2.212   0.064
    2    HA   THR  21           HA       THR  21   6.265   0.041  -1.124
    3    HB   THR  21           HB       THR  21   6.543  -1.986  -3.106
    4    HG1  THR  21           HG1      THR  21   8.764  -1.897  -1.354
    5   HG21  THR  21          HG21      THR  21   7.850   0.525  -2.351
    6   HG23  THR  21          HG22      THR  21   7.312  -0.055  -3.928
    7   HG22  THR  21          HG23      THR  21   8.850  -0.607  -3.262

  No H/Q in entry =           7
  In of MODEL    7
    1    H    CYS  22           H        CYS  22   4.215   0.499  -1.475
    2    HA   CYS  22           HA       CYS  22   2.323  -1.720  -1.854
    3    HB2  CYS  22           HB2      CYS  22   0.607   0.129  -1.237
    4    HB3  CYS  22           HB3      CYS  22   1.568  -0.602   0.043

  No H/Q in entry =           4
  In of MODEL    7
    1    H    TRP  23           H        TRP  23   3.750  -0.989  -4.080
    2    HA   TRP  23           HA       TRP  23   1.708  -0.410  -5.911
    3    HB2  TRP  23           HB2      TRP  23   2.418   1.893  -4.726
    4    HB3  TRP  23           HB3      TRP  23   3.602   1.863  -6.028
    5    HD1  TRP  23           HD1      TRP  23   0.913   0.219  -7.631
    6    HE1  TRP  23           HE1      TRP  23  -0.626   1.833  -8.916
    7    HE3  TRP  23           HE3      TRP  23   2.383   4.604  -5.485
    8    HZ2  TRP  23           HZ2      TRP  23  -1.148   4.602  -8.999
    9    HZ3  TRP  23           HZ3      TRP  23   1.320   6.699  -6.222
   10    HH2  TRP  23           HH2      TRP  23  -0.408   6.695  -7.947

  No H/Q in entry =          10
  In of MODEL    7
    1    H    LYS  24           H        LYS  24   5.071   0.711  -5.934
    2    HA   LYS  24           HA       LYS  24   6.829   0.211  -7.295
    3    HB2  LYS  24           HB2      LYS  24   6.587  -1.993  -6.175
    4    HB3  LYS  24           HB3      LYS  24   5.510  -2.505  -7.467
    5    HG2  LYS  24           HG2      LYS  24   7.643  -1.726  -8.913
    6    HG3  LYS  24           HG3      LYS  24   8.441  -2.253  -7.429
    7    HD2  LYS  24           HD2      LYS  24   6.842  -4.330  -7.710
    8    HD3  LYS  24           HD3      LYS  24   6.855  -3.825  -9.401
    9    HE2  LYS  24           HE2      LYS  24   8.603  -5.389  -9.198
   10    HE3  LYS  24           HE3      LYS  24   9.385  -3.809  -9.228
   11    HZ1  LYS  24           HZ1      LYS  24   9.144  -4.050  -6.647
   12    HZ3  LYS  24           HZ2      LYS  24  10.438  -4.769  -7.467
   13    HZ2  LYS  24           HZ3      LYS  24   9.104  -5.703  -7.010

  No H/Q in entry =          13
  In of MODEL    7
    1    H    THR  25           H        THR  25   4.947   1.632  -8.537
    2    HA   THR  25           HA       THR  25   3.889   0.463 -10.892
    3    HB   THR  25           HB       THR  25   4.343   3.352 -10.126
    4    HG1  THR  25           HG1      THR  25   2.448   3.220  -9.221
    5   HG22  THR  25          HG21      THR  25   2.194   2.971 -11.974
    6   HG21  THR  25          HG22      THR  25   3.707   2.400 -12.677
    7   HG23  THR  25          HG23      THR  25   3.582   4.053 -12.075

  No H/Q in entry =           7
  In of MODEL    7
    1    H    SER  26           H        SER  26   6.158  -0.540 -11.296
    2    HA   SER  26           HA       SER  26   7.792  -0.814 -12.847
    3    HB2  SER  26           HB2      SER  26   6.119   0.473 -14.319
    4    HB3  SER  26           HB3      SER  26   7.139   1.880 -14.019
    5    HG   SER  26           HG       SER  26   7.508  -0.084 -15.775

  No H/Q in entry =           5
  In of MODEL    7
    1    H    VAL  27           H        VAL  27   7.627   2.610 -11.955
    2    HA   VAL  27           HA       VAL  27  10.393   2.422 -11.001
    3    HB   VAL  27           HB       VAL  27  10.282   3.434 -13.293
    4   HG13  VAL  27          HG11      VAL  27   8.192   4.646 -13.087
    5   HG12  VAL  27          HG12      VAL  27   9.502   5.758 -13.480
    6   HG11  VAL  27          HG13      VAL  27   8.885   5.671 -11.830
    7   HG21  VAL  27          HG21      VAL  27  12.117   3.843 -11.655
    8   HG23  VAL  27          HG22      VAL  27  11.283   5.317 -11.161
    9   HG22  VAL  27          HG23      VAL  27  11.883   5.154 -12.812

  No H/Q in entry =           9
  In of MODEL    7
    1    H    SER  28           H        SER  28   7.330   4.152 -10.951
    2    HA   SER  28           HA       SER  28   7.731   6.124  -9.124
    3    HB2  SER  28           HB2      SER  28   5.522   4.940 -10.267
    4    HB3  SER  28           HB3      SER  28   5.283   4.621  -8.550
    5    HG   SER  28           HG       SER  28   4.762   6.838  -9.803

  No H/Q in entry =           5
  In of MODEL    7
    1    H    SER  29           H        SER  29   6.431   2.979  -8.138
    2    HA   SER  29           HA       SER  29   6.521   1.832  -6.181
    3    HB2  SER  29           HB2      SER  29   8.920   1.913  -5.110
    4    HB3  SER  29           HB3      SER  29   8.671   1.128  -6.668
    5    HG   SER  29           HG       SER  29  10.391   2.468  -6.936

  No H/Q in entry =           5
  In of MODEL    7
    1    H    HIS  30           H        HIS  30   5.353   2.467  -4.525
    2    HA   HIS  30           HA       HIS  30   6.356   4.677  -2.861
    3    HB2  HIS  30           HB2      HIS  30   3.448   4.126  -3.483
    4    HB3  HIS  30           HB3      HIS  30   4.079   5.450  -2.507
    5    HD1  HIS  30           HD1      HIS  30   3.816   7.538  -3.803
    6    HD2  HIS  30           HD2      HIS  30   4.985   4.365  -6.216
    7    HE1  HIS  30           HE1      HIS  30   4.106   8.511  -6.105
    8    HE2  HIS  30           HE2      HIS  30   4.656   6.544  -7.567

  No H/Q in entry =           8
  In of MODEL    7
    1    H    TYR  31           H        TYR  31   6.664   4.124  -0.808
    2    HA   TYR  31           HA       TYR  31   5.929   1.513   0.124
    3    HB2  TYR  31           HB2      TYR  31   7.540   3.787   1.159
    4    HB3  TYR  31           HB3      TYR  31   6.893   2.655   2.342
    5    HD1  TYR  31           HD1      TYR  31   8.348   2.217  -1.076
    6    HD2  TYR  31           HD2      TYR  31   8.559   1.230   3.057
    7    HE1  TYR  31           HE1      TYR  31  10.206   0.677  -1.545
    8    HE2  TYR  31           HE2      TYR  31  10.419  -0.312   2.599
    9    HH   TYR  31           HH       TYR  31  11.202  -1.670   0.461

  No H/Q in entry =           9
  In of MODEL    7
    1    H    CYS  32           H        CYS  32   4.649   1.023   1.958
    2    HA   CYS  32           HA       CYS  32   2.403   2.863   2.300
    3    HB2  CYS  32           HB2      CYS  32   2.423   0.185   1.865
    4    HB3  CYS  32           HB3      CYS  32   2.326   0.223   3.622

  No H/Q in entry =           4
  In of MODEL    7
    1    H    THR  33           H        THR  33   1.384   2.658   4.592
    2    HA   THR  33           HA       THR  33   3.512   2.925   6.608
    3    HB   THR  33           HB       THR  33   2.579   4.888   7.485
    4    HG1  THR  33           HG1      THR  33   0.512   5.119   7.552
    5   HG22  THR  33          HG21      THR  33   2.276   6.465   5.664
    6   HG21  THR  33          HG22      THR  33   2.103   5.131   4.524
    7   HG23  THR  33          HG23      THR  33   3.638   5.390   5.352

  No H/Q in entry =           7
  In of MODEL    7
    1    H    GLY  34           H        GLY  34   1.426   0.818   5.809
    2    HA3  GLY  34           HA2      GLY  34  -0.042  -0.622   6.843
    3    HA2  GLY  34           HA3      GLY  34   0.984  -0.359   8.245

  No H/Q in entry =           3
  In of MODEL    7
    1    H    ARG  35           H        ARG  35  -1.042   2.056   6.657
    2    HA   ARG  35           HA       ARG  35  -2.689   2.155   9.096
    3    HB2  ARG  35           HB2      ARG  35  -1.123   4.093   8.790
    4    HB3  ARG  35           HB3      ARG  35  -2.005   4.500   7.324
    5    HG2  ARG  35           HG2      ARG  35  -3.777   5.329   8.453
    6    HG3  ARG  35           HG3      ARG  35  -3.614   4.174   9.777
    7    HD2  ARG  35           HD2      ARG  35  -1.484   5.483  10.378
    8    HD3  ARG  35           HD3      ARG  35  -2.127   6.739   9.321
    9    HE   ARG  35           HE       ARG  35  -4.192   6.195  10.992
   10   HH11  ARG  35          HH11      ARG  35  -0.845   7.045  11.498
   11   HH12  ARG  35          HH12      ARG  35  -1.148   7.853  12.999
   12   HH21  ARG  35          HH21      ARG  35  -4.592   7.258  12.967
   13   HH22  ARG  35          HH22      ARG  35  -3.274   7.974  13.833

  No H/Q in entry =          13
  In of MODEL    7
    1    H    SER  36           H        SER  36  -2.631   2.637   5.599
    2    HA   SER  36           HA       SER  36  -5.432   1.847   5.483
    3    HB2  SER  36           HB2      SER  36  -4.525   4.379   4.106
    4    HB3  SER  36           HB3      SER  36  -6.166   3.746   4.219
    5    HG   SER  36           HG       SER  36  -5.788   5.427   5.724

  No H/Q in entry =           5
  In of MODEL    7
    1    H    CYS  37           H        CYS  37  -6.147   1.325   3.296
    2    HA   CYS  37           HA       CYS  37  -4.173  -0.135   1.873
    3    HB2  CYS  37           HB2      CYS  37  -6.461  -0.920   1.911
    4    HB3  CYS  37           HB3      CYS  37  -7.029   0.570   1.168

  No H/Q in entry =           4
  In of MODEL    7
    1    H    GLU  38           H        GLU  38  -5.377   3.088   1.656
    2    HA   GLU  38           HA       GLU  38  -4.670   3.585  -1.058
    3    HB2  GLU  38           HB2      GLU  38  -4.995   5.549   1.218
    4    HB3  GLU  38           HB3      GLU  38  -4.970   5.948  -0.494
    5    HG2  GLU  38           HG2      GLU  38  -7.207   5.919  -0.174
    6    HG3  GLU  38           HG3      GLU  38  -6.968   4.212  -0.545

  No H/Q in entry =           6
  In of MODEL    7
    1    H    CYS  39           H        CYS  39  -2.571   2.901  -1.415
    2    HA   CYS  39           HA       CYS  39  -0.339   3.331   0.151
    3    HB2  CYS  39           HB2      CYS  39  -0.446   1.900  -1.895
    4    HB3  CYS  39           HB3      CYS  39  -0.394   3.363  -2.874

  No H/Q in entry =           4
  In of MODEL    7
    1    HA   PRO  40           HA       PRO  40   0.249   7.730   0.310
    2    HB2  PRO  40           HB2      PRO  40   3.129   6.952   0.270
    3    HB3  PRO  40           HB3      PRO  40   2.270   8.028   1.378
    4    HG2  PRO  40           HG2      PRO  40   2.944   5.571   2.137
    5    HG3  PRO  40           HG3      PRO  40   1.383   6.269   2.608
    6    HD2  PRO  40           HD2      PRO  40   1.994   4.213   0.534
    7    HD3  PRO  40           HD3      PRO  40   0.580   4.361   1.598

  No H/Q in entry =           7
  In of MODEL    7
    1    H    SER  41           H        SER  41   1.247   9.455  -0.917
    2    HA   SER  41           HA       SER  41   1.659   8.684  -3.711
    3    HB2  SER  41           HB2      SER  41   0.833  11.243  -2.362
    4    HB3  SER  41           HB3      SER  41   1.416  11.247  -4.027
    5    HG   SER  41           HG       SER  41  -1.006  10.599  -3.113

  No H/Q in entry =           5
  In of MODEL    7
    1    H    TYR  42           H        TYR  42   3.734   8.450  -1.604
    2    HA   TYR  42           HA       TYR  42   5.801  10.001  -2.986
    3    HB2  TYR  42           HB2      TYR  42   6.874  10.626  -0.912
    4    HB3  TYR  42           HB3      TYR  42   5.201  11.173  -0.870
    5    HD1  TYR  42           HD1      TYR  42   3.718  10.429   0.818
    6    HD2  TYR  42           HD2      TYR  42   7.518   8.568   0.374
    7    HE1  TYR  42           HE1      TYR  42   3.385   9.253   2.952
    8    HE2  TYR  42           HE2      TYR  42   7.196   7.387   2.506
    9    HH   TYR  42           HH       TYR  42   5.262   6.653   3.932

  No H/Q in entry =           9
  In of MODEL    7
    1    HA   PRO  43           HA       PRO  43   7.884   6.102  -3.018
    2    HB2  PRO  43           HB2      PRO  43  10.424   6.906  -3.454
    3    HB3  PRO  43           HB3      PRO  43   9.174   7.010  -4.700
    4    HG2  PRO  43           HG2      PRO  43  10.224   9.151  -2.887
    5    HG3  PRO  43           HG3      PRO  43   9.870   9.231  -4.624
    6    HD2  PRO  43           HD2      PRO  43   8.174  10.181  -2.725
    7    HD3  PRO  43           HD3      PRO  43   7.614   9.525  -4.277

  No H/Q in entry =           7
  In of MODEL    7
    1    H    GLY  44           H        GLY  44   9.095   4.742  -1.714
    2    HA3  GLY  44           HA2      GLY  44   9.288   5.358   1.010
    3    HA2  GLY  44           HA3      GLY  44  10.057   3.986   0.228

  No H/Q in entry =           3
  In of MODEL    7
    1    H    ASN  45           H        ASN  45  10.836   6.174   2.289
    2    HA   ASN  45           HA       ASN  45  12.747   7.222   2.938
    3    HB2  ASN  45           HB2      ASN  45  13.758   5.029   2.409
    4    HB3  ASN  45           HB3      ASN  45  14.024   5.563   0.752
    5   HD21  ASN  45          HD21      ASN  45  14.713   6.515   4.094
    6   HD22  ASN  45          HD22      ASN  45  16.299   7.122   3.775

  No H/Q in entry =           6
  In of MODEL    7
    1    H    GLY  46           H        GLY  46  12.222   9.309   2.358
    2    HA3  GLY  46           HA2      GLY  46  12.907  11.307   1.357
    3    HA2  GLY  46           HA3      GLY  46  13.725  10.376   0.112

  No H/Q in entry =           3
  In of MODEL    8
    1    H1   ALA   1           H2       ALA   1 -16.387  -2.989  11.941
    2    H2   ALA   1           H1       ALA   1 -16.964  -4.537  11.476
    3    H3   ALA   1           H3       ALA   1 -15.930  -4.382  12.834
    4    HA   ALA   1           HA       ALA   1 -14.120  -3.818  11.539
    5    HB3  ALA   1           HB1      ALA   1 -14.380  -6.151  11.586
    6    HB2  ALA   1           HB2      ALA   1 -14.076  -5.759   9.894
    7    HB1  ALA   1           HB3      ALA   1 -15.717  -6.110  10.436

  No H/Q in entry =           7
  In of MODEL    8
    1    H    MET   2           H        MET   2 -13.184  -3.497   9.378
    2    HA   MET   2           HA       MET   2 -14.991  -1.887   7.720
    3    HB2  MET   2           HB2      MET   2 -12.037  -1.855   8.205
    4    HB3  MET   2           HB3      MET   2 -12.674  -1.182   6.712
    5    HG2  MET   2           HG2      MET   2 -12.524   0.648   8.124
    6    HG3  MET   2           HG3      MET   2 -14.224   0.191   8.214
    7    HE2  MET   2           HE1      MET   2 -11.404   0.734  11.623
    8    HE1  MET   2           HE2      MET   2 -11.763   1.726  10.209
    9    HE3  MET   2           HE3      MET   2 -10.771   0.278  10.041

  No H/Q in entry =           9
  In of MODEL    8
    1    H    ASP   3           H        ASP   3 -15.470  -2.430   5.676
    2    HA   ASP   3           HA       ASP   3 -14.990  -5.016   4.712
    3    HB2  ASP   3           HB2      ASP   3 -15.725  -2.613   3.032
    4    HB3  ASP   3           HB3      ASP   3 -16.066  -4.305   2.682

  No H/Q in entry =           4
  In of MODEL    8
    1    H    CYS   4           H        CYS   4 -14.160  -5.145   2.247
    2    HA   CYS   4           HA       CYS   4 -11.335  -4.726   2.430
    3    HB2  CYS   4           HB2      CYS   4 -13.114  -5.808   0.245
    4    HB3  CYS   4           HB3      CYS   4 -11.368  -5.664   0.067

  No H/Q in entry =           4
  In of MODEL    8
    1    H    THR   5           H        THR   5 -10.084  -3.704   0.657
    2    HA   THR   5           HA       THR   5 -11.429  -1.528  -0.729
    3    HB   THR   5           HB       THR   5  -9.099  -1.047   1.135
    4    HG1  THR   5           HG1      THR   5 -11.793  -0.188   1.331
    5   HG23  THR   5          HG21      THR   5  -8.862   0.526  -0.581
    6   HG22  THR   5          HG22      THR   5  -9.720   1.373   0.706
    7   HG21  THR   5          HG23      THR   5 -10.602   0.782  -0.702

  No H/Q in entry =           7
  In of MODEL    8
    1    H    THR   6           H        THR   6 -10.667  -3.510  -2.137
    2    HA   THR   6           HA       THR   6  -8.076  -3.983  -2.871
    3    HB   THR   6           HB       THR   6  -9.288  -4.097  -5.303
    4    HG1  THR   6           HG1      THR   6 -11.333  -3.791  -5.077
    5   HG22  THR   6          HG21      THR   6 -10.266  -6.302  -3.763
    6   HG21  THR   6          HG22      THR   6  -8.604  -5.929  -3.304
    7   HG23  THR   6          HG23      THR   6  -8.999  -6.264  -4.990

  No H/Q in entry =           7
  In of MODEL    8
    1    H    GLY   7           H        GLY   7  -6.483  -2.924  -3.861
    2    HA3  GLY   7           HA2      GLY   7  -6.751  -0.989  -5.860
    3    HA2  GLY   7           HA3      GLY   7  -6.639  -0.148  -4.321

  No H/Q in entry =           3
  In of MODEL    8
    1    HA   PRO   8           HA       PRO   8  -2.290  -0.627  -5.624
    2    HB2  PRO   8           HB2      PRO   8  -1.818   1.708  -3.943
    3    HB3  PRO   8           HB3      PRO   8  -1.582   1.525  -5.682
    4    HG2  PRO   8           HG2      PRO   8  -3.527   3.085  -4.613
    5    HG3  PRO   8           HG3      PRO   8  -3.695   2.268  -6.178
    6    HD2  PRO   8           HD2      PRO   8  -4.802   1.495  -3.505
    7    HD3  PRO   8           HD3      PRO   8  -5.567   1.419  -5.107

  No H/Q in entry =           7
  In of MODEL    8
    1    H    CYS   9           H        CYS   9  -3.341   0.321  -2.348
    2    HA   CYS   9           HA       CYS   9  -1.108  -1.189  -1.209
    3    HB2  CYS   9           HB2      CYS   9  -2.550   1.166  -0.440
    4    HB3  CYS   9           HB3      CYS   9  -2.690  -0.031   0.841

  No H/Q in entry =           4
  In of MODEL    8
    1    H    CYS  10           H        CYS  10  -3.467  -2.481  -2.449
    2    HA   CYS  10           HA       CYS  10  -4.374  -4.013  -0.100
    3    HB2  CYS  10           HB2      CYS  10  -5.971  -2.530  -1.841
    4    HB3  CYS  10           HB3      CYS  10  -6.169  -4.191  -2.378

  No H/Q in entry =           4
  In of MODEL    8
    1    H    ARG  11           H        ARG  11  -3.501  -5.979  -0.132
    2    HA   ARG  11           HA       ARG  11  -3.392  -7.421  -2.685
    3    HB2  ARG  11           HB2      ARG  11  -1.144  -6.380  -1.917
    4    HB3  ARG  11           HB3      ARG  11  -1.142  -7.664  -0.715
    5    HG2  ARG  11           HG2      ARG  11   0.143  -8.432  -2.541
    6    HG3  ARG  11           HG3      ARG  11  -1.394  -9.296  -2.607
    7    HD2  ARG  11           HD2      ARG  11  -2.197  -7.798  -4.332
    8    HD3  ARG  11           HD3      ARG  11  -0.723  -6.837  -4.220
    9    HE   ARG  11           HE       ARG  11   0.315  -8.364  -5.560
   10   HH11  ARG  11          HH11      ARG  11  -2.545  -9.842  -4.214
   11   HH12  ARG  11          HH12      ARG  11  -2.398 -11.284  -5.161
   12   HH21  ARG  11          HH21      ARG  11   0.510 -10.259  -6.807
   13   HH22  ARG  11          HH22      ARG  11  -0.663 -11.522  -6.633

  No H/Q in entry =          13
  In of MODEL    8
    1    H    GLN  12           H        GLN  12  -4.763  -7.410   0.210
    2    HA   GLN  12           HA       GLN  12  -5.039 -10.299   0.244
    3    HB2  GLN  12           HB2      GLN  12  -3.864  -8.717   2.507
    4    HB3  GLN  12           HB3      GLN  12  -4.689 -10.242   2.793
    5    HG2  GLN  12           HG2      GLN  12  -3.057 -11.124   0.950
    6    HG3  GLN  12           HG3      GLN  12  -2.108  -9.712   1.411
    7   HE21  GLN  12          HE21      GLN  12  -0.443 -10.888   2.294
    8   HE22  GLN  12          HE22      GLN  12  -0.599 -11.781   3.764

  No H/Q in entry =           8
  In of MODEL    8
    1    H    CYS  13           H        CYS  13  -6.563  -7.531   0.096
    2    HA   CYS  13           HA       CYS  13  -8.722  -6.904   0.440
    3    HB2  CYS  13           HB2      CYS  13  -8.860  -9.649   0.456
    4    HB3  CYS  13           HB3      CYS  13  -9.577  -9.232   2.008

  No H/Q in entry =           4
  In of MODEL    8
    1    H    LYS  14           H        LYS  14  -6.455  -7.010   2.650
    2    HA   LYS  14           HA       LYS  14  -8.078  -5.638   4.610
    3    HB2  LYS  14           HB2      LYS  14  -6.866  -8.301   5.092
    4    HB3  LYS  14           HB3      LYS  14  -6.677  -7.115   6.376
    5    HG2  LYS  14           HG2      LYS  14  -9.394  -7.359   5.283
    6    HG3  LYS  14           HG3      LYS  14  -8.785  -8.776   6.141
    7    HD2  LYS  14           HD2      LYS  14  -8.036  -6.826   7.846
    8    HD3  LYS  14           HD3      LYS  14  -9.487  -6.096   7.156
    9    HE2  LYS  14           HE2      LYS  14  -9.710  -8.929   7.948
   10    HE3  LYS  14           HE3      LYS  14  -9.508  -7.773   9.264
   11    HZ3  LYS  14           HZ1      LYS  14 -11.453  -6.638   8.638
   12    HZ2  LYS  14           HZ2      LYS  14 -11.860  -8.279   8.583
   13    HZ1  LYS  14           HZ3      LYS  14 -11.553  -7.436   7.149

  No H/Q in entry =          13
  In of MODEL    8
    1    H    LEU  15           H        LEU  15  -6.427  -4.419   3.030
    2    HA   LEU  15           HA       LEU  15  -4.644  -3.012   2.884
    3    HB2  LEU  15           HB2      LEU  15  -4.168  -3.142   5.811
    4    HB3  LEU  15           HB3      LEU  15  -4.202  -1.755   4.740
    5    HG   LEU  15           HG       LEU  15  -6.647  -3.262   5.667
    6   HD13  LEU  15          HD11      LEU  15  -6.231  -2.199   7.598
    7   HD12  LEU  15          HD12      LEU  15  -6.832  -0.780   6.740
    8   HD11  LEU  15          HD13      LEU  15  -5.096  -1.073   6.855
    9   HD22  LEU  15          HD21      LEU  15  -7.592  -2.241   3.922
   10   HD21  LEU  15          HD22      LEU  15  -6.177  -1.225   3.643
   11   HD23  LEU  15          HD23      LEU  15  -7.388  -0.744   4.832

  No H/Q in entry =          11
  In of MODEL    8
    1    H    LYS  16           H        LYS  16  -2.598  -3.283   2.292
    2    HA   LYS  16           HA       LYS  16  -1.237  -5.715   2.760
    3    HB2  LYS  16           HB2      LYS  16  -0.576  -3.122   1.445
    4    HB3  LYS  16           HB3      LYS  16   0.755  -4.195   1.858
    5    HG2  LYS  16           HG2      LYS  16  -0.684  -5.994   0.640
    6    HG3  LYS  16           HG3      LYS  16  -1.461  -4.591  -0.096
    7    HD2  LYS  16           HD2      LYS  16   1.491  -4.576  -0.067
    8    HD3  LYS  16           HD3      LYS  16   0.731  -5.783  -1.107
    9    HE2  LYS  16           HE2      LYS  16  -0.690  -3.869  -2.008
   10    HE3  LYS  16           HE3      LYS  16   0.444  -2.792  -1.194
   11    HZ3  LYS  16           HZ1      LYS  16   1.079  -3.094  -3.483
   12    HZ2  LYS  16           HZ2      LYS  16   1.116  -4.775  -3.300
   13    HZ1  LYS  16           HZ3      LYS  16   2.241  -3.811  -2.483

  No H/Q in entry =          13
  In of MODEL    8
    1    HA   PRO  17           HA       PRO  17   0.729  -5.131   6.661
    2    HB2  PRO  17           HB2      PRO  17   3.224  -6.196   6.071
    3    HB3  PRO  17           HB3      PRO  17   1.808  -7.131   6.557
    4    HG2  PRO  17           HG2      PRO  17   2.903  -6.627   3.824
    5    HG3  PRO  17           HG3      PRO  17   2.192  -8.107   4.495
    6    HD2  PRO  17           HD2      PRO  17   0.807  -6.521   2.839
    7    HD3  PRO  17           HD3      PRO  17   0.019  -7.343   4.203

  No H/Q in entry =           7
  In of MODEL    8
    1    H    ALA  18           H        ALA  18   1.419  -3.239   7.413
    2    HA   ALA  18           HA       ALA  18   2.482  -1.142   6.053
    3    HB2  ALA  18           HB1      ALA  18   3.398  -0.351   8.240
    4    HB1  ALA  18           HB2      ALA  18   2.961  -1.917   8.923
    5    HB3  ALA  18           HB3      ALA  18   1.707  -0.851   8.291

  No H/Q in entry =           5
  In of MODEL    8
    1    H    GLY  19           H        GLY  19   4.672  -0.146   6.180
    2    HA3  GLY  19           HA2      GLY  19   6.919  -0.204   5.708
    3    HA2  GLY  19           HA3      GLY  19   6.992  -1.642   6.716

  No H/Q in entry =           3
  In of MODEL    8
    1    H    THR  20           H        THR  20   4.839  -1.729   4.039
    2    HA   THR  20           HA       THR  20   6.772  -3.364   2.532
    3    HB   THR  20           HB       THR  20   3.774  -3.723   2.718
    4    HG1  THR  20           HG1      THR  20   4.239  -4.905   4.365
    5   HG23  THR  20          HG21      THR  20   3.850  -5.431   1.240
    6   HG22  THR  20          HG22      THR  20   5.532  -5.821   1.603
    7   HG21  THR  20          HG23      THR  20   5.149  -4.440   0.575

  No H/Q in entry =           7
  In of MODEL    8
    1    H    THR  21           H        THR  21   7.022  -2.944   0.397
    2    HA   THR  21           HA       THR  21   6.226  -0.463  -0.631
    3    HB   THR  21           HB       THR  21   6.800  -2.177  -2.816
    4    HG1  THR  21           HG1      THR  21   8.628  -2.581  -0.695
    5   HG21  THR  21          HG21      THR  21   8.212  -0.035  -1.335
    6   HG23  THR  21          HG22      THR  21   7.756  -0.132  -3.037
    7   HG22  THR  21          HG23      THR  21   9.144  -1.044  -2.442

  No H/Q in entry =           7
  In of MODEL    8
    1    H    CYS  22           H        CYS  22   4.460   0.217  -1.659
    2    HA   CYS  22           HA       CYS  22   2.469  -1.807  -2.436
    3    HB2  CYS  22           HB2      CYS  22   0.848   0.185  -2.226
    4    HB3  CYS  22           HB3      CYS  22   1.461  -0.544  -0.747

  No H/Q in entry =           4
  In of MODEL    8
    1    H    TRP  23           H        TRP  23   4.688  -0.799  -4.082
    2    HA   TRP  23           HA       TRP  23   3.205  -0.346  -6.462
    3    HB2  TRP  23           HB2      TRP  23   3.912   1.981  -5.014
    4    HB3  TRP  23           HB3      TRP  23   4.984   1.910  -6.411
    5    HD1  TRP  23           HD1      TRP  23   1.546   0.463  -6.852
    6    HE1  TRP  23           HE1      TRP  23   0.149   1.992  -8.379
    7    HE3  TRP  23           HE3      TRP  23   4.682   4.481  -7.072
    8    HZ2  TRP  23           HZ2      TRP  23   0.343   4.550  -9.516
    9    HZ3  TRP  23           HZ3      TRP  23   3.998   6.438  -8.399
   10    HH2  TRP  23           HH2      TRP  23   1.873   6.470  -9.598

  No H/Q in entry =          10
  In of MODEL    8
    1    H    LYS  24           H        LYS  24   6.405   0.764  -5.484
    2    HA   LYS  24           HA       LYS  24   8.456   0.413  -6.432
    3    HB2  LYS  24           HB2      LYS  24   9.243  -1.828  -6.266
    4    HB3  LYS  24           HB3      LYS  24   8.085  -1.589  -4.966
    5    HG2  LYS  24           HG2      LYS  24   6.998  -2.704  -7.471
    6    HG3  LYS  24           HG3      LYS  24   8.107  -3.736  -6.571
    7    HD2  LYS  24           HD2      LYS  24   6.690  -3.954  -4.801
    8    HD3  LYS  24           HD3      LYS  24   5.979  -2.356  -5.033
    9    HE2  LYS  24           HE2      LYS  24   4.342  -3.153  -6.339
   10    HE3  LYS  24           HE3      LYS  24   5.443  -4.201  -7.232
   11    HZ3  LYS  24           HZ1      LYS  24   4.185  -5.752  -6.179
   12    HZ2  LYS  24           HZ2      LYS  24   3.864  -4.772  -4.838
   13    HZ1  LYS  24           HZ3      LYS  24   5.366  -5.536  -4.986

  No H/Q in entry =          13
  In of MODEL    8
    1    H    THR  25           H        THR  25   6.306   0.946  -8.291
    2    HA   THR  25           HA       THR  25   6.558  -0.721 -10.582
    3    HB   THR  25           HB       THR  25   5.713   1.984 -11.199
    4    HG1  THR  25           HG1      THR  25   4.371   0.706  -9.055
    5   HG22  THR  25          HG21      THR  25   3.490   0.751 -11.508
    6   HG21  THR  25          HG22      THR  25   4.429  -0.714 -11.219
    7   HG23  THR  25          HG23      THR  25   4.835   0.340 -12.573

  No H/Q in entry =           7
  In of MODEL    8
    1    H    SER  26           H        SER  26   7.237   0.257 -12.740
    2    HA   SER  26           HA       SER  26   9.991   0.943 -12.580
    3    HB2  SER  26           HB2      SER  26   8.511  -0.254 -14.477
    4    HB3  SER  26           HB3      SER  26   8.538   1.382 -15.134
    5    HG   SER  26           HG       SER  26  10.345  -0.274 -15.586

  No H/Q in entry =           5
  In of MODEL    8
    1    H    VAL  27           H        VAL  27   7.170   2.811 -12.411
    2    HA   VAL  27           HA       VAL  27   8.525   5.229 -13.366
    3    HB   VAL  27           HB       VAL  27   6.262   4.797 -14.250
    4   HG11  VAL  27          HG11      VAL  27   5.367   3.643 -12.261
    5   HG13  VAL  27          HG12      VAL  27   4.312   4.940 -12.821
    6   HG12  VAL  27          HG13      VAL  27   5.334   5.184 -11.404
    7   HG22  VAL  27          HG21      VAL  27   5.549   7.000 -14.141
    8   HG21  VAL  27          HG22      VAL  27   7.257   7.133 -13.724
    9   HG23  VAL  27          HG23      VAL  27   6.034   7.181 -12.454

  No H/Q in entry =           9
  In of MODEL    8
    1    H    SER  28           H        SER  28   7.189   3.732 -10.498
    2    HA   SER  28           HA       SER  28   8.521   5.712  -8.850
    3    HB2  SER  28           HB2      SER  28   5.599   5.617  -9.224
    4    HB3  SER  28           HB3      SER  28   6.130   5.680  -7.545
    5    HG   SER  28           HG       SER  28   5.867   7.770  -8.439

  No H/Q in entry =           5
  In of MODEL    8
    1    H    SER  29           H        SER  29   7.670   5.160  -6.410
    2    HA   SER  29           HA       SER  29   7.166   2.444  -5.820
    3    HB2  SER  29           HB2      SER  29   9.324   1.722  -5.011
    4    HB3  SER  29           HB3      SER  29   9.526   2.269  -6.676
    5    HG   SER  29           HG       SER  29  10.511   3.335  -4.323

  No H/Q in entry =           5
  In of MODEL    8
    1    H    HIS  30           H        HIS  30   6.137   2.544  -3.941
    2    HA   HIS  30           HA       HIS  30   7.073   4.458  -1.910
    3    HB2  HIS  30           HB2      HIS  30   4.152   3.855  -2.321
    4    HB3  HIS  30           HB3      HIS  30   4.879   5.180  -1.421
    5    HD1  HIS  30           HD1      HIS  30   4.177   7.236  -2.619
    6    HD2  HIS  30           HD2      HIS  30   5.409   4.258  -5.240
    7    HE1  HIS  30           HE1      HIS  30   4.119   8.284  -4.908
    8    HE2  HIS  30           HE2      HIS  30   4.758   6.432  -6.480

  No H/Q in entry =           8
  In of MODEL    8
    1    H    TYR  31           H        TYR  31   5.242   3.843   0.071
    2    HA   TYR  31           HA       TYR  31   5.488   0.957   0.510
    3    HB2  TYR  31           HB2      TYR  31   6.712   3.131   2.152
    4    HB3  TYR  31           HB3      TYR  31   6.093   1.704   2.977
    5    HD1  TYR  31           HD1      TYR  31   8.291   2.623   0.098
    6    HD2  TYR  31           HD2      TYR  31   7.510  -0.099   3.273
    7    HE1  TYR  31           HE1      TYR  31  10.376   1.428  -0.422
    8    HE2  TYR  31           HE2      TYR  31   9.594  -1.301   2.763
    9    HH   TYR  31           HH       TYR  31  11.314  -0.869  -0.090

  No H/Q in entry =           9
  In of MODEL    8
    1    H    CYS  32           H        CYS  32   4.067   0.133   2.169
    2    HA   CYS  32           HA       CYS  32   1.622   1.713   2.355
    3    HB2  CYS  32           HB2      CYS  32   1.959  -0.882   1.706
    4    HB3  CYS  32           HB3      CYS  32   1.707  -1.044   3.441

  No H/Q in entry =           4
  In of MODEL    8
    1    H    THR  33           H        THR  33   0.449   1.853   4.362
    2    HA   THR  33           HA       THR  33   2.244   1.896   6.695
    3    HB   THR  33           HB       THR  33   1.063   3.753   7.543
    4    HG1  THR  33           HG1      THR  33  -0.902   3.324   5.544
    5   HG23  THR  33          HG21      THR  33   1.064   5.434   5.824
    6   HG22  THR  33          HG22      THR  33   1.052   4.196   4.568
    7   HG21  THR  33          HG23      THR  33   2.458   4.374   5.617

  No H/Q in entry =           7
  In of MODEL    8
    1    H    GLY  34           H        GLY  34   0.309  -0.223   5.516
    2    HA3  GLY  34           HA2      GLY  34  -1.213  -1.761   6.303
    3    HA2  GLY  34           HA3      GLY  34  -0.334  -1.576   7.812

  No H/Q in entry =           3
  In of MODEL    8
    1    H    ARG  35           H        ARG  35  -2.074   1.096   6.401
    2    HA   ARG  35           HA       ARG  35  -4.048   0.882   8.578
    3    HB2  ARG  35           HB2      ARG  35  -2.330   2.877   8.367
    4    HB3  ARG  35           HB3      ARG  35  -3.498   3.473   7.196
    5    HG2  ARG  35           HG2      ARG  35  -5.215   3.023   9.107
    6    HG3  ARG  35           HG3      ARG  35  -3.785   3.099  10.138
    7    HD2  ARG  35           HD2      ARG  35  -3.324   5.293   8.755
    8    HD3  ARG  35           HD3      ARG  35  -5.066   5.228   8.496
    9    HE   ARG  35           HE       ARG  35  -4.362   4.922  11.247
   10   HH11  ARG  35          HH11      ARG  35  -4.853   7.271   8.713
   11   HH12  ARG  35          HH12      ARG  35  -5.244   8.555   9.808
   12   HH21  ARG  35          HH21      ARG  35  -4.876   6.609  12.688
   13   HH22  ARG  35          HH22      ARG  35  -5.256   8.180  12.064

  No H/Q in entry =          13
  In of MODEL    8
    1    H    SER  36           H        SER  36  -3.563   1.605   5.177
    2    HA   SER  36           HA       SER  36  -6.362   0.970   4.668
    3    HB2  SER  36           HB2      SER  36  -5.053   3.591   3.947
    4    HB3  SER  36           HB3      SER  36  -6.453   2.977   3.067
    5    HG   SER  36           HG       SER  36  -6.258   3.866   5.718

  No H/Q in entry =           5
  In of MODEL    8
    1    H    CYS  37           H        CYS  37  -6.736   0.911   2.194
    2    HA   CYS  37           HA       CYS  37  -4.497  -0.578   1.061
    3    HB2  CYS  37           HB2      CYS  37  -7.423  -0.411   0.408
    4    HB3  CYS  37           HB3      CYS  37  -6.279  -1.133  -0.715

  No H/Q in entry =           4
  In of MODEL    8
    1    H    GLU  38           H        GLU  38  -5.084   2.517   1.156
    2    HA   GLU  38           HA       GLU  38  -4.755   3.052  -1.710
    3    HB2  GLU  38           HB2      GLU  38  -5.338   4.934   0.584
    4    HB3  GLU  38           HB3      GLU  38  -5.185   5.414  -1.100
    5    HG2  GLU  38           HG2      GLU  38  -7.118   3.270  -0.640
    6    HG3  GLU  38           HG3      GLU  38  -7.516   4.793   0.155

  No H/Q in entry =           6
  In of MODEL    8
    1    H    CYS  39           H        CYS  39  -2.622   2.624  -2.102
    2    HA   CYS  39           HA       CYS  39  -0.462   3.203  -0.442
    3    HB2  CYS  39           HB2      CYS  39  -0.356   1.715  -2.416
    4    HB3  CYS  39           HB3      CYS  39  -0.493   3.119  -3.466

  No H/Q in entry =           4
  In of MODEL    8
    1    HA   PRO  40           HA       PRO  40  -0.236   7.636  -0.482
    2    HB2  PRO  40           HB2      PRO  40   2.498   7.841  -0.078
    3    HB3  PRO  40           HB3      PRO  40   1.296   7.637   1.200
    4    HG2  PRO  40           HG2      PRO  40   3.029   5.591  -0.118
    5    HG3  PRO  40           HG3      PRO  40   2.569   5.743   1.588
    6    HD2  PRO  40           HD2      PRO  40   1.404   3.940  -0.012
    7    HD3  PRO  40           HD3      PRO  40   0.477   4.799   1.237

  No H/Q in entry =           7
  In of MODEL    8
    1    H    SER  41           H        SER  41   0.576   9.360  -1.752
    2    HA   SER  41           HA       SER  41   1.474   8.502  -4.399
    3    HB2  SER  41           HB2      SER  41   0.600  11.289  -3.660
    4    HB3  SER  41           HB3      SER  41   0.586  10.519  -5.246
    5    HG   SER  41           HG       SER  41  -1.494  10.679  -4.121

  No H/Q in entry =           5
  In of MODEL    8
    1    H    TYR  42           H        TYR  42   3.219   8.827  -1.946
    2    HA   TYR  42           HA       TYR  42   5.276  10.422  -3.277
    3    HB2  TYR  42           HB2      TYR  42   5.866  11.627  -1.284
    4    HB3  TYR  42           HB3      TYR  42   4.142  11.854  -1.557
    5    HD1  TYR  42           HD1      TYR  42   2.584  11.289   0.110
    6    HD2  TYR  42           HD2      TYR  42   6.592   9.902   0.437
    7    HE1  TYR  42           HE1      TYR  42   2.119  10.503   2.393
    8    HE2  TYR  42           HE2      TYR  42   6.138   9.111   2.720
    9    HH   TYR  42           HH       TYR  42   3.186   8.619   3.944

  No H/Q in entry =           9
  In of MODEL    8
    1    HA   PRO  43           HA       PRO  43   7.739   6.917  -2.160
    2    HB2  PRO  43           HB2      PRO  43  10.209   7.945  -2.514
    3    HB3  PRO  43           HB3      PRO  43   9.133   7.586  -3.870
    4    HG2  PRO  43           HG2      PRO  43   9.685  10.210  -2.535
    5    HG3  PRO  43           HG3      PRO  43   9.565   9.841  -4.266
    6    HD2  PRO  43           HD2      PRO  43   7.531  10.952  -2.849
    7    HD3  PRO  43           HD3      PRO  43   7.264   9.885  -4.242

  No H/Q in entry =           7
  In of MODEL    8
    1    H    GLY  44           H        GLY  44   8.902   6.076  -0.442
    2    HA3  GLY  44           HA2      GLY  44   8.962   7.752   1.941
    3    HA2  GLY  44           HA3      GLY  44   9.170   6.008   1.888

  No H/Q in entry =           3
  In of MODEL    8
    1    H    ASN  45           H        ASN  45  10.892   6.855   3.485
    2    HA   ASN  45           HA       ASN  45  13.097   7.079   3.994
    3    HB2  ASN  45           HB2      ASN  45  13.381   6.091   1.151
    4    HB3  ASN  45           HB3      ASN  45  14.738   6.293   2.255
    5   HD21  ASN  45          HD21      ASN  45  13.897   5.341   4.581
    6   HD22  ASN  45          HD22      ASN  45  13.448   3.678   4.459

  No H/Q in entry =           6
  In of MODEL    8
    1    H    GLY  46           H        GLY  46  11.620   9.362   2.958
    2    HA3  GLY  46           HA2      GLY  46  12.042  11.557   2.435
    3    HA2  GLY  46           HA3      GLY  46  13.737  11.209   2.743

  No H/Q in entry =           3
  In of MODEL    9
    1    H1   ALA   1           H2       ALA   1 -16.411  -4.151  -1.695
    2    H2   ALA   1           H1       ALA   1 -17.517  -5.391  -2.127
    3    H3   ALA   1           H3       ALA   1 -17.164  -4.133  -3.237
    4    HA   ALA   1           HA       ALA   1 -18.276  -2.563  -2.019
    5    HB3  ALA   1           HB1      ALA   1 -19.683  -5.185  -2.253
    6    HB2  ALA   1           HB2      ALA   1 -19.916  -3.697  -3.170
    7    HB1  ALA   1           HB3      ALA   1 -20.508  -3.813  -1.513

  No H/Q in entry =           7
  In of MODEL    9
    1    H    MET   2           H        MET   2 -16.994  -2.141  -0.131
    2    HA   MET   2           HA       MET   2 -16.694  -1.884   2.109
    3    HB2  MET   2           HB2      MET   2 -19.174  -1.418   1.938
    4    HB3  MET   2           HB3      MET   2 -19.445  -3.085   2.425
    5    HG2  MET   2           HG2      MET   2 -17.783  -2.286   4.383
    6    HG3  MET   2           HG3      MET   2 -18.586  -0.762   4.009
    7    HE1  MET   2           HE1      MET   2 -18.601  -1.593   6.604
    8    HE3  MET   2           HE2      MET   2 -19.103  -3.260   6.884
    9    HE2  MET   2           HE3      MET   2 -20.202  -1.933   7.261

  No H/Q in entry =           9
  In of MODEL    9
    1    H    ASP   3           H        ASP   3 -15.798  -4.306   0.873
    2    HA   ASP   3           HA       ASP   3 -15.706  -6.008   3.256
    3    HB2  ASP   3           HB2      ASP   3 -15.910  -8.036   1.859
    4    HB3  ASP   3           HB3      ASP   3 -17.362  -7.042   1.795

  No H/Q in entry =           4
  In of MODEL    9
    1    H    CYS   4           H        CYS   4 -13.686  -6.485   3.799
    2    HA   CYS   4           HA       CYS   4 -11.430  -6.765   3.724
    3    HB2  CYS   4           HB2      CYS   4 -12.255  -7.599   0.976
    4    HB3  CYS   4           HB3      CYS   4 -10.541  -7.398   1.322

  No H/Q in entry =           4
  In of MODEL    9
    1    H    THR   5           H        THR   5  -9.828  -5.330   3.752
    2    HA   THR   5           HA       THR   5 -10.150  -2.732   2.732
    3    HB   THR   5           HB       THR   5  -7.418  -3.755   3.330
    4    HG1  THR   5           HG1      THR   5  -9.428  -3.466   5.308
    5   HG23  THR   5          HG21      THR   5  -7.027  -1.708   4.257
    6   HG22  THR   5          HG22      THR   5  -8.715  -1.465   4.707
    7   HG21  THR   5          HG23      THR   5  -8.216  -1.281   3.026

  No H/Q in entry =           7
  In of MODEL    9
    1    H    THR   6           H        THR   6 -10.608  -3.025   0.493
    2    HA   THR   6           HA       THR   6  -8.548  -4.118  -1.225
    3    HB   THR   6           HB       THR   6 -10.102  -3.646  -3.050
    4    HG1  THR   6           HG1      THR   6 -11.774  -2.481  -1.082
    5   HG23  THR   6          HG21      THR   6 -10.927  -5.615  -2.415
    6   HG22  THR   6          HG22      THR   6 -12.258  -4.671  -1.747
    7   HG21  THR   6          HG23      THR   6 -10.926  -5.176  -0.707

  No H/Q in entry =           7
  In of MODEL    9
    1    H    GLY   7           H        GLY   7  -6.962  -2.996  -2.140
    2    HA3  GLY   7           HA2      GLY   7  -7.096  -0.507  -3.311
    3    HA2  GLY   7           HA3      GLY   7  -6.658  -0.200  -1.638

  No H/Q in entry =           3
  In of MODEL    9
    1    HA   PRO   8           HA       PRO   8  -2.831  -1.251  -4.143
    2    HB2  PRO   8           HB2      PRO   8  -1.617   1.143  -4.146
    3    HB3  PRO   8           HB3      PRO   8  -2.856   0.726  -5.336
    4    HG2  PRO   8           HG2      PRO   8  -3.103   2.357  -2.837
    5    HG3  PRO   8           HG3      PRO   8  -3.779   2.668  -4.447
    6    HD2  PRO   8           HD2      PRO   8  -5.211   1.577  -2.387
    7    HD3  PRO   8           HD3      PRO   8  -5.566   1.274  -4.098

  No H/Q in entry =           7
  In of MODEL    9
    1    H    CYS   9           H        CYS   9  -3.625  -0.472  -1.027
    2    HA   CYS   9           HA       CYS   9  -0.834  -0.784  -0.145
    3    HB2  CYS   9           HB2      CYS   9  -2.415   1.420   0.341
    4    HB3  CYS   9           HB3      CYS   9  -2.604   0.474   1.813

  No H/Q in entry =           4
  In of MODEL    9
    1    H    CYS  10           H        CYS  10  -3.191  -2.681  -0.596
    2    HA   CYS  10           HA       CYS  10  -2.943  -4.022   2.006
    3    HB2  CYS  10           HB2      CYS  10  -5.487  -3.916   0.378
    4    HB3  CYS  10           HB3      CYS  10  -5.267  -4.720   1.929

  No H/Q in entry =           4
  In of MODEL    9
    1    H    ARG  11           H        ARG  11  -2.500  -6.152   1.918
    2    HA   ARG  11           HA       ARG  11  -1.478  -7.322  -0.372
    3    HB2  ARG  11           HB2      ARG  11  -2.342  -8.332   2.287
    4    HB3  ARG  11           HB3      ARG  11  -2.094  -9.523   1.018
    5    HG2  ARG  11           HG2      ARG  11   0.048  -7.526   1.351
    6    HG3  ARG  11           HG3      ARG  11  -0.158  -8.680   2.670
    7    HD2  ARG  11           HD2      ARG  11   0.162  -9.415  -0.238
    8    HD3  ARG  11           HD3      ARG  11   1.460  -9.435   0.955
    9    HE   ARG  11           HE       ARG  11  -0.579 -11.406   0.597
   10   HH11  ARG  11          HH11      ARG  11   1.531  -9.931   2.953
   11   HH12  ARG  11          HH12      ARG  11   1.534 -11.311   3.999
   12   HH21  ARG  11          HH21      ARG  11  -0.577 -13.222   1.971
   13   HH22  ARG  11          HH22      ARG  11   0.338 -13.180   3.441

  No H/Q in entry =          13
  In of MODEL    9
    1    H    GLN  12           H        GLN  12  -4.303  -8.785   1.198
    2    HA   GLN  12           HA       GLN  12  -5.714  -8.786  -1.367
    3    HB2  GLN  12           HB2      GLN  12  -4.979 -11.221   0.241
    4    HB3  GLN  12           HB3      GLN  12  -6.317 -11.228  -0.901
    5    HG2  GLN  12           HG2      GLN  12  -4.628 -10.419  -2.627
    6    HG3  GLN  12           HG3      GLN  12  -3.393 -10.872  -1.453
    7   HE21  GLN  12          HE21      GLN  12  -5.211 -11.916  -4.020
    8   HE22  GLN  12          HE22      GLN  12  -5.008 -13.621  -3.828

  No H/Q in entry =           8
  In of MODEL    9
    1    H    CYS  13           H        CYS  13  -5.873  -7.907   1.727
    2    HA   CYS  13           HA       CYS  13  -8.637  -7.552   1.777
    3    HB2  CYS  13           HB2      CYS  13  -8.678 -10.014   2.078
    4    HB3  CYS  13           HB3      CYS  13  -7.726  -9.829   3.547

  No H/Q in entry =           4
  In of MODEL    9
    1    H    LYS  14           H        LYS  14  -5.661  -7.904   3.621
    2    HA   LYS  14           HA       LYS  14  -6.660  -5.869   5.501
    3    HB2  LYS  14           HB2      LYS  14  -5.840  -8.279   6.237
    4    HB3  LYS  14           HB3      LYS  14  -4.257  -7.522   6.127
    5    HG2  LYS  14           HG2      LYS  14  -6.253  -5.963   7.603
    6    HG3  LYS  14           HG3      LYS  14  -5.833  -7.513   8.333
    7    HD2  LYS  14           HD2      LYS  14  -3.425  -6.872   8.114
    8    HD3  LYS  14           HD3      LYS  14  -3.957  -5.272   7.592
    9    HE2  LYS  14           HE2      LYS  14  -4.923  -6.459  10.169
   10    HE3  LYS  14           HE3      LYS  14  -3.366  -5.637  10.078
   11    HZ3  LYS  14           HZ1      LYS  14  -4.383  -3.624   9.535
   12    HZ2  LYS  14           HZ2      LYS  14  -5.375  -4.263  10.747
   13    HZ1  LYS  14           HZ3      LYS  14  -5.855  -4.354   9.127

  No H/Q in entry =          13
  In of MODEL    9
    1    H    LEU  15           H        LEU  15  -5.105  -4.299   6.276
    2    HA   LEU  15           HA       LEU  15  -3.736  -2.998   4.218
    3    HB2  LEU  15           HB2      LEU  15  -3.145  -2.693   7.157
    4    HB3  LEU  15           HB3      LEU  15  -2.911  -1.501   5.893
    5    HG   LEU  15           HG       LEU  15  -5.688  -2.402   6.150
    6   HD11  LEU  15          HD11      LEU  15  -4.195  -1.426   8.506
    7   HD13  LEU  15          HD12      LEU  15  -5.635  -2.440   8.411
    8   HD12  LEU  15          HD13      LEU  15  -5.771  -0.694   8.202
    9   HD23  LEU  15          HD21      LEU  15  -5.784   0.237   6.377
   10   HD22  LEU  15          HD22      LEU  15  -5.524  -0.559   4.825
   11   HD21  LEU  15          HD23      LEU  15  -4.154   0.099   5.719

  No H/Q in entry =          11
  In of MODEL    9
    1    H    LYS  16           H        LYS  16  -1.776  -3.263   3.353
    2    HA   LYS  16           HA       LYS  16  -0.153  -5.456   3.960
    3    HB2  LYS  16           HB2      LYS  16   0.410  -2.913   2.436
    4    HB3  LYS  16           HB3      LYS  16   1.578  -4.221   2.562
    5    HG2  LYS  16           HG2      LYS  16  -0.501  -5.636   1.704
    6    HG3  LYS  16           HG3      LYS  16  -0.947  -4.068   1.028
    7    HD2  LYS  16           HD2      LYS  16   1.549  -4.056   0.222
    8    HD3  LYS  16           HD3      LYS  16   1.404  -5.803   0.421
    9    HE2  LYS  16           HE2      LYS  16  -0.824  -5.414  -0.945
   10    HE3  LYS  16           HE3      LYS  16   0.043  -3.983  -1.500
   11    HZ3  LYS  16           HZ1      LYS  16   1.753  -5.305  -2.397
   12    HZ2  LYS  16           HZ2      LYS  16   0.312  -6.042  -2.887
   13    HZ1  LYS  16           HZ3      LYS  16   1.209  -6.704  -1.615

  No H/Q in entry =          13
  In of MODEL    9
    1    HA   PRO  17           HA       PRO  17   2.124  -4.299   7.566
    2    HB2  PRO  17           HB2      PRO  17   4.603  -5.327   6.792
    3    HB3  PRO  17           HB3      PRO  17   3.328  -6.221   7.624
    4    HG2  PRO  17           HG2      PRO  17   4.012  -6.147   4.722
    5    HG3  PRO  17           HG3      PRO  17   3.449  -7.507   5.711
    6    HD2  PRO  17           HD2      PRO  17   1.802  -6.241   4.022
    7    HD3  PRO  17           HD3      PRO  17   1.229  -6.829   5.598

  No H/Q in entry =           7
  In of MODEL    9
    1    H    ALA  18           H        ALA  18   2.798  -2.304   8.000
    2    HA   ALA  18           HA       ALA  18   3.592  -0.360   6.274
    3    HB3  ALA  18           HB1      ALA  18   3.137  -0.326   8.857
    4    HB2  ALA  18           HB2      ALA  18   4.117   0.929   8.098
    5    HB1  ALA  18           HB3      ALA  18   4.897  -0.402   8.952

  No H/Q in entry =           5
  In of MODEL    9
    1    H    GLY  19           H        GLY  19   5.701   0.703   5.949
    2    HA3  GLY  19           HA2      GLY  19   7.907   0.685   5.302
    3    HA2  GLY  19           HA3      GLY  19   8.145  -0.647   6.423

  No H/Q in entry =           3
  In of MODEL    9
    1    H    THR  20           H        THR  20   5.716  -1.090   4.043
    2    HA   THR  20           HA       THR  20   7.566  -2.692   2.402
    3    HB   THR  20           HB       THR  20   4.735  -3.398   3.207
    4    HG1  THR  20           HG1      THR  20   5.767  -5.108   4.297
    5   HG23  THR  20          HG21      THR  20   4.684  -5.092   1.761
    6   HG22  THR  20          HG22      THR  20   6.395  -5.463   1.978
    7   HG21  THR  20          HG23      THR  20   5.905  -4.168   0.885

  No H/Q in entry =           7
  In of MODEL    9
    1    H    THR  21           H        THR  21   7.528  -2.231   0.288
    2    HA   THR  21           HA       THR  21   6.294  -0.081  -0.839
    3    HB   THR  21           HB       THR  21   8.096  -1.468  -1.877
    4    HG1  THR  21           HG1      THR  21   5.830  -0.716  -3.383
    5   HG23  THR  21          HG21      THR  21   7.800  -3.504  -2.712
    6   HG22  THR  21          HG22      THR  21   6.215  -3.105  -3.377
    7   HG21  THR  21          HG23      THR  21   6.372  -3.558  -1.679

  No H/Q in entry =           7
  In of MODEL    9
    1    H    CYS  22           H        CYS  22   4.231   0.448  -1.027
    2    HA   CYS  22           HA       CYS  22   2.176  -1.580  -0.997
    3    HB2  CYS  22           HB2      CYS  22   0.641   0.171  -0.632
    4    HB3  CYS  22           HB3      CYS  22   2.080   0.624   0.268

  No H/Q in entry =           4
  In of MODEL    9
    1    H    TRP  23           H        TRP  23   3.432   0.819  -3.271
    2    HA   TRP  23           HA       TRP  23   1.591  -0.188  -5.311
    3    HB2  TRP  23           HB2      TRP  23   2.188   2.367  -4.718
    4    HB3  TRP  23           HB3      TRP  23   3.404   2.062  -5.953
    5    HD1  TRP  23           HD1      TRP  23   0.879  -0.042  -7.195
    6    HE1  TRP  23           HE1      TRP  23  -0.711   1.133  -8.843
    7    HE3  TRP  23           HE3      TRP  23   1.979   4.816  -6.057
    8    HZ2  TRP  23           HZ2      TRP  23  -1.407   3.769  -9.561
    9    HZ3  TRP  23           HZ3      TRP  23   0.808   6.607  -7.272
   10    HH2  TRP  23           HH2      TRP  23  -0.849   6.091  -8.990

  No H/Q in entry =          10
  In of MODEL    9
    1    H    LYS  24           H        LYS  24   4.917   1.026  -5.529
    2    HA   LYS  24           HA       LYS  24   6.724   0.286  -6.700
    3    HB2  LYS  24           HB2      LYS  24   5.893  -1.784  -5.068
    4    HB3  LYS  24           HB3      LYS  24   6.046  -2.555  -6.640
    5    HG2  LYS  24           HG2      LYS  24   8.357  -1.472  -6.748
    6    HG3  LYS  24           HG3      LYS  24   8.155  -1.174  -5.020
    7    HD2  LYS  24           HD2      LYS  24   9.266  -3.210  -5.058
    8    HD3  LYS  24           HD3      LYS  24   7.577  -3.696  -4.901
    9    HE2  LYS  24           HE2      LYS  24   8.294  -5.097  -6.579
   10    HE3  LYS  24           HE3      LYS  24   7.651  -3.746  -7.510
   11    HZ1  LYS  24           HZ1      LYS  24  10.508  -3.904  -6.764
   12    HZ3  LYS  24           HZ2      LYS  24   9.788  -2.959  -7.968
   13    HZ2  LYS  24           HZ3      LYS  24   9.914  -4.634  -8.171

  No H/Q in entry =          13
  In of MODEL    9
    1    H    THR  25           H        THR  25   4.189   0.797  -8.121
    2    HA   THR  25           HA       THR  25   3.660  -1.041 -10.142
    3    HB   THR  25           HB       THR  25   2.167   0.796  -9.805
    4    HG1  THR  25           HG1      THR  25   1.840   1.324 -11.876
    5   HG21  THR  25          HG21      THR  25   4.481   2.373  -9.580
    6   HG23  THR  25          HG22      THR  25   2.799   2.864  -9.379
    7   HG22  THR  25          HG23      THR  25   3.571   2.986 -10.960

  No H/Q in entry =           7
  In of MODEL    9
    1    H    SER  26           H        SER  26   4.056  -0.453 -12.553
    2    HA   SER  26           HA       SER  26   6.916  -0.540 -12.946
    3    HB2  SER  26           HB2      SER  26   4.728  -0.600 -15.037
    4    HB3  SER  26           HB3      SER  26   6.405  -1.104 -15.243
    5    HG   SER  26           HG       SER  26   4.564  -2.705 -14.697

  No H/Q in entry =           5
  In of MODEL    9
    1    H    VAL  27           H        VAL  27   6.625   1.837 -11.952
    2    HA   VAL  27           HA       VAL  27   7.656   3.622 -13.804
    3    HB   VAL  27           HB       VAL  27   5.427   3.651 -14.827
    4   HG11  VAL  27          HG11      VAL  27   4.480   4.607 -12.129
    5   HG13  VAL  27          HG12      VAL  27   4.091   3.064 -12.890
    6   HG12  VAL  27          HG13      VAL  27   3.508   4.570 -13.599
    7   HG22  VAL  27          HG21      VAL  27   5.291   5.942 -15.112
    8   HG21  VAL  27          HG22      VAL  27   6.941   5.741 -14.522
    9   HG23  VAL  27          HG23      VAL  27   5.671   6.279 -13.423

  No H/Q in entry =           9
  In of MODEL    9
    1    H    SER  28           H        SER  28   5.684   3.232 -10.927
    2    HA   SER  28           HA       SER  28   7.336   5.260  -9.579
    3    HB2  SER  28           HB2      SER  28   4.354   4.822  -9.300
    4    HB3  SER  28           HB3      SER  28   5.307   5.818  -8.201
    5    HG   SER  28           HG       SER  28   5.934   7.032 -10.115

  No H/Q in entry =           5
  In of MODEL    9
    1    H    SER  29           H        SER  29   6.693   4.990  -7.033
    2    HA   SER  29           HA       SER  29   6.313   2.300  -6.171
    3    HB2  SER  29           HB2      SER  29   8.710   2.323  -5.065
    4    HB3  SER  29           HB3      SER  29   8.491   1.739  -6.714
    5    HG   SER  29           HG       SER  29   9.720   4.050  -5.789

  No H/Q in entry =           5
  In of MODEL    9
    1    H    HIS  30           H        HIS  30   5.501   2.343  -4.181
    2    HA   HIS  30           HA       HIS  30   6.246   4.529  -2.372
    3    HB2  HIS  30           HB2      HIS  30   3.390   3.669  -2.886
    4    HB3  HIS  30           HB3      HIS  30   3.918   4.917  -1.761
    5    HD1  HIS  30           HD1      HIS  30   3.486   7.163  -2.671
    6    HD2  HIS  30           HD2      HIS  30   4.465   4.458  -5.668
    7    HE1  HIS  30           HE1      HIS  30   3.417   8.479  -4.813
    8    HE2  HIS  30           HE2      HIS  30   4.100   6.843  -6.602

  No H/Q in entry =           8
  In of MODEL    9
    1    H    TYR  31           H        TYR  31   5.918   4.059  -0.135
    2    HA   TYR  31           HA       TYR  31   5.818   1.171   0.405
    3    HB2  TYR  31           HB2      TYR  31   7.470   3.359   1.411
    4    HB3  TYR  31           HB3      TYR  31   6.789   2.372   2.700
    5    HD1  TYR  31           HD1      TYR  31   8.712   1.255   3.474
    6    HD2  TYR  31           HD2      TYR  31   7.795   1.215  -0.680
    7    HE1  TYR  31           HE1      TYR  31  10.462  -0.434   3.110
    8    HE2  TYR  31           HE2      TYR  31   9.541  -0.476  -1.056
    9    HH   TYR  31           HH       TYR  31  11.880  -1.074   0.469

  No H/Q in entry =           9
  In of MODEL    9
    1    H    CYS  32           H        CYS  32   4.262   0.325   1.655
    2    HA   CYS  32           HA       CYS  32   2.059   1.948   2.448
    3    HB2  CYS  32           HB2      CYS  32   2.209  -0.621   1.782
    4    HB3  CYS  32           HB3      CYS  32   2.395  -0.816   3.521

  No H/Q in entry =           4
  In of MODEL    9
    1    H    THR  33           H        THR  33   1.305   2.386   4.532
    2    HA   THR  33           HA       THR  33   3.410   2.389   6.579
    3    HB   THR  33           HB       THR  33   2.375   4.282   7.546
    4    HG1  THR  33           HG1      THR  33   0.274   4.046   7.624
    5   HG23  THR  33          HG21      THR  33   2.238   5.921   5.841
    6   HG22  THR  33          HG22      THR  33   1.869   4.707   4.616
    7   HG21  THR  33          HG23      THR  33   3.470   4.758   5.353

  No H/Q in entry =           7
  In of MODEL    9
    1    H    GLY  34           H        GLY  34   1.331   0.250   5.779
    2    HA3  GLY  34           HA2      GLY  34  -0.103  -1.227   6.823
    3    HA2  GLY  34           HA3      GLY  34   1.030  -1.058   8.155

  No H/Q in entry =           3
  In of MODEL    9
    1    H    ARG  35           H        ARG  35  -1.417   1.122   6.741
    2    HA   ARG  35           HA       ARG  35  -2.915   1.043   9.235
    3    HB2  ARG  35           HB2      ARG  35  -1.072   2.929   9.150
    4    HB3  ARG  35           HB3      ARG  35  -2.273   3.754   8.166
    5    HG2  ARG  35           HG2      ARG  35  -3.891   3.212  10.108
    6    HG3  ARG  35           HG3      ARG  35  -2.415   2.956  11.041
    7    HD2  ARG  35           HD2      ARG  35  -1.839   5.311   9.858
    8    HD3  ARG  35           HD3      ARG  35  -3.592   5.446   9.990
    9    HE   ARG  35           HE       ARG  35  -1.687   5.567  12.123
   10   HH11  ARG  35          HH11      ARG  35  -4.978   4.736  11.312
   11   HH12  ARG  35          HH12      ARG  35  -5.571   4.994  12.919
   12   HH21  ARG  35          HH21      ARG  35  -2.465   5.906  14.237
   13   HH22  ARG  35          HH22      ARG  35  -4.144   5.658  14.579

  No H/Q in entry =          13
  In of MODEL    9
    1    H    SER  36           H        SER  36  -2.649   2.436   5.991
    2    HA   SER  36           HA       SER  36  -5.560   2.106   5.714
    3    HB2  SER  36           HB2      SER  36  -5.043   4.498   6.055
    4    HB3  SER  36           HB3      SER  36  -3.959   4.452   4.665
    5    HG   SER  36           HG       SER  36  -6.731   4.467   4.764

  No H/Q in entry =           5
  In of MODEL    9
    1    H    CYS  37           H        CYS  37  -6.310   1.844   3.515
    2    HA   CYS  37           HA       CYS  37  -4.548   0.173   1.986
    3    HB2  CYS  37           HB2      CYS  37  -7.270   0.302   2.310
    4    HB3  CYS  37           HB3      CYS  37  -7.058   0.989   0.704

  No H/Q in entry =           4
  In of MODEL    9
    1    H    GLU  38           H        GLU  38  -4.972   3.479   2.134
    2    HA   GLU  38           HA       GLU  38  -4.671   4.052  -0.675
    3    HB2  GLU  38           HB2      GLU  38  -4.481   5.817   1.770
    4    HB3  GLU  38           HB3      GLU  38  -4.373   6.404   0.117
    5    HG2  GLU  38           HG2      GLU  38  -6.617   5.807  -0.338
    6    HG3  GLU  38           HG3      GLU  38  -6.744   4.884   1.159

  No H/Q in entry =           6
  In of MODEL    9
    1    H    CYS  39           H        CYS  39  -2.836   5.133  -1.604
    2    HA   CYS  39           HA       CYS  39  -0.309   4.442  -0.258
    3    HB2  CYS  39           HB2      CYS  39  -1.130   4.310  -3.141
    4    HB3  CYS  39           HB3      CYS  39   0.567   4.505  -2.717

  No H/Q in entry =           4
  In of MODEL    9
    1    HA   PRO  40           HA       PRO  40   0.591   8.791  -0.063
    2    HB2  PRO  40           HB2      PRO  40   3.403   7.882  -0.410
    3    HB3  PRO  40           HB3      PRO  40   2.698   8.908   0.844
    4    HG2  PRO  40           HG2      PRO  40   3.353   6.379   1.364
    5    HG3  PRO  40           HG3      PRO  40   1.887   7.103   2.052
    6    HD2  PRO  40           HD2      PRO  40   2.171   5.190  -0.225
    7    HD3  PRO  40           HD3      PRO  40   0.912   5.282   1.024

  No H/Q in entry =           7
  In of MODEL    9
    1    H    SER  41           H        SER  41   2.114  10.367  -1.280
    2    HA   SER  41           HA       SER  41   1.967   9.705  -4.145
    3    HB2  SER  41           HB2      SER  41   0.522  11.573  -3.512
    4    HB3  SER  41           HB3      SER  41   1.893  12.410  -2.783
    5    HG   SER  41           HG       SER  41   1.726  11.680  -5.521

  No H/Q in entry =           5
  In of MODEL    9
    1    H    TYR  42           H        TYR  42   4.175   9.008  -2.380
    2    HA   TYR  42           HA       TYR  42   6.317   9.935  -4.019
    3    HB2  TYR  42           HB2      TYR  42   7.620  11.087  -2.328
    4    HB3  TYR  42           HB3      TYR  42   6.057  11.879  -2.498
    5    HD1  TYR  42           HD1      TYR  42   4.487  11.920  -0.685
    6    HD2  TYR  42           HD2      TYR  42   8.116   9.729  -0.331
    7    HE1  TYR  42           HE1      TYR  42   4.108  11.694   1.734
    8    HE2  TYR  42           HE2      TYR  42   7.748   9.496   2.088
    9    HH   TYR  42           HH       TYR  42   5.495  11.313   3.788

  No H/Q in entry =           9
  In of MODEL    9
    1    HA   PRO  43           HA       PRO  43   7.885   6.037  -2.657
    2    HB2  PRO  43           HB2      PRO  43  10.494   6.287  -3.318
    3    HB3  PRO  43           HB3      PRO  43   9.222   6.102  -4.531
    4    HG2  PRO  43           HG2      PRO  43  10.602   8.591  -3.600
    5    HG3  PRO  43           HG3      PRO  43  10.194   8.091  -5.251
    6    HD2  PRO  43           HD2      PRO  43   8.707   9.873  -3.844
    7    HD3  PRO  43           HD3      PRO  43   8.005   8.778  -5.052

  No H/Q in entry =           7
  In of MODEL    9
    1    H    GLY  44           H        GLY  44   9.002   5.055  -0.969
    2    HA3  GLY  44           HA2      GLY  44   9.357   6.544   1.380
    3    HA2  GLY  44           HA3      GLY  44   9.922   4.900   1.127

  No H/Q in entry =           3
  In of MODEL    9
    1    H    ASN  45           H        ASN  45  11.562   6.056   2.663
    2    HA   ASN  45           HA       ASN  45  13.707   6.734   2.997
    3    HB2  ASN  45           HB2      ASN  45  13.870   5.861   0.115
    4    HB3  ASN  45           HB3      ASN  45  15.276   6.447   0.999
    5   HD21  ASN  45          HD21      ASN  45  15.554   5.349   3.193
    6   HD22  ASN  45          HD22      ASN  45  15.370   3.631   3.202

  No H/Q in entry =           6
  In of MODEL    9
    1    H    GLY  46           H        GLY  46  12.856   8.892   3.343
    2    HA3  GLY  46           HA2      GLY  46  14.153  11.013   2.636
    3    HA2  GLY  46           HA3      GLY  46  13.318  10.753   1.111

  No H/Q in entry =           3
  In of MODEL   10
    1    H1   ALA   1           H3       ALA   1 -17.029 -10.207   4.607
    2    H2   ALA   1           H2       ALA   1 -15.400 -10.138   4.072
    3    H3   ALA   1           H1       ALA   1 -15.759 -10.634   5.675
    4    HA   ALA   1           HA       ALA   1 -16.283  -8.567   6.366
    5    HB2  ALA   1           HB1      ALA   1 -14.430  -7.177   5.776
    6    HB3  ALA   1           HB2      ALA   1 -14.200  -8.038   4.254
    7    HB1  ALA   1           HB3      ALA   1 -13.874  -8.850   5.785

  No H/Q in entry =           7
  In of MODEL   10
    1    H    MET   2           H        MET   2 -16.789  -6.291   5.904
    2    HA   MET   2           HA       MET   2 -18.486  -6.091   3.516
    3    HB2  MET   2           HB2      MET   2 -18.543  -4.669   6.173
    4    HB3  MET   2           HB3      MET   2 -19.485  -4.121   4.793
    5    HG2  MET   2           HG2      MET   2 -20.430  -6.498   4.737
    6    HG3  MET   2           HG3      MET   2 -19.752  -6.660   6.356
    7    HE3  MET   2           HE1      MET   2 -23.280  -6.789   6.639
    8    HE2  MET   2           HE2      MET   2 -22.619  -6.221   8.172
    9    HE1  MET   2           HE3      MET   2 -21.703  -7.359   7.185

  No H/Q in entry =           9
  In of MODEL   10
    1    H    ASP   3           H        ASP   3 -15.836  -4.574   5.220
    2    HA   ASP   3           HA       ASP   3 -15.460  -2.782   2.917
    3    HB2  ASP   3           HB2      ASP   3 -14.573  -1.068   4.497
    4    HB3  ASP   3           HB3      ASP   3 -16.285  -1.409   4.727

  No H/Q in entry =           4
  In of MODEL   10
    1    H    CYS   4           H        CYS   4 -13.775  -3.692   1.902
    2    HA   CYS   4           HA       CYS   4 -11.489  -4.612   3.496
    3    HB2  CYS   4           HB2      CYS   4 -12.424  -5.209   0.701
    4    HB3  CYS   4           HB3      CYS   4 -10.770  -5.554   1.194

  No H/Q in entry =           4
  In of MODEL   10
    1    H    THR   5           H        THR   5 -12.483  -2.165   1.258
    2    HA   THR   5           HA       THR   5 -11.441  -0.306   0.458
    3    HB   THR   5           HB       THR   5  -9.085  -0.867   2.236
    4    HG1  THR   5           HG1      THR   5 -11.643   0.056   3.024
    5   HG22  THR   5          HG21      THR   5 -10.503   1.724   1.700
    6   HG21  THR   5          HG22      THR   5  -9.123   1.152   0.762
    7   HG23  THR   5          HG23      THR   5  -8.943   1.481   2.486

  No H/Q in entry =           7
  In of MODEL   10
    1    H    THR   6           H        THR   6 -11.277  -2.002  -1.373
    2    HA   THR   6           HA       THR   6  -8.864  -3.239  -2.027
    3    HB   THR   6           HB       THR   6  -9.855  -2.756  -4.476
    4    HG1  THR   6           HG1      THR   6 -11.554  -1.521  -4.135
    5   HG22  THR   6          HG21      THR   6 -11.675  -4.594  -3.250
    6   HG21  THR   6          HG22      THR   6 -10.038  -4.861  -2.650
    7   HG23  THR   6          HG23      THR   6 -10.359  -4.902  -4.384

  No H/Q in entry =           7
  In of MODEL   10
    1    H    GLY   7           H        GLY   7  -6.986  -2.559  -2.862
    2    HA3  GLY   7           HA2      GLY   7  -6.646  -0.302  -4.511
    3    HA2  GLY   7           HA3      GLY   7  -6.272   0.148  -2.854

  No H/Q in entry =           3
  In of MODEL   10
    1    HA   PRO   8           HA       PRO   8  -2.544  -1.798  -5.049
    2    HB2  PRO   8           HB2      PRO   8  -0.877   0.341  -4.660
    3    HB3  PRO   8           HB3      PRO   8  -1.837   0.093  -6.121
    4    HG2  PRO   8           HG2      PRO   8  -2.396   1.841  -3.761
    5    HG3  PRO   8           HG3      PRO   8  -2.632   2.177  -5.486
    6    HD2  PRO   8           HD2      PRO   8  -4.675   1.488  -3.868
    7    HD3  PRO   8           HD3      PRO   8  -4.616   0.993  -5.573

  No H/Q in entry =           7
  In of MODEL   10
    1    H    CYS   9           H        CYS   9  -3.031   0.033  -2.089
    2    HA   CYS   9           HA       CYS   9  -0.704  -1.070  -0.787
    3    HB2  CYS   9           HB2      CYS   9  -2.435   1.108  -0.322
    4    HB3  CYS   9           HB3      CYS   9  -2.623   0.034   1.059

  No H/Q in entry =           4
  In of MODEL   10
    1    H    CYS  10           H        CYS  10  -4.128  -1.734  -0.970
    2    HA   CYS  10           HA       CYS  10  -4.280  -3.537   1.216
    3    HB2  CYS  10           HB2      CYS  10  -6.064  -2.407  -0.637
    4    HB3  CYS  10           HB3      CYS  10  -6.174  -4.144  -0.886

  No H/Q in entry =           4
  In of MODEL   10
    1    H    ARG  11           H        ARG  11  -4.070  -5.744   1.302
    2    HA   ARG  11           HA       ARG  11  -2.694  -6.973  -0.972
    3    HB2  ARG  11           HB2      ARG  11  -2.062  -6.999   1.670
    4    HB3  ARG  11           HB3      ARG  11  -2.970  -8.499   1.542
    5    HG2  ARG  11           HG2      ARG  11  -1.361  -8.758  -0.592
    6    HG3  ARG  11           HG3      ARG  11  -0.329  -7.782   0.455
    7    HD2  ARG  11           HD2      ARG  11  -1.149  -9.573   2.249
    8    HD3  ARG  11           HD3      ARG  11  -1.308 -10.560   0.797
    9    HE   ARG  11           HE       ARG  11   0.977 -10.645   0.638
   10   HH11  ARG  11          HH11      ARG  11   0.085  -8.152   2.912
   11   HH12  ARG  11          HH12      ARG  11   1.708  -7.894   3.457
   12   HH21  ARG  11          HH21      ARG  11   3.112 -10.307   1.353
   13   HH22  ARG  11          HH22      ARG  11   3.427  -9.117   2.572

  No H/Q in entry =          13
  In of MODEL   10
    1    H    GLN  12           H        GLN  12  -4.907  -8.249   1.511
    2    HA   GLN  12           HA       GLN  12  -6.367  -9.632  -0.644
    3    HB2  GLN  12           HB2      GLN  12  -4.992 -10.808   1.422
    4    HB3  GLN  12           HB3      GLN  12  -6.633 -10.760   2.052
    5    HG2  GLN  12           HG2      GLN  12  -7.173 -11.722  -0.362
    6    HG3  GLN  12           HG3      GLN  12  -5.510 -12.289  -0.220
    7   HE21  GLN  12          HE21      GLN  12  -4.988 -13.499   1.766
    8   HE22  GLN  12          HE22      GLN  12  -6.193 -14.548   2.423

  No H/Q in entry =           8
  In of MODEL   10
    1    H    CYS  13           H        CYS  13  -6.567  -7.561   2.106
    2    HA   CYS  13           HA       CYS  13  -9.122  -6.628   1.531
    3    HB2  CYS  13           HB2      CYS  13  -9.957  -8.800   2.224
    4    HB3  CYS  13           HB3      CYS  13  -9.071  -8.693   3.740

  No H/Q in entry =           4
  In of MODEL   10
    1    H    LYS  14           H        LYS  14  -6.567  -7.130   3.855
    2    HA   LYS  14           HA       LYS  14  -7.324  -4.618   5.190
    3    HB2  LYS  14           HB2      LYS  14  -7.001  -6.986   6.411
    4    HB3  LYS  14           HB3      LYS  14  -5.333  -6.431   6.441
    5    HG2  LYS  14           HG2      LYS  14  -6.193  -4.297   7.481
    6    HG3  LYS  14           HG3      LYS  14  -7.740  -5.124   7.672
    7    HD2  LYS  14           HD2      LYS  14  -6.899  -6.617   9.225
    8    HD3  LYS  14           HD3      LYS  14  -5.237  -6.417   8.667
    9    HE2  LYS  14           HE2      LYS  14  -6.520  -3.998   9.754
   10    HE3  LYS  14           HE3      LYS  14  -6.229  -5.293  10.916
   11    HZ3  LYS  14           HZ1      LYS  14  -3.972  -5.138  10.662
   12    HZ2  LYS  14           HZ2      LYS  14  -4.410  -3.519  10.448
   13    HZ1  LYS  14           HZ3      LYS  14  -4.063  -4.484   9.103

  No H/Q in entry =          13
  In of MODEL   10
    1    H    LEU  15           H        LEU  15  -5.829  -2.999   5.393
    2    HA   LEU  15           HA       LEU  15  -3.971  -2.558   3.449
    3    HB2  LEU  15           HB2      LEU  15  -2.823  -1.040   5.241
    4    HB3  LEU  15           HB3      LEU  15  -4.407  -0.646   4.613
    5    HG   LEU  15           HG       LEU  15  -3.973  -0.415   7.139
    6   HD11  LEU  15          HD11      LEU  15  -6.250  -0.873   5.641
    7   HD13  LEU  15          HD12      LEU  15  -6.177  -0.263   7.294
    8   HD12  LEU  15          HD13      LEU  15  -6.395  -1.988   7.001
    9   HD22  LEU  15          HD21      LEU  15  -2.943  -2.582   7.511
   10   HD21  LEU  15          HD22      LEU  15  -4.419  -3.394   6.990
   11   HD23  LEU  15          HD23      LEU  15  -4.420  -2.422   8.460

  No H/Q in entry =          11
  In of MODEL   10
    1    H    LYS  16           H        LYS  16  -1.981  -3.202   2.962
    2    HA   LYS  16           HA       LYS  16  -0.796  -5.411   4.150
    3    HB2  LYS  16           HB2      LYS  16   0.127  -3.312   2.247
    4    HB3  LYS  16           HB3      LYS  16   1.348  -4.347   2.975
    5    HG2  LYS  16           HG2      LYS  16   0.202  -6.320   2.122
    6    HG3  LYS  16           HG3      LYS  16  -1.048  -5.294   1.414
    7    HD2  LYS  16           HD2      LYS  16   1.198  -4.175   0.378
    8    HD3  LYS  16           HD3      LYS  16   1.683  -5.868   0.487
    9    HE2  LYS  16           HE2      LYS  16  -0.799  -6.122  -0.557
   10    HE3  LYS  16           HE3      LYS  16  -0.316  -4.572  -1.244
   11    HZ3  LYS  16           HZ1      LYS  16   1.314  -5.522  -2.482
   12    HZ2  LYS  16           HZ2      LYS  16   0.261  -6.844  -2.409
   13    HZ1  LYS  16           HZ3      LYS  16   1.602  -6.774  -1.380

  No H/Q in entry =          13
  In of MODEL   10
    1    HA   PRO  17           HA       PRO  17   1.443  -4.096   7.701
    2    HB2  PRO  17           HB2      PRO  17   3.952  -5.142   7.290
    3    HB3  PRO  17           HB3      PRO  17   2.563  -6.081   7.846
    4    HG2  PRO  17           HG2      PRO  17   3.701  -5.829   5.092
    5    HG3  PRO  17           HG3      PRO  17   3.093  -7.272   5.926
    6    HD2  PRO  17           HD2      PRO  17   1.624  -5.984   4.081
    7    HD3  PRO  17           HD3      PRO  17   0.879  -6.732   5.509

  No H/Q in entry =           7
  In of MODEL   10
    1    H    ALA  18           H        ALA  18   2.207  -2.149   8.208
    2    HA   ALA  18           HA       ALA  18   3.076  -0.222   6.477
    3    HB1  ALA  18           HB1      ALA  18   3.942  -0.482   9.354
    4    HB3  ALA  18           HB2      ALA  18   2.404   0.187   8.810
    5    HB2  ALA  18           HB3      ALA  18   3.913   0.997   8.393

  No H/Q in entry =           5
  In of MODEL   10
    1    H    GLY  19           H        GLY  19   5.087   0.653   5.879
    2    HA3  GLY  19           HA2      GLY  19   7.323   0.631   5.333
    3    HA2  GLY  19           HA3      GLY  19   7.570  -0.513   6.644

  No H/Q in entry =           3
  In of MODEL   10
    1    H    THR  20           H        THR  20   5.258  -1.235   4.168
    2    HA   THR  20           HA       THR  20   7.148  -3.167   2.991
    3    HB   THR  20           HB       THR  20   4.179  -3.528   3.451
    4    HG1  THR  20           HG1      THR  20   6.448  -4.665   4.707
    5   HG21  THR  20          HG21      THR  20   5.506  -4.711   1.456
    6   HG23  THR  20          HG22      THR  20   4.206  -5.491   2.357
    7   HG22  THR  20          HG23      THR  20   5.888  -5.826   2.768

  No H/Q in entry =           7
  In of MODEL   10
    1    H    THR  21           H        THR  21   7.511  -2.873   0.896
    2    HA   THR  21           HA       THR  21   6.324  -0.863  -0.630
    3    HB   THR  21           HB       THR  21   7.313  -2.960  -2.338
    4    HG1  THR  21           HG1      THR  21   8.699  -3.826  -1.033
    5   HG22  THR  21          HG21      THR  21   9.298  -1.152  -2.288
    6   HG21  THR  21          HG22      THR  21   7.957  -0.170  -1.695
    7   HG23  THR  21          HG23      THR  21   7.832  -0.984  -3.255

  No H/Q in entry =           7
  In of MODEL   10
    1    H    CYS  22           H        CYS  22   4.319  -0.733  -1.345
    2    HA   CYS  22           HA       CYS  22   2.828  -3.197  -1.900
    3    HB2  CYS  22           HB2      CYS  22   0.828  -1.687  -1.860
    4    HB3  CYS  22           HB3      CYS  22   1.712  -1.752  -0.339

  No H/Q in entry =           4
  In of MODEL   10
    1    H    TRP  23           H        TRP  23   3.653  -0.062  -3.320
    2    HA   TRP  23           HA       TRP  23   2.454  -0.817  -5.855
    3    HB2  TRP  23           HB2      TRP  23   2.635   1.578  -4.625
    4    HB3  TRP  23           HB3      TRP  23   4.054   1.665  -5.662
    5    HD1  TRP  23           HD1      TRP  23   1.888  -0.305  -7.681
    6    HE1  TRP  23           HE1      TRP  23   0.498   1.114  -9.318
    7    HE3  TRP  23           HE3      TRP  23   2.514   4.277  -5.516
    8    HZ2  TRP  23           HZ2      TRP  23  -0.237   3.817  -9.644
    9    HZ3  TRP  23           HZ3      TRP  23   1.438   6.230  -6.554
   10    HH2  TRP  23           HH2      TRP  23   0.090   6.003  -8.576

  No H/Q in entry =          10
  In of MODEL   10
    1    H    LYS  24           H        LYS  24   5.596   0.628  -5.072
    2    HA   LYS  24           HA       LYS  24   7.678   0.319  -5.932
    3    HB2  LYS  24           HB2      LYS  24   7.221  -1.944  -4.888
    4    HB3  LYS  24           HB3      LYS  24   6.801  -2.510  -6.499
    5    HG2  LYS  24           HG2      LYS  24   9.203  -1.426  -7.010
    6    HG3  LYS  24           HG3      LYS  24   9.434  -1.904  -5.327
    7    HD2  LYS  24           HD2      LYS  24   8.561  -4.181  -5.980
    8    HD3  LYS  24           HD3      LYS  24   8.674  -3.651  -7.660
    9    HE2  LYS  24           HE2      LYS  24  11.122  -3.022  -6.977
   10    HE3  LYS  24           HE3      LYS  24  10.846  -4.187  -5.683
   11    HZ2  LYS  24           HZ1      LYS  24  10.971  -4.633  -8.586
   12    HZ1  LYS  24           HZ2      LYS  24  10.051  -5.681  -7.629
   13    HZ3  LYS  24           HZ3      LYS  24  11.707  -5.503  -7.334

  No H/Q in entry =          13
  In of MODEL   10
    1    H    THR  25           H        THR  25   5.518   1.169  -7.717
    2    HA   THR  25           HA       THR  25   5.651  -0.056 -10.229
    3    HB   THR  25           HB       THR  25   5.262   2.905  -9.807
    4    HG1  THR  25           HG1      THR  25   3.280   0.902  -9.541
    5   HG23  THR  25          HG21      THR  25   3.852   2.863 -11.671
    6   HG22  THR  25          HG22      THR  25   3.785   1.100 -11.686
    7   HG21  THR  25          HG23      THR  25   5.273   1.930 -12.141

  No H/Q in entry =           7
  In of MODEL   10
    1    H    SER  26           H        SER  26   7.036   0.072 -11.911
    2    HA   SER  26           HA       SER  26   9.693   0.715 -11.573
    3    HB2  SER  26           HB2      SER  26   9.114  -0.671 -13.410
    4    HB3  SER  26           HB3      SER  26   8.013   0.537 -14.072
    5    HG   SER  26           HG       SER  26  10.842   0.615 -13.989

  No H/Q in entry =           5
  In of MODEL   10
    1    H    VAL  27           H        VAL  27   7.043   2.816 -12.345
    2    HA   VAL  27           HA       VAL  27   8.855   5.014 -13.014
    3    HB   VAL  27           HB       VAL  27   6.904   4.678 -14.471
    4   HG12  VAL  27          HG11      VAL  27   4.647   5.294 -13.562
    5   HG11  VAL  27          HG12      VAL  27   5.345   5.191 -11.946
    6   HG13  VAL  27          HG13      VAL  27   5.294   3.761 -12.978
    7   HG23  VAL  27          HG21      VAL  27   6.517   7.231 -12.930
    8   HG22  VAL  27          HG22      VAL  27   6.290   6.945 -14.655
    9   HG21  VAL  27          HG23      VAL  27   7.915   6.956 -13.970

  No H/Q in entry =           9
  In of MODEL   10
    1    H    SER  28           H        SER  28   6.914   3.819 -10.420
    2    HA   SER  28           HA       SER  28   7.852   5.921  -8.691
    3    HB2  SER  28           HB2      SER  28   5.682   6.727  -9.889
    4    HB3  SER  28           HB3      SER  28   4.866   5.610  -8.794
    5    HG   SER  28           HG       SER  28   6.011   8.046  -8.285

  No H/Q in entry =           5
  In of MODEL   10
    1    H    SER  29           H        SER  29   8.641   4.657  -7.125
    2    HA   SER  29           HA       SER  29   7.083   2.341  -6.232
    3    HB2  SER  29           HB2      SER  29   9.923   3.127  -5.526
    4    HB3  SER  29           HB3      SER  29   9.126   1.609  -5.109
    5    HG   SER  29           HG       SER  29   8.888   1.315  -7.444

  No H/Q in entry =           5
  In of MODEL   10
    1    H    HIS  30           H        HIS  30   5.950   2.394  -4.414
    2    HA   HIS  30           HA       HIS  30   6.570   4.478  -2.427
    3    HB2  HIS  30           HB2      HIS  30   3.819   3.396  -3.059
    4    HB3  HIS  30           HB3      HIS  30   4.213   4.734  -1.983
    5    HD1  HIS  30           HD1      HIS  30   3.266   6.733  -3.108
    6    HD2  HIS  30           HD2      HIS  30   5.322   4.282  -5.758
    7    HE1  HIS  30           HE1      HIS  30   3.279   7.969  -5.298
    8    HE2  HIS  30           HE2      HIS  30   4.404   6.403  -6.914

  No H/Q in entry =           8
  In of MODEL   10
    1    H    TYR  31           H        TYR  31   4.922   3.764  -0.408
    2    HA   TYR  31           HA       TYR  31   5.300   0.939   0.176
    3    HB2  TYR  31           HB2      TYR  31   6.836   3.140   1.450
    4    HB3  TYR  31           HB3      TYR  31   6.223   1.881   2.517
    5    HD1  TYR  31           HD1      TYR  31   8.465   2.588  -0.317
    6    HD2  TYR  31           HD2      TYR  31   7.153  -0.329   2.488
    7    HE1  TYR  31           HE1      TYR  31  10.370   1.156  -0.924
    8    HE2  TYR  31           HE2      TYR  31   9.054  -1.769   1.890
    9    HH   TYR  31           HH       TYR  31  10.929  -1.297  -0.845

  No H/Q in entry =           9
  In of MODEL   10
    1    H    CYS  32           H        CYS  32   4.073   0.211   2.004
    2    HA   CYS  32           HA       CYS  32   1.715   1.860   2.458
    3    HB2  CYS  32           HB2      CYS  32   1.993  -0.815   1.977
    4    HB3  CYS  32           HB3      CYS  32   1.840  -0.794   3.730

  No H/Q in entry =           4
  In of MODEL   10
    1    H    THR  33           H        THR  33   0.947   2.417   4.506
    2    HA   THR  33           HA       THR  33   3.005   2.394   6.606
    3    HB   THR  33           HB       THR  33   2.096   4.412   7.445
    4    HG1  THR  33           HG1      THR  33   0.119   5.247   6.643
    5   HG21  THR  33          HG21      THR  33   3.344   4.790   5.384
    6   HG23  THR  33          HG22      THR  33   2.038   5.959   5.582
    7   HG22  THR  33          HG23      THR  33   1.856   4.615   4.453

  No H/Q in entry =           7
  In of MODEL   10
    1    H    GLY  34           H        GLY  34   0.949   0.289   5.944
    2    HA3  GLY  34           HA2      GLY  34  -0.536  -1.083   7.043
    3    HA2  GLY  34           HA3      GLY  34   0.398  -0.658   8.468

  No H/Q in entry =           3
  In of MODEL   10
    1    H    ARG  35           H        ARG  35  -1.342   1.780   6.696
    2    HA   ARG  35           HA       ARG  35  -3.274   1.940   8.912
    3    HB2  ARG  35           HB2      ARG  35  -1.500   3.833   8.411
    4    HB3  ARG  35           HB3      ARG  35  -2.673   4.301   7.188
    5    HG2  ARG  35           HG2      ARG  35  -3.449   5.562   8.894
    6    HG3  ARG  35           HG3      ARG  35  -4.329   4.076   9.258
    7    HD2  ARG  35           HD2      ARG  35  -2.082   3.564  10.600
    8    HD3  ARG  35           HD3      ARG  35  -2.034   5.325  10.659
    9    HE   ARG  35           HE       ARG  35  -4.587   4.608  11.411
   10   HH11  ARG  35          HH11      ARG  35  -1.346   4.026  12.567
   11   HH12  ARG  35          HH12      ARG  35  -1.829   3.878  14.223
   12   HH21  ARG  35          HH21      ARG  35  -5.225   4.413  13.589
   13   HH22  ARG  35          HH22      ARG  35  -4.031   4.097  14.804

  No H/Q in entry =          13
  In of MODEL   10
    1    H    SER  36           H        SER  36  -2.975   3.039   5.547
    2    HA   SER  36           HA       SER  36  -5.805   2.330   5.151
    3    HB2  SER  36           HB2      SER  36  -4.402   4.089   3.201
    4    HB3  SER  36           HB3      SER  36  -6.070   4.145   3.771
    5    HG   SER  36           HG       SER  36  -5.301   5.771   4.888

  No H/Q in entry =           5
  In of MODEL   10
    1    H    CYS  37           H        CYS  37  -6.297   1.783   2.775
    2    HA   CYS  37           HA       CYS  37  -4.340  -0.230   1.936
    3    HB2  CYS  37           HB2      CYS  37  -7.296   0.027   1.696
    4    HB3  CYS  37           HB3      CYS  37  -6.444  -0.846   0.427

  No H/Q in entry =           4
  In of MODEL   10
    1    H    GLU  38           H        GLU  38  -4.495   2.798   1.328
    2    HA   GLU  38           HA       GLU  38  -4.222   2.528  -1.594
    3    HB2  GLU  38           HB2      GLU  38  -6.164   3.951  -0.695
    4    HB3  GLU  38           HB3      GLU  38  -4.930   5.101  -0.199
    5    HG2  GLU  38           HG2      GLU  38  -5.058   4.123  -3.021
    6    HG3  GLU  38           HG3      GLU  38  -6.110   5.424  -2.463

  No H/Q in entry =           6
  In of MODEL   10
    1    H    CYS  39           H        CYS  39  -2.084   2.379  -1.923
    2    HA   CYS  39           HA       CYS  39  -0.027   3.322  -0.358
    3    HB2  CYS  39           HB2      CYS  39   0.038   3.134  -3.376
    4    HB3  CYS  39           HB3      CYS  39   1.417   3.052  -2.285

  No H/Q in entry =           4
  In of MODEL   10
    1    HA   PRO  40           HA       PRO  40  -0.022   7.739  -0.561
    2    HB2  PRO  40           HB2      PRO  40   2.935   7.445  -0.782
    3    HB3  PRO  40           HB3      PRO  40   1.981   8.406   0.353
    4    HG2  PRO  40           HG2      PRO  40   3.133   6.137   1.133
    5    HG3  PRO  40           HG3      PRO  40   1.517   6.585   1.713
    6    HD2  PRO  40           HD2      PRO  40   2.304   4.573  -0.347
    7    HD3  PRO  40           HD3      PRO  40   0.989   4.517   0.843

  No H/Q in entry =           7
  In of MODEL   10
    1    H    SER  41           H        SER  41   1.140   9.530  -1.869
    2    HA   SER  41           HA       SER  41   1.329   8.635  -4.670
    3    HB2  SER  41           HB2      SER  41   0.320  11.254  -3.538
    4    HB3  SER  41           HB3      SER  41   0.564  10.949  -5.258
    5    HG   SER  41           HG       SER  41  -1.566  10.520  -4.784

  No H/Q in entry =           5
  In of MODEL   10
    1    H    TYR  42           H        TYR  42   3.541   8.690  -2.851
    2    HA   TYR  42           HA       TYR  42   5.296  10.438  -4.373
    3    HB2  TYR  42           HB2      TYR  42   6.323  11.443  -2.414
    4    HB3  TYR  42           HB3      TYR  42   4.598  11.795  -2.420
    5    HD1  TYR  42           HD1      TYR  42   7.251   9.807  -0.814
    6    HD2  TYR  42           HD2      TYR  42   3.160  10.970  -0.691
    7    HE1  TYR  42           HE1      TYR  42   7.066   8.891   1.460
    8    HE2  TYR  42           HE2      TYR  42   2.964  10.058   1.585
    9    HH   TYR  42           HH       TYR  42   4.354   9.491   3.468

  No H/Q in entry =           9
  In of MODEL   10
    1    HA   PRO  43           HA       PRO  43   7.947   6.923  -4.025
    2    HB2  PRO  43           HB2      PRO  43  10.357   8.063  -4.499
    3    HB3  PRO  43           HB3      PRO  43   9.146   7.834  -5.766
    4    HG2  PRO  43           HG2      PRO  43   9.793  10.296  -4.188
    5    HG3  PRO  43           HG3      PRO  43   9.479  10.132  -5.926
    6    HD2  PRO  43           HD2      PRO  43   7.602  11.005  -4.175
    7    HD3  PRO  43           HD3      PRO  43   7.194  10.083  -5.636

  No H/Q in entry =           7
  In of MODEL   10
    1    H    GLY  44           H        GLY  44   8.076   6.105  -2.000
    2    HA3  GLY  44           HA2      GLY  44   9.276   7.601   0.162
    3    HA2  GLY  44           HA3      GLY  44   8.611   5.978   0.257

  No H/Q in entry =           3
  In of MODEL   10
    1    H    ASN  45           H        ASN  45  11.308   7.517   0.856
    2    HA   ASN  45           HA       ASN  45  12.946   5.195   0.607
    3    HB2  ASN  45           HB2      ASN  45  12.941   6.392  -1.720
    4    HB3  ASN  45           HB3      ASN  45  14.021   7.536  -0.929
    5   HD21  ASN  45          HD21      ASN  45  13.981   4.927  -2.834
    6   HD22  ASN  45          HD22      ASN  45  15.502   4.216  -2.427

  No H/Q in entry =           6
  In of MODEL   10
    1    H    GLY  46           H        GLY  46  12.897   8.715   1.047
    2    HA3  GLY  46           HA2      GLY  46  13.869   8.639   3.670
    3    HA2  GLY  46           HA3      GLY  46  15.241   8.894   2.602

  No H/Q in entry =           3
  In of MODEL   11
    1    H1   ALA   1           H1       ALA   1 -20.153  -3.791   3.279
    2    H2   ALA   1           H3       ALA   1 -21.164  -2.453   3.633
    3    H3   ALA   1           H2       ALA   1 -19.461  -2.302   3.776
    4    HA   ALA   1           HA       ALA   1 -20.360  -2.497   5.910
    5    HB1  ALA   1           HB1      ALA   1 -22.464  -3.435   5.644
    6    HB2  ALA   1           HB2      ALA   1 -21.556  -4.727   6.429
    7    HB3  ALA   1           HB3      ALA   1 -21.852  -4.787   4.691

  No H/Q in entry =           7
  In of MODEL   11
    1    H    MET   2           H        MET   2 -19.917  -5.789   4.645
    2    HA   MET   2           HA       MET   2 -17.554  -6.055   6.354
    3    HB2  MET   2           HB2      MET   2 -18.936  -8.266   4.842
    4    HB3  MET   2           HB3      MET   2 -17.852  -8.409   6.219
    5    HG2  MET   2           HG2      MET   2 -19.476  -7.603   7.716
    6    HG3  MET   2           HG3      MET   2 -20.504  -7.022   6.407
    7    HE1  MET   2           HE1      MET   2 -21.974  -8.288   5.014
    8    HE3  MET   2           HE2      MET   2 -22.863  -8.364   6.536
    9    HE2  MET   2           HE3      MET   2 -22.727  -9.800   5.521

  No H/Q in entry =           9
  In of MODEL   11
    1    H    ASP   3           H        ASP   3 -17.350  -4.531   3.951
    2    HA   ASP   3           HA       ASP   3 -16.187  -6.098   1.872
    3    HB2  ASP   3           HB2      ASP   3 -17.221  -3.715   1.758
    4    HB3  ASP   3           HB3      ASP   3 -15.623  -3.172   2.262

  No H/Q in entry =           4
  In of MODEL   11
    1    H    CYS   4           H        CYS   4 -14.005  -6.267   1.274
    2    HA   CYS   4           HA       CYS   4 -12.160  -6.111   3.536
    3    HB2  CYS   4           HB2      CYS   4 -12.242  -7.674   0.989
    4    HB3  CYS   4           HB3      CYS   4 -10.682  -7.380   1.749

  No H/Q in entry =           4
  In of MODEL   11
    1    H    THR   5           H        THR   5 -10.139  -5.104   3.402
    2    HA   THR   5           HA       THR   5 -10.055  -2.649   2.058
    3    HB   THR   5           HB       THR   5  -7.388  -3.476   2.624
    4    HG1  THR   5           HG1      THR   5  -7.572  -4.744   4.264
    5   HG21  THR   5          HG21      THR   5  -9.233  -1.436   3.455
    6   HG23  THR   5          HG22      THR   5  -7.470  -1.412   3.407
    7   HG22  THR   5          HG23      THR   5  -8.306  -2.049   4.824

  No H/Q in entry =           7
  In of MODEL   11
    1    H    THR   6           H        THR   6  -9.583  -2.136   0.025
    2    HA   THR   6           HA       THR   6  -7.886  -3.952  -1.540
    3    HB   THR   6           HB       THR   6  -9.528  -3.124  -3.482
    4    HG1  THR   6           HG1      THR   6 -10.832  -1.986  -1.906
    5   HG22  THR   6          HG21      THR   6 -10.941  -5.251  -2.220
    6   HG21  THR   6          HG22      THR   6  -9.206  -5.522  -2.058
    7   HG23  THR   6          HG23      THR   6  -9.917  -5.287  -3.655

  No H/Q in entry =           7
  In of MODEL   11
    1    H    GLY   7           H        GLY   7  -6.761  -2.973  -3.294
    2    HA3  GLY   7           HA2      GLY   7  -6.766  -0.552  -4.380
    3    HA2  GLY   7           HA3      GLY   7  -6.160  -0.167  -2.776

  No H/Q in entry =           3
  In of MODEL   11
    1    HA   PRO   8           HA       PRO   8  -2.474  -1.190  -5.340
    2    HB2  PRO   8           HB2      PRO   8  -1.168   1.037  -4.031
    3    HB3  PRO   8           HB3      PRO   8  -1.563   0.840  -5.738
    4    HG2  PRO   8           HG2      PRO   8  -2.766   2.667  -4.093
    5    HG3  PRO   8           HG3      PRO   8  -3.525   1.990  -5.545
    6    HD2  PRO   8           HD2      PRO   8  -3.938   1.268  -2.674
    7    HD3  PRO   8           HD3      PRO   8  -5.122   1.373  -3.994

  No H/Q in entry =           7
  In of MODEL   11
    1    H    CYS   9           H        CYS   9  -2.924  -0.537  -1.938
    2    HA   CYS   9           HA       CYS   9  -0.495  -2.071  -1.309
    3    HB2  CYS   9           HB2      CYS   9  -0.662   0.220  -0.346
    4    HB3  CYS   9           HB3      CYS   9  -2.108  -0.284   0.520

  No H/Q in entry =           4
  In of MODEL   11
    1    H    CYS  10           H        CYS  10  -3.946  -2.065  -1.087
    2    HA   CYS  10           HA       CYS  10  -3.932  -4.303   0.795
    3    HB2  CYS  10           HB2      CYS  10  -6.308  -2.859  -0.389
    4    HB3  CYS  10           HB3      CYS  10  -6.322  -3.986   0.963

  No H/Q in entry =           4
  In of MODEL   11
    1    H    ARG  11           H        ARG  11  -3.964  -6.317   0.088
    2    HA   ARG  11           HA       ARG  11  -5.503  -7.043  -2.260
    3    HB2  ARG  11           HB2      ARG  11  -3.164  -6.384  -3.029
    4    HB3  ARG  11           HB3      ARG  11  -2.587  -7.802  -2.164
    5    HG2  ARG  11           HG2      ARG  11  -4.517  -8.937  -3.636
    6    HG3  ARG  11           HG3      ARG  11  -4.075  -7.601  -4.700
    7    HD2  ARG  11           HD2      ARG  11  -1.827  -9.097  -3.521
    8    HD3  ARG  11           HD3      ARG  11  -2.821  -9.994  -4.668
    9    HE   ARG  11           HE       ARG  11  -1.001  -7.862  -5.257
   10   HH11  ARG  11          HH11      ARG  11  -3.902  -9.487  -6.320
   11   HH12  ARG  11          HH12      ARG  11  -3.706  -9.021  -7.976
   12   HH21  ARG  11          HH21      ARG  11  -0.742  -7.248  -7.435
   13   HH22  ARG  11          HH22      ARG  11  -1.912  -7.750  -8.609

  No H/Q in entry =          13
  In of MODEL   11
    1    H    GLN  12           H        GLN  12  -5.332  -7.577   0.703
    2    HA   GLN  12           HA       GLN  12  -5.749 -10.442   0.524
    3    HB2  GLN  12           HB2      GLN  12  -3.511  -9.179   2.039
    4    HB3  GLN  12           HB3      GLN  12  -4.280 -10.618   2.690
    5    HG2  GLN  12           HG2      GLN  12  -3.827 -11.351   0.105
    6    HG3  GLN  12           HG3      GLN  12  -2.437 -10.320   0.442
    7   HE21  GLN  12          HE21      GLN  12  -3.858 -13.365   0.882
    8   HE22  GLN  12          HE22      GLN  12  -2.670 -14.037   1.941

  No H/Q in entry =           8
  In of MODEL   11
    1    H    CYS  13           H        CYS  13  -7.080  -7.779   1.263
    2    HA   CYS  13           HA       CYS  13  -8.870  -7.216   2.557
    3    HB2  CYS  13           HB2      CYS  13  -9.335  -9.701   2.626
    4    HB3  CYS  13           HB3      CYS  13  -8.428  -9.755   4.134

  No H/Q in entry =           4
  In of MODEL   11
    1    H    LYS  14           H        LYS  14  -5.871  -6.943   3.247
    2    HA   LYS  14           HA       LYS  14  -6.289  -5.424   5.629
    3    HB2  LYS  14           HB2      LYS  14  -5.987  -7.858   6.403
    4    HB3  LYS  14           HB3      LYS  14  -4.316  -7.685   5.886
    5    HG2  LYS  14           HG2      LYS  14  -3.973  -5.883   7.454
    6    HG3  LYS  14           HG3      LYS  14  -5.675  -5.928   7.918
    7    HD2  LYS  14           HD2      LYS  14  -3.822  -8.283   8.216
    8    HD3  LYS  14           HD3      LYS  14  -4.076  -7.089   9.490
    9    HE2  LYS  14           HE2      LYS  14  -5.710  -8.497  10.135
   10    HE3  LYS  14           HE3      LYS  14  -6.633  -7.692   8.867
   11    HZ3  LYS  14           HZ1      LYS  14  -6.937  -9.803   8.187
   12    HZ2  LYS  14           HZ2      LYS  14  -5.537 -10.383   8.939
   13    HZ1  LYS  14           HZ3      LYS  14  -5.428  -9.584   7.453

  No H/Q in entry =          13
  In of MODEL   11
    1    H    LEU  15           H        LEU  15  -5.311  -3.645   4.899
    2    HA   LEU  15           HA       LEU  15  -3.455  -3.252   3.000
    3    HB2  LEU  15           HB2      LEU  15  -2.550  -1.380   4.670
    4    HB3  LEU  15           HB3      LEU  15  -4.082  -1.242   3.830
    5    HG   LEU  15           HG       LEU  15  -4.192  -2.568   6.468
    6   HD13  LEU  15          HD11      LEU  15  -2.912  -0.991   7.440
    7   HD12  LEU  15          HD12      LEU  15  -4.372  -0.012   7.294
    8   HD11  LEU  15          HD13      LEU  15  -3.088   0.135   6.094
    9   HD23  LEU  15          HD21      LEU  15  -5.879  -0.271   5.625
   10   HD22  LEU  15          HD22      LEU  15  -6.315  -1.733   6.510
   11   HD21  LEU  15          HD23      LEU  15  -6.060  -1.801   4.766

  No H/Q in entry =          11
  In of MODEL   11
    1    H    LYS  16           H        LYS  16  -1.461  -3.903   2.585
    2    HA   LYS  16           HA       LYS  16   0.001  -5.671   4.036
    3    HB2  LYS  16           HB2      LYS  16   0.678  -3.704   1.925
    4    HB3  LYS  16           HB3      LYS  16   2.031  -4.387   2.815
    5    HG2  LYS  16           HG2      LYS  16   1.576  -6.552   2.086
    6    HG3  LYS  16           HG3      LYS  16  -0.075  -6.144   1.614
    7    HD2  LYS  16           HD2      LYS  16   1.350  -4.447   0.046
    8    HD3  LYS  16           HD3      LYS  16   2.451  -5.822   0.143
    9    HE2  LYS  16           HE2      LYS  16   0.437  -7.264  -0.456
   10    HE3  LYS  16           HE3      LYS  16  -0.374  -5.757  -0.881
   11    HZ1  LYS  16           HZ1      LYS  16   2.268  -6.153  -2.027
   12    HZ3  LYS  16           HZ2      LYS  16   0.870  -5.507  -2.725
   13    HZ2  LYS  16           HZ3      LYS  16   1.055  -7.183  -2.602

  No H/Q in entry =          13
  In of MODEL   11
    1    HA   PRO  17           HA       PRO  17   2.007  -3.688   7.418
    2    HB2  PRO  17           HB2      PRO  17   4.651  -4.710   6.711
    3    HB3  PRO  17           HB3      PRO  17   3.601  -5.166   8.054
    4    HG2  PRO  17           HG2      PRO  17   4.102  -6.805   5.956
    5    HG3  PRO  17           HG3      PRO  17   2.577  -6.833   6.859
    6    HD2  PRO  17           HD2      PRO  17   3.192  -5.601   4.204
    7    HD3  PRO  17           HD3      PRO  17   1.734  -6.465   4.738

  No H/Q in entry =           7
  In of MODEL   11
    1    H    ALA  18           H        ALA  18   3.165  -1.896   8.023
    2    HA   ALA  18           HA       ALA  18   3.730   0.053   6.104
    3    HB3  ALA  18           HB1      ALA  18   3.229   0.448   8.528
    4    HB2  ALA  18           HB2      ALA  18   4.578   1.388   7.889
    5    HB1  ALA  18           HB3      ALA  18   4.887  -0.035   8.884

  No H/Q in entry =           5
  In of MODEL   11
    1    H    GLY  19           H        GLY  19   5.829   1.099   5.675
    2    HA3  GLY  19           HA2      GLY  19   8.007   1.039   4.949
    3    HA2  GLY  19           HA3      GLY  19   8.293  -0.172   6.189

  No H/Q in entry =           3
  In of MODEL   11
    1    H    THR  20           H        THR  20   5.816  -0.954   3.967
    2    HA   THR  20           HA       THR  20   7.673  -2.692   2.482
    3    HB   THR  20           HB       THR  20   4.787  -3.274   3.173
    4    HG1  THR  20           HG1      THR  20   6.255  -3.343   4.977
    5   HG23  THR  20          HG21      THR  20   4.931  -5.255   2.108
    6   HG22  THR  20          HG22      THR  20   6.665  -5.411   2.392
    7   HG21  THR  20          HG23      THR  20   6.072  -4.353   1.111

  No H/Q in entry =           7
  In of MODEL   11
    1    H    THR  21           H        THR  21   7.613  -2.588   0.312
    2    HA   THR  21           HA       THR  21   6.413  -0.471  -1.015
    3    HB   THR  21           HB       THR  21   6.740  -2.556  -2.906
    4    HG1  THR  21           HG1      THR  21   8.858  -3.235  -2.330
    5   HG21  THR  21          HG21      THR  21   8.179  -0.096  -2.131
    6   HG23  THR  21          HG22      THR  21   7.510  -0.583  -3.689
    7   HG22  THR  21          HG23      THR  21   9.039  -1.265  -3.133

  No H/Q in entry =           7
  In of MODEL   11
    1    H    CYS  22           H        CYS  22   4.450  -0.075  -1.777
    2    HA   CYS  22           HA       CYS  22   2.507  -2.283  -1.794
    3    HB2  CYS  22           HB2      CYS  22   0.774  -0.574  -1.469
    4    HB3  CYS  22           HB3      CYS  22   1.975  -0.516  -0.184

  No H/Q in entry =           4
  In of MODEL   11
    1    H    TRP  23           H        TRP  23   3.647   0.547  -3.567
    2    HA   TRP  23           HA       TRP  23   1.952  -0.150  -5.835
    3    HB2  TRP  23           HB2      TRP  23   2.616   2.273  -4.821
    4    HB3  TRP  23           HB3      TRP  23   3.831   2.114  -6.085
    5    HD1  TRP  23           HD1      TRP  23   1.211   0.320  -7.620
    6    HE1  TRP  23           HE1      TRP  23  -0.306   1.798  -9.082
    7    HE3  TRP  23           HE3      TRP  23   2.548   4.901  -5.799
    8    HZ2  TRP  23           HZ2      TRP  23  -0.863   4.541  -9.416
    9    HZ3  TRP  23           HZ3      TRP  23   1.478   6.906  -6.745
   10    HH2  TRP  23           HH2      TRP  23  -0.191   6.726  -8.518

  No H/Q in entry =          10
  In of MODEL   11
    1    H    LYS  24           H        LYS  24   5.312   0.979  -5.676
    2    HA   LYS  24           HA       LYS  24   7.158   0.402  -6.883
    3    HB2  LYS  24           HB2      LYS  24   6.824  -1.610  -5.400
    4    HB3  LYS  24           HB3      LYS  24   6.028  -2.393  -6.758
    5    HG2  LYS  24           HG2      LYS  24   8.327  -1.628  -7.934
    6    HG3  LYS  24           HG3      LYS  24   8.882  -1.873  -6.277
    7    HD2  LYS  24           HD2      LYS  24   7.811  -4.128  -6.331
    8    HD3  LYS  24           HD3      LYS  24   7.469  -3.868  -8.043
    9    HE2  LYS  24           HE2      LYS  24   9.646  -4.112  -8.656
   10    HE3  LYS  24           HE3      LYS  24  10.260  -3.453  -7.141
   11    HZ1  LYS  24           HZ1      LYS  24   9.371  -5.617  -6.133
   12    HZ3  LYS  24           HZ2      LYS  24  10.802  -5.688  -7.031
   13    HZ2  LYS  24           HZ3      LYS  24   9.345  -6.197  -7.723

  No H/Q in entry =          13
  In of MODEL   11
    1    H    THR  25           H        THR  25   4.848   1.219  -8.388
    2    HA   THR  25           HA       THR  25   4.262  -0.367 -10.593
    3    HB   THR  25           HB       THR  25   3.085   1.741  -9.964
    4    HG1  THR  25           HG1      THR  25   4.014   1.816 -12.635
    5   HG23  THR  25          HG21      THR  25   3.983   3.769 -10.031
    6   HG22  THR  25          HG22      THR  25   4.780   3.461 -11.574
    7   HG21  THR  25          HG23      THR  25   5.542   2.946 -10.069

  No H/Q in entry =           7
  In of MODEL   11
    1    H    SER  26           H        SER  26   4.920   0.069 -12.880
    2    HA   SER  26           HA       SER  26   7.689  -0.357 -13.181
    3    HB2  SER  26           HB2      SER  26   5.541  -0.847 -14.742
    4    HB3  SER  26           HB3      SER  26   6.177   0.586 -15.548
    5    HG   SER  26           HG       SER  26   7.023  -1.861 -15.824

  No H/Q in entry =           5
  In of MODEL   11
    1    H    VAL  27           H        VAL  27   5.830   2.539 -13.022
    2    HA   VAL  27           HA       VAL  27   8.188   4.079 -13.899
    3    HB   VAL  27           HB       VAL  27   5.343   5.067 -14.054
    4   HG13  VAL  27          HG11      VAL  27   6.591   6.966 -14.157
    5   HG12  VAL  27          HG12      VAL  27   6.662   6.505 -15.857
    6   HG11  VAL  27          HG13      VAL  27   8.012   6.133 -14.785
    7   HG22  VAL  27          HG21      VAL  27   5.445   4.620 -16.461
    8   HG21  VAL  27          HG22      VAL  27   5.576   3.133 -15.521
    9   HG23  VAL  27          HG23      VAL  27   7.015   3.846 -16.250

  No H/Q in entry =           9
  In of MODEL   11
    1    H    SER  28           H        SER  28   7.440   3.104 -11.193
    2    HA   SER  28           HA       SER  28   8.177   5.334  -9.697
    3    HB2  SER  28           HB2      SER  28   5.592   5.694 -10.445
    4    HB3  SER  28           HB3      SER  28   5.367   4.831  -8.923
    5    HG   SER  28           HG       SER  28   6.420   7.361  -9.403

  No H/Q in entry =           5
  In of MODEL   11
    1    H    SER  29           H        SER  29   7.168   4.918  -7.244
    2    HA   SER  29           HA       SER  29   6.764   2.269  -6.439
    3    HB2  SER  29           HB2      SER  29   9.155   2.142  -5.290
    4    HB3  SER  29           HB3      SER  29   8.896   1.541  -6.928
    5    HG   SER  29           HG       SER  29  10.654   3.281  -6.239

  No H/Q in entry =           5
  In of MODEL   11
    1    H    HIS  30           H        HIS  30   5.562   2.699  -4.723
    2    HA   HIS  30           HA       HIS  30   6.573   4.642  -2.754
    3    HB2  HIS  30           HB2      HIS  30   3.657   4.168  -3.390
    4    HB3  HIS  30           HB3      HIS  30   4.331   5.408  -2.335
    5    HD1  HIS  30           HD1      HIS  30   3.931   7.568  -3.474
    6    HD2  HIS  30           HD2      HIS  30   5.229   4.640  -6.122
    7    HE1  HIS  30           HE1      HIS  30   4.200   8.734  -5.686
    8    HE2  HIS  30           HE2      HIS  30   4.904   6.924  -7.291

  No H/Q in entry =           8
  In of MODEL   11
    1    H    TYR  31           H        TYR  31   6.626   3.994  -0.681
    2    HA   TYR  31           HA       TYR  31   6.018   1.232  -0.101
    3    HB2  TYR  31           HB2      TYR  31   7.408   3.460   1.326
    4    HB3  TYR  31           HB3      TYR  31   6.816   2.096   2.270
    5    HD1  TYR  31           HD1      TYR  31   8.709   0.903   2.904
    6    HD2  TYR  31           HD2      TYR  31   8.327   2.173  -1.139
    7    HE1  TYR  31           HE1      TYR  31  10.724  -0.378   2.318
    8    HE2  TYR  31           HE2      TYR  31  10.341   0.894  -1.736
    9    HH   TYR  31           HH       TYR  31  11.559  -1.466  -0.152

  No H/Q in entry =           9
  In of MODEL   11
    1    H    CYS  32           H        CYS  32   4.945   0.769   2.097
    2    HA   CYS  32           HA       CYS  32   2.500   2.397   2.271
    3    HB2  CYS  32           HB2      CYS  32   2.641  -0.240   1.657
    4    HB3  CYS  32           HB3      CYS  32   2.476  -0.332   3.406

  No H/Q in entry =           4
  In of MODEL   11
    1    H    THR  33           H        THR  33   1.505   2.586   4.381
    2    HA   THR  33           HA       THR  33   3.485   2.484   6.561
    3    HB   THR  33           HB       THR  33   2.594   4.475   7.472
    4    HG1  THR  33           HG1      THR  33   0.679   5.399   6.724
    5   HG23  THR  33          HG21      THR  33   3.229   6.008   5.964
    6   HG22  THR  33          HG22      THR  33   2.184   5.359   4.701
    7   HG21  THR  33          HG23      THR  33   3.734   4.590   5.045

  No H/Q in entry =           7
  In of MODEL   11
    1    H    GLY  34           H        GLY  34   1.341   0.542   5.600
    2    HA3  GLY  34           HA2      GLY  34  -0.290  -0.812   6.500
    3    HA2  GLY  34           HA3      GLY  34   0.642  -0.628   7.977

  No H/Q in entry =           3
  In of MODEL   11
    1    H    ARG  35           H        ARG  35  -1.107   1.928   6.283
    2    HA   ARG  35           HA       ARG  35  -2.891   2.133   8.619
    3    HB2  ARG  35           HB2      ARG  35  -1.606   4.258   6.926
    4    HB3  ARG  35           HB3      ARG  35  -3.049   4.598   7.872
    5    HG2  ARG  35           HG2      ARG  35  -1.780   3.767   9.886
    6    HG3  ARG  35           HG3      ARG  35  -0.338   3.775   8.869
    7    HD2  ARG  35           HD2      ARG  35  -0.225   6.041   8.810
    8    HD3  ARG  35           HD3      ARG  35  -1.976   6.237   8.875
    9    HE   ARG  35           HE       ARG  35  -0.952   5.246  11.334
   10   HH11  ARG  35          HH11      ARG  35  -1.275   8.156   9.436
   11   HH12  ARG  35          HH12      ARG  35  -1.239   9.207  10.811
   12   HH21  ARG  35          HH21      ARG  35  -0.905   6.626  13.145
   13   HH22  ARG  35          HH22      ARG  35  -1.029   8.339  12.917

  No H/Q in entry =          13
  In of MODEL   11
    1    H    SER  36           H        SER  36  -2.641   2.416   5.119
    2    HA   SER  36           HA       SER  36  -5.353   1.578   4.777
    3    HB2  SER  36           HB2      SER  36  -4.660   4.459   4.571
    4    HB3  SER  36           HB3      SER  36  -5.706   3.803   3.312
    5    HG   SER  36           HG       SER  36  -7.019   2.970   5.084

  No H/Q in entry =           5
  In of MODEL   11
    1    H    CYS  37           H        CYS  37  -5.967   1.754   2.356
    2    HA   CYS  37           HA       CYS  37  -3.914   0.448   0.877
    3    HB2  CYS  37           HB2      CYS  37  -6.491   1.561  -0.234
    4    HB3  CYS  37           HB3      CYS  37  -5.530   0.231  -0.871

  No H/Q in entry =           4
  In of MODEL   11
    1    H    GLU  38           H        GLU  38  -5.163   3.710   1.000
    2    HA   GLU  38           HA       GLU  38  -4.141   4.718  -1.392
    3    HB2  GLU  38           HB2      GLU  38  -5.618   5.776   0.573
    4    HB3  GLU  38           HB3      GLU  38  -4.062   6.469   1.008
    5    HG2  GLU  38           HG2      GLU  38  -3.865   7.504  -1.156
    6    HG3  GLU  38           HG3      GLU  38  -5.345   6.718  -1.702

  No H/Q in entry =           6
  In of MODEL   11
    1    H    CYS  39           H        CYS  39  -2.098   4.395  -2.025
    2    HA   CYS  39           HA       CYS  39   0.091   4.348  -0.160
    3    HB2  CYS  39           HB2      CYS  39  -0.026   4.182  -3.174
    4    HB3  CYS  39           HB3      CYS  39   1.477   4.104  -2.259

  No H/Q in entry =           4
  In of MODEL   11
    1    HA   PRO  40           HA       PRO  40   1.294   8.583  -0.030
    2    HB2  PRO  40           HB2      PRO  40   4.043   7.595  -0.624
    3    HB3  PRO  40           HB3      PRO  40   3.480   8.637   0.688
    4    HG2  PRO  40           HG2      PRO  40   4.071   6.083   1.146
    5    HG3  PRO  40           HG3      PRO  40   2.686   6.854   1.942
    6    HD2  PRO  40           HD2      PRO  40   2.737   4.936  -0.345
    7    HD3  PRO  40           HD3      PRO  40   1.560   5.090   0.975

  No H/Q in entry =           7
  In of MODEL   11
    1    H    SER  41           H        SER  41   2.732  10.181  -1.308
    2    HA   SER  41           HA       SER  41   2.435   9.584  -4.179
    3    HB2  SER  41           HB2      SER  41   1.850  12.015  -2.564
    4    HB3  SER  41           HB3      SER  41   2.487  12.261  -4.190
    5    HG   SER  41           HG       SER  41   0.556  11.852  -4.875

  No H/Q in entry =           5
  In of MODEL   11
    1    H    TYR  42           H        TYR  42   4.763   9.049  -2.447
    2    HA   TYR  42           HA       TYR  42   6.763  10.180  -4.176
    3    HB2  TYR  42           HB2      TYR  42   8.081  11.268  -2.448
    4    HB3  TYR  42           HB3      TYR  42   6.472  11.980  -2.498
    5    HD1  TYR  42           HD1      TYR  42   5.053  11.927  -0.599
    6    HD2  TYR  42           HD2      TYR  42   8.653   9.659  -0.615
    7    HE1  TYR  42           HE1      TYR  42   4.787  11.498   1.807
    8    HE2  TYR  42           HE2      TYR  42   8.396   9.222   1.791
    9    HH   TYR  42           HH       TYR  42   7.205  10.406   3.760

  No H/Q in entry =           9
  In of MODEL   11
    1    HA   PRO  43           HA       PRO  43   8.633   6.297  -3.214
    2    HB2  PRO  43           HB2      PRO  43  11.196   6.781  -3.931
    3    HB3  PRO  43           HB3      PRO  43   9.895   6.607  -5.115
    4    HG2  PRO  43           HG2      PRO  43  11.141   9.101  -4.022
    5    HG3  PRO  43           HG3      PRO  43  10.702   8.711  -5.696
    6    HD2  PRO  43           HD2      PRO  43   9.157  10.266  -4.098
    7    HD3  PRO  43           HD3      PRO  43   8.482   9.223  -5.366

  No H/Q in entry =           7
  In of MODEL   11
    1    H    GLY  44           H        GLY  44   9.502   5.319  -1.466
    2    HA3  GLY  44           HA2      GLY  44  10.942   5.055   0.367
    3    HA2  GLY  44           HA3      GLY  44  11.404   6.744   0.219

  No H/Q in entry =           3
  In of MODEL   11
    1    H    ASN  45           H        ASN  45  10.933   5.761   2.692
    2    HA   ASN  45           HA       ASN  45   8.454   7.147   3.427
    3    HB2  ASN  45           HB2      ASN  45   8.235   4.584   3.429
    4    HB3  ASN  45           HB3      ASN  45   9.301   4.620   4.830
    5   HD21  ASN  45          HD21      ASN  45   7.657   3.747   6.115
    6   HD22  ASN  45          HD22      ASN  45   6.332   4.709   6.665

  No H/Q in entry =           6
  In of MODEL   11
    1    H    GLY  46           H        GLY  46   9.951   8.882   3.909
    2    HA3  GLY  46           HA2      GLY  46  10.625  10.085   5.860
    3    HA2  GLY  46           HA3      GLY  46  11.096   8.561   6.597

  No H/Q in entry =           3
  In of MODEL   12
    1    H1   ALA   1           H1       ALA   1 -16.498 -10.078   3.189
    2    H2   ALA   1           H3       ALA   1 -14.946  -9.407   3.470
    3    H3   ALA   1           H2       ALA   1 -15.492 -10.731   4.417
    4    HA   ALA   1           HA       ALA   1 -17.069  -9.465   5.493
    5    HB2  ALA   1           HB1      ALA   1 -14.728  -7.599   5.291
    6    HB1  ALA   1           HB2      ALA   1 -14.596  -9.175   6.073
    7    HB3  ALA   1           HB3      ALA   1 -15.728  -7.973   6.695

  No H/Q in entry =           7
  In of MODEL   12
    1    H    MET   2           H        MET   2 -17.317  -6.822   5.920
    2    HA   MET   2           HA       MET   2 -19.077  -5.990   3.900
    3    HB2  MET   2           HB2      MET   2 -17.888  -4.733   6.324
    4    HB3  MET   2           HB3      MET   2 -18.647  -3.673   5.144
    5    HG2  MET   2           HG2      MET   2 -20.269  -4.210   6.788
    6    HG3  MET   2           HG3      MET   2 -20.700  -5.069   5.311
    7    HE2  MET   2           HE1      MET   2 -19.216  -8.263   5.557
    8    HE1  MET   2           HE2      MET   2 -20.396  -7.213   4.773
    9    HE3  MET   2           HE3      MET   2 -20.933  -8.446   5.914

  No H/Q in entry =           9
  In of MODEL   12
    1    H    ASP   3           H        ASP   3 -16.207  -4.133   4.883
    2    HA   ASP   3           HA       ASP   3 -15.881  -3.307   2.086
    3    HB2  ASP   3           HB2      ASP   3 -15.260  -2.052   4.714
    4    HB3  ASP   3           HB3      ASP   3 -14.205  -1.664   3.359

  No H/Q in entry =           4
  In of MODEL   12
    1    H    CYS   4           H        CYS   4 -13.572  -3.637   4.774
    2    HA   CYS   4           HA       CYS   4 -11.591  -4.744   4.959
    3    HB2  CYS   4           HB2      CYS   4 -13.130  -6.388   3.179
    4    HB3  CYS   4           HB3      CYS   4 -11.446  -6.395   2.671

  No H/Q in entry =           4
  In of MODEL   12
    1    H    THR   5           H        THR   5 -12.267  -2.508   2.801
    2    HA   THR   5           HA       THR   5 -11.068  -1.161   1.417
    3    HB   THR   5           HB       THR   5  -8.434  -2.276   2.100
    4    HG1  THR   5           HG1      THR   5  -8.951  -2.618   4.106
    5   HG22  THR   5          HG21      THR   5  -8.008   0.046   2.816
    6   HG21  THR   5          HG22      THR   5  -9.680   0.442   2.418
    7   HG23  THR   5          HG23      THR   5  -8.571  -0.082   1.149

  No H/Q in entry =           7
  In of MODEL   12
    1    H    THR   6           H        THR   6  -9.291  -1.199  -0.344
    2    HA   THR   6           HA       THR   6  -8.491  -3.608  -1.540
    3    HB   THR   6           HB       THR   6 -10.169  -3.054  -3.605
    4    HG1  THR   6           HG1      THR   6 -11.737  -1.887  -2.872
    5   HG23  THR   6          HG21      THR   6 -10.649  -5.186  -3.317
    6   HG22  THR   6          HG22      THR   6 -11.618  -4.795  -1.896
    7   HG21  THR   6          HG23      THR   6  -9.896  -5.134  -1.723

  No H/Q in entry =           7
  In of MODEL   12
    1    H    GLY   7           H        GLY   7  -6.869  -3.142  -2.907
    2    HA3  GLY   7           HA2      GLY   7  -6.690  -1.342  -4.914
    3    HA2  GLY   7           HA3      GLY   7  -6.335  -0.363  -3.499

  No H/Q in entry =           3
  In of MODEL   12
    1    HA   PRO   8           HA       PRO   8  -2.299  -2.115  -4.701
    2    HB2  PRO   8           HB2      PRO   8  -0.877   0.137  -4.611
    3    HB3  PRO   8           HB3      PRO   8  -1.977  -0.194  -5.956
    4    HG2  PRO   8           HG2      PRO   8  -2.352   1.598  -3.597
    5    HG3  PRO   8           HG3      PRO   8  -2.837   1.846  -5.282
    6    HD2  PRO   8           HD2      PRO   8  -4.501   0.957  -3.230
    7    HD3  PRO   8           HD3      PRO   8  -4.823   0.786  -4.966

  No H/Q in entry =           7
  In of MODEL   12
    1    H    CYS   9           H        CYS   9  -3.003   0.076  -1.991
    2    HA   CYS   9           HA       CYS   9  -0.684  -0.946  -0.540
    3    HB2  CYS   9           HB2      CYS   9  -1.929   1.551  -0.631
    4    HB3  CYS   9           HB3      CYS   9  -2.323   0.912   0.961

  No H/Q in entry =           4
  In of MODEL   12
    1    H    CYS  10           H        CYS  10  -2.940  -2.704  -1.032
    2    HA   CYS  10           HA       CYS  10  -3.220  -3.723   1.619
    3    HB2  CYS  10           HB2      CYS  10  -5.636  -3.621   1.807
    4    HB3  CYS  10           HB3      CYS  10  -4.992  -1.993   1.631

  No H/Q in entry =           4
  In of MODEL   12
    1    H    ARG  11           H        ARG  11  -3.024  -5.829   1.400
    2    HA   ARG  11           HA       ARG  11  -2.891  -7.243  -0.927
    3    HB2  ARG  11           HB2      ARG  11  -2.120  -8.164   1.172
    4    HB3  ARG  11           HB3      ARG  11  -3.763  -8.233   1.792
    5    HG2  ARG  11           HG2      ARG  11  -4.341  -9.922   0.153
    6    HG3  ARG  11           HG3      ARG  11  -2.727  -9.814  -0.554
    7    HD2  ARG  11           HD2      ARG  11  -3.348 -10.663   2.274
    8    HD3  ARG  11           HD3      ARG  11  -2.966 -11.751   0.942
    9    HE   ARG  11           HE       ARG  11  -0.743 -11.132   1.089
   10   HH11  ARG  11          HH11      ARG  11  -2.680  -9.136   3.203
   11   HH12  ARG  11          HH12      ARG  11  -1.313  -8.486   4.042
   12   HH21  ARG  11          HH21      ARG  11   1.051 -10.276   2.194
   13   HH22  ARG  11          HH22      ARG  11   0.803  -9.132   3.471

  No H/Q in entry =          13
  In of MODEL   12
    1    H    GLN  12           H        GLN  12  -5.599  -8.074   1.205
    2    HA   GLN  12           HA       GLN  12  -7.505  -7.587  -0.938
    3    HB2  GLN  12           HB2      GLN  12  -6.391 -10.001  -0.954
    4    HB3  GLN  12           HB3      GLN  12  -7.620 -10.300   0.266
    5    HG2  GLN  12           HG2      GLN  12  -8.571  -8.960  -2.169
    6    HG3  GLN  12           HG3      GLN  12  -7.994 -10.612  -2.386
    7   HE21  GLN  12          HE21      GLN  12  -8.793 -12.056  -0.440
    8   HE22  GLN  12          HE22      GLN  12 -10.495 -11.969  -0.158

  No H/Q in entry =           8
  In of MODEL   12
    1    H    CYS  13           H        CYS  13  -6.835  -7.088   2.134
    2    HA   CYS  13           HA       CYS  13  -9.551  -6.676   2.862
    3    HB2  CYS  13           HB2      CYS  13  -8.367  -9.198   3.573
    4    HB3  CYS  13           HB3      CYS  13  -8.755  -8.285   5.028

  No H/Q in entry =           4
  In of MODEL   12
    1    H    LYS  14           H        LYS  14  -6.167  -6.811   3.881
    2    HA   LYS  14           HA       LYS  14  -6.702  -4.450   5.546
    3    HB2  LYS  14           HB2      LYS  14  -6.247  -6.819   6.707
    4    HB3  LYS  14           HB3      LYS  14  -4.579  -6.329   6.440
    5    HG2  LYS  14           HG2      LYS  14  -4.932  -4.304   7.710
    6    HG3  LYS  14           HG3      LYS  14  -6.641  -4.695   7.905
    7    HD2  LYS  14           HD2      LYS  14  -5.640  -6.928   8.914
    8    HD3  LYS  14           HD3      LYS  14  -4.251  -5.884   9.219
    9    HE2  LYS  14           HE2      LYS  14  -5.355  -4.636  10.765
   10    HE3  LYS  14           HE3      LYS  14  -6.915  -4.830   9.965
   11    HZ2  LYS  14           HZ1      LYS  14  -6.666  -5.978  12.163
   12    HZ1  LYS  14           HZ2      LYS  14  -5.571  -7.033  11.422
   13    HZ3  LYS  14           HZ3      LYS  14  -7.175  -6.969  10.889

  No H/Q in entry =          13
  In of MODEL   12
    1    H    LEU  15           H        LEU  15  -5.307  -2.807   5.277
    2    HA   LEU  15           HA       LEU  15  -3.682  -2.554   3.105
    3    HB2  LEU  15           HB2      LEU  15  -2.390  -0.826   4.562
    4    HB3  LEU  15           HB3      LEU  15  -4.056  -0.534   4.119
    5    HG   LEU  15           HG       LEU  15  -3.283  -0.041   6.532
    6   HD13  LEU  15          HD11      LEU  15  -5.449   0.101   6.980
    7   HD12  LEU  15          HD12      LEU  15  -5.674  -1.643   6.851
    8   HD11  LEU  15          HD13      LEU  15  -5.725  -0.638   5.403
    9   HD21  LEU  15          HD21      LEU  15  -2.179  -2.188   6.929
   10   HD23  LEU  15          HD22      LEU  15  -3.728  -3.013   6.764
   11   HD22  LEU  15          HD23      LEU  15  -3.467  -1.886   8.093

  No H/Q in entry =          11
  In of MODEL   12
    1    H    LYS  16           H        LYS  16  -1.610  -3.016   2.544
    2    HA   LYS  16           HA       LYS  16  -0.325  -5.186   3.677
    3    HB2  LYS  16           HB2      LYS  16   0.903  -2.944   2.056
    4    HB3  LYS  16           HB3      LYS  16   1.656  -4.505   2.355
    5    HG2  LYS  16           HG2      LYS  16  -0.014  -5.639   1.088
    6    HG3  LYS  16           HG3      LYS  16  -0.984  -4.170   0.954
    7    HD2  LYS  16           HD2      LYS  16   0.375  -3.254  -0.642
    8    HD3  LYS  16           HD3      LYS  16   1.812  -4.094  -0.053
    9    HE2  LYS  16           HE2      LYS  16   0.328  -6.191  -0.873
   10    HE3  LYS  16           HE3      LYS  16  -0.232  -4.955  -1.998
   11    HZ1  LYS  16           HZ1      LYS  16   2.650  -5.190  -1.599
   12    HZ3  LYS  16           HZ2      LYS  16   1.779  -4.828  -3.003
   13    HZ2  LYS  16           HZ3      LYS  16   1.892  -6.428  -2.469

  No H/Q in entry =          13
  In of MODEL   12
    1    HA   PRO  17           HA       PRO  17   1.676  -3.883   7.379
    2    HB2  PRO  17           HB2      PRO  17   4.179  -5.054   6.945
    3    HB3  PRO  17           HB3      PRO  17   2.787  -5.834   7.699
    4    HG2  PRO  17           HG2      PRO  17   3.766  -6.005   4.888
    5    HG3  PRO  17           HG3      PRO  17   3.038  -7.262   5.905
    6    HD2  PRO  17           HD2      PRO  17   1.638  -6.062   3.965
    7    HD3  PRO  17           HD3      PRO  17   0.877  -6.503   5.510

  No H/Q in entry =           7
  In of MODEL   12
    1    H    ALA  18           H        ALA  18   2.465  -1.935   7.825
    2    HA   ALA  18           HA       ALA  18   3.463  -0.095   6.092
    3    HB1  ALA  18           HB1      ALA  18   4.559  -0.124   8.868
    4    HB3  ALA  18           HB2      ALA  18   2.827   0.085   8.613
    5    HB2  ALA  18           HB3      ALA  18   3.967   1.231   7.907

  No H/Q in entry =           5
  In of MODEL   12
    1    H    GLY  19           H        GLY  19   5.606   0.828   5.785
    2    HA3  GLY  19           HA2      GLY  19   7.852   0.705   5.310
    3    HA2  GLY  19           HA3      GLY  19   7.966  -0.582   6.501

  No H/Q in entry =           3
  In of MODEL   12
    1    H    THR  20           H        THR  20   5.669  -1.069   4.011
    2    HA   THR  20           HA       THR  20   7.563  -2.770   2.532
    3    HB   THR  20           HB       THR  20   4.700  -3.425   3.261
    4    HG1  THR  20           HG1      THR  20   6.350  -3.689   4.913
    5   HG23  THR  20          HG21      THR  20   4.680  -5.151   1.862
    6   HG22  THR  20          HG22      THR  20   6.358  -5.571   2.207
    7   HG21  THR  20          HG23      THR  20   5.989  -4.313   1.028

  No H/Q in entry =           7
  In of MODEL   12
    1    H    THR  21           H        THR  21   7.598  -2.433   0.393
    2    HA   THR  21           HA       THR  21   6.339  -0.324  -0.850
    3    HB   THR  21           HB       THR  21   8.300  -1.599  -1.731
    4    HG1  THR  21           HG1      THR  21   6.945  -0.148  -3.026
    5   HG22  THR  21          HG21      THR  21   6.785  -3.399  -3.375
    6   HG21  THR  21          HG22      THR  21   6.588  -3.782  -1.664
    7   HG23  THR  21          HG23      THR  21   8.203  -3.707  -2.372

  No H/Q in entry =           7
  In of MODEL   12
    1    H    CYS  22           H        CYS  22   4.418   0.026  -1.831
    2    HA   CYS  22           HA       CYS  22   2.468  -2.163  -1.710
    3    HB2  CYS  22           HB2      CYS  22   0.745  -0.472  -1.634
    4    HB3  CYS  22           HB3      CYS  22   1.948  -0.134  -0.395

  No H/Q in entry =           4
  In of MODEL   12
    1    H    TRP  23           H        TRP  23   3.664   0.417  -3.829
    2    HA   TRP  23           HA       TRP  23   2.102  -0.705  -6.022
    3    HB2  TRP  23           HB2      TRP  23   2.687   1.917  -5.340
    4    HB3  TRP  23           HB3      TRP  23   3.764   1.600  -6.696
    5    HD1  TRP  23           HD1      TRP  23   0.794  -0.438  -7.202
    6    HE1  TRP  23           HE1      TRP  23  -0.848   0.669  -8.844
    7    HE3  TRP  23           HE3      TRP  23   2.776   4.263  -7.287
    8    HZ2  TRP  23           HZ2      TRP  23  -1.250   3.197 -10.013
    9    HZ3  TRP  23           HZ3      TRP  23   1.708   5.971  -8.693
   10    HH2  TRP  23           HH2      TRP  23  -0.265   5.447 -10.032

  No H/Q in entry =          10
  In of MODEL   12
    1    H    LYS  24           H        LYS  24   5.429   0.293  -5.385
    2    HA   LYS  24           HA       LYS  24   7.416  -0.300  -6.338
    3    HB2  LYS  24           HB2      LYS  24   6.813  -2.339  -5.061
    4    HB3  LYS  24           HB3      LYS  24   6.064  -2.994  -6.510
    5    HG2  LYS  24           HG2      LYS  24   8.078  -3.366  -7.552
    6    HG3  LYS  24           HG3      LYS  24   8.916  -2.135  -6.605
    7    HD2  LYS  24           HD2      LYS  24   9.670  -4.289  -5.871
    8    HD3  LYS  24           HD3      LYS  24   8.658  -3.597  -4.602
    9    HE2  LYS  24           HE2      LYS  24   7.041  -5.157  -4.856
   10    HE3  LYS  24           HE3      LYS  24   7.266  -5.258  -6.602
   11    HZ1  LYS  24           HZ1      LYS  24   9.361  -6.322  -4.845
   12    HZ3  LYS  24           HZ2      LYS  24   8.901  -6.821  -6.394
   13    HZ2  LYS  24           HZ3      LYS  24   7.946  -7.226  -5.058

  No H/Q in entry =          13
  In of MODEL   12
    1    H    THR  25           H        THR  25   5.279   0.621  -8.154
    2    HA   THR  25           HA       THR  25   5.298  -0.853 -10.555
    3    HB   THR  25           HB       THR  25   4.912   2.125 -10.195
    4    HG1  THR  25           HG1      THR  25   2.822   1.682  -9.782
    5   HG23  THR  25          HG21      THR  25   5.125   1.591 -12.526
    6   HG22  THR  25          HG22      THR  25   3.437   1.940 -12.151
    7   HG21  THR  25          HG23      THR  25   3.967   0.271 -12.363

  No H/Q in entry =           7
  In of MODEL   12
    1    H    SER  26           H        SER  26   6.266  -0.051 -12.630
    2    HA   SER  26           HA       SER  26   9.101   0.375 -12.236
    3    HB2  SER  26           HB2      SER  26   7.469  -0.061 -14.749
    4    HB3  SER  26           HB3      SER  26   9.228   0.056 -14.706
    5    HG   SER  26           HG       SER  26   7.745  -2.086 -14.311

  No H/Q in entry =           5
  In of MODEL   12
    1    H    VAL  27           H        VAL  27   7.965   2.588 -11.321
    2    HA   VAL  27           HA       VAL  27   9.169   4.687 -12.637
    3    HB   VAL  27           HB       VAL  27   7.553   4.360 -14.459
    4   HG12  VAL  27          HG11      VAL  27   5.159   4.776 -14.078
    5   HG11  VAL  27          HG12      VAL  27   5.465   4.880 -12.344
    6   HG13  VAL  27          HG13      VAL  27   5.734   3.360 -13.198
    7   HG22  VAL  27          HG21      VAL  27   6.747   6.637 -14.619
    8   HG21  VAL  27          HG22      VAL  27   8.362   6.628 -13.912
    9   HG23  VAL  27          HG23      VAL  27   6.950   6.860 -12.881

  No H/Q in entry =           9
  In of MODEL   12
    1    H    SER  28           H        SER  28   6.400   3.647 -10.759
    2    HA   SER  28           HA       SER  28   6.458   6.112  -9.195
    3    HB2  SER  28           HB2      SER  28   4.451   4.279  -8.285
    4    HB3  SER  28           HB3      SER  28   4.241   5.839  -9.079
    5    HG   SER  28           HG       SER  28   3.514   4.719 -10.688

  No H/Q in entry =           5
  In of MODEL   12
    1    H    SER  29           H        SER  29   5.722   2.815  -8.151
    2    HA   SER  29           HA       SER  29   6.429   1.576  -6.386
    3    HB2  SER  29           HB2      SER  29   9.050   3.027  -6.337
    4    HB3  SER  29           HB3      SER  29   8.720   1.308  -6.117
    5    HG   SER  29           HG       SER  29   9.606   1.547  -8.131

  No H/Q in entry =           5
  In of MODEL   12
    1    H    HIS  30           H        HIS  30   5.585   1.894  -4.442
    2    HA   HIS  30           HA       HIS  30   6.500   4.172  -2.842
    3    HB2  HIS  30           HB2      HIS  30   3.587   3.403  -3.116
    4    HB3  HIS  30           HB3      HIS  30   4.243   4.751  -2.186
    5    HD1  HIS  30           HD1      HIS  30   3.963   6.912  -3.353
    6    HD2  HIS  30           HD2      HIS  30   4.410   3.760  -6.017
    7    HE1  HIS  30           HE1      HIS  30   3.795   7.936  -5.648
    8    HE2  HIS  30           HE2      HIS  30   3.853   5.981  -7.216

  No H/Q in entry =           8
  In of MODEL   12
    1    H    TYR  31           H        TYR  31   6.229   3.903  -0.566
    2    HA   TYR  31           HA       TYR  31   6.112   1.079   0.220
    3    HB2  TYR  31           HB2      TYR  31   7.679   3.399   1.110
    4    HB3  TYR  31           HB3      TYR  31   7.050   2.409   2.423
    5    HD1  TYR  31           HD1      TYR  31   8.034   1.125  -0.903
    6    HD2  TYR  31           HD2      TYR  31   9.112   1.511   3.195
    7    HE1  TYR  31           HE1      TYR  31   9.866  -0.481  -1.240
    8    HE2  TYR  31           HE2      TYR  31  10.947  -0.092   2.869
    9    HH   TYR  31           HH       TYR  31  12.201  -0.901   0.022

  No H/Q in entry =           9
  In of MODEL   12
    1    H    CYS  32           H        CYS  32   4.437   0.334   1.342
    2    HA   CYS  32           HA       CYS  32   2.277   2.043   2.050
    3    HB2  CYS  32           HB2      CYS  32   2.454  -0.593   1.483
    4    HB3  CYS  32           HB3      CYS  32   2.393  -0.667   3.241

  No H/Q in entry =           4
  In of MODEL   12
    1    H    THR  33           H        THR  33   1.540   2.669   4.055
    2    HA   THR  33           HA       THR  33   3.548   2.580   6.190
    3    HB   THR  33           HB       THR  33   2.619   4.568   7.047
    4    HG1  THR  33           HG1      THR  33   0.386   4.230   5.338
    5   HG23  THR  33          HG21      THR  33   2.558   6.146   5.267
    6   HG22  THR  33          HG22      THR  33   2.184   4.886   4.090
    7   HG21  THR  33          HG23      THR  33   3.765   4.923   4.871

  No H/Q in entry =           7
  In of MODEL   12
    1    H    GLY  34           H        GLY  34   1.418   0.515   5.399
    2    HA3  GLY  34           HA2      GLY  34  -0.112  -0.862   6.439
    3    HA2  GLY  34           HA3      GLY  34   0.939  -0.645   7.829

  No H/Q in entry =           3
  In of MODEL   12
    1    H    ARG  35           H        ARG  35  -1.034   1.843   6.277
    2    HA   ARG  35           HA       ARG  35  -2.671   1.958   8.723
    3    HB2  ARG  35           HB2      ARG  35  -0.894   3.862   8.062
    4    HB3  ARG  35           HB3      ARG  35  -2.283   4.443   7.154
    5    HG2  ARG  35           HG2      ARG  35  -2.792   3.685   9.957
    6    HG3  ARG  35           HG3      ARG  35  -1.786   5.111   9.699
    7    HD2  ARG  35           HD2      ARG  35  -3.768   5.580   7.927
    8    HD3  ARG  35           HD3      ARG  35  -4.652   4.685   9.163
    9    HE   ARG  35           HE       ARG  35  -3.282   6.530  10.592
   10   HH11  ARG  35          HH11      ARG  35  -5.406   6.741   7.831
   11   HH12  ARG  35          HH12      ARG  35  -5.983   8.322   8.238
   12   HH21  ARG  35          HH21      ARG  35  -4.041   8.609  11.129
   13   HH22  ARG  35          HH22      ARG  35  -5.208   9.383  10.110

  No H/Q in entry =          13
  In of MODEL   12
    1    H    SER  36           H        SER  36  -2.553   2.638   5.260
    2    HA   SER  36           HA       SER  36  -5.395   1.984   5.080
    3    HB2  SER  36           HB2      SER  36  -4.157   4.601   4.281
    4    HB3  SER  36           HB3      SER  36  -5.556   3.982   3.404
    5    HG   SER  36           HG       SER  36  -5.400   4.469   6.197

  No H/Q in entry =           5
  In of MODEL   12
    1    H    CYS  37           H        CYS  37  -6.055   1.912   2.669
    2    HA   CYS  37           HA       CYS  37  -4.102   0.240   1.339
    3    HB2  CYS  37           HB2      CYS  37  -6.477  -0.435   1.458
    4    HB3  CYS  37           HB3      CYS  37  -6.909   0.968   0.486

  No H/Q in entry =           4
  In of MODEL   12
    1    H    GLU  38           H        GLU  38  -4.542   3.482   1.428
    2    HA   GLU  38           HA       GLU  38  -4.206   4.009  -1.405
    3    HB2  GLU  38           HB2      GLU  38  -4.160   5.891   0.962
    4    HB3  GLU  38           HB3      GLU  38  -4.149   6.377  -0.728
    5    HG2  GLU  38           HG2      GLU  38  -6.351   5.888  -1.033
    6    HG3  GLU  38           HG3      GLU  38  -6.357   4.628   0.200

  No H/Q in entry =           6
  In of MODEL   12
    1    H    CYS  39           H        CYS  39  -2.347   4.699  -2.397
    2    HA   CYS  39           HA       CYS  39   0.115   4.412  -0.816
    3    HB2  CYS  39           HB2      CYS  39  -0.404   4.058  -3.771
    4    HB3  CYS  39           HB3      CYS  39   1.210   4.074  -3.069

  No H/Q in entry =           4
  In of MODEL   12
    1    HA   PRO  40           HA       PRO  40   0.907   8.768  -1.097
    2    HB2  PRO  40           HB2      PRO  40   3.747   7.913  -1.342
    3    HB3  PRO  40           HB3      PRO  40   3.007   9.049  -0.209
    4    HG2  PRO  40           HG2      PRO  40   3.731   6.613   0.587
    5    HG3  PRO  40           HG3      PRO  40   2.239   7.364   1.186
    6    HD2  PRO  40           HD2      PRO  40   2.595   5.221  -0.863
    7    HD3  PRO  40           HD3      PRO  40   1.323   5.416   0.360

  No H/Q in entry =           7
  In of MODEL   12
    1    H    SER  41           H        SER  41   2.395  10.255  -2.467
    2    HA   SER  41           HA       SER  41   2.238   9.315  -5.251
    3    HB2  SER  41           HB2      SER  41   2.442  11.942  -5.604
    4    HB3  SER  41           HB3      SER  41   0.892  11.183  -5.244
    5    HG   SER  41           HG       SER  41   0.999  12.755  -3.772

  No H/Q in entry =           5
  In of MODEL   12
    1    H    TYR  42           H        TYR  42   4.466   8.820  -3.402
    2    HA   TYR  42           HA       TYR  42   6.591   9.554  -5.169
    3    HB2  TYR  42           HB2      TYR  42   7.910  10.883  -3.661
    4    HB3  TYR  42           HB3      TYR  42   6.319  11.625  -3.784
    5    HD1  TYR  42           HD1      TYR  42   5.029  12.012  -1.858
    6    HD2  TYR  42           HD2      TYR  42   8.407   9.435  -1.631
    7    HE1  TYR  42           HE1      TYR  42   4.813  11.953   0.591
    8    HE2  TYR  42           HE2      TYR  42   8.200   9.369   0.817
    9    HH   TYR  42           HH       TYR  42   6.372  11.519   2.568

  No H/Q in entry =           9
  In of MODEL   12
    1    HA   PRO  43           HA       PRO  43   8.077   5.764  -3.433
    2    HB2  PRO  43           HB2      PRO  43  10.610   5.778  -4.354
    3    HB3  PRO  43           HB3      PRO  43   9.223   5.539  -5.424
    4    HG2  PRO  43           HG2      PRO  43  10.811   8.027  -4.910
    5    HG3  PRO  43           HG3      PRO  43  10.233   7.369  -6.453
    6    HD2  PRO  43           HD2      PRO  43   8.970   9.385  -5.133
    7    HD3  PRO  43           HD3      PRO  43   8.116   8.221  -6.165

  No H/Q in entry =           7
  In of MODEL   12
    1    H    GLY  44           H        GLY  44   9.271   4.970  -1.710
    2    HA3  GLY  44           HA2      GLY  44  10.857   5.036   0.019
    3    HA2  GLY  44           HA3      GLY  44  11.189   6.716  -0.379

  No H/Q in entry =           3
  In of MODEL   12
    1    H    ASN  45           H        ASN  45  10.641   5.425   2.218
    2    HA   ASN  45           HA       ASN  45   8.400   7.152   3.020
    3    HB2  ASN  45           HB2      ASN  45   7.690   5.446   4.651
    4    HB3  ASN  45           HB3      ASN  45   7.588   4.847   2.999
    5   HD21  ASN  45          HD21      ASN  45   7.896   3.492   5.632
    6   HD22  ASN  45          HD22      ASN  45   9.277   2.470   5.446

  No H/Q in entry =           6
  In of MODEL   12
    1    H    GLY  46           H        GLY  46   9.054   8.625   4.433
    2    HA3  GLY  46           HA2      GLY  46  10.070   8.525   6.844
    3    HA2  GLY  46           HA3      GLY  46  11.527   8.153   5.934

  No H/Q in entry =           3
  In of MODEL   13
    1    H1   ALA   1           H3       ALA   1 -14.669  -4.724  11.607
    2    H2   ALA   1           H2       ALA   1 -13.034  -5.165  11.886
    3    H3   ALA   1           H1       ALA   1 -13.404  -3.675  11.119
    4    HA   ALA   1           HA       ALA   1 -12.759  -5.003   9.411
    5    HB2  ALA   1           HB1      ALA   1 -13.617  -7.325   9.142
    6    HB1  ALA   1           HB2      ALA   1 -14.360  -7.185  10.735
    7    HB3  ALA   1           HB3      ALA   1 -12.607  -7.093  10.569

  No H/Q in entry =           7
  In of MODEL   13
    1    H    MET   2           H        MET   2 -14.065  -3.211   8.617
    2    HA   MET   2           HA       MET   2 -16.873  -3.577   8.176
    3    HB2  MET   2           HB2      MET   2 -15.878  -1.342   8.450
    4    HB3  MET   2           HB3      MET   2 -14.960  -1.571   6.968
    5    HG2  MET   2           HG2      MET   2 -16.765  -0.259   6.326
    6    HG3  MET   2           HG3      MET   2 -17.219  -1.888   5.826
    7    HE3  MET   2           HE1      MET   2 -18.340   1.201   8.138
    8    HE2  MET   2           HE2      MET   2 -19.982   0.790   7.643
    9    HE1  MET   2           HE3      MET   2 -18.706   0.932   6.434

  No H/Q in entry =           9
  In of MODEL   13
    1    H    ASP   3           H        ASP   3 -14.254  -3.078   5.806
    2    HA   ASP   3           HA       ASP   3 -15.485  -5.149   4.122
    3    HB2  ASP   3           HB2      ASP   3 -14.910  -2.305   3.441
    4    HB3  ASP   3           HB3      ASP   3 -14.632  -3.519   2.195

  No H/Q in entry =           4
  In of MODEL   13
    1    H    CYS   4           H        CYS   4 -13.964  -5.764   2.278
    2    HA   CYS   4           HA       CYS   4 -11.488  -6.583   3.412
    3    HB2  CYS   4           HB2      CYS   4 -12.973  -7.050   0.928
    4    HB3  CYS   4           HB3      CYS   4 -11.226  -7.048   0.712

  No H/Q in entry =           4
  In of MODEL   13
    1    H    THR   5           H        THR   5 -12.467  -3.956   1.332
    2    HA   THR   5           HA       THR   5 -11.363  -2.119   0.562
    3    HB   THR   5           HB       THR   5  -8.875  -2.514   2.059
    4    HG1  THR   5           HG1      THR   5  -9.892  -3.419   3.685
    5   HG21  THR   5          HG21      THR   5 -10.342  -0.362   1.183
    6   HG23  THR   5          HG22      THR   5  -8.977  -0.312   2.298
    7   HG22  THR   5          HG23      THR   5 -10.625  -0.374   2.924

  No H/Q in entry =           7
  In of MODEL   13
    1    H    THR   6           H        THR   6 -10.503  -1.998  -1.401
    2    HA   THR   6           HA       THR   6  -8.241  -3.768  -2.054
    3    HB   THR   6           HB       THR   6  -9.420  -3.355  -4.481
    4    HG1  THR   6           HG1      THR   6 -11.245  -2.391  -3.539
    5   HG22  THR   6          HG21      THR   6 -10.599  -5.618  -3.051
    6   HG21  THR   6          HG22      THR   6  -8.839  -5.531  -2.977
    7   HG23  THR   6          HG23      THR   6  -9.655  -5.574  -4.540

  No H/Q in entry =           7
  In of MODEL   13
    1    H    GLY   7           H        GLY   7  -6.988  -2.988  -3.990
    2    HA3  GLY   7           HA2      GLY   7  -6.870  -0.707  -5.290
    3    HA2  GLY   7           HA3      GLY   7  -6.523  -0.115  -3.672

  No H/Q in entry =           3
  In of MODEL   13
    1    HA   PRO   8           HA       PRO   8  -2.480  -1.206  -5.692
    2    HB2  PRO   8           HB2      PRO   8  -1.137   0.947  -4.693
    3    HB3  PRO   8           HB3      PRO   8  -2.032   0.982  -6.217
    4    HG2  PRO   8           HG2      PRO   8  -2.861   1.951  -3.509
    5    HG3  PRO   8           HG3      PRO   8  -3.091   2.717  -5.092
    6    HD2  PRO   8           HD2      PRO   8  -5.070   1.370  -3.839
    7    HD3  PRO   8           HD3      PRO   8  -4.912   1.396  -5.608

  No H/Q in entry =           7
  In of MODEL   13
    1    H    CYS   9           H        CYS   9  -3.461  -0.371  -2.449
    2    HA   CYS   9           HA       CYS   9  -1.169  -1.877  -1.371
    3    HB2  CYS   9           HB2      CYS   9  -1.352   0.509  -0.644
    4    HB3  CYS   9           HB3      CYS   9  -2.906   0.126   0.087

  No H/Q in entry =           4
  In of MODEL   13
    1    H    CYS  10           H        CYS  10  -3.699  -2.941  -2.440
    2    HA   CYS  10           HA       CYS  10  -4.353  -4.646  -0.186
    3    HB2  CYS  10           HB2      CYS  10  -6.485  -3.060  -1.631
    4    HB3  CYS  10           HB3      CYS  10  -6.781  -4.319  -0.436

  No H/Q in entry =           4
  In of MODEL   13
    1    H    ARG  11           H        ARG  11  -3.798  -6.521  -1.137
    2    HA   ARG  11           HA       ARG  11  -5.267  -7.292  -3.549
    3    HB2  ARG  11           HB2      ARG  11  -3.258  -8.244  -4.576
    4    HB3  ARG  11           HB3      ARG  11  -3.093  -6.510  -4.343
    5    HG2  ARG  11           HG2      ARG  11  -1.501  -6.741  -2.705
    6    HG3  ARG  11           HG3      ARG  11  -2.041  -8.361  -2.260
    7    HD2  ARG  11           HD2      ARG  11  -1.180  -9.185  -4.438
    8    HD3  ARG  11           HD3      ARG  11  -0.538  -7.574  -4.753
    9    HE   ARG  11           HE       ARG  11   0.441  -8.425  -2.282
   10   HH11  ARG  11          HH11      ARG  11   0.718  -9.274  -5.655
   11   HH12  ARG  11          HH12      ARG  11   2.324  -9.901  -5.494
   12   HH21  ARG  11          HH21      ARG  11   2.554  -9.249  -2.068
   13   HH22  ARG  11          HH22      ARG  11   3.366  -9.887  -3.458

  No H/Q in entry =          13
  In of MODEL   13
    1    H    GLN  12           H        GLN  12  -5.194  -7.953  -0.580
    2    HA   GLN  12           HA       GLN  12  -5.372 -10.837  -0.939
    3    HB2  GLN  12           HB2      GLN  12  -3.460  -9.459   0.905
    4    HB3  GLN  12           HB3      GLN  12  -4.109 -11.037   1.326
    5    HG2  GLN  12           HG2      GLN  12  -3.298 -11.522  -1.192
    6    HG3  GLN  12           HG3      GLN  12  -2.135 -10.283  -0.721
    7   HE21  GLN  12          HE21      GLN  12  -0.464 -11.817  -0.817
    8   HE22  GLN  12          HE22      GLN  12  -0.242 -12.988   0.433

  No H/Q in entry =           8
  In of MODEL   13
    1    H    CYS  13           H        CYS  13  -6.990  -8.300  -0.179
    2    HA   CYS  13           HA       CYS  13  -8.876  -7.889   1.021
    3    HB2  CYS  13           HB2      CYS  13  -8.601 -10.778   1.146
    4    HB3  CYS  13           HB3      CYS  13  -9.344 -10.140   2.609

  No H/Q in entry =           4
  In of MODEL   13
    1    H    LYS  14           H        LYS  14  -6.031  -7.686   2.090
    2    HA   LYS  14           HA       LYS  14  -6.797  -6.846   4.747
    3    HB2  LYS  14           HB2      LYS  14  -5.866  -9.372   4.605
    4    HB3  LYS  14           HB3      LYS  14  -4.339  -8.507   4.720
    5    HG2  LYS  14           HG2      LYS  14  -6.627  -8.321   6.670
    6    HG3  LYS  14           HG3      LYS  14  -5.121  -9.209   6.909
    7    HD2  LYS  14           HD2      LYS  14  -4.432  -7.324   7.922
    8    HD3  LYS  14           HD3      LYS  14  -4.185  -6.736   6.276
    9    HE2  LYS  14           HE2      LYS  14  -5.943  -5.324   6.378
   10    HE3  LYS  14           HE3      LYS  14  -6.917  -6.440   7.336
   11    HZ2  LYS  14           HZ1      LYS  14  -5.885  -4.204   8.312
   12    HZ1  LYS  14           HZ2      LYS  14  -4.618  -5.264   8.674
   13    HZ3  LYS  14           HZ3      LYS  14  -6.173  -5.574   9.263

  No H/Q in entry =          13
  In of MODEL   13
    1    H    LEU  15           H        LEU  15  -6.200  -4.785   4.472
    2    HA   LEU  15           HA       LEU  15  -4.422  -3.580   2.884
    3    HB2  LEU  15           HB2      LEU  15  -5.587  -2.971   5.460
    4    HB3  LEU  15           HB3      LEU  15  -3.985  -2.272   5.322
    5    HG   LEU  15           HG       LEU  15  -6.088  -1.862   3.210
    6   HD13  LEU  15          HD11      LEU  15  -7.041  -1.056   5.271
    7   HD12  LEU  15          HD12      LEU  15  -6.532   0.315   4.285
    8   HD11  LEU  15          HD13      LEU  15  -5.554  -0.193   5.661
    9   HD23  LEU  15          HD21      LEU  15  -4.069   0.184   3.771
   10   HD22  LEU  15          HD22      LEU  15  -4.616  -0.482   2.233
   11   HD21  LEU  15          HD23      LEU  15  -3.414  -1.347   3.190

  No H/Q in entry =          11
  In of MODEL   13
    1    H    LYS  16           H        LYS  16  -2.359  -3.873   2.409
    2    HA   LYS  16           HA       LYS  16  -0.591  -5.554   3.643
    3    HB2  LYS  16           HB2      LYS  16   0.154  -3.010   2.188
    4    HB3  LYS  16           HB3      LYS  16   1.191  -4.408   2.434
    5    HG2  LYS  16           HG2      LYS  16  -0.416  -5.759   1.104
    6    HG3  LYS  16           HG3      LYS  16  -1.306  -4.274   0.761
    7    HD2  LYS  16           HD2      LYS  16   0.239  -3.536  -0.713
    8    HD3  LYS  16           HD3      LYS  16   1.590  -4.176   0.225
    9    HE2  LYS  16           HE2      LYS  16  -0.178  -6.180  -1.019
   10    HE3  LYS  16           HE3      LYS  16   0.771  -5.198  -2.134
   11    HZ3  LYS  16           HZ1      LYS  16   2.762  -5.950  -1.211
   12    HZ2  LYS  16           HZ2      LYS  16   1.806  -7.342  -1.298
   13    HZ1  LYS  16           HZ3      LYS  16   2.014  -6.551   0.183

  No H/Q in entry =          13
  In of MODEL   13
    1    HA   PRO  17           HA       PRO  17   0.743  -3.707   7.418
    2    HB2  PRO  17           HB2      PRO  17   3.385  -4.446   7.443
    3    HB3  PRO  17           HB3      PRO  17   2.051  -5.527   7.861
    4    HG2  PRO  17           HG2      PRO  17   3.554  -5.276   5.287
    5    HG3  PRO  17           HG3      PRO  17   3.008  -6.739   6.128
    6    HD2  PRO  17           HD2      PRO  17   1.688  -5.749   4.004
    7    HD3  PRO  17           HD3      PRO  17   0.836  -6.525   5.355

  No H/Q in entry =           7
  In of MODEL   13
    1    H    ALA  18           H        ALA  18   1.340  -1.706   7.989
    2    HA   ALA  18           HA       ALA  18   2.132   0.267   6.265
    3    HB1  ALA  18           HB1      ALA  18   2.850   0.184   9.192
    4    HB3  ALA  18           HB2      ALA  18   1.256   0.606   8.566
    5    HB2  ALA  18           HB3      ALA  18   2.649   1.617   8.183

  No H/Q in entry =           5
  In of MODEL   13
    1    H    GLY  19           H        GLY  19   4.188   1.548   6.283
    2    HA3  GLY  19           HA2      GLY  19   6.434   1.690   5.834
    3    HA2  GLY  19           HA3      GLY  19   6.650   0.469   7.080

  No H/Q in entry =           3
  In of MODEL   13
    1    H    THR  20           H        THR  20   4.613  -0.395   4.458
    2    HA   THR  20           HA       THR  20   6.815  -1.898   3.207
    3    HB   THR  20           HB       THR  20   3.972  -2.875   3.513
    4    HG1  THR  20           HG1      THR  20   6.280  -3.601   4.990
    5   HG21  THR  20          HG21      THR  20   5.745  -3.751   1.709
    6   HG23  THR  20          HG22      THR  20   4.542  -4.784   2.481
    7   HG22  THR  20          HG23      THR  20   6.197  -4.750   3.090

  No H/Q in entry =           7
  In of MODEL   13
    1    H    THR  21           H        THR  21   7.012  -1.653   1.066
    2    HA   THR  21           HA       THR  21   5.597   0.279  -0.347
    3    HB   THR  21           HB       THR  21   7.844  -0.603  -0.959
    4    HG1  THR  21           HG1      THR  21   7.453   0.187  -2.848
    5   HG23  THR  21          HG21      THR  21   8.239  -2.690  -1.573
    6   HG22  THR  21          HG22      THR  21   6.869  -2.699  -2.684
    7   HG21  THR  21          HG23      THR  21   6.624  -3.076  -0.978

  No H/Q in entry =           7
  In of MODEL   13
    1    H    CYS  22           H        CYS  22   3.698   0.319  -1.320
    2    HA   CYS  22           HA       CYS  22   2.232  -2.210  -1.617
    3    HB2  CYS  22           HB2      CYS  22   0.224  -0.636  -1.816
    4    HB3  CYS  22           HB3      CYS  22   0.987  -0.764  -0.236

  No H/Q in entry =           4
  In of MODEL   13
    1    H    TRP  23           H        TRP  23   3.445   0.562  -3.324
    2    HA   TRP  23           HA       TRP  23   2.082  -0.235  -5.776
    3    HB2  TRP  23           HB2      TRP  23   2.556   2.230  -4.776
    4    HB3  TRP  23           HB3      TRP  23   3.962   2.046  -5.820
    5    HD1  TRP  23           HD1      TRP  23   1.629   0.151  -7.666
    6    HE1  TRP  23           HE1      TRP  23   0.363   1.543  -9.422
    7    HE3  TRP  23           HE3      TRP  23   2.636   4.821  -5.874
    8    HZ2  TRP  23           HZ2      TRP  23  -0.145   4.259  -9.968
    9    HZ3  TRP  23           HZ3      TRP  23   1.728   6.768  -7.073
   10    HH2  TRP  23           HH2      TRP  23   0.367   6.490  -9.080

  No H/Q in entry =          10
  In of MODEL   13
    1    H    LYS  24           H        LYS  24   5.376   0.883  -5.087
    2    HA   LYS  24           HA       LYS  24   7.409   0.226  -5.866
    3    HB2  LYS  24           HB2      LYS  24   6.602  -1.900  -4.712
    4    HB3  LYS  24           HB3      LYS  24   6.186  -2.493  -6.314
    5    HG2  LYS  24           HG2      LYS  24   8.704  -1.792  -6.797
    6    HG3  LYS  24           HG3      LYS  24   8.838  -2.096  -5.064
    7    HD2  LYS  24           HD2      LYS  24   9.297  -4.182  -5.936
    8    HD3  LYS  24           HD3      LYS  24   7.562  -4.298  -5.638
    9    HE2  LYS  24           HE2      LYS  24   7.666  -5.108  -7.777
   10    HE3  LYS  24           HE3      LYS  24   7.406  -3.394  -8.100
   11    HZ1  LYS  24           HZ1      LYS  24  10.081  -4.678  -8.027
   12    HZ3  LYS  24           HZ2      LYS  24   9.720  -3.102  -8.522
   13    HZ2  LYS  24           HZ3      LYS  24   9.195  -4.418  -9.445

  No H/Q in entry =          13
  In of MODEL   13
    1    H    THR  25           H        THR  25   5.343   1.209  -7.739
    2    HA   THR  25           HA       THR  25   5.395  -0.174 -10.173
    3    HB   THR  25           HB       THR  25   5.265   2.831  -9.913
    4    HG1  THR  25           HG1      THR  25   3.116   1.012  -9.625
    5   HG23  THR  25          HG21      THR  25   4.024   2.859 -11.855
    6   HG22  THR  25          HG22      THR  25   3.619   1.146 -11.744
    7   HG21  THR  25          HG23      THR  25   5.251   1.639 -12.194

  No H/Q in entry =           7
  In of MODEL   13
    1    H    SER  26           H        SER  26   6.833  -0.317 -11.796
    2    HA   SER  26           HA       SER  26   9.525   0.122 -11.446
    3    HB2  SER  26           HB2      SER  26   9.813  -0.408 -13.730
    4    HB3  SER  26           HB3      SER  26   8.333  -1.244 -13.262
    5    HG   SER  26           HG       SER  26   7.671  -0.232 -15.022

  No H/Q in entry =           5
  In of MODEL   13
    1    H    VAL  27           H        VAL  27   7.086   2.385 -12.433
    2    HA   VAL  27           HA       VAL  27   9.095   4.365 -13.204
    3    HB   VAL  27           HB       VAL  27   7.146   4.102 -14.677
    4   HG12  VAL  27          HG11      VAL  27   4.947   5.049 -13.807
    5   HG11  VAL  27          HG12      VAL  27   5.622   4.831 -12.192
    6   HG13  VAL  27          HG13      VAL  27   5.401   3.438 -13.251
    7   HG23  VAL  27          HG21      VAL  27   6.979   6.775 -13.308
    8   HG22  VAL  27          HG22      VAL  27   6.715   6.401 -15.011
    9   HG21  VAL  27          HG23      VAL  27   8.339   6.308 -14.329

  No H/Q in entry =           9
  In of MODEL   13
    1    H    SER  28           H        SER  28   7.014   3.531 -10.573
    2    HA   SER  28           HA       SER  28   8.105   5.675  -8.989
    3    HB2  SER  28           HB2      SER  28   5.105   5.599  -9.142
    4    HB3  SER  28           HB3      SER  28   6.154   6.887  -8.548
    5    HG   SER  28           HG       SER  28   5.102   6.748 -10.903

  No H/Q in entry =           5
  In of MODEL   13
    1    H    SER  29           H        SER  29   8.758   4.504  -7.297
    2    HA   SER  29           HA       SER  29   7.014   2.394  -6.248
    3    HB2  SER  29           HB2      SER  29   9.007   1.721  -4.919
    4    HB3  SER  29           HB3      SER  29   9.327   1.732  -6.653
    5    HG   SER  29           HG       SER  29  10.677   3.348  -6.405

  No H/Q in entry =           5
  In of MODEL   13
    1    H    HIS  30           H        HIS  30   6.011   2.547  -4.315
    2    HA   HIS  30           HA       HIS  30   6.682   4.841  -2.597
    3    HB2  HIS  30           HB2      HIS  30   3.873   3.917  -3.225
    4    HB3  HIS  30           HB3      HIS  30   4.330   5.299  -2.233
    5    HD1  HIS  30           HD1      HIS  30   3.777   7.352  -3.490
    6    HD2  HIS  30           HD2      HIS  30   5.337   4.408  -5.967
    7    HE1  HIS  30           HE1      HIS  30   3.902   8.391  -5.777
    8    HE2  HIS  30           HE2      HIS  30   4.698   6.538  -7.278

  No H/Q in entry =           8
  In of MODEL   13
    1    H    TYR  31           H        TYR  31   5.554   4.627  -0.406
    2    HA   TYR  31           HA       TYR  31   5.657   1.819   0.478
    3    HB2  TYR  31           HB2      TYR  31   7.064   4.193   1.456
    4    HB3  TYR  31           HB3      TYR  31   6.241   3.297   2.729
    5    HD1  TYR  31           HD1      TYR  31   7.949   2.072  -0.352
    6    HD2  TYR  31           HD2      TYR  31   7.906   2.178   3.901
    7    HE1  TYR  31           HE1      TYR  31   9.803   0.457  -0.298
    8    HE2  TYR  31           HE2      TYR  31   9.760   0.564   3.967
    9    HH   TYR  31           HH       TYR  31  11.599  -0.189   2.491

  No H/Q in entry =           9
  In of MODEL   13
    1    H    CYS  32           H        CYS  32   3.960   1.071   1.645
    2    HA   CYS  32           HA       CYS  32   1.706   2.857   1.995
    3    HB2  CYS  32           HB2      CYS  32   1.742   0.328   1.203
    4    HB3  CYS  32           HB3      CYS  32   1.638   0.026   2.934

  No H/Q in entry =           4
  In of MODEL   13
    1    H    THR  33           H        THR  33   0.439   2.748   4.036
    2    HA   THR  33           HA       THR  33   2.228   2.662   6.374
    3    HB   THR  33           HB       THR  33   1.211   4.573   7.277
    4    HG1  THR  33           HG1      THR  33  -0.734   5.413   6.492
    5   HG22  THR  33          HG21      THR  33   1.080   5.200   4.343
    6   HG21  THR  33          HG22      THR  33   2.584   5.107   5.259
    7   HG23  THR  33          HG23      THR  33   1.369   6.314   5.680

  No H/Q in entry =           7
  In of MODEL   13
    1    H    GLY  34           H        GLY  34   0.272   0.697   5.091
    2    HA3  GLY  34           HA2      GLY  34  -1.378  -0.771   5.749
    3    HA2  GLY  34           HA3      GLY  34  -0.570  -0.676   7.305

  No H/Q in entry =           3
  In of MODEL   13
    1    H    ARG  35           H        ARG  35  -2.497   1.720   5.510
    2    HA   ARG  35           HA       ARG  35  -4.454   1.680   7.699
    3    HB2  ARG  35           HB2      ARG  35  -2.859   3.976   6.687
    4    HB3  ARG  35           HB3      ARG  35  -4.537   4.282   7.112
    5    HG2  ARG  35           HG2      ARG  35  -4.016   3.192   9.344
    6    HG3  ARG  35           HG3      ARG  35  -2.317   3.314   8.882
    7    HD2  ARG  35           HD2      ARG  35  -2.302   5.602   9.015
    8    HD3  ARG  35           HD3      ARG  35  -4.025   5.741   8.665
    9    HE   ARG  35           HE       ARG  35  -4.440   5.649  10.906
   10   HH11  ARG  35          HH11      ARG  35  -1.232   4.402  10.325
   11   HH12  ARG  35          HH12      ARG  35  -0.846   4.264  12.007
   12   HH21  ARG  35          HH21      ARG  35  -3.932   5.469  13.119
   13   HH22  ARG  35          HH22      ARG  35  -2.378   4.870  13.594

  No H/Q in entry =          13
  In of MODEL   13
    1    H    SER  36           H        SER  36  -3.761   2.801   4.415
    2    HA   SER  36           HA       SER  36  -6.551   2.210   3.705
    3    HB2  SER  36           HB2      SER  36  -6.844   4.222   2.543
    4    HB3  SER  36           HB3      SER  36  -5.977   4.727   3.993
    5    HG   SER  36           HG       SER  36  -4.027   4.503   2.666

  No H/Q in entry =           5
  In of MODEL   13
    1    H    CYS  37           H        CYS  37  -6.878   1.801   1.397
    2    HA   CYS  37           HA       CYS  37  -4.873   0.085   0.353
    3    HB2  CYS  37           HB2      CYS  37  -7.432   1.171  -0.824
    4    HB3  CYS  37           HB3      CYS  37  -6.389   0.043  -1.682

  No H/Q in entry =           4
  In of MODEL   13
    1    H    GLU  38           H        GLU  38  -5.712   3.424  -0.147
    2    HA   GLU  38           HA       GLU  38  -4.316   3.814  -2.582
    3    HB2  GLU  38           HB2      GLU  38  -6.055   5.324  -1.263
    4    HB3  GLU  38           HB3      GLU  38  -4.586   6.038  -0.612
    5    HG2  GLU  38           HG2      GLU  38  -4.736   5.703  -3.546
    6    HG3  GLU  38           HG3      GLU  38  -5.771   6.929  -2.816

  No H/Q in entry =           6
  In of MODEL   13
    1    H    CYS  39           H        CYS  39  -2.272   4.699  -2.968
    2    HA   CYS  39           HA       CYS  39  -0.390   4.408  -0.722
    3    HB2  CYS  39           HB2      CYS  39   0.107   4.135  -3.695
    4    HB3  CYS  39           HB3      CYS  39   1.338   3.987  -2.444

  No H/Q in entry =           4
  In of MODEL   13
    1    HA   PRO  40           HA       PRO  40   0.504   8.738  -0.728
    2    HB2  PRO  40           HB2      PRO  40   3.339   7.868  -0.448
    3    HB3  PRO  40           HB3      PRO  40   2.403   8.991   0.545
    4    HG2  PRO  40           HG2      PRO  40   2.938   6.534   1.416
    5    HG3  PRO  40           HG3      PRO  40   1.362   7.286   1.725
    6    HD2  PRO  40           HD2      PRO  40   2.102   5.173  -0.250
    7    HD3  PRO  40           HD3      PRO  40   0.608   5.370   0.690

  No H/Q in entry =           7
  In of MODEL   13
    1    H    SER  41           H        SER  41   2.254  10.255  -1.715
    2    HA   SER  41           HA       SER  41   2.504   9.510  -4.540
    3    HB2  SER  41           HB2      SER  41   1.400  11.727  -3.540
    4    HB3  SER  41           HB3      SER  41   3.071  12.286  -3.617
    5    HG   SER  41           HG       SER  41   1.763  11.070  -5.813

  No H/Q in entry =           5
  In of MODEL   13
    1    H    TYR  42           H        TYR  42   4.372  10.302  -1.722
    2    HA   TYR  42           HA       TYR  42   6.827  10.580  -3.267
    3    HB2  TYR  42           HB2      TYR  42   7.883  11.173  -1.167
    4    HB3  TYR  42           HB3      TYR  42   6.393  12.092  -1.347
    5    HD1  TYR  42           HD1      TYR  42   8.083   9.435   0.522
    6    HD2  TYR  42           HD2      TYR  42   4.491  11.677   0.106
    7    HE1  TYR  42           HE1      TYR  42   7.332   8.628   2.720
    8    HE2  TYR  42           HE2      TYR  42   3.731  10.877   2.304
    9    HH   TYR  42           HH       TYR  42   4.461   8.516   3.756

  No H/Q in entry =           9
  In of MODEL   13
    1    HA   PRO  43           HA       PRO  43   8.023   6.358  -2.759
    2    HB2  PRO  43           HB2      PRO  43  10.714   6.577  -2.935
    3    HB3  PRO  43           HB3      PRO  43   9.650   6.791  -4.330
    4    HG2  PRO  43           HG2      PRO  43  10.938   8.864  -2.595
    5    HG3  PRO  43           HG3      PRO  43  10.786   8.822  -4.362
    6    HD2  PRO  43           HD2      PRO  43   9.148  10.300  -2.784
    7    HD3  PRO  43           HD3      PRO  43   8.614   9.587  -4.319

  No H/Q in entry =           7
  In of MODEL   13
    1    H    GLY  44           H        GLY  44   8.950   4.890  -1.280
    2    HA3  GLY  44           HA2      GLY  44   9.360   6.036   1.382
    3    HA2  GLY  44           HA3      GLY  44   9.006   4.353   1.023

  No H/Q in entry =           3
  In of MODEL   13
    1    H    ASN  45           H        ASN  45  11.475   6.760   1.365
    2    HA   ASN  45           HA       ASN  45  13.475   4.643   1.532
    3    HB2  ASN  45           HB2      ASN  45  13.300   5.964  -0.812
    4    HB3  ASN  45           HB3      ASN  45  14.365   7.060   0.062
    5   HD21  ASN  45          HD21      ASN  45  16.453   6.602   0.122
    6   HD22  ASN  45          HD22      ASN  45  17.167   5.097  -0.337

  No H/Q in entry =           6
  In of MODEL   13
    1    H    GLY  46           H        GLY  46  12.190   6.250   3.521
    2    HA3  GLY  46           HA2      GLY  46  14.338   8.082   4.356
    3    HA2  GLY  46           HA3      GLY  46  12.692   8.097   4.970

  No H/Q in entry =           3
  In of MODEL   14
    1    H1   ALA   1           H2       ALA   1 -14.574  -1.238   8.852
    2    H2   ALA   1           H1       ALA   1 -16.162  -1.661   8.355
    3    H3   ALA   1           H3       ALA   1 -15.934  -0.621   9.698
    4    HA   ALA   1           HA       ALA   1 -15.126  -2.285  11.023
    5    HB2  ALA   1           HB1      ALA   1 -17.009  -3.531  11.291
    6    HB3  ALA   1           HB2      ALA   1 -17.139  -3.909   9.573
    7    HB1  ALA   1           HB3      ALA   1 -17.640  -2.326  10.168

  No H/Q in entry =           7
  In of MODEL   14
    1    H    MET   2           H        MET   2 -15.890  -3.996   7.986
    2    HA   MET   2           HA       MET   2 -13.275  -5.316   8.139
    3    HB2  MET   2           HB2      MET   2 -15.957  -6.675   7.904
    4    HB3  MET   2           HB3      MET   2 -14.455  -7.461   7.438
    5    HG2  MET   2           HG2      MET   2 -13.802  -7.786   9.567
    6    HG3  MET   2           HG3      MET   2 -14.497  -6.266  10.128
    7    HE3  MET   2           HE1      MET   2 -17.112  -9.255   8.440
    8    HE2  MET   2           HE2      MET   2 -16.285 -10.326   9.570
    9    HE1  MET   2           HE3      MET   2 -15.355  -9.400   8.392

  No H/Q in entry =           9
  In of MODEL   14
    1    H    ASP   3           H        ASP   3 -14.162  -3.174   6.466
    2    HA   ASP   3           HA       ASP   3 -14.587  -4.396   3.850
    3    HB2  ASP   3           HB2      ASP   3 -14.809  -1.633   4.956
    4    HB3  ASP   3           HB3      ASP   3 -14.489  -1.816   3.234

  No H/Q in entry =           4
  In of MODEL   14
    1    H    CYS   4           H        CYS   4 -13.266  -3.570   2.007
    2    HA   CYS   4           HA       CYS   4 -10.532  -2.831   2.739
    3    HB2  CYS   4           HB2      CYS   4  -9.786  -4.585   0.979
    4    HB3  CYS   4           HB3      CYS   4 -10.148  -5.109   2.618

  No H/Q in entry =           4
  In of MODEL   14
    1    H    THR   5           H        THR   5  -9.286  -1.980   0.996
    2    HA   THR   5           HA       THR   5 -10.956  -0.941  -1.192
    3    HB   THR   5           HB       THR   5  -8.342   0.280  -0.389
    4    HG1  THR   5           HG1      THR   5  -9.588   0.139   1.515
    5   HG22  THR   5          HG21      THR   5 -10.334   2.190  -0.934
    6   HG21  THR   5          HG22      THR   5 -10.421   0.965  -2.199
    7   HG23  THR   5          HG23      THR   5  -8.900   1.800  -1.884

  No H/Q in entry =           7
  In of MODEL   14
    1    H    THR   6           H        THR   6 -10.532  -2.996  -2.297
    2    HA   THR   6           HA       THR   6  -8.168  -4.127  -2.991
    3    HB   THR   6           HB       THR   6  -9.459  -4.332  -5.370
    4    HG1  THR   6           HG1      THR   6 -11.626  -4.152  -5.054
    5   HG23  THR   6          HG21      THR   6  -9.830  -6.424  -4.731
    6   HG22  THR   6          HG22      THR   6 -10.839  -5.919  -3.375
    7   HG21  THR   6          HG23      THR   6  -9.085  -5.971  -3.198

  No H/Q in entry =           7
  In of MODEL   14
    1    H    GLY   7           H        GLY   7  -6.420  -2.816  -3.293
    2    HA3  GLY   7           HA2      GLY   7  -6.197  -1.578  -5.901
    3    HA2  GLY   7           HA3      GLY   7  -6.099  -0.459  -4.549

  No H/Q in entry =           3
  In of MODEL   14
    1    HA   PRO   8           HA       PRO   8  -1.780  -1.794  -5.373
    2    HB2  PRO   8           HB2      PRO   8  -0.663   0.566  -4.595
    3    HB3  PRO   8           HB3      PRO   8  -1.266   0.266  -6.228
    4    HG2  PRO   8           HG2      PRO   8  -2.566   1.716  -3.963
    5    HG3  PRO   8           HG3      PRO   8  -2.533   2.128  -5.685
    6    HD2  PRO   8           HD2      PRO   8  -4.672   0.964  -4.490
    7    HD3  PRO   8           HD3      PRO   8  -4.248   0.681  -6.190

  No H/Q in entry =           7
  In of MODEL   14
    1    H    CYS   9           H        CYS   9  -3.405  -0.595  -2.548
    2    HA   CYS   9           HA       CYS   9  -1.233  -1.659  -0.857
    3    HB2  CYS   9           HB2      CYS   9  -2.738   0.804  -0.708
    4    HB3  CYS   9           HB3      CYS   9  -2.942  -0.130   0.767

  No H/Q in entry =           4
  In of MODEL   14
    1    H    CYS  10           H        CYS  10  -3.616  -3.012  -2.136
    2    HA   CYS  10           HA       CYS  10  -4.579  -4.303   0.312
    3    HB2  CYS  10           HB2      CYS  10  -6.155  -2.554  -1.091
    4    HB3  CYS  10           HB3      CYS  10  -6.604  -4.098  -1.802

  No H/Q in entry =           4
  In of MODEL   14
    1    H    ARG  11           H        ARG  11  -3.889  -6.335   0.152
    2    HA   ARG  11           HA       ARG  11  -4.276  -7.732  -2.409
    3    HB2  ARG  11           HB2      ARG  11  -1.832  -7.067  -1.652
    4    HB3  ARG  11           HB3      ARG  11  -1.995  -8.498  -0.645
    5    HG2  ARG  11           HG2      ARG  11  -0.934  -9.175  -2.646
    6    HG3  ARG  11           HG3      ARG  11  -2.592  -9.774  -2.720
    7    HD2  ARG  11           HD2      ARG  11  -3.230  -7.973  -4.183
    8    HD3  ARG  11           HD3      ARG  11  -1.647  -7.218  -4.008
    9    HE   ARG  11           HE       ARG  11  -1.373  -9.847  -5.011
   10   HH11  ARG  11          HH11      ARG  11  -2.386  -6.649  -5.974
   11   HH12  ARG  11          HH12      ARG  11  -1.992  -6.891  -7.643
   12   HH21  ARG  11          HH21      ARG  11  -0.854 -10.166  -7.206
   13   HH22  ARG  11          HH22      ARG  11  -1.123  -8.888  -8.343

  No H/Q in entry =          13
  In of MODEL   14
    1    H    GLN  12           H        GLN  12  -5.186  -7.606   0.755
    2    HA   GLN  12           HA       GLN  12  -6.040 -10.397   0.689
    3    HB2  GLN  12           HB2      GLN  12  -4.400  -9.137   2.869
    4    HB3  GLN  12           HB3      GLN  12  -5.429 -10.528   3.179
    5    HG2  GLN  12           HG2      GLN  12  -4.072 -11.403   1.021
    6    HG3  GLN  12           HG3      GLN  12  -2.865 -10.348   1.755
    7   HE21  GLN  12          HE21      GLN  12  -1.529 -11.405   3.016
    8   HE22  GLN  12          HE22      GLN  12  -1.917 -12.756   4.021

  No H/Q in entry =           8
  In of MODEL   14
    1    H    CYS  13           H        CYS  13  -7.043  -7.381   0.800
    2    HA   CYS  13           HA       CYS  13  -8.969  -6.374   1.419
    3    HB2  CYS  13           HB2      CYS  13 -10.004  -8.564   0.852
    4    HB3  CYS  13           HB3      CYS  13  -9.781  -9.070   2.522

  No H/Q in entry =           4
  In of MODEL   14
    1    H    LYS  14           H        LYS  14  -6.600  -6.855   3.287
    2    HA   LYS  14           HA       LYS  14  -7.879  -5.664   5.600
    3    HB2  LYS  14           HB2      LYS  14  -7.553  -8.295   5.788
    4    HB3  LYS  14           HB3      LYS  14  -5.913  -7.821   6.210
    5    HG2  LYS  14           HG2      LYS  14  -6.848  -6.376   7.997
    6    HG3  LYS  14           HG3      LYS  14  -8.447  -7.020   7.620
    7    HD2  LYS  14           HD2      LYS  14  -6.096  -8.745   8.377
    8    HD3  LYS  14           HD3      LYS  14  -7.265  -8.127   9.546
    9    HE2  LYS  14           HE2      LYS  14  -8.136  -9.673   7.127
   10    HE3  LYS  14           HE3      LYS  14  -7.620 -10.491   8.601
   11    HZ3  LYS  14           HZ1      LYS  14  -9.442  -9.790   9.740
   12    HZ2  LYS  14           HZ2      LYS  14 -10.118  -9.854   8.191
   13    HZ1  LYS  14           HZ3      LYS  14  -9.624  -8.371   8.836

  No H/Q in entry =          13
  In of MODEL   14
    1    H    LEU  15           H        LEU  15  -6.462  -4.370   3.808
    2    HA   LEU  15           HA       LEU  15  -4.700  -2.971   3.456
    3    HB2  LEU  15           HB2      LEU  15  -4.124  -3.172   6.389
    4    HB3  LEU  15           HB3      LEU  15  -3.920  -1.795   5.323
    5    HG   LEU  15           HG       LEU  15  -6.543  -2.926   6.297
    6   HD11  LEU  15          HD11      LEU  15  -4.783  -0.722   7.156
    7   HD13  LEU  15          HD12      LEU  15  -5.936  -1.685   8.080
    8   HD12  LEU  15          HD13      LEU  15  -6.506  -0.356   7.072
    9   HD21  LEU  15          HD21      LEU  15  -5.892  -1.243   4.020
   10   HD23  LEU  15          HD22      LEU  15  -7.015  -0.465   5.136
   11   HD22  LEU  15          HD23      LEU  15  -7.408  -2.038   4.444

  No H/Q in entry =          11
  In of MODEL   14
    1    H    LYS  16           H        LYS  16  -2.626  -3.053   2.820
    2    HA   LYS  16           HA       LYS  16  -1.201  -5.515   3.140
    3    HB2  LYS  16           HB2      LYS  16  -1.235  -3.608   1.207
    4    HB3  LYS  16           HB3      LYS  16   0.244  -3.177   2.054
    5    HG2  LYS  16           HG2      LYS  16   1.180  -5.339   1.666
    6    HG3  LYS  16           HG3      LYS  16  -0.349  -5.940   1.021
    7    HD2  LYS  16           HD2      LYS  16   0.725  -3.547  -0.313
    8    HD3  LYS  16           HD3      LYS  16   1.693  -5.010  -0.499
    9    HE2  LYS  16           HE2      LYS  16  -0.048  -6.171  -1.541
   10    HE3  LYS  16           HE3      LYS  16  -1.269  -5.036  -0.965
   11    HZ2  LYS  16           HZ1      LYS  16   0.496  -4.853  -3.270
   12    HZ1  LYS  16           HZ2      LYS  16   0.231  -3.412  -2.424
   13    HZ3  LYS  16           HZ3      LYS  16  -1.079  -4.271  -3.062

  No H/Q in entry =          13
  In of MODEL   14
    1    HA   PRO  17           HA       PRO  17   1.041  -4.695   6.861
    2    HB2  PRO  17           HB2      PRO  17   3.468  -5.837   6.059
    3    HB3  PRO  17           HB3      PRO  17   2.134  -6.682   6.848
    4    HG2  PRO  17           HG2      PRO  17   2.844  -6.539   3.956
    5    HG3  PRO  17           HG3      PRO  17   2.176  -7.893   4.886
    6    HD2  PRO  17           HD2      PRO  17   0.641  -6.450   3.236
    7    HD3  PRO  17           HD3      PRO  17   0.011  -7.054   4.784

  No H/Q in entry =           7
  In of MODEL   14
    1    H    ALA  18           H        ALA  18   1.794  -2.751   7.388
    2    HA   ALA  18           HA       ALA  18   2.771  -0.797   5.764
    3    HB1  ALA  18           HB1      ALA  18   3.525  -1.283   8.643
    4    HB3  ALA  18           HB2      ALA  18   2.132  -0.372   8.060
    5    HB2  ALA  18           HB3      ALA  18   3.764   0.231   7.770

  No H/Q in entry =           5
  In of MODEL   14
    1    H    GLY  19           H        GLY  19   5.000   0.181   5.721
    2    HA3  GLY  19           HA2      GLY  19   7.208   0.032   5.106
    3    HA2  GLY  19           HA3      GLY  19   7.317  -1.329   6.214

  No H/Q in entry =           3
  In of MODEL   14
    1    H    THR  20           H        THR  20   5.006  -1.523   3.669
    2    HA   THR  20           HA       THR  20   6.794  -3.322   2.172
    3    HB   THR  20           HB       THR  20   3.809  -3.599   2.582
    4    HG1  THR  20           HG1      THR  20   4.309  -4.793   4.214
    5   HG21  THR  20          HG21      THR  20   5.014  -4.495   0.409
    6   HG23  THR  20          HG22      THR  20   3.760  -5.419   1.237
    7   HG22  THR  20          HG23      THR  20   5.461  -5.804   1.504

  No H/Q in entry =           7
  In of MODEL   14
    1    H    THR  21           H        THR  21   7.108  -2.796   0.110
    2    HA   THR  21           HA       THR  21   6.168  -0.458  -1.039
    3    HB   THR  21           HB       THR  21   6.748  -2.365  -3.107
    4    HG1  THR  21           HG1      THR  21   8.196  -3.567  -2.218
    5   HG21  THR  21          HG21      THR  21   8.135   0.007  -1.939
    6   HG23  THR  21          HG22      THR  21   7.381  -0.178  -3.523
    7   HG22  THR  21          HG23      THR  21   8.907  -0.991  -3.172

  No H/Q in entry =           7
  In of MODEL   14
    1    H    CYS  22           H        CYS  22   4.157   0.071  -1.533
    2    HA   CYS  22           HA       CYS  22   2.285  -2.012  -2.383
    3    HB2  CYS  22           HB2      CYS  22   0.563  -0.190  -2.089
    4    HB3  CYS  22           HB3      CYS  22   1.406  -0.665  -0.619

  No H/Q in entry =           4
  In of MODEL   14
    1    H    TRP  23           H        TRP  23   4.399  -0.973  -4.139
    2    HA   TRP  23           HA       TRP  23   2.911  -0.721  -6.499
    3    HB2  TRP  23           HB2      TRP  23   2.901   1.650  -5.131
    4    HB3  TRP  23           HB3      TRP  23   4.284   1.859  -6.200
    5    HD1  TRP  23           HD1      TRP  23   2.145  -0.219  -8.172
    6    HE1  TRP  23           HE1      TRP  23   0.637   1.148  -9.747
    7    HE3  TRP  23           HE3      TRP  23   2.672   4.360  -6.002
    8    HZ2  TRP  23           HZ2      TRP  23  -0.217   3.821 -10.021
    9    HZ3  TRP  23           HZ3      TRP  23   1.484   6.281  -6.980
   10    HH2  TRP  23           HH2      TRP  23   0.074   6.013  -8.954

  No H/Q in entry =          10
  In of MODEL   14
    1    H    LYS  24           H        LYS  24   5.903   0.564  -5.106
    2    HA   LYS  24           HA       LYS  24   8.056   0.556  -5.846
    3    HB2  LYS  24           HB2      LYS  24   8.978  -1.605  -6.253
    4    HB3  LYS  24           HB3      LYS  24   7.703  -1.788  -5.060
    5    HG2  LYS  24           HG2      LYS  24   6.247  -2.788  -6.613
    6    HG3  LYS  24           HG3      LYS  24   7.241  -2.289  -7.983
    7    HD2  LYS  24           HD2      LYS  24   7.805  -4.520  -7.775
    8    HD3  LYS  24           HD3      LYS  24   9.074  -3.737  -6.830
    9    HE2  LYS  24           HE2      LYS  24   7.898  -4.217  -4.777
   10    HE3  LYS  24           HE3      LYS  24   6.534  -4.880  -5.676
   11    HZ2  LYS  24           HZ1      LYS  24   8.480  -6.374  -4.675
   12    HZ1  LYS  24           HZ2      LYS  24   9.127  -6.081  -6.210
   13    HZ3  LYS  24           HZ3      LYS  24   7.607  -6.808  -6.059

  No H/Q in entry =          13
  In of MODEL   14
    1    H    THR  25           H        THR  25   6.040   1.482  -7.750
    2    HA   THR  25           HA       THR  25   6.529   0.564 -10.349
    3    HB   THR  25           HB       THR  25   5.575   3.229  -9.292
    4    HG1  THR  25           HG1      THR  25   4.308   1.030 -10.544
    5   HG22  THR  25          HG21      THR  25   4.668   3.187 -11.835
    6   HG21  THR  25          HG22      THR  25   6.291   2.529 -12.044
    7   HG23  THR  25          HG23      THR  25   6.069   4.106 -11.286

  No H/Q in entry =           7
  In of MODEL   14
    1    H    SER  26           H        SER  26   8.204   0.768 -11.672
    2    HA   SER  26           HA       SER  26  10.686   1.684 -10.943
    3    HB2  SER  26           HB2      SER  26  10.120   0.229 -12.923
    4    HB3  SER  26           HB3      SER  26   9.671   1.699 -13.789
    5    HG   SER  26           HG       SER  26  11.883   0.955 -14.102

  No H/Q in entry =           5
  In of MODEL   14
    1    H    VAL  27           H        VAL  27   8.006   3.549 -12.111
    2    HA   VAL  27           HA       VAL  27   9.738   5.913 -12.363
    3    HB   VAL  27           HB       VAL  27   8.367   5.371 -14.349
    4   HG11  VAL  27          HG11      VAL  27   6.081   5.780 -12.434
    5   HG13  VAL  27          HG12      VAL  27   6.437   4.359 -13.416
    6   HG12  VAL  27          HG13      VAL  27   5.899   5.851 -14.187
    7   HG22  VAL  27          HG21      VAL  27   7.898   7.561 -14.846
    8   HG21  VAL  27          HG22      VAL  27   8.957   7.766 -13.451
    9   HG23  VAL  27          HG23      VAL  27   7.208   7.890 -13.256

  No H/Q in entry =           9
  In of MODEL   14
    1    H    SER  28           H        SER  28   8.528   4.616  -9.883
    2    HA   SER  28           HA       SER  28   7.845   7.061  -8.573
    3    HB2  SER  28           HB2      SER  28   5.711   5.661  -9.749
    4    HB3  SER  28           HB3      SER  28   5.612   5.314  -8.024
    5    HG   SER  28           HG       SER  28   4.854   7.505  -9.262

  No H/Q in entry =           5
  In of MODEL   14
    1    H    SER  29           H        SER  29   6.770   3.761  -7.897
    2    HA   SER  29           HA       SER  29   7.261   2.288  -6.249
    3    HB2  SER  29           HB2      SER  29   9.602   2.560  -7.072
    4    HB3  SER  29           HB3      SER  29   9.828   3.856  -5.897
    5    HG   SER  29           HG       SER  29  10.310   2.336  -4.544

  No H/Q in entry =           5
  In of MODEL   14
    1    H    HIS  30           H        HIS  30   6.055   2.368  -4.513
    2    HA   HIS  30           HA       HIS  30   6.512   4.509  -2.547
    3    HB2  HIS  30           HB2      HIS  30   3.824   3.361  -3.320
    4    HB3  HIS  30           HB3      HIS  30   4.115   4.662  -2.167
    5    HD1  HIS  30           HD1      HIS  30   3.295   6.746  -3.215
    6    HD2  HIS  30           HD2      HIS  30   5.304   4.333  -5.938
    7    HE1  HIS  30           HE1      HIS  30   3.350   8.055  -5.361
    8    HE2  HIS  30           HE2      HIS  30   4.417   6.507  -7.027

  No H/Q in entry =           8
  In of MODEL   14
    1    H    TYR  31           H        TYR  31   4.796   3.723  -0.582
    2    HA   TYR  31           HA       TYR  31   5.264   0.910  -0.003
    3    HB2  TYR  31           HB2      TYR  31   6.616   3.169   1.397
    4    HB3  TYR  31           HB3      TYR  31   6.082   1.800   2.366
    5    HD1  TYR  31           HD1      TYR  31   7.247  -0.271   2.314
    6    HD2  TYR  31           HD2      TYR  31   8.274   2.813  -0.431
    7    HE1  TYR  31           HE1      TYR  31   9.275  -1.512   1.687
    8    HE2  TYR  31           HE2      TYR  31  10.304   1.580  -1.066
    9    HH   TYR  31           HH       TYR  31  10.928  -1.125  -0.949

  No H/Q in entry =           9
  In of MODEL   14
    1    H    CYS  32           H        CYS  32   3.860   0.048   1.530
    2    HA   CYS  32           HA       CYS  32   1.473   1.610   1.997
    3    HB2  CYS  32           HB2      CYS  32   1.836  -1.011   1.433
    4    HB3  CYS  32           HB3      CYS  32   1.716  -1.093   3.187

  No H/Q in entry =           4
  In of MODEL   14
    1    H    THR  33           H        THR  33   0.590   2.090   4.018
    2    HA   THR  33           HA       THR  33   2.561   2.163   6.192
    3    HB   THR  33           HB       THR  33   1.476   4.072   7.033
    4    HG1  THR  33           HG1      THR  33  -0.705   3.526   5.307
    5   HG22  THR  33          HG21      THR  33   1.157   4.290   4.049
    6   HG21  THR  33          HG22      THR  33   2.633   4.615   4.958
    7   HG23  THR  33          HG23      THR  33   1.211   5.631   5.194

  No H/Q in entry =           7
  In of MODEL   14
    1    H    GLY  34           H        GLY  34   0.543  -0.026   5.333
    2    HA3  GLY  34           HA2      GLY  34  -0.892  -1.513   6.352
    3    HA2  GLY  34           HA3      GLY  34   0.130  -1.241   7.755

  No H/Q in entry =           3
  In of MODEL   14
    1    H    ARG  35           H        ARG  35  -1.744   1.352   6.374
    2    HA   ARG  35           HA       ARG  35  -3.530   1.236   8.715
    3    HB2  ARG  35           HB2      ARG  35  -1.780   3.216   8.210
    4    HB3  ARG  35           HB3      ARG  35  -3.157   3.811   7.292
    5    HG2  ARG  35           HG2      ARG  35  -3.674   4.770   9.261
    6    HG3  ARG  35           HG3      ARG  35  -4.397   3.192   9.582
    7    HD2  ARG  35           HD2      ARG  35  -1.564   3.907  10.314
    8    HD3  ARG  35           HD3      ARG  35  -2.930   4.102  11.412
    9    HE   ARG  35           HE       ARG  35  -3.118   1.515  10.656
   10   HH11  ARG  35          HH11      ARG  35  -0.502   3.434  11.941
   11   HH12  ARG  35          HH12      ARG  35   0.253   2.096  12.740
   12   HH21  ARG  35          HH21      ARG  35  -2.126  -0.246  11.706
   13   HH22  ARG  35          HH22      ARG  35  -0.668   0.006  12.606

  No H/Q in entry =          13
  In of MODEL   14
    1    H    SER  36           H        SER  36  -3.290   1.833   5.267
    2    HA   SER  36           HA       SER  36  -6.172   1.375   5.034
    3    HB2  SER  36           HB2      SER  36  -6.268   3.197   3.282
    4    HB3  SER  36           HB3      SER  36  -6.048   3.767   4.937
    5    HG   SER  36           HG       SER  36  -3.878   4.091   4.510

  No H/Q in entry =           5
  In of MODEL   14
    1    H    CYS  37           H        CYS  37  -6.742   1.137   2.601
    2    HA   CYS  37           HA       CYS  37  -4.738  -0.665   1.454
    3    HB2  CYS  37           HB2      CYS  37  -7.711  -0.486   1.318
    4    HB3  CYS  37           HB3      CYS  37  -6.862  -1.181  -0.056

  No H/Q in entry =           4
  In of MODEL   14
    1    H    GLU  38           H        GLU  38  -5.005   2.401   1.262
    2    HA   GLU  38           HA       GLU  38  -4.983   2.579  -1.678
    3    HB2  GLU  38           HB2      GLU  38  -6.563   4.001  -0.030
    4    HB3  GLU  38           HB3      GLU  38  -5.155   5.054  -0.054
    5    HG2  GLU  38           HG2      GLU  38  -6.320   4.049  -2.612
    6    HG3  GLU  38           HG3      GLU  38  -7.058   5.410  -1.769

  No H/Q in entry =           6
  In of MODEL   14
    1    H    CYS  39           H        CYS  39  -2.893   2.234  -2.204
    2    HA   CYS  39           HA       CYS  39  -0.618   2.913  -0.788
    3    HB2  CYS  39           HB2      CYS  39  -0.753   1.436  -2.821
    4    HB3  CYS  39           HB3      CYS  39  -0.846   2.892  -3.804

  No H/Q in entry =           4
  In of MODEL   14
    1    HA   PRO  40           HA       PRO  40  -0.764   7.380  -0.910
    2    HB2  PRO  40           HB2      PRO  40   1.846   7.767  -0.113
    3    HB3  PRO  40           HB3      PRO  40   0.495   7.478   0.987
    4    HG2  PRO  40           HG2      PRO  40   2.532   5.556  -0.059
    5    HG3  PRO  40           HG3      PRO  40   1.855   5.694   1.575
    6    HD2  PRO  40           HD2      PRO  40   1.026   3.797  -0.129
    7    HD3  PRO  40           HD3      PRO  40  -0.100   4.591   0.992

  No H/Q in entry =           7
  In of MODEL   14
    1    H    SER  41           H        SER  41   0.495   9.160  -1.907
    2    HA   SER  41           HA       SER  41   1.568   8.284  -4.489
    3    HB2  SER  41           HB2      SER  41   0.490  10.957  -3.567
    4    HB3  SER  41           HB3      SER  41   1.192  10.675  -5.160
    5    HG   SER  41           HG       SER  41  -1.118  10.480  -5.103

  No H/Q in entry =           5
  In of MODEL   14
    1    H    TYR  42           H        TYR  42   3.111   8.270  -1.967
    2    HA   TYR  42           HA       TYR  42   5.336   9.936  -2.903
    3    HB2  TYR  42           HB2      TYR  42   5.877  10.653  -0.668
    4    HB3  TYR  42           HB3      TYR  42   4.192  11.055  -0.982
    5    HD1  TYR  42           HD1      TYR  42   2.474  10.225   0.406
    6    HD2  TYR  42           HD2      TYR  42   6.398   8.612   0.726
    7    HE1  TYR  42           HE1      TYR  42   1.807   9.022   2.444
    8    HE2  TYR  42           HE2      TYR  42   5.742   7.404   2.764
    9    HH   TYR  42           HH       TYR  42   3.147   8.097   4.558

  No H/Q in entry =           9
  In of MODEL   14
    1    HA   PRO  43           HA       PRO  43   7.602   6.168  -2.419
    2    HB2  PRO  43           HB2      PRO  43  10.124   7.124  -2.381
    3    HB3  PRO  43           HB3      PRO  43   9.136   7.129  -3.847
    4    HG2  PRO  43           HG2      PRO  43   9.686   9.361  -1.927
    5    HG3  PRO  43           HG3      PRO  43   9.674   9.390  -3.700
    6    HD2  PRO  43           HD2      PRO  43   7.587  10.261  -2.191
    7    HD3  PRO  43           HD3      PRO  43   7.382   9.552  -3.805

  No H/Q in entry =           7
  In of MODEL   14
    1    H    GLY  44           H        GLY  44   8.601   4.913  -0.859
    2    HA3  GLY  44           HA2      GLY  44   8.239   5.635   1.832
    3    HA2  GLY  44           HA3      GLY  44   9.167   4.255   1.265

  No H/Q in entry =           3
  In of MODEL   14
    1    H    ASN  45           H        ASN  45  11.009   5.945  -0.284
    2    HA   ASN  45           HA       ASN  45  12.839   6.533   1.863
    3    HB2  ASN  45           HB2      ASN  45  13.076   6.687  -1.144
    4    HB3  ASN  45           HB3      ASN  45  14.380   7.155  -0.056
    5   HD21  ASN  45          HD21      ASN  45  15.477   5.589   1.092
    6   HD22  ASN  45          HD22      ASN  45  15.343   3.905   0.730

  No H/Q in entry =           6
  In of MODEL   14
    1    H    GLY  46           H        GLY  46  11.724   8.283   2.881
    2    HA3  GLY  46           HA2      GLY  46  11.680  10.790   1.334
    3    HA2  GLY  46           HA3      GLY  46  10.756  10.487   2.798

  No H/Q in entry =           3
  In of MODEL   15
    1    H1   ALA   1           H1       ALA   1 -19.493  -6.852   3.263
    2    H2   ALA   1           H3       ALA   1 -21.148  -7.294   3.320
    3    H3   ALA   1           H2       ALA   1 -20.684  -5.669   3.618
    4    HA   ALA   1           HA       ALA   1 -21.170  -6.616   5.661
    5    HB2  ALA   1           HB1      ALA   1 -20.431  -8.706   6.403
    6    HB3  ALA   1           HB2      ALA   1 -19.186  -8.809   5.159
    7    HB1  ALA   1           HB3      ALA   1 -20.886  -8.978   4.720

  No H/Q in entry =           7
  In of MODEL   15
    1    H    MET   2           H        MET   2 -17.839  -7.413   4.660
    2    HA   MET   2           HA       MET   2 -16.852  -5.618   6.755
    3    HB2  MET   2           HB2      MET   2 -16.104  -8.143   6.210
    4    HB3  MET   2           HB3      MET   2 -14.967  -7.283   5.182
    5    HG2  MET   2           HG2      MET   2 -14.647  -5.876   7.424
    6    HG3  MET   2           HG3      MET   2 -15.145  -7.414   8.126
    7    HE1  MET   2           HE1      MET   2 -14.211  -9.640   6.854
    8    HE3  MET   2           HE2      MET   2 -13.372  -9.505   8.399
    9    HE2  MET   2           HE3      MET   2 -12.467  -9.890   6.935

  No H/Q in entry =           9
  In of MODEL   15
    1    H    ASP   3           H        ASP   3 -16.724  -6.178   3.287
    2    HA   ASP   3           HA       ASP   3 -16.040  -4.883   1.547
    3    HB2  ASP   3           HB2      ASP   3 -16.583  -2.828   3.666
    4    HB3  ASP   3           HB3      ASP   3 -15.895  -2.340   2.121

  No H/Q in entry =           4
  In of MODEL   15
    1    H    CYS   4           H        CYS   4 -14.019  -5.482   1.024
    2    HA   CYS   4           HA       CYS   4 -11.746  -4.929   2.671
    3    HB2  CYS   4           HB2      CYS   4 -11.759  -5.792  -0.224
    4    HB3  CYS   4           HB3      CYS   4 -10.445  -5.969   0.933

  No H/Q in entry =           4
  In of MODEL   15
    1    H    THR   5           H        THR   5 -10.452  -3.213   2.674
    2    HA   THR   5           HA       THR   5 -11.078  -0.900   1.146
    3    HB   THR   5           HB       THR   5  -8.491  -1.330   2.614
    4    HG1  THR   5           HG1      THR   5 -10.982  -0.642   3.776
    5   HG22  THR   5          HG21      THR   5  -8.779   1.018   3.243
    6   HG21  THR   5          HG22      THR   5 -10.251   1.086   2.274
    7   HG23  THR   5          HG23      THR   5  -8.694   0.802   1.495

  No H/Q in entry =           7
  In of MODEL   15
    1    H    THR   6           H        THR   6 -10.918  -2.120  -0.961
    2    HA   THR   6           HA       THR   6  -8.631  -3.114  -2.096
    3    HB   THR   6           HB       THR   6  -9.677  -1.933  -4.258
    4    HG1  THR   6           HG1      THR   6 -11.215  -0.685  -3.409
    5   HG22  THR   6          HG21      THR   6 -11.613  -3.879  -3.534
    6   HG21  THR   6          HG22      THR   6 -10.027  -4.425  -2.987
    7   HG23  THR   6          HG23      THR   6 -10.282  -4.010  -4.683

  No H/Q in entry =           7
  In of MODEL   15
    1    H    GLY   7           H        GLY   7  -6.718  -2.343  -2.699
    2    HA3  GLY   7           HA2      GLY   7  -6.211   0.163  -3.824
    3    HA2  GLY   7           HA3      GLY   7  -5.921   0.297  -2.096

  No H/Q in entry =           3
  In of MODEL   15
    1    HA   PRO   8           HA       PRO   8  -2.259  -1.553  -4.681
    2    HB2  PRO   8           HB2      PRO   8  -0.586   0.608  -4.123
    3    HB3  PRO   8           HB3      PRO   8  -1.411   0.317  -5.657
    4    HG2  PRO   8           HG2      PRO   8  -2.174   2.114  -3.404
    5    HG3  PRO   8           HG3      PRO   8  -2.351   2.360  -5.150
    6    HD2  PRO   8           HD2      PRO   8  -4.442   1.697  -3.607
    7    HD3  PRO   8           HD3      PRO   8  -4.276   1.072  -5.262

  No H/Q in entry =           7
  In of MODEL   15
    1    H    CYS   9           H        CYS   9  -2.683   0.116  -1.623
    2    HA   CYS   9           HA       CYS   9  -0.456  -1.374  -0.433
    3    HB2  CYS   9           HB2      CYS   9  -0.504   1.019   0.023
    4    HB3  CYS   9           HB3      CYS   9  -2.140   0.898   0.650

  No H/Q in entry =           4
  In of MODEL   15
    1    H    CYS  10           H        CYS  10  -2.862  -2.736  -1.231
    2    HA   CYS  10           HA       CYS  10  -3.728  -3.721   1.403
    3    HB2  CYS  10           HB2      CYS  10  -5.386  -2.301  -0.194
    4    HB3  CYS  10           HB3      CYS  10  -5.683  -3.921  -0.809

  No H/Q in entry =           4
  In of MODEL   15
    1    H    ARG  11           H        ARG  11  -3.975  -5.920   1.599
    2    HA   ARG  11           HA       ARG  11  -2.850  -7.505  -0.590
    3    HB2  ARG  11           HB2      ARG  11  -2.124  -7.542   1.955
    4    HB3  ARG  11           HB3      ARG  11  -3.468  -8.667   2.091
    5    HG2  ARG  11           HG2      ARG  11  -2.448 -10.257   0.767
    6    HG3  ARG  11           HG3      ARG  11  -1.394  -9.077  -0.016
    7    HD2  ARG  11           HD2      ARG  11  -0.174  -8.798   2.105
    8    HD3  ARG  11           HD3      ARG  11  -1.201 -10.029   2.840
    9    HE   ARG  11           HE       ARG  11   0.143 -10.927   0.467
   10   HH11  ARG  11          HH11      ARG  11   0.429 -10.502   3.919
   11   HH12  ARG  11          HH12      ARG  11   1.639 -11.728   4.096
   12   HH21  ARG  11          HH21      ARG  11   1.734 -12.541   0.698
   13   HH22  ARG  11          HH22      ARG  11   2.380 -12.886   2.267

  No H/Q in entry =          13
  In of MODEL   15
    1    H    GLN  12           H        GLN  12  -5.417  -6.608  -1.036
    2    HA   GLN  12           HA       GLN  12  -7.279  -7.514  -2.032
    3    HB2  GLN  12           HB2      GLN  12  -6.845 -10.104  -0.560
    4    HB3  GLN  12           HB3      GLN  12  -7.773  -9.826  -2.026
    5    HG2  GLN  12           HG2      GLN  12  -6.005 -10.170  -3.316
    6    HG3  GLN  12           HG3      GLN  12  -5.010  -9.062  -2.372
    7   HE21  GLN  12          HE21      GLN  12  -3.183 -10.279  -2.326
    8   HE22  GLN  12          HE22      GLN  12  -3.063 -11.802  -1.518

  No H/Q in entry =           8
  In of MODEL   15
    1    H    CYS  13           H        CYS  13  -6.604  -7.766   1.361
    2    HA   CYS  13           HA       CYS  13  -8.977  -6.541   2.147
    3    HB2  CYS  13           HB2      CYS  13  -9.625  -9.040   1.419
    4    HB3  CYS  13           HB3      CYS  13  -9.145  -9.358   3.082

  No H/Q in entry =           4
  In of MODEL   15
    1    H    LYS  14           H        LYS  14  -6.161  -6.469   2.726
    2    HA   LYS  14           HA       LYS  14  -6.323  -6.400   5.595
    3    HB2  LYS  14           HB2      LYS  14  -5.587  -8.804   4.728
    4    HB3  LYS  14           HB3      LYS  14  -4.022  -8.014   4.605
    5    HG2  LYS  14           HG2      LYS  14  -4.489  -7.268   7.043
    6    HG3  LYS  14           HG3      LYS  14  -5.667  -8.582   7.030
    7    HD2  LYS  14           HD2      LYS  14  -2.941  -9.173   6.017
    8    HD3  LYS  14           HD3      LYS  14  -3.132  -8.947   7.757
    9    HE2  LYS  14           HE2      LYS  14  -4.974 -10.759   6.246
   10    HE3  LYS  14           HE3      LYS  14  -3.380 -11.322   6.747
   11    HZ1  LYS  14           HZ1      LYS  14  -4.252 -10.274   9.021
   12    HZ3  LYS  14           HZ2      LYS  14  -4.512 -11.890   8.593
   13    HZ2  LYS  14           HZ3      LYS  14  -5.734 -10.745   8.352

  No H/Q in entry =          13
  In of MODEL   15
    1    H    LEU  15           H        LEU  15  -5.492  -4.478   6.029
    2    HA   LEU  15           HA       LEU  15  -4.027  -2.844   4.397
    3    HB2  LEU  15           HB2      LEU  15  -5.100  -2.429   6.727
    4    HB3  LEU  15           HB3      LEU  15  -3.515  -2.848   7.347
    5    HG   LEU  15           HG       LEU  15  -4.144  -0.566   5.474
    6   HD11  LEU  15          HD11      LEU  15  -3.919  -0.828   8.390
    7   HD13  LEU  15          HD12      LEU  15  -4.746   0.387   7.415
    8   HD12  LEU  15          HD13      LEU  15  -3.008   0.508   7.687
    9   HD23  LEU  15          HD21      LEU  15  -1.676  -0.029   6.218
   10   HD22  LEU  15          HD22      LEU  15  -2.005  -1.075   4.837
   11   HD21  LEU  15          HD23      LEU  15  -1.589  -1.781   6.399

  No H/Q in entry =          11
  In of MODEL   15
    1    H    LYS  16           H        LYS  16  -2.248  -3.458   3.334
    2    HA   LYS  16           HA       LYS  16  -0.375  -5.324   4.043
    3    HB2  LYS  16           HB2      LYS  16  -0.446  -3.033   2.196
    4    HB3  LYS  16           HB3      LYS  16   1.171  -3.537   2.670
    5    HG2  LYS  16           HG2      LYS  16   0.702  -5.802   1.909
    6    HG3  LYS  16           HG3      LYS  16  -0.935  -5.319   1.461
    7    HD2  LYS  16           HD2      LYS  16  -0.207  -4.043  -0.329
    8    HD3  LYS  16           HD3      LYS  16   1.415  -3.849   0.339
    9    HE2  LYS  16           HE2      LYS  16   1.449  -6.481   0.032
   10    HE3  LYS  16           HE3      LYS  16   0.243  -6.106  -1.198
   11    HZ2  LYS  16           HZ1      LYS  16   2.646  -6.173  -1.933
   12    HZ1  LYS  16           HZ2      LYS  16   2.854  -4.720  -1.092
   13    HZ3  LYS  16           HZ3      LYS  16   1.762  -4.801  -2.381

  No H/Q in entry =          13
  In of MODEL   15
    1    HA   PRO  17           HA       PRO  17   1.853  -3.669   7.489
    2    HB2  PRO  17           HB2      PRO  17   4.276  -4.881   7.083
    3    HB3  PRO  17           HB3      PRO  17   2.870  -5.697   7.774
    4    HG2  PRO  17           HG2      PRO  17   3.902  -5.749   4.966
    5    HG3  PRO  17           HG3      PRO  17   3.275  -7.082   5.954
    6    HD2  PRO  17           HD2      PRO  17   1.780  -5.895   4.057
    7    HD3  PRO  17           HD3      PRO  17   1.070  -6.497   5.569

  No H/Q in entry =           7
  In of MODEL   15
    1    H    ALA  18           H        ALA  18   2.900  -1.808   7.841
    2    HA   ALA  18           HA       ALA  18   3.721  -0.083   5.848
    3    HB3  ALA  18           HB1      ALA  18   4.489  -0.216   8.754
    4    HB2  ALA  18           HB2      ALA  18   3.270   0.806   7.993
    5    HB1  ALA  18           HB3      ALA  18   4.983   1.102   7.690

  No H/Q in entry =           5
  In of MODEL   15
    1    H    GLY  19           H        GLY  19   5.965   0.818   5.541
    2    HA3  GLY  19           HA2      GLY  19   8.155   0.544   4.901
    3    HA2  GLY  19           HA3      GLY  19   8.256  -0.746   6.090

  No H/Q in entry =           3
  In of MODEL   15
    1    H    THR  20           H        THR  20   5.775  -1.176   3.801
    2    HA   THR  20           HA       THR  20   7.478  -3.017   2.254
    3    HB   THR  20           HB       THR  20   4.561  -3.344   2.989
    4    HG1  THR  20           HG1      THR  20   6.813  -4.852   3.815
    5   HG21  THR  20          HG21      THR  20   5.619  -4.368   0.765
    6   HG23  THR  20          HG22      THR  20   4.408  -5.206   1.735
    7   HG22  THR  20          HG23      THR  20   6.116  -5.606   1.918

  No H/Q in entry =           7
  In of MODEL   15
    1    H    THR  21           H        THR  21   7.641  -2.533   0.170
    2    HA   THR  21           HA       THR  21   6.408  -0.360  -1.042
    3    HB   THR  21           HB       THR  21   7.053  -2.240  -3.077
    4    HG1  THR  21           HG1      THR  21   8.467  -3.451  -2.141
    5   HG23  THR  21          HG21      THR  21   7.968  -0.371  -3.811
    6   HG22  THR  21          HG22      THR  21   9.277  -0.609  -2.653
    7   HG21  THR  21          HG23      THR  21   7.872   0.361  -2.209

  No H/Q in entry =           7
  In of MODEL   15
    1    H    CYS  22           H        CYS  22   4.406  -0.027  -1.721
    2    HA   CYS  22           HA       CYS  22   2.749  -2.370  -2.383
    3    HB2  CYS  22           HB2      CYS  22   0.824  -0.696  -1.889
    4    HB3  CYS  22           HB3      CYS  22   1.677  -1.442  -0.547

  No H/Q in entry =           4
  In of MODEL   15
    1    H    TRP  23           H        TRP  23   4.391  -1.317  -4.351
    2    HA   TRP  23           HA       TRP  23   2.534  -0.833  -6.397
    3    HB2  TRP  23           HB2      TRP  23   2.873   1.449  -5.003
    4    HB3  TRP  23           HB3      TRP  23   4.171   1.617  -6.181
    5    HD1  TRP  23           HD1      TRP  23   1.915  -0.177  -8.177
    6    HE1  TRP  23           HE1      TRP  23   0.306   1.326  -9.508
    7    HE3  TRP  23           HE3      TRP  23   2.512   4.163  -5.556
    8    HZ2  TRP  23           HZ2      TRP  23  -0.593   3.991  -9.447
    9    HZ3  TRP  23           HZ3      TRP  23   1.243   6.151  -6.262
   10    HH2  TRP  23           HH2      TRP  23  -0.273   6.062  -8.174

  No H/Q in entry =          10
  In of MODEL   15
    1    H    LYS  24           H        LYS  24   5.747   0.588  -5.904
    2    HA   LYS  24           HA       LYS  24   7.629   0.483  -7.191
    3    HB2  LYS  24           HB2      LYS  24   8.583  -1.703  -7.420
    4    HB3  LYS  24           HB3      LYS  24   7.711  -1.653  -5.896
    5    HG2  LYS  24           HG2      LYS  24   5.956  -2.980  -6.740
    6    HG3  LYS  24           HG3      LYS  24   6.507  -2.781  -8.405
    7    HD2  LYS  24           HD2      LYS  24   8.711  -3.872  -7.297
    8    HD3  LYS  24           HD3      LYS  24   7.460  -4.608  -6.293
    9    HE2  LYS  24           HE2      LYS  24   7.265  -4.599  -9.286
   10    HE3  LYS  24           HE3      LYS  24   8.183  -5.837  -8.430
   11    HZ2  LYS  24           HZ1      LYS  24   5.284  -5.336  -8.414
   12    HZ1  LYS  24           HZ2      LYS  24   6.007  -6.085  -7.080
   13    HZ3  LYS  24           HZ3      LYS  24   6.118  -6.796  -8.611

  No H/Q in entry =          13
  In of MODEL   15
    1    H    THR  25           H        THR  25   5.193   1.024  -8.603
    2    HA   THR  25           HA       THR  25   4.668  -0.325 -10.910
    3    HB   THR  25           HB       THR  25   3.343   1.572 -10.415
    4    HG1  THR  25           HG1      THR  25   4.913   2.447 -12.600
    5   HG22  THR  25          HG21      THR  25   5.003   3.798 -10.960
    6   HG21  THR  25          HG22      THR  25   5.777   2.822  -9.712
    7   HG23  THR  25          HG23      THR  25   4.128   3.404  -9.481

  No H/Q in entry =           7
  In of MODEL   15
    1    H    SER  26           H        SER  26   5.258   0.351 -13.199
    2    HA   SER  26           HA       SER  26   8.109   0.090 -13.495
    3    HB2  SER  26           HB2      SER  26   6.349  -1.071 -14.930
    4    HB3  SER  26           HB3      SER  26   6.109   0.487 -15.721
    5    HG   SER  26           HG       SER  26   8.474   0.403 -16.079

  No H/Q in entry =           5
  In of MODEL   15
    1    H    VAL  27           H        VAL  27   7.969   2.378 -12.278
    2    HA   VAL  27           HA       VAL  27   9.308   4.229 -13.780
    3    HB   VAL  27           HB       VAL  27   7.334   4.551 -15.165
    4   HG11  VAL  27          HG11      VAL  27   5.953   5.005 -12.540
    5   HG13  VAL  27          HG12      VAL  27   5.532   3.876 -13.828
    6   HG12  VAL  27          HG13      VAL  27   5.293   5.608 -14.059
    7   HG23  VAL  27          HG21      VAL  27   7.448   6.967 -13.394
    8   HG22  VAL  27          HG22      VAL  27   7.268   6.882 -15.147
    9   HG21  VAL  27          HG23      VAL  27   8.820   6.500 -14.400

  No H/Q in entry =           9
  In of MODEL   15
    1    H    SER  28           H        SER  28   6.979   3.669 -11.239
    2    HA   SER  28           HA       SER  28   8.383   5.644  -9.566
    3    HB2  SER  28           HB2      SER  28   5.789   5.901 -10.326
    4    HB3  SER  28           HB3      SER  28   5.594   4.981  -8.835
    5    HG   SER  28           HG       SER  28   6.719   7.535  -9.215

  No H/Q in entry =           5
  In of MODEL   15
    1    H    SER  29           H        SER  29   7.300   5.074  -7.142
    2    HA   SER  29           HA       SER  29   7.098   2.352  -6.476
    3    HB2  SER  29           HB2      SER  29   9.494   2.333  -7.143
    4    HB3  SER  29           HB3      SER  29   9.823   3.556  -5.916
    5    HG   SER  29           HG       SER  29   9.537   0.872  -5.645

  No H/Q in entry =           5
  In of MODEL   15
    1    H    HIS  30           H        HIS  30   5.921   2.404  -4.695
    2    HA   HIS  30           HA       HIS  30   6.471   4.492  -2.693
    3    HB2  HIS  30           HB2      HIS  30   3.731   3.484  -3.473
    4    HB3  HIS  30           HB3      HIS  30   4.092   4.770  -2.324
    5    HD1  HIS  30           HD1      HIS  30   3.413   6.906  -3.365
    6    HD2  HIS  30           HD2      HIS  30   5.226   4.365  -6.107
    7    HE1  HIS  30           HE1      HIS  30   3.539   8.211  -5.511
    8    HE2  HIS  30           HE2      HIS  30   4.560   6.622  -7.177

  No H/Q in entry =           8
  In of MODEL   15
    1    H    TYR  31           H        TYR  31   5.544   3.960  -0.521
    2    HA   TYR  31           HA       TYR  31   5.617   1.055  -0.024
    3    HB2  TYR  31           HB2      TYR  31   6.984   3.300   1.425
    4    HB3  TYR  31           HB3      TYR  31   6.592   1.806   2.268
    5    HD1  TYR  31           HD1      TYR  31   8.340   0.328   2.451
    6    HD2  TYR  31           HD2      TYR  31   8.085   2.752  -1.035
    7    HE1  TYR  31           HE1      TYR  31  10.400  -0.703   1.592
    8    HE2  TYR  31           HE2      TYR  31  10.144   1.728  -1.905
    9    HH   TYR  31           HH       TYR  31  11.403  -1.063  -0.837

  No H/Q in entry =           9
  In of MODEL   15
    1    H    CYS  32           H        CYS  32   4.589   0.405   2.044
    2    HA   CYS  32           HA       CYS  32   2.019   1.709   2.303
    3    HB2  CYS  32           HB2      CYS  32   3.211  -0.878   3.176
    4    HB3  CYS  32           HB3      CYS  32   1.861  -0.249   4.113

  No H/Q in entry =           4
  In of MODEL   15
    1    H    THR  33           H        THR  33   1.192   2.630   4.169
    2    HA   THR  33           HA       THR  33   3.219   3.483   6.112
    3    HB   THR  33           HB       THR  33   1.839   5.365   6.588
    4    HG1  THR  33           HG1      THR  33  -0.189   4.552   6.659
    5   HG22  THR  33          HG21      THR  33   1.064   5.715   3.908
    6   HG21  THR  33          HG22      THR  33   2.584   4.822   3.898
    7   HG23  THR  33          HG23      THR  33   2.478   6.371   4.734

  No H/Q in entry =           7
  In of MODEL   15
    1    H    GLY  34           H        GLY  34   1.402   0.942   5.926
    2    HA3  GLY  34           HA2      GLY  34   0.200  -0.393   7.368
    3    HA2  GLY  34           HA3      GLY  34   1.307   0.253   8.568

  No H/Q in entry =           3
  In of MODEL   15
    1    H    ARG  35           H        ARG  35  -0.950   2.322   6.888
    2    HA   ARG  35           HA       ARG  35  -2.731   2.322   9.218
    3    HB2  ARG  35           HB2      ARG  35  -0.842   4.224   9.028
    4    HB3  ARG  35           HB3      ARG  35  -2.101   4.975   8.056
    5    HG2  ARG  35           HG2      ARG  35  -3.657   4.523  10.021
    6    HG3  ARG  35           HG3      ARG  35  -2.192   4.193  10.949
    7    HD2  ARG  35           HD2      ARG  35  -1.450   6.379  10.801
    8    HD3  ARG  35           HD3      ARG  35  -2.414   6.716   9.364
    9    HE   ARG  35           HE       ARG  35  -4.052   6.170  11.629
   10   HH11  ARG  35          HH11      ARG  35  -2.117   8.651  10.120
   11   HH12  ARG  35          HH12      ARG  35  -3.003   9.954  10.837
   12   HH21  ARG  35          HH21      ARG  35  -5.220   7.882  12.573
   13   HH22  ARG  35          HH22      ARG  35  -4.765   9.518  12.230

  No H/Q in entry =          13
  In of MODEL   15
    1    H    SER  36           H        SER  36  -2.634   1.720   6.105
    2    HA   SER  36           HA       SER  36  -5.363   2.024   5.635
    3    HB2  SER  36           HB2      SER  36  -5.144   4.376   5.469
    4    HB3  SER  36           HB3      SER  36  -3.648   4.253   4.543
    5    HG   SER  36           HG       SER  36  -5.789   4.705   3.427

  No H/Q in entry =           5
  In of MODEL   15
    1    H    CYS  37           H        CYS  37  -5.992   1.392   3.447
    2    HA   CYS  37           HA       CYS  37  -3.994  -0.383   2.293
    3    HB2  CYS  37           HB2      CYS  37  -6.961  -0.164   2.176
    4    HB3  CYS  37           HB3      CYS  37  -6.138  -0.923   0.821

  No H/Q in entry =           4
  In of MODEL   15
    1    H    GLU  38           H        GLU  38  -4.534   2.742   1.901
    2    HA   GLU  38           HA       GLU  38  -4.459   2.722  -1.031
    3    HB2  GLU  38           HB2      GLU  38  -5.949   4.272   0.587
    4    HB3  GLU  38           HB3      GLU  38  -4.522   5.289   0.451
    5    HG2  GLU  38           HG2      GLU  38  -6.099   4.212  -1.874
    6    HG3  GLU  38           HG3      GLU  38  -6.261   5.833  -1.200

  No H/Q in entry =           6
  In of MODEL   15
    1    H    CYS  39           H        CYS  39  -2.357   2.188  -1.483
    2    HA   CYS  39           HA       CYS  39  -0.040   2.898  -0.228
    3    HB2  CYS  39           HB2      CYS  39  -0.432   1.435  -2.329
    4    HB3  CYS  39           HB3      CYS  39  -0.202   2.927  -3.232

  No H/Q in entry =           4
  In of MODEL   15
    1    HA   PRO  40           HA       PRO  40  -0.050   7.369  -0.360
    2    HB2  PRO  40           HB2      PRO  40   2.691   7.609   0.087
    3    HB3  PRO  40           HB3      PRO  40   1.448   7.520   1.337
    4    HG2  PRO  40           HG2      PRO  40   3.212   5.369   0.260
    5    HG3  PRO  40           HG3      PRO  40   2.662   5.645   1.923
    6    HD2  PRO  40           HD2      PRO  40   1.576   3.733   0.401
    7    HD3  PRO  40           HD3      PRO  40   0.583   4.686   1.524

  No H/Q in entry =           7
  In of MODEL   15
    1    H    SER  41           H        SER  41   1.227   9.103  -1.481
    2    HA   SER  41           HA       SER  41   1.912   8.181  -4.181
    3    HB2  SER  41           HB2      SER  41   0.117  10.052  -3.515
    4    HB3  SER  41           HB3      SER  41   1.549  11.078  -3.604
    5    HG   SER  41           HG       SER  41   0.147   9.831  -5.610

  No H/Q in entry =           5
  In of MODEL   15
    1    H    TYR  42           H        TYR  42   3.721   8.198  -1.789
    2    HA   TYR  42           HA       TYR  42   5.904   9.691  -3.055
    3    HB2  TYR  42           HB2      TYR  42   6.703  10.531  -0.944
    4    HB3  TYR  42           HB3      TYR  42   5.012  10.991  -1.112
    5    HD1  TYR  42           HD1      TYR  42   3.428  10.363   0.513
    6    HD2  TYR  42           HD2      TYR  42   7.273   8.542   0.518
    7    HE1  TYR  42           HE1      TYR  42   2.931   9.333   2.690
    8    HE2  TYR  42           HE2      TYR  42   6.787   7.505   2.693
    9    HH   TYR  42           HH       TYR  42   4.230   6.885   3.907

  No H/Q in entry =           9
  In of MODEL   15
    1    HA   PRO  43           HA       PRO  43   8.040   5.853  -2.525
    2    HB2  PRO  43           HB2      PRO  43  10.590   6.675  -2.828
    3    HB3  PRO  43           HB3      PRO  43   9.448   6.634  -4.177
    4    HG2  PRO  43           HG2      PRO  43  10.306   8.958  -2.494
    5    HG3  PRO  43           HG3      PRO  43  10.102   8.868  -4.254
    6    HD2  PRO  43           HD2      PRO  43   8.233   9.946  -2.598
    7    HD3  PRO  43           HD3      PRO  43   7.822   9.145  -4.128

  No H/Q in entry =           7
  In of MODEL   15
    1    H    GLY  44           H        GLY  44   9.152   4.662  -0.990
    2    HA3  GLY  44           HA2      GLY  44   9.099   5.557   1.663
    3    HA2  GLY  44           HA3      GLY  44   9.952   4.130   1.094

  No H/Q in entry =           3
  In of MODEL   15
    1    H    ASN  45           H        ASN  45  10.211   7.483   1.949
    2    HA   ASN  45           HA       ASN  45  12.977   7.229   2.551
    3    HB2  ASN  45           HB2      ASN  45  12.187   8.452  -0.042
    4    HB3  ASN  45           HB3      ASN  45  13.445   9.271   0.879
    5   HD21  ASN  45          HD21      ASN  45  15.303   7.978   1.527
    6   HD22  ASN  45          HD22      ASN  45  15.836   6.704   0.489

  No H/Q in entry =           6
  In of MODEL   15
    1    H    GLY  46           H        GLY  46  10.339   9.474   1.799
    2    HA3  GLY  46           HA2      GLY  46   9.421  10.876   3.524
    3    HA2  GLY  46           HA3      GLY  46  11.013  10.933   4.266

  No H/Q in entry =           3
  In of MODEL   16
    1    H1   ALA   1           H3       ALA   1 -21.292  -8.338   6.964
    2    H2   ALA   1           H2       ALA   1 -22.132  -7.201   5.992
    3    H3   ALA   1           H1       ALA   1 -22.737  -8.798   6.166
    4    HA   ALA   1           HA       ALA   1 -21.117  -9.709   4.885
    5    HB3  ALA   1           HB1      ALA   1 -21.276  -7.128   3.425
    6    HB2  ALA   1           HB2      ALA   1 -22.783  -7.961   3.807
    7    HB1  ALA   1           HB3      ALA   1 -21.544  -8.773   2.851

  No H/Q in entry =           7
  In of MODEL   16
    1    H    MET   2           H        MET   2 -20.207  -6.548   6.073
    2    HA   MET   2           HA       MET   2 -18.190  -5.561   6.434
    3    HB2  MET   2           HB2      MET   2 -17.790  -7.787   7.555
    4    HB3  MET   2           HB3      MET   2 -17.007  -8.315   6.072
    5    HG2  MET   2           HG2      MET   2 -15.339  -6.570   6.304
    6    HG3  MET   2           HG3      MET   2 -16.141  -5.977   7.757
    7    HE2  MET   2           HE1      MET   2 -12.576  -8.059   8.231
    8    HE1  MET   2           HE2      MET   2 -13.171  -6.645   7.360
    9    HE3  MET   2           HE3      MET   2 -13.190  -8.230   6.586

  No H/Q in entry =           9
  In of MODEL   16
    1    H    ASP   3           H        ASP   3 -16.131  -4.966   5.409
    2    HA   ASP   3           HA       ASP   3 -16.124  -5.568   2.524
    3    HB2  ASP   3           HB2      ASP   3 -15.898  -2.958   3.969
    4    HB3  ASP   3           HB3      ASP   3 -15.044  -3.163   2.443

  No H/Q in entry =           4
  In of MODEL   16
    1    H    CYS   4           H        CYS   4 -14.071  -5.522   1.471
    2    HA   CYS   4           HA       CYS   4 -11.859  -6.157   3.298
    3    HB2  CYS   4           HB2      CYS   4 -12.538  -7.022   0.509
    4    HB3  CYS   4           HB3      CYS   4 -10.871  -7.098   1.071

  No H/Q in entry =           4
  In of MODEL   16
    1    H    THR   5           H        THR   5  -9.912  -5.138   3.165
    2    HA   THR   5           HA       THR   5  -9.822  -2.502   2.220
    3    HB   THR   5           HB       THR   5  -7.184  -3.694   2.436
    4    HG1  THR   5           HG1      THR   5  -8.001  -5.242   3.732
    5   HG22  THR   5          HG21      THR   5  -8.169  -2.071   4.658
    6   HG21  THR   5          HG22      THR   5  -8.288  -1.303   3.075
    7   HG23  THR   5          HG23      THR   5  -6.728  -1.884   3.658

  No H/Q in entry =           7
  In of MODEL   16
    1    H    THR   6           H        THR   6 -10.165  -2.147   0.089
    2    HA   THR   6           HA       THR   6  -8.578  -3.674  -1.852
    3    HB   THR   6           HB       THR   6 -10.181  -2.513  -3.506
    4    HG1  THR   6           HG1      THR   6 -11.908  -1.540  -2.704
    5   HG22  THR   6          HG21      THR   6 -12.079  -4.087  -2.125
    6   HG21  THR   6          HG22      THR   6 -10.503  -4.858  -1.952
    7   HG23  THR   6          HG23      THR   6 -11.137  -4.499  -3.558

  No H/Q in entry =           7
  In of MODEL   16
    1    H    GLY   7           H        GLY   7  -7.105  -2.726  -3.162
    2    HA3  GLY   7           HA2      GLY   7  -6.746  -0.352  -4.225
    3    HA2  GLY   7           HA3      GLY   7  -6.420   0.054  -2.547

  No H/Q in entry =           3
  In of MODEL   16
    1    HA   PRO   8           HA       PRO   8  -2.483  -1.421  -4.620
    2    HB2  PRO   8           HB2      PRO   8  -1.010   0.807  -4.231
    3    HB3  PRO   8           HB3      PRO   8  -2.073   0.611  -5.629
    4    HG2  PRO   8           HG2      PRO   8  -2.560   2.099  -3.075
    5    HG3  PRO   8           HG3      PRO   8  -2.914   2.593  -4.742
    6    HD2  PRO   8           HD2      PRO   8  -4.803   1.582  -3.071
    7    HD3  PRO   8           HD3      PRO   8  -4.851   1.353  -4.831

  No H/Q in entry =           7
  In of MODEL   16
    1    H    CYS   9           H        CYS   9  -3.227   0.186  -1.599
    2    HA   CYS   9           HA       CYS   9  -0.861  -1.015  -0.340
    3    HB2  CYS   9           HB2      CYS   9  -2.208   1.484  -0.003
    4    HB3  CYS   9           HB3      CYS   9  -2.302   0.596   1.512

  No H/Q in entry =           4
  In of MODEL   16
    1    H    CYS  10           H        CYS  10  -2.550  -2.935  -0.940
    2    HA   CYS  10           HA       CYS  10  -3.210  -4.113   1.520
    3    HB2  CYS  10           HB2      CYS  10  -5.791  -4.231   0.777
    4    HB3  CYS  10           HB3      CYS  10  -5.169  -3.014   1.885

  No H/Q in entry =           4
  In of MODEL   16
    1    H    ARG  11           H        ARG  11  -3.063  -6.233   1.212
    2    HA   ARG  11           HA       ARG  11  -2.612  -7.372  -1.289
    3    HB2  ARG  11           HB2      ARG  11  -1.791  -8.425   0.717
    4    HB3  ARG  11           HB3      ARG  11  -3.425  -8.666   1.316
    5    HG2  ARG  11           HG2      ARG  11  -3.348  -9.914  -1.188
    6    HG3  ARG  11           HG3      ARG  11  -1.835 -10.342  -0.389
    7    HD2  ARG  11           HD2      ARG  11  -4.238 -10.490   1.301
    8    HD3  ARG  11           HD3      ARG  11  -4.182 -11.647  -0.028
    9    HE   ARG  11           HE       ARG  11  -2.683 -11.760   2.364
   10   HH11  ARG  11          HH11      ARG  11  -2.393 -12.349  -1.064
   11   HH12  ARG  11          HH12      ARG  11  -1.162 -13.553  -0.880
   12   HH21  ARG  11          HH21      ARG  11  -1.063 -13.343   2.608
   13   HH22  ARG  11          HH22      ARG  11  -0.407 -14.117   1.204

  No H/Q in entry =          13
  In of MODEL   16
    1    H    GLN  12           H        GLN  12  -5.182  -8.891   0.562
    2    HA   GLN  12           HA       GLN  12  -7.033  -8.382  -1.666
    3    HB2  GLN  12           HB2      GLN  12  -6.205 -10.972  -0.444
    4    HB3  GLN  12           HB3      GLN  12  -7.869 -10.804  -0.986
    5    HG2  GLN  12           HG2      GLN  12  -5.745  -9.978  -2.871
    6    HG3  GLN  12           HG3      GLN  12  -5.925 -11.703  -2.555
    7   HE21  GLN  12          HE21      GLN  12  -6.899  -9.210  -4.478
    8   HE22  GLN  12          HE22      GLN  12  -8.368  -9.881  -5.093

  No H/Q in entry =           8
  In of MODEL   16
    1    H    CYS  13           H        CYS  13  -6.508  -8.386   1.698
    2    HA   CYS  13           HA       CYS  13  -8.989  -7.208   2.272
    3    HB2  CYS  13           HB2      CYS  13  -9.592  -9.694   1.879
    4    HB3  CYS  13           HB3      CYS  13  -8.823  -9.976   3.436

  No H/Q in entry =           4
  In of MODEL   16
    1    H    LYS  14           H        LYS  14  -6.187  -6.828   2.834
    2    HA   LYS  14           HA       LYS  14  -6.399  -6.338   5.663
    3    HB2  LYS  14           HB2      LYS  14  -4.577  -8.439   4.561
    4    HB3  LYS  14           HB3      LYS  14  -4.040  -7.478   5.932
    5    HG2  LYS  14           HG2      LYS  14  -6.420  -8.169   6.870
    6    HG3  LYS  14           HG3      LYS  14  -6.179  -9.522   5.763
    7    HD2  LYS  14           HD2      LYS  14  -4.499 -10.404   6.998
    8    HD3  LYS  14           HD3      LYS  14  -3.878  -8.822   7.475
    9    HE2  LYS  14           HE2      LYS  14  -6.426  -9.997   8.565
   10    HE3  LYS  14           HE3      LYS  14  -4.854 -10.222   9.331
   11    HZ3  LYS  14           HZ1      LYS  14  -4.731  -8.028   9.931
   12    HZ2  LYS  14           HZ2      LYS  14  -6.397  -8.285  10.062
   13    HZ1  LYS  14           HZ3      LYS  14  -5.767  -7.501   8.702

  No H/Q in entry =          13
  In of MODEL   16
    1    H    LEU  15           H        LEU  15  -5.710  -4.322   5.859
    2    HA   LEU  15           HA       LEU  15  -4.446  -2.781   3.994
    3    HB2  LEU  15           HB2      LEU  15  -5.317  -2.415   6.577
    4    HB3  LEU  15           HB3      LEU  15  -3.592  -2.137   6.720
    5    HG   LEU  15           HG       LEU  15  -4.942  -0.745   4.487
    6   HD12  LEU  15          HD11      LEU  15  -5.378   1.057   6.449
    7   HD11  LEU  15          HD12      LEU  15  -5.767  -0.441   7.293
    8   HD13  LEU  15          HD13      LEU  15  -6.614  -0.022   5.805
    9   HD21  LEU  15          HD21      LEU  15  -2.471  -0.660   5.540
   10   HD23  LEU  15          HD22      LEU  15  -3.237   0.638   6.456
   11   HD22  LEU  15          HD23      LEU  15  -3.217   0.695   4.694

  No H/Q in entry =          11
  In of MODEL   16
    1    H    LYS  16           H        LYS  16  -2.560  -3.001   3.007
    2    HA   LYS  16           HA       LYS  16  -0.557  -4.758   3.587
    3    HB2  LYS  16           HB2      LYS  16  -0.711  -2.250   2.016
    4    HB3  LYS  16           HB3      LYS  16   0.904  -2.826   2.404
    5    HG2  LYS  16           HG2      LYS  16   0.250  -5.039   1.432
    6    HG3  LYS  16           HG3      LYS  16  -1.242  -4.277   0.878
    7    HD2  LYS  16           HD2      LYS  16  -0.147  -2.948  -0.660
    8    HD3  LYS  16           HD3      LYS  16   1.385  -3.022   0.212
    9    HE2  LYS  16           HE2      LYS  16   1.774  -4.367  -1.639
   10    HE3  LYS  16           HE3      LYS  16   1.344  -5.531  -0.387
   11    HZ2  LYS  16           HZ1      LYS  16  -0.100  -4.776  -2.793
   12    HZ1  LYS  16           HZ2      LYS  16  -1.048  -5.031  -1.416
   13    HZ3  LYS  16           HZ3      LYS  16  -0.040  -6.262  -1.987

  No H/Q in entry =          13
  In of MODEL   16
    1    HA   PRO  17           HA       PRO  17   1.399  -3.227   7.265
    2    HB2  PRO  17           HB2      PRO  17   3.821  -4.462   6.984
    3    HB3  PRO  17           HB3      PRO  17   2.361  -5.287   7.540
    4    HG2  PRO  17           HG2      PRO  17   3.590  -5.240   4.812
    5    HG3  PRO  17           HG3      PRO  17   2.889  -6.605   5.701
    6    HD2  PRO  17           HD2      PRO  17   1.538  -5.326   3.753
    7    HD3  PRO  17           HD3      PRO  17   0.721  -5.994   5.180

  No H/Q in entry =           7
  In of MODEL   16
    1    H    ALA  18           H        ALA  18   2.674  -1.534   7.843
    2    HA   ALA  18           HA       ALA  18   3.560   0.284   5.912
    3    HB3  ALA  18           HB1      ALA  18   3.925   0.028   8.860
    4    HB2  ALA  18           HB2      ALA  18   3.121   1.292   7.929
    5    HB1  ALA  18           HB3      ALA  18   4.883   1.216   7.976

  No H/Q in entry =           5
  In of MODEL   16
    1    H    GLY  19           H        GLY  19   5.849   1.142   5.794
    2    HA3  GLY  19           HA2      GLY  19   8.030   0.811   5.158
    3    HA2  GLY  19           HA3      GLY  19   8.092  -0.399   6.430

  No H/Q in entry =           3
  In of MODEL   16
    1    H    THR  20           H        THR  20   5.779  -0.810   3.898
    2    HA   THR  20           HA       THR  20   7.534  -2.763   2.572
    3    HB   THR  20           HB       THR  20   4.622  -3.164   3.287
    4    HG1  THR  20           HG1      THR  20   6.138  -3.433   5.019
    5   HG21  THR  20          HG21      THR  20   5.857  -4.278   1.145
    6   HG23  THR  20          HG22      THR  20   4.521  -5.006   2.038
    7   HG22  THR  20          HG23      THR  20   6.183  -5.469   2.405

  No H/Q in entry =           7
  In of MODEL   16
    1    H    THR  21           H        THR  21   7.510  -2.712   0.393
    2    HA   THR  21           HA       THR  21   6.435  -0.539  -0.981
    3    HB   THR  21           HB       THR  21   6.775  -2.757  -2.776
    4    HG1  THR  21           HG1      THR  21   8.927  -2.380  -0.974
    5   HG21  THR  21          HG21      THR  21   8.026  -0.141  -2.259
    6   HG23  THR  21          HG22      THR  21   7.438  -0.848  -3.764
    7   HG22  THR  21          HG23      THR  21   9.003  -1.336  -3.113

  No H/Q in entry =           7
  In of MODEL   16
    1    H    CYS  22           H        CYS  22   4.415  -0.071  -1.468
    2    HA   CYS  22           HA       CYS  22   2.436  -2.222  -1.581
    3    HB2  CYS  22           HB2      CYS  22   0.763  -0.486  -1.313
    4    HB3  CYS  22           HB3      CYS  22   2.003  -0.307  -0.077

  No H/Q in entry =           4
  In of MODEL   16
    1    H    TRP  23           H        TRP  23   3.869   0.315  -3.524
    2    HA   TRP  23           HA       TRP  23   2.154  -0.458  -5.773
    3    HB2  TRP  23           HB2      TRP  23   2.716   2.041  -4.865
    4    HB3  TRP  23           HB3      TRP  23   3.948   1.858  -6.109
    5    HD1  TRP  23           HD1      TRP  23   1.396  -0.111  -7.535
    6    HE1  TRP  23           HE1      TRP  23  -0.157   1.216  -9.101
    7    HE3  TRP  23           HE3      TRP  23   2.580   4.614  -6.020
    8    HZ2  TRP  23           HZ2      TRP  23  -0.791   3.913  -9.621
    9    HZ3  TRP  23           HZ3      TRP  23   1.461   6.518  -7.104
   10    HH2  TRP  23           HH2      TRP  23  -0.188   6.172  -8.869

  No H/Q in entry =          10
  In of MODEL   16
    1    H    LYS  24           H        LYS  24   5.468   0.781  -5.550
    2    HA   LYS  24           HA       LYS  24   7.408   0.143  -6.549
    3    HB2  LYS  24           HB2      LYS  24   6.767  -1.980  -5.257
    4    HB3  LYS  24           HB3      LYS  24   6.246  -2.621  -6.809
    5    HG2  LYS  24           HG2      LYS  24   8.575  -2.097  -7.653
    6    HG3  LYS  24           HG3      LYS  24   9.015  -1.826  -5.965
    7    HD2  LYS  24           HD2      LYS  24   8.404  -4.087  -5.394
    8    HD3  LYS  24           HD3      LYS  24   7.789  -4.371  -7.024
    9    HE2  LYS  24           HE2      LYS  24   9.859  -4.643  -7.902
   10    HE3  LYS  24           HE3      LYS  24  10.588  -3.453  -6.825
   11    HZ3  LYS  24           HZ1      LYS  24  10.612  -5.047  -5.061
   12    HZ2  LYS  24           HZ2      LYS  24  11.339  -5.752  -6.415
   13    HZ1  LYS  24           HZ3      LYS  24   9.759  -6.177  -5.986

  No H/Q in entry =          13
  In of MODEL   16
    1    H    THR  25           H        THR  25   5.090   1.017  -8.167
    2    HA   THR  25           HA       THR  25   4.858  -0.417 -10.554
    3    HB   THR  25           HB       THR  25   4.654   2.573 -10.124
    4    HG1  THR  25           HG1      THR  25   2.560   2.202  -9.666
    5   HG23  THR  25          HG21      THR  25   4.780   2.128 -12.483
    6   HG22  THR  25          HG22      THR  25   3.124   2.546 -12.042
    7   HG21  THR  25          HG23      THR  25   3.560   0.863 -12.341

  No H/Q in entry =           7
  In of MODEL   16
    1    H    SER  26           H        SER  26   5.695   0.242 -12.706
    2    HA   SER  26           HA       SER  26   8.410   0.018 -12.933
    3    HB2  SER  26           HB2      SER  26   8.181   0.841 -15.237
    4    HB3  SER  26           HB3      SER  26   6.862  -0.255 -14.825
    5    HG   SER  26           HG       SER  26   6.437   1.929 -15.893

  No H/Q in entry =           5
  In of MODEL   16
    1    H    VAL  27           H        VAL  27   6.537   3.008 -12.838
    2    HA   VAL  27           HA       VAL  27   9.048   4.499 -12.432
    3    HB   VAL  27           HB       VAL  27   6.439   5.489 -13.594
    4   HG11  VAL  27          HG11      VAL  27   9.023   6.971 -13.107
    5   HG13  VAL  27          HG12      VAL  27   7.500   7.221 -12.252
    6   HG12  VAL  27          HG13      VAL  27   7.621   7.606 -13.969
    7   HG21  VAL  27          HG21      VAL  27   9.047   4.659 -14.769
    8   HG23  VAL  27          HG22      VAL  27   8.144   5.966 -15.534
    9   HG22  VAL  27          HG23      VAL  27   7.406   4.375 -15.348

  No H/Q in entry =           9
  In of MODEL   16
    1    H    SER  28           H        SER  28   5.939   3.703 -11.153
    2    HA   SER  28           HA       SER  28   6.228   5.735  -9.055
    3    HB2  SER  28           HB2      SER  28   4.015   4.984 -10.565
    4    HB3  SER  28           HB3      SER  28   3.738   4.229  -8.995
    5    HG   SER  28           HG       SER  28   4.249   6.972  -9.515

  No H/Q in entry =           5
  In of MODEL   16
    1    H    SER  29           H        SER  29   7.764   4.657  -7.787
    2    HA   SER  29           HA       SER  29   6.894   2.120  -6.579
    3    HB2  SER  29           HB2      SER  29   9.197   2.270  -7.632
    4    HB3  SER  29           HB3      SER  29   9.626   3.404  -6.350
    5    HG   SER  29           HG       SER  29  10.011   1.719  -5.175

  No H/Q in entry =           5
  In of MODEL   16
    1    H    HIS  30           H        HIS  30   5.646   2.540  -4.857
    2    HA   HIS  30           HA       HIS  30   6.661   4.455  -2.866
    3    HB2  HIS  30           HB2      HIS  30   3.728   4.015  -3.430
    4    HB3  HIS  30           HB3      HIS  30   4.467   5.299  -2.473
    5    HD1  HIS  30           HD1      HIS  30   4.145   7.431  -3.722
    6    HD2  HIS  30           HD2      HIS  30   5.102   4.275  -6.239
    7    HE1  HIS  30           HE1      HIS  30   4.328   8.434  -6.027
    8    HE2  HIS  30           HE2      HIS  30   4.999   6.520  -7.514

  No H/Q in entry =           8
  In of MODEL   16
    1    H    TYR  31           H        TYR  31   6.356   3.937  -0.710
    2    HA   TYR  31           HA       TYR  31   5.848   1.111  -0.199
    3    HB2  TYR  31           HB2      TYR  31   7.241   3.308   1.270
    4    HB3  TYR  31           HB3      TYR  31   6.623   1.939   2.188
    5    HD1  TYR  31           HD1      TYR  31   8.329   0.499   2.755
    6    HD2  TYR  31           HD2      TYR  31   8.348   2.263  -1.116
    7    HE1  TYR  31           HE1      TYR  31  10.339  -0.796   2.182
    8    HE2  TYR  31           HE2      TYR  31  10.358   0.972  -1.701
    9    HH   TYR  31           HH       TYR  31  11.432  -1.646   0.037

  No H/Q in entry =           9
  In of MODEL   16
    1    H    CYS  32           H        CYS  32   4.726   0.629   1.956
    2    HA   CYS  32           HA       CYS  32   2.212   2.123   1.975
    3    HB2  CYS  32           HB2      CYS  32   2.549  -0.520   1.797
    4    HB3  CYS  32           HB3      CYS  32   2.548  -0.381   3.551

  No H/Q in entry =           4
  In of MODEL   16
    1    H    THR  33           H        THR  33   1.238   2.789   3.923
    2    HA   THR  33           HA       THR  33   3.165   3.256   6.096
    3    HB   THR  33           HB       THR  33   2.050   5.265   6.610
    4    HG1  THR  33           HG1      THR  33  -0.010   5.529   6.323
    5   HG23  THR  33          HG21      THR  33   3.262   5.742   4.664
    6   HG22  THR  33          HG22      THR  33   1.662   6.438   4.404
    7   HG21  THR  33          HG23      THR  33   2.095   4.911   3.635

  No H/Q in entry =           7
  In of MODEL   16
    1    H    GLY  34           H        GLY  34   1.112   0.993   5.462
    2    HA3  GLY  34           HA2      GLY  34  -0.403  -0.307   6.617
    3    HA2  GLY  34           HA3      GLY  34   0.633   0.068   7.985

  No H/Q in entry =           3
  In of MODEL   16
    1    H    ARG  35           H        ARG  35  -1.251   2.473   6.257
    2    HA   ARG  35           HA       ARG  35  -2.987   2.716   8.626
    3    HB2  ARG  35           HB2      ARG  35  -1.162   4.558   7.925
    4    HB3  ARG  35           HB3      ARG  35  -2.514   5.113   6.948
    5    HG2  ARG  35           HG2      ARG  35  -2.953   4.523   9.835
    6    HG3  ARG  35           HG3      ARG  35  -2.154   6.025   9.365
    7    HD2  ARG  35           HD2      ARG  35  -4.026   6.771   8.162
    8    HD3  ARG  35           HD3      ARG  35  -4.753   5.165   8.132
    9    HE   ARG  35           HE       ARG  35  -4.507   5.998  10.798
   10   HH11  ARG  35          HH11      ARG  35  -6.315   6.776   7.917
   11   HH12  ARG  35          HH12      ARG  35  -7.692   7.361   8.788
   12   HH21  ARG  35          HH21      ARG  35  -6.317   6.768  11.946
   13   HH22  ARG  35          HH22      ARG  35  -7.694   7.357  11.075

  No H/Q in entry =          13
  In of MODEL   16
    1    H    SER  36           H        SER  36  -2.770   2.891   5.125
    2    HA   SER  36           HA       SER  36  -5.562   2.269   4.879
    3    HB2  SER  36           HB2      SER  36  -6.366   4.226   3.886
    4    HB3  SER  36           HB3      SER  36  -5.347   4.843   5.187
    5    HG   SER  36           HG       SER  36  -3.723   5.229   3.681

  No H/Q in entry =           5
  In of MODEL   16
    1    H    CYS  37           H        CYS  37  -6.202   2.282   2.468
    2    HA   CYS  37           HA       CYS  37  -4.211   0.752   1.068
    3    HB2  CYS  37           HB2      CYS  37  -7.057   1.524   0.487
    4    HB3  CYS  37           HB3      CYS  37  -6.060   0.748  -0.738

  No H/Q in entry =           4
  In of MODEL   16
    1    H    GLU  38           H        GLU  38  -4.832   4.032   1.302
    2    HA   GLU  38           HA       GLU  38  -4.196   4.719  -1.432
    3    HB2  GLU  38           HB2      GLU  38  -4.238   6.594   0.928
    4    HB3  GLU  38           HB3      GLU  38  -4.466   6.987  -0.771
    5    HG2  GLU  38           HG2      GLU  38  -6.638   6.977  -0.271
    6    HG3  GLU  38           HG3      GLU  38  -6.489   5.222  -0.351

  No H/Q in entry =           6
  In of MODEL   16
    1    H    CYS  39           H        CYS  39  -2.164   4.174  -2.014
    2    HA   CYS  39           HA       CYS  39   0.083   4.237  -0.310
    3    HB2  CYS  39           HB2      CYS  39  -0.179   4.176  -3.317
    4    HB3  CYS  39           HB3      CYS  39   1.379   4.128  -2.499

  No H/Q in entry =           4
  In of MODEL   16
    1    HA   PRO  40           HA       PRO  40   1.208   8.502  -0.287
    2    HB2  PRO  40           HB2      PRO  40   3.906   8.318  -0.030
    3    HB3  PRO  40           HB3      PRO  40   2.788   7.971   1.294
    4    HG2  PRO  40           HG2      PRO  40   4.185   6.073  -0.553
    5    HG3  PRO  40           HG3      PRO  40   3.948   5.957   1.201
    6    HD2  PRO  40           HD2      PRO  40   2.416   4.595  -0.563
    7    HD3  PRO  40           HD3      PRO  40   1.782   5.192   0.984

  No H/Q in entry =           7
  In of MODEL   16
    1    H    SER  41           H        SER  41   2.911  10.023  -1.314
    2    HA   SER  41           HA       SER  41   2.905   9.475  -4.185
    3    HB2  SER  41           HB2      SER  41   3.812  12.031  -3.978
    4    HB3  SER  41           HB3      SER  41   2.106  11.598  -4.073
    5    HG   SER  41           HG       SER  41   2.964  13.012  -2.249

  No H/Q in entry =           5
  In of MODEL   16
    1    H    TYR  42           H        TYR  42   5.086   9.933  -1.506
    2    HA   TYR  42           HA       TYR  42   7.402  10.008  -3.283
    3    HB2  TYR  42           HB2      TYR  42   8.706  10.499  -1.302
    4    HB3  TYR  42           HB3      TYR  42   7.296  11.553  -1.338
    5    HD1  TYR  42           HD1      TYR  42   9.059   8.977   0.483
    6    HD2  TYR  42           HD2      TYR  42   5.370  11.075   0.182
    7    HE1  TYR  42           HE1      TYR  42   8.459   8.234   2.748
    8    HE2  TYR  42           HE2      TYR  42   4.759  10.338   2.446
    9    HH   TYR  42           HH       TYR  42   5.308   8.572   4.020

  No H/Q in entry =           9
  In of MODEL   16
    1    HA   PRO  43           HA       PRO  43   8.230   5.694  -2.830
    2    HB2  PRO  43           HB2      PRO  43  10.885   5.635  -3.304
    3    HB3  PRO  43           HB3      PRO  43   9.709   5.987  -4.576
    4    HG2  PRO  43           HG2      PRO  43  11.385   7.882  -2.971
    5    HG3  PRO  43           HG3      PRO  43  11.058   7.881  -4.715
    6    HD2  PRO  43           HD2      PRO  43   9.748   9.500  -2.971
    7    HD3  PRO  43           HD3      PRO  43   9.000   8.880  -4.456

  No H/Q in entry =           7
  In of MODEL   16
    1    H    GLY  44           H        GLY  44   9.862   4.180  -1.708
    2    HA3  GLY  44           HA2      GLY  44   9.786   4.712   1.073
    3    HA2  GLY  44           HA3      GLY  44  10.610   3.363   0.305

  No H/Q in entry =           3
  In of MODEL   16
    1    H    ASN  45           H        ASN  45  10.927   6.813   1.044
    2    HA   ASN  45           HA       ASN  45  13.680   6.422   1.803
    3    HB2  ASN  45           HB2      ASN  45  12.926   7.839  -0.721
    4    HB3  ASN  45           HB3      ASN  45  14.287   8.444   0.219
    5   HD21  ASN  45          HD21      ASN  45  15.740   6.522   0.998
    6   HD22  ASN  45          HD22      ASN  45  16.207   5.431  -0.258

  No H/Q in entry =           6
  In of MODEL   16
    1    H    GLY  46           H        GLY  46  11.365   8.981   0.884
    2    HA3  GLY  46           HA2      GLY  46  10.363  10.422   2.514
    3    HA2  GLY  46           HA3      GLY  46  11.756  10.157   3.552

  No H/Q in entry =           3
  In of MODEL   17
    1    H1   ALA   1           H1       ALA   1 -16.640   0.485   3.192
    2    H2   ALA   1           H3       ALA   1 -16.688   1.210   1.640
    3    H3   ALA   1           H2       ALA   1 -17.270   2.070   3.006
    4    HA   ALA   1           HA       ALA   1 -19.129   0.827   3.193
    5    HB2  ALA   1           HB1      ALA   1 -18.513   0.988   0.246
    6    HB3  ALA   1           HB2      ALA   1 -19.243   2.250   1.239
    7    HB1  ALA   1           HB3      ALA   1 -20.116   0.747   0.940

  No H/Q in entry =           7
  In of MODEL   17
    1    H    MET   2           H        MET   2 -16.700  -0.837   1.272
    2    HA   MET   2           HA       MET   2 -18.163  -3.361   1.633
    3    HB2  MET   2           HB2      MET   2 -15.812  -2.857  -0.193
    4    HB3  MET   2           HB3      MET   2 -16.878  -4.255  -0.188
    5    HG2  MET   2           HG2      MET   2 -17.660  -3.059  -1.984
    6    HG3  MET   2           HG3      MET   2 -18.737  -2.525  -0.695
    7    HE3  MET   2           HE1      MET   2 -14.907  -0.819  -1.821
    8    HE2  MET   2           HE2      MET   2 -15.844  -0.365  -3.245
    9    HE1  MET   2           HE3      MET   2 -15.762  -2.054  -2.745

  No H/Q in entry =           9
  In of MODEL   17
    1    H    ASP   3           H        ASP   3 -17.248  -5.085   2.671
    2    HA   ASP   3           HA       ASP   3 -15.346  -4.596   4.668
    3    HB2  ASP   3           HB2      ASP   3 -15.298  -7.115   4.885
    4    HB3  ASP   3           HB3      ASP   3 -16.897  -6.382   4.985

  No H/Q in entry =           4
  In of MODEL   17
    1    H    CYS   4           H        CYS   4 -13.369  -6.167   4.885
    2    HA   CYS   4           HA       CYS   4 -11.238  -6.637   4.242
    3    HB2  CYS   4           HB2      CYS   4 -12.701  -7.077   1.646
    4    HB3  CYS   4           HB3      CYS   4 -10.963  -7.319   1.783

  No H/Q in entry =           4
  In of MODEL   17
    1    H    THR   5           H        THR   5  -9.562  -6.017   2.350
    2    HA   THR   5           HA       THR   5  -9.933  -3.166   1.724
    3    HB   THR   5           HB       THR   5  -7.170  -3.961   2.337
    4    HG1  THR   5           HG1      THR   5  -7.563  -3.883   4.607
    5   HG21  THR   5          HG21      THR   5  -8.114  -1.608   1.969
    6   HG23  THR   5          HG22      THR   5  -6.987  -1.863   3.302
    7   HG22  THR   5          HG23      THR   5  -8.718  -1.750   3.620

  No H/Q in entry =           7
  In of MODEL   17
    1    H    THR   6           H        THR   6  -9.937  -3.005  -0.417
    2    HA   THR   6           HA       THR   6  -8.092  -4.710  -1.958
    3    HB   THR   6           HB       THR   6  -9.815  -3.927  -3.848
    4    HG1  THR   6           HG1      THR   6 -11.861  -3.728  -3.039
    5   HG21  THR   6          HG21      THR   6  -9.410  -6.288  -2.428
    6   HG23  THR   6          HG22      THR   6 -10.291  -6.081  -3.942
    7   HG22  THR   6          HG23      THR   6 -11.152  -6.014  -2.404

  No H/Q in entry =           7
  In of MODEL   17
    1    H    GLY   7           H        GLY   7  -6.555  -3.754  -3.139
    2    HA3  GLY   7           HA2      GLY   7  -6.597  -1.516  -4.653
    3    HA2  GLY   7           HA3      GLY   7  -6.319  -0.873  -3.042

  No H/Q in entry =           3
  In of MODEL   17
    1    HA   PRO   8           HA       PRO   8  -2.165  -1.873  -4.711
    2    HB2  PRO   8           HB2      PRO   8  -0.959   0.430  -4.068
    3    HB3  PRO   8           HB3      PRO   8  -2.004   0.299  -5.488
    4    HG2  PRO   8           HG2      PRO   8  -2.603   1.454  -2.796
    5    HG3  PRO   8           HG3      PRO   8  -3.059   2.054  -4.399
    6    HD2  PRO   8           HD2      PRO   8  -4.722   0.615  -2.734
    7    HD3  PRO   8           HD3      PRO   8  -4.907   0.719  -4.496

  No H/Q in entry =           7
  In of MODEL   17
    1    H    CYS   9           H        CYS   9  -2.745  -0.132  -1.638
    2    HA   CYS   9           HA       CYS   9  -0.499  -1.546  -0.423
    3    HB2  CYS   9           HB2      CYS   9  -0.700   0.879  -0.054
    4    HB3  CYS   9           HB3      CYS   9  -2.267   0.635   0.700

  No H/Q in entry =           4
  In of MODEL   17
    1    H    CYS  10           H        CYS  10  -2.414  -3.343  -1.007
    2    HA   CYS  10           HA       CYS  10  -2.941  -4.563   1.455
    3    HB2  CYS  10           HB2      CYS  10  -5.371  -4.391   1.599
    4    HB3  CYS  10           HB3      CYS  10  -4.636  -2.795   1.699

  No H/Q in entry =           4
  In of MODEL   17
    1    H    ARG  11           H        ARG  11  -3.439  -6.680   1.187
    2    HA   ARG  11           HA       ARG  11  -4.439  -7.580  -1.412
    3    HB2  ARG  11           HB2      ARG  11  -1.781  -7.652  -0.970
    4    HB3  ARG  11           HB3      ARG  11  -2.237  -9.194  -0.259
    5    HG2  ARG  11           HG2      ARG  11  -1.936  -9.941  -2.353
    6    HG3  ARG  11           HG3      ARG  11  -3.579  -9.340  -2.585
    7    HD2  ARG  11           HD2      ARG  11  -2.567  -8.306  -4.343
    8    HD3  ARG  11           HD3      ARG  11  -2.280  -7.088  -3.101
    9    HE   ARG  11           HE       ARG  11  -0.056  -7.456  -3.381
   10   HH11  ARG  11          HH11      ARG  11  -1.752 -10.347  -4.353
   11   HH12  ARG  11          HH12      ARG  11  -0.314 -11.174  -4.848
   12   HH21  ARG  11          HH21      ARG  11   1.836  -8.543  -4.033
   13   HH22  ARG  11          HH22      ARG  11   1.723 -10.151  -4.666

  No H/Q in entry =          13
  In of MODEL   17
    1    H    GLN  12           H        GLN  12  -5.051  -9.916  -1.361
    2    HA   GLN  12           HA       GLN  12  -6.179 -11.670  -0.457
    3    HB2  GLN  12           HB2      GLN  12  -4.133 -11.154   1.371
    4    HB3  GLN  12           HB3      GLN  12  -5.586 -11.273   2.353
    5    HG2  GLN  12           HG2      GLN  12  -6.018 -13.437   0.988
    6    HG3  GLN  12           HG3      GLN  12  -4.295 -13.336   0.629
    7   HE21  GLN  12          HE21      GLN  12  -6.200 -15.033   2.406
    8   HE22  GLN  12          HE22      GLN  12  -5.316 -15.167   3.885

  No H/Q in entry =           8
  In of MODEL   17
    1    H    CYS  13           H        CYS  13  -6.292  -9.419   2.281
    2    HA   CYS  13           HA       CYS  13  -8.818  -8.347   1.792
    3    HB2  CYS  13           HB2      CYS  13  -8.868 -11.055   2.823
    4    HB3  CYS  13           HB3      CYS  13  -9.655  -9.943   3.938

  No H/Q in entry =           4
  In of MODEL   17
    1    H    LYS  14           H        LYS  14  -6.265  -7.585   2.872
    2    HA   LYS  14           HA       LYS  14  -7.167  -6.073   5.112
    3    HB2  LYS  14           HB2      LYS  14  -5.629  -6.946   6.788
    4    HB3  LYS  14           HB3      LYS  14  -6.728  -8.208   6.250
    5    HG2  LYS  14           HG2      LYS  14  -5.045  -9.262   4.970
    6    HG3  LYS  14           HG3      LYS  14  -3.961  -7.879   5.129
    7    HD2  LYS  14           HD2      LYS  14  -4.884  -9.160   7.635
    8    HD3  LYS  14           HD3      LYS  14  -3.746 -10.072   6.643
    9    HE2  LYS  14           HE2      LYS  14  -2.535  -8.754   8.267
   10    HE3  LYS  14           HE3      LYS  14  -2.228  -8.132   6.646
   11    HZ1  LYS  14           HZ1      LYS  14  -4.263  -6.982   8.471
   12    HZ3  LYS  14           HZ2      LYS  14  -3.686  -6.322   7.024
   13    HZ2  LYS  14           HZ3      LYS  14  -2.672  -6.411   8.376

  No H/Q in entry =          13
  In of MODEL   17
    1    H    LEU  15           H        LEU  15  -5.856  -4.319   5.519
    2    HA   LEU  15           HA       LEU  15  -4.280  -3.313   3.524
    3    HB2  LEU  15           HB2      LEU  15  -3.769  -1.553   4.918
    4    HB3  LEU  15           HB3      LEU  15  -5.236  -2.179   5.636
    5    HG   LEU  15           HG       LEU  15  -3.831  -1.674   7.442
    6   HD12  LEU  15          HD11      LEU  15  -2.943  -4.422   7.548
    7   HD11  LEU  15          HD12      LEU  15  -4.615  -4.291   7.009
    8   HD13  LEU  15          HD13      LEU  15  -4.126  -3.574   8.540
    9   HD23  LEU  15          HD21      LEU  15  -1.522  -3.301   6.572
   10   HD22  LEU  15          HD22      LEU  15  -1.576  -1.807   7.506
   11   HD21  LEU  15          HD23      LEU  15  -1.774  -1.759   5.755

  No H/Q in entry =          11
  In of MODEL   17
    1    H    LYS  16           H        LYS  16  -2.173  -3.362   2.929
    2    HA   LYS  16           HA       LYS  16  -0.629  -5.606   3.713
    3    HB2  LYS  16           HB2      LYS  16  -0.450  -3.461   1.745
    4    HB3  LYS  16           HB3      LYS  16   1.121  -3.897   2.403
    5    HG2  LYS  16           HG2      LYS  16   0.309  -6.337   1.907
    6    HG3  LYS  16           HG3      LYS  16  -0.771  -5.518   0.777
    7    HD2  LYS  16           HD2      LYS  16   2.100  -4.753   0.755
    8    HD3  LYS  16           HD3      LYS  16   1.661  -6.322   0.075
    9    HE2  LYS  16           HE2      LYS  16   0.092  -3.919  -0.724
   10    HE3  LYS  16           HE3      LYS  16   1.698  -4.150  -1.413
   11    HZ3  LYS  16           HZ1      LYS  16   1.021  -5.903  -2.629
   12    HZ2  LYS  16           HZ2      LYS  16  -0.503  -5.188  -2.465
   13    HZ1  LYS  16           HZ3      LYS  16  -0.057  -6.467  -1.452

  No H/Q in entry =          13
  In of MODEL   17
    1    HA   PRO  17           HA       PRO  17   1.528  -4.128   7.272
    2    HB2  PRO  17           HB2      PRO  17   3.967  -5.352   6.834
    3    HB3  PRO  17           HB3      PRO  17   2.562  -6.136   7.563
    4    HG2  PRO  17           HG2      PRO  17   3.549  -6.249   4.745
    5    HG3  PRO  17           HG3      PRO  17   2.874  -7.544   5.750
    6    HD2  PRO  17           HD2      PRO  17   1.414  -6.340   3.850
    7    HD3  PRO  17           HD3      PRO  17   0.689  -6.857   5.387

  No H/Q in entry =           7
  In of MODEL   17
    1    H    ALA  18           H        ALA  18   2.894  -2.496   7.860
    2    HA   ALA  18           HA       ALA  18   3.676  -0.611   5.942
    3    HB3  ALA  18           HB1      ALA  18   4.054   0.696   7.715
    4    HB1  ALA  18           HB2      ALA  18   5.187  -0.452   8.429
    5    HB2  ALA  18           HB3      ALA  18   3.453  -0.650   8.683

  No H/Q in entry =           5
  In of MODEL   17
    1    H    GLY  19           H        GLY  19   5.998   0.246   5.806
    2    HA3  GLY  19           HA2      GLY  19   8.150  -0.080   5.074
    3    HA2  GLY  19           HA3      GLY  19   8.217  -1.420   6.209

  No H/Q in entry =           3
  In of MODEL   17
    1    H    THR  20           H        THR  20   5.765  -1.555   3.810
    2    HA   THR  20           HA       THR  20   7.398  -3.379   2.179
    3    HB   THR  20           HB       THR  20   4.523  -3.768   3.038
    4    HG1  THR  20           HG1      THR  20   5.774  -4.447   4.677
    5   HG23  THR  20          HG21      THR  20   4.241  -5.422   1.576
    6   HG22  THR  20          HG22      THR  20   5.891  -6.011   1.777
    7   HG21  THR  20          HG23      THR  20   5.563  -4.663   0.688

  No H/Q in entry =           7
  In of MODEL   17
    1    H    THR  21           H        THR  21   7.384  -2.923   0.065
    2    HA   THR  21           HA       THR  21   6.341  -0.641  -1.031
    3    HB   THR  21           HB       THR  21   6.333  -2.623  -3.085
    4    HG1  THR  21           HG1      THR  21   8.216  -3.681  -2.706
    5   HG23  THR  21          HG21      THR  21   7.108  -0.494  -3.620
    6   HG22  THR  21          HG22      THR  21   8.549  -1.511  -3.629
    7   HG21  THR  21          HG23      THR  21   8.220  -0.458  -2.253

  No H/Q in entry =           7
  In of MODEL   17
    1    H    CYS  22           H        CYS  22   4.381   0.065  -1.467
    2    HA   CYS  22           HA       CYS  22   2.174  -1.843  -1.480
    3    HB2  CYS  22           HB2      CYS  22   0.758  -0.083  -0.871
    4    HB3  CYS  22           HB3      CYS  22   2.250   0.272  -0.012

  No H/Q in entry =           4
  In of MODEL   17
    1    H    TRP  23           H        TRP  23   3.845   0.393  -3.559
    2    HA   TRP  23           HA       TRP  23   1.987  -0.326  -5.723
    3    HB2  TRP  23           HB2      TRP  23   2.334   2.200  -4.791
    4    HB3  TRP  23           HB3      TRP  23   3.549   2.151  -6.065
    5    HD1  TRP  23           HD1      TRP  23   1.167  -0.028  -7.483
    6    HE1  TRP  23           HE1      TRP  23  -0.544   1.175  -8.982
    7    HE3  TRP  23           HE3      TRP  23   1.920   4.765  -5.884
    8    HZ2  TRP  23           HZ2      TRP  23  -1.454   3.803  -9.424
    9    HZ3  TRP  23           HZ3      TRP  23   0.589   6.569  -6.899
   10    HH2  TRP  23           HH2      TRP  23  -1.061   6.095  -8.635

  No H/Q in entry =          10
  In of MODEL   17
    1    H    LYS  24           H        LYS  24   5.183   1.203  -5.554
    2    HA   LYS  24           HA       LYS  24   7.104   0.831  -6.723
    3    HB2  LYS  24           HB2      LYS  24   6.601  -1.393  -5.314
    4    HB3  LYS  24           HB3      LYS  24   6.554  -2.078  -6.932
    5    HG2  LYS  24           HG2      LYS  24   8.849  -0.338  -6.194
    6    HG3  LYS  24           HG3      LYS  24   8.784  -1.979  -5.548
    7    HD2  LYS  24           HD2      LYS  24   9.748  -2.601  -7.468
    8    HD3  LYS  24           HD3      LYS  24   8.164  -2.344  -8.202
    9    HE2  LYS  24           HE2      LYS  24   8.825  -0.477  -9.271
   10    HE3  LYS  24           HE3      LYS  24   9.791   0.082  -7.906
   11    HZ2  LYS  24           HZ1      LYS  24  11.079  -0.494  -9.943
   12    HZ1  LYS  24           HZ2      LYS  24  10.639  -2.111  -9.714
   13    HZ3  LYS  24           HZ3      LYS  24  11.575  -1.317  -8.550

  No H/Q in entry =          13
  In of MODEL   17
    1    H    THR  25           H        THR  25   4.776   1.435  -8.267
    2    HA   THR  25           HA       THR  25   4.365  -0.195 -10.481
    3    HB   THR  25           HB       THR  25   2.854   1.593 -10.136
    4    HG1  THR  25           HG1      THR  25   4.337   2.561 -12.328
    5   HG22  THR  25          HG21      THR  25   3.871   3.995 -10.663
    6   HG21  THR  25          HG22      THR  25   5.273   3.252  -9.896
    7   HG23  THR  25          HG23      THR  25   3.740   3.339  -9.031

  No H/Q in entry =           7
  In of MODEL   17
    1    H    SER  26           H        SER  26   4.928   0.635 -12.790
    2    HA   SER  26           HA       SER  26   7.565   0.056 -13.309
    3    HB2  SER  26           HB2      SER  26   7.062   1.334 -15.542
    4    HB3  SER  26           HB3      SER  26   6.191  -0.151 -15.160
    5    HG   SER  26           HG       SER  26   5.291   2.475 -15.244

  No H/Q in entry =           5
  In of MODEL   17
    1    H    VAL  27           H        VAL  27   6.116   3.256 -12.880
    2    HA   VAL  27           HA       VAL  27   8.808   4.420 -13.091
    3    HB   VAL  27           HB       VAL  27   7.180   5.347 -14.670
    4   HG11  VAL  27          HG11      VAL  27   5.190   4.988 -13.197
    5   HG13  VAL  27          HG12      VAL  27   5.254   6.568 -13.977
    6   HG12  VAL  27          HG13      VAL  27   5.692   6.406 -12.276
    7   HG21  VAL  27          HG21      VAL  27   9.027   6.728 -13.727
    8   HG23  VAL  27          HG22      VAL  27   7.883   7.368 -12.547
    9   HG22  VAL  27          HG23      VAL  27   7.635   7.665 -14.268

  No H/Q in entry =           9
  In of MODEL   17
    1    H    SER  28           H        SER  28   5.838   4.665 -11.162
    2    HA   SER  28           HA       SER  28   7.202   6.187  -9.117
    3    HB2  SER  28           HB2      SER  28   4.576   6.040  -9.926
    4    HB3  SER  28           HB3      SER  28   4.561   5.111  -8.427
    5    HG   SER  28           HG       SER  28   4.827   7.796  -8.808

  No H/Q in entry =           5
  In of MODEL   17
    1    H    SER  29           H        SER  29   6.419   5.356  -6.755
    2    HA   SER  29           HA       SER  29   6.421   2.604  -6.233
    3    HB2  SER  29           HB2      SER  29   8.789   2.517  -5.229
    4    HB3  SER  29           HB3      SER  29   8.653   2.414  -6.985
    5    HG   SER  29           HG       SER  29   9.623   4.281  -7.172

  No H/Q in entry =           5
  In of MODEL   17
    1    H    HIS  30           H        HIS  30   5.160   2.759  -4.503
    2    HA   HIS  30           HA       HIS  30   5.995   4.556  -2.325
    3    HB2  HIS  30           HB2      HIS  30   3.142   3.823  -2.997
    4    HB3  HIS  30           HB3      HIS  30   3.689   5.013  -1.818
    5    HD1  HIS  30           HD1      HIS  30   3.161   7.262  -2.692
    6    HD2  HIS  30           HD2      HIS  30   4.492   4.713  -5.691
    7    HE1  HIS  30           HE1      HIS  30   3.238   8.664  -4.779
    8    HE2  HIS  30           HE2      HIS  30   4.132   7.124  -6.561

  No H/Q in entry =           8
  In of MODEL   17
    1    H    TYR  31           H        TYR  31   5.928   3.764  -0.261
    2    HA   TYR  31           HA       TYR  31   5.607   0.868  -0.030
    3    HB2  TYR  31           HB2      TYR  31   7.095   2.953   1.496
    4    HB3  TYR  31           HB3      TYR  31   6.582   1.508   2.360
    5    HD1  TYR  31           HD1      TYR  31   8.392   2.551  -0.731
    6    HD2  TYR  31           HD2      TYR  31   7.929  -0.382   2.316
    7    HE1  TYR  31           HE1      TYR  31  10.349   1.345  -1.603
    8    HE2  TYR  31           HE2      TYR  31   9.885  -1.596   1.453
    9    HH   TYR  31           HH       TYR  31  11.039  -1.576  -1.203

  No H/Q in entry =           9
  In of MODEL   17
    1    H    CYS  32           H        CYS  32   4.550  -0.025   1.888
    2    HA   CYS  32           HA       CYS  32   2.018   1.275   2.345
    3    HB2  CYS  32           HB2      CYS  32   3.186  -1.402   2.852
    4    HB3  CYS  32           HB3      CYS  32   1.928  -0.882   3.968

  No H/Q in entry =           4
  In of MODEL   17
    1    H    THR  33           H        THR  33   1.224   2.039   4.287
    2    HA   THR  33           HA       THR  33   3.273   2.698   6.276
    3    HB   THR  33           HB       THR  33   1.834   4.484   6.990
    4    HG1  THR  33           HG1      THR  33  -0.096   3.328   5.267
    5   HG21  THR  33          HG21      THR  33   3.033   4.629   4.672
    6   HG23  THR  33          HG22      THR  33   1.908   5.884   5.191
    7   HG22  THR  33          HG23      THR  33   1.380   4.640   4.058

  No H/Q in entry =           7
  In of MODEL   17
    1    H    GLY  34           H        GLY  34   1.525   0.147   5.910
    2    HA3  GLY  34           HA2      GLY  34   0.376  -1.336   7.247
    3    HA2  GLY  34           HA3      GLY  34   1.476  -0.756   8.488

  No H/Q in entry =           3
  In of MODEL   17
    1    H    ARG  35           H        ARG  35  -1.354   0.635   6.808
    2    HA   ARG  35           HA       ARG  35  -2.828   0.735   9.293
    3    HB2  ARG  35           HB2      ARG  35  -1.339   2.789   9.239
    4    HB3  ARG  35           HB3      ARG  35  -2.281   3.327   7.855
    5    HG2  ARG  35           HG2      ARG  35  -3.805   2.559  10.265
    6    HG3  ARG  35           HG3      ARG  35  -2.835   4.030  10.371
    7    HD2  ARG  35           HD2      ARG  35  -4.663   3.546   8.045
    8    HD3  ARG  35           HD3      ARG  35  -5.278   4.207   9.560
    9    HE   ARG  35           HE       ARG  35  -3.680   5.564   7.600
   10   HH11  ARG  35          HH11      ARG  35  -4.577   5.465  10.971
   11   HH12  ARG  35          HH12      ARG  35  -4.211   7.135  11.247
   12   HH21  ARG  35          HH21      ARG  35  -3.198   7.761   7.961
   13   HH22  ARG  35          HH22      ARG  35  -3.428   8.439   9.538

  No H/Q in entry =          13
  In of MODEL   17
    1    H    SER  36           H        SER  36  -2.718   1.963   5.968
    2    HA   SER  36           HA       SER  36  -5.432   0.936   5.563
    3    HB2  SER  36           HB2      SER  36  -5.635   3.171   4.091
    4    HB3  SER  36           HB3      SER  36  -6.129   3.103   5.782
    5    HG   SER  36           HG       SER  36  -3.724   4.121   4.697

  No H/Q in entry =           5
  In of MODEL   17
    1    H    CYS  37           H        CYS  37  -6.010   1.175   3.128
    2    HA   CYS  37           HA       CYS  37  -3.800  -0.019   1.661
    3    HB2  CYS  37           HB2      CYS  37  -6.059  -1.089   1.694
    4    HB3  CYS  37           HB3      CYS  37  -6.677   0.292   0.794

  No H/Q in entry =           4
  In of MODEL   17
    1    H    GLU  38           H        GLU  38  -4.556   3.027   2.201
    2    HA   GLU  38           HA       GLU  38  -4.548   4.008  -0.534
    3    HB2  GLU  38           HB2      GLU  38  -4.326   5.665   1.974
    4    HB3  GLU  38           HB3      GLU  38  -4.883   6.175   0.387
    5    HG2  GLU  38           HG2      GLU  38  -6.880   4.840   0.616
    6    HG3  GLU  38           HG3      GLU  38  -6.310   4.205   2.158

  No H/Q in entry =           6
  In of MODEL   17
    1    H    CYS  39           H        CYS  39  -2.717   4.241  -1.628
    2    HA   CYS  39           HA       CYS  39  -0.170   4.268  -0.257
    3    HB2  CYS  39           HB2      CYS  39  -0.955   4.225  -3.167
    4    HB3  CYS  39           HB3      CYS  39   0.719   4.387  -2.650

  No H/Q in entry =           4
  In of MODEL   17
    1    HA   PRO  40           HA       PRO  40   0.153   8.710  -0.004
    2    HB2  PRO  40           HB2      PRO  40   3.064   8.139  -0.189
    3    HB3  PRO  40           HB3      PRO  40   2.174   9.067   1.024
    4    HG2  PRO  40           HG2      PRO  40   3.101   6.632   1.581
    5    HG3  PRO  40           HG3      PRO  40   1.526   7.172   2.191
    6    HD2  PRO  40           HD2      PRO  40   2.153   5.321  -0.069
    7    HD3  PRO  40           HD3      PRO  40   0.833   5.250   1.116

  No H/Q in entry =           7
  In of MODEL   17
    1    H    SER  41           H        SER  41   1.632  10.419  -1.141
    2    HA   SER  41           HA       SER  41   1.657   9.748  -4.009
    3    HB2  SER  41           HB2      SER  41   1.683  12.595  -3.152
    4    HB3  SER  41           HB3      SER  41   0.844  11.831  -4.502
    5    HG   SER  41           HG       SER  41  -0.077  12.416  -2.041

  No H/Q in entry =           5
  In of MODEL   17
    1    H    TYR  42           H        TYR  42   3.843   9.109  -2.322
    2    HA   TYR  42           HA       TYR  42   5.960  10.282  -3.807
    3    HB2  TYR  42           HB2      TYR  42   7.127  11.446  -2.034
    4    HB3  TYR  42           HB3      TYR  42   5.512  12.125  -2.199
    5    HD1  TYR  42           HD1      TYR  42   7.705  10.064  -0.088
    6    HD2  TYR  42           HD2      TYR  42   3.892  11.918  -0.431
    7    HE1  TYR  42           HE1      TYR  42   7.310   9.681   2.308
    8    HE2  TYR  42           HE2      TYR  42   3.486  11.541   1.965
    9    HH   TYR  42           HH       TYR  42   5.041   9.435   3.784

  No H/Q in entry =           9
  In of MODEL   17
    1    HA   PRO  43           HA       PRO  43   7.743   6.435  -2.565
    2    HB2  PRO  43           HB2      PRO  43  10.339   6.870  -3.174
    3    HB3  PRO  43           HB3      PRO  43   9.097   6.664  -4.416
    4    HG2  PRO  43           HG2      PRO  43  10.314   9.186  -3.354
    5    HG3  PRO  43           HG3      PRO  43   9.960   8.736  -5.032
    6    HD2  PRO  43           HD2      PRO  43   8.349  10.363  -3.570
    7    HD3  PRO  43           HD3      PRO  43   7.735   9.290  -4.844

  No H/Q in entry =           7
  In of MODEL   17
    1    H    GLY  44           H        GLY  44   8.935   5.457  -0.915
    2    HA3  GLY  44           HA2      GLY  44   9.152   6.880   1.500
    3    HA2  GLY  44           HA3      GLY  44   9.813   5.280   1.198

  No H/Q in entry =           3
  In of MODEL   17
    1    H    ASN  45           H        ASN  45  11.417   6.342   2.762
    2    HA   ASN  45           HA       ASN  45  13.521   7.113   3.149
    3    HB2  ASN  45           HB2      ASN  45  13.628   6.339   0.261
    4    HB3  ASN  45           HB3      ASN  45  14.998   7.192   0.967
    5   HD21  ASN  45          HD21      ASN  45  14.841   4.481  -0.060
    6   HD22  ASN  45          HD22      ASN  45  15.295   3.443   1.244

  No H/Q in entry =           6
  In of MODEL   17
    1    H    GLY  46           H        GLY  46  12.398   9.171   3.631
    2    HA3  GLY  46           HA2      GLY  46  13.716  11.335   2.297
    3    HA2  GLY  46           HA3      GLY  46  11.999  11.284   1.924

  No H/Q in entry =           3
  In of MODEL   18
    1    H1   ALA   1           H1       ALA   1 -18.110  -8.220  10.644
    2    H2   ALA   1           H3       ALA   1 -18.732  -7.143  11.823
    3    H3   ALA   1           H2       ALA   1 -19.806  -8.047  10.836
    4    HA   ALA   1           HA       ALA   1 -19.422  -6.813   9.011
    5    HB1  ALA   1           HB1      ALA   1 -19.419  -5.174  11.498
    6    HB2  ALA   1           HB2      ALA   1 -20.670  -5.358  10.269
    7    HB3  ALA   1           HB3      ALA   1 -19.249  -4.366   9.940

  No H/Q in entry =           7
  In of MODEL   18
    1    H    MET   2           H        MET   2 -17.816  -6.702   7.600
    2    HA   MET   2           HA       MET   2 -15.395  -5.232   8.301
    3    HB2  MET   2           HB2      MET   2 -15.240  -7.865   8.583
    4    HB3  MET   2           HB3      MET   2 -15.013  -7.804   6.840
    5    HG2  MET   2           HG2      MET   2 -13.051  -6.512   7.042
    6    HG3  MET   2           HG3      MET   2 -13.363  -6.173   8.743
    7    HE3  MET   2           HE1      MET   2 -12.511  -9.279  10.621
    8    HE2  MET   2           HE2      MET   2 -14.056  -9.484   9.794
    9    HE1  MET   2           HE3      MET   2 -13.616  -7.913  10.464

  No H/Q in entry =           9
  In of MODEL   18
    1    H    ASP   3           H        ASP   3 -14.379  -4.252   6.566
    2    HA   ASP   3           HA       ASP   3 -15.599  -4.645   3.920
    3    HB2  ASP   3           HB2      ASP   3 -15.399  -2.141   3.596
    4    HB3  ASP   3           HB3      ASP   3 -16.648  -2.662   4.724

  No H/Q in entry =           4
  In of MODEL   18
    1    H    CYS   4           H        CYS   4 -14.243  -4.346   2.158
    2    HA   CYS   4           HA       CYS   4 -11.382  -4.243   2.823
    3    HB2  CYS   4           HB2      CYS   4 -12.629  -5.261   0.267
    4    HB3  CYS   4           HB3      CYS   4 -10.969  -5.479   0.807

  No H/Q in entry =           4
  In of MODEL   18
    1    H    THR   5           H        THR   5  -9.954  -3.001   1.560
    2    HA   THR   5           HA       THR   5 -11.254  -0.807   0.083
    3    HB   THR   5           HB       THR   5  -8.659  -0.776   1.637
    4    HG1  THR   5           HG1      THR   5 -10.358  -0.703   3.047
    5   HG23  THR   5          HG21      THR   5  -8.465   1.523   1.206
    6   HG22  THR   5          HG22      THR   5 -10.067   1.601   0.471
    7   HG21  THR   5          HG23      THR   5  -8.755   0.764  -0.359

  No H/Q in entry =           7
  In of MODEL   18
    1    H    THR   6           H        THR   6 -11.122  -2.306  -1.771
    2    HA   THR   6           HA       THR   6  -8.916  -3.424  -2.904
    3    HB   THR   6           HB       THR   6 -10.087  -2.575  -5.149
    4    HG1  THR   6           HG1      THR   6 -12.151  -1.963  -4.837
    5   HG22  THR   6          HG21      THR   6 -11.997  -4.344  -4.008
    6   HG21  THR   6          HG22      THR   6 -10.381  -4.834  -3.497
    7   HG23  THR   6          HG23      THR   6 -10.753  -4.676  -5.214

  No H/Q in entry =           7
  In of MODEL   18
    1    H    GLY   7           H        GLY   7  -6.954  -2.592  -3.139
    2    HA3  GLY   7           HA2      GLY   7  -6.594  -0.230  -4.775
    3    HA2  GLY   7           HA3      GLY   7  -6.069  -0.049  -3.108

  No H/Q in entry =           3
  In of MODEL   18
    1    HA   PRO   8           HA       PRO   8  -2.571  -1.831  -5.647
    2    HB2  PRO   8           HB2      PRO   8  -0.968   0.294  -4.442
    3    HB3  PRO   8           HB3      PRO   8  -1.219  -0.081  -6.147
    4    HG2  PRO   8           HG2      PRO   8  -2.245   2.132  -4.968
    5    HG3  PRO   8           HG3      PRO   8  -3.038   1.307  -6.322
    6    HD2  PRO   8           HD2      PRO   8  -3.663   1.186  -3.397
    7    HD3  PRO   8           HD3      PRO   8  -4.770   1.245  -4.785

  No H/Q in entry =           7
  In of MODEL   18
    1    H    CYS   9           H        CYS   9  -2.673  -0.553  -2.350
    2    HA   CYS   9           HA       CYS   9  -0.545  -2.286  -1.448
    3    HB2  CYS   9           HB2      CYS   9  -0.947  -0.003  -0.497
    4    HB3  CYS   9           HB3      CYS   9  -2.440  -0.610   0.209

  No H/Q in entry =           4
  In of MODEL   18
    1    H    CYS  10           H        CYS  10  -4.031  -2.269  -1.479
    2    HA   CYS  10           HA       CYS  10  -4.499  -4.252   0.462
    3    HB2  CYS  10           HB2      CYS  10  -6.033  -2.728  -1.374
    4    HB3  CYS  10           HB3      CYS  10  -6.446  -4.417  -1.637

  No H/Q in entry =           4
  In of MODEL   18
    1    H    ARG  11           H        ARG  11  -3.408  -6.137   0.361
    2    HA   ARG  11           HA       ARG  11  -2.715  -7.433  -2.069
    3    HB2  ARG  11           HB2      ARG  11  -1.382  -7.733  -0.054
    4    HB3  ARG  11           HB3      ARG  11  -2.747  -8.478   0.764
    5    HG2  ARG  11           HG2      ARG  11  -2.494 -10.459  -0.318
    6    HG3  ARG  11           HG3      ARG  11  -1.838  -9.708  -1.774
    7    HD2  ARG  11           HD2      ARG  11  -0.202  -9.494   0.679
    8    HD3  ARG  11           HD3      ARG  11  -0.348 -11.102  -0.031
    9    HE   ARG  11           HE       ARG  11   0.289  -9.228  -2.038
   10   HH11  ARG  11          HH11      ARG  11   1.717 -10.854   0.699
   11   HH12  ARG  11          HH12      ARG  11   3.325 -10.784   0.061
   12   HH21  ARG  11          HH21      ARG  11   2.404  -9.135  -2.879
   13   HH22  ARG  11          HH22      ARG  11   3.715  -9.807  -1.970

  No H/Q in entry =          13
  In of MODEL   18
    1    H    GLN  12           H        GLN  12  -5.621  -7.267  -0.389
    2    HA   GLN  12           HA       GLN  12  -7.080  -8.806  -2.151
    3    HB2  GLN  12           HB2      GLN  12  -5.584 -10.483  -0.483
    4    HB3  GLN  12           HB3      GLN  12  -7.209 -10.521   0.186
    5    HG2  GLN  12           HG2      GLN  12  -6.785 -12.302  -1.461
    6    HG3  GLN  12           HG3      GLN  12  -8.119 -11.241  -1.911
    7   HE21  GLN  12          HE21      GLN  12  -4.878 -12.243  -2.637
    8   HE22  GLN  12          HE22      GLN  12  -4.774 -11.493  -4.190

  No H/Q in entry =           8
  In of MODEL   18
    1    H    CYS  13           H        CYS  13  -6.677  -7.530   1.058
    2    HA   CYS  13           HA       CYS  13  -9.165  -6.248   1.073
    3    HB2  CYS  13           HB2      CYS  13 -10.080  -8.508   1.336
    4    HB3  CYS  13           HB3      CYS  13  -9.084  -8.751   2.767

  No H/Q in entry =           4
  In of MODEL   18
    1    H    LYS  14           H        LYS  14  -6.407  -7.475   2.847
    2    HA   LYS  14           HA       LYS  14  -6.823  -5.397   4.883
    3    HB2  LYS  14           HB2      LYS  14  -6.514  -7.874   5.523
    4    HB3  LYS  14           HB3      LYS  14  -4.828  -7.641   5.078
    5    HG2  LYS  14           HG2      LYS  14  -5.109  -5.559   6.717
    6    HG3  LYS  14           HG3      LYS  14  -6.339  -6.620   7.404
    7    HD2  LYS  14           HD2      LYS  14  -4.582  -7.422   8.580
    8    HD3  LYS  14           HD3      LYS  14  -4.323  -8.377   7.119
    9    HE2  LYS  14           HE2      LYS  14  -2.246  -7.513   7.228
   10    HE3  LYS  14           HE3      LYS  14  -3.002  -6.113   6.468
   11    HZ1  LYS  14           HZ1      LYS  14  -3.006  -6.304   9.396
   12    HZ3  LYS  14           HZ2      LYS  14  -2.977  -4.931   8.408
   13    HZ2  LYS  14           HZ3      LYS  14  -1.574  -5.852   8.616

  No H/Q in entry =          13
  In of MODEL   18
    1    H    LEU  15           H        LEU  15  -5.690  -3.605   4.626
    2    HA   LEU  15           HA       LEU  15  -3.869  -3.023   2.699
    3    HB2  LEU  15           HB2      LEU  15  -2.900  -1.346   4.469
    4    HB3  LEU  15           HB3      LEU  15  -4.498  -1.130   3.793
    5    HG   LEU  15           HG       LEU  15  -4.159  -0.781   6.317
    6   HD11  LEU  15          HD11      LEU  15  -6.336  -1.526   4.785
    7   HD13  LEU  15          HD12      LEU  15  -6.368  -0.846   6.411
    8   HD12  LEU  15          HD13      LEU  15  -6.402  -2.595   6.186
    9   HD23  LEU  15          HD21      LEU  15  -4.537  -2.858   7.647
   10   HD22  LEU  15          HD22      LEU  15  -2.942  -2.737   6.905
   11   HD21  LEU  15          HD23      LEU  15  -4.166  -3.788   6.198

  No H/Q in entry =          11
  In of MODEL   18
    1    H    LYS  16           H        LYS  16  -2.035  -3.946   2.150
    2    HA   LYS  16           HA       LYS  16  -0.598  -5.812   3.487
    3    HB2  LYS  16           HB2      LYS  16  -0.099  -4.036   1.248
    4    HB3  LYS  16           HB3      LYS  16   1.382  -4.367   2.136
    5    HG2  LYS  16           HG2      LYS  16   1.121  -6.721   1.822
    6    HG3  LYS  16           HG3      LYS  16  -0.486  -6.498   1.130
    7    HD2  LYS  16           HD2      LYS  16   1.559  -4.949  -0.248
    8    HD3  LYS  16           HD3      LYS  16   1.885  -6.683  -0.274
    9    HE2  LYS  16           HE2      LYS  16   0.156  -7.111  -1.645
   10    HE3  LYS  16           HE3      LYS  16  -0.901  -5.960  -0.830
   11    HZ2  LYS  16           HZ1      LYS  16   0.961  -5.518  -3.055
   12    HZ1  LYS  16           HZ2      LYS  16   0.643  -4.238  -1.997
   13    HZ3  LYS  16           HZ3      LYS  16  -0.624  -4.961  -2.852

  No H/Q in entry =          13
  In of MODEL   18
    1    HA   PRO  17           HA       PRO  17   1.448  -4.187   7.032
    2    HB2  PRO  17           HB2      PRO  17   4.039  -5.140   6.496
    3    HB3  PRO  17           HB3      PRO  17   2.781  -5.977   7.408
    4    HG2  PRO  17           HG2      PRO  17   3.590  -6.294   4.560
    5    HG3  PRO  17           HG3      PRO  17   3.003  -7.512   5.707
    6    HD2  PRO  17           HD2      PRO  17   1.427  -6.557   3.767
    7    HD3  PRO  17           HD3      PRO  17   0.778  -6.926   5.380

  No H/Q in entry =           7
  In of MODEL   18
    1    H    ALA  18           H        ALA  18   2.451  -2.328   7.587
    2    HA   ALA  18           HA       ALA  18   3.075  -0.381   5.713
    3    HB1  ALA  18           HB1      ALA  18   4.418  -0.299   8.369
    4    HB3  ALA  18           HB2      ALA  18   2.656  -0.265   8.306
    5    HB2  ALA  18           HB3      ALA  18   3.592   0.981   7.481

  No H/Q in entry =           5
  In of MODEL   18
    1    H    GLY  19           H        GLY  19   5.286   0.770   5.646
    2    HA3  GLY  19           HA2      GLY  19   7.460   0.727   4.916
    3    HA2  GLY  19           HA3      GLY  19   7.688  -0.616   6.026

  No H/Q in entry =           3
  In of MODEL   18
    1    H    THR  20           H        THR  20   5.277  -1.022   3.615
    2    HA   THR  20           HA       THR  20   7.124  -2.691   2.039
    3    HB   THR  20           HB       THR  20   4.202  -3.194   2.641
    4    HG1  THR  20           HG1      THR  20   6.586  -4.397   3.571
    5   HG23  THR  20          HG21      THR  20   4.218  -5.068   1.349
    6   HG22  THR  20          HG22      THR  20   5.972  -5.244   1.426
    7   HG21  THR  20          HG23      THR  20   5.254  -4.013   0.387

  No H/Q in entry =           7
  In of MODEL   18
    1    H    THR  21           H        THR  21   7.451  -1.818   0.108
    2    HA   THR  21           HA       THR  21   6.123   0.265  -1.081
    3    HB   THR  21           HB       THR  21   8.187  -0.359  -2.022
    4    HG1  THR  21           HG1      THR  21   6.793   0.304  -3.646
    5   HG22  THR  21          HG21      THR  21   7.673  -2.835  -3.316
    6   HG21  THR  21          HG22      THR  21   7.336  -3.004  -1.592
    7   HG23  THR  21          HG23      THR  21   8.916  -2.435  -2.130

  No H/Q in entry =           7
  In of MODEL   18
    1    H    CYS  22           H        CYS  22   3.998   0.400  -1.395
    2    HA   CYS  22           HA       CYS  22   2.505  -1.942  -2.286
    3    HB2  CYS  22           HB2      CYS  22   0.512  -0.652  -1.759
    4    HB3  CYS  22           HB3      CYS  22   1.632  -0.607  -0.402

  No H/Q in entry =           4
  In of MODEL   18
    1    H    TRP  23           H        TRP  23   4.240  -0.956  -4.223
    2    HA   TRP  23           HA       TRP  23   2.423  -0.520  -6.366
    3    HB2  TRP  23           HB2      TRP  23   3.384   1.815  -5.083
    4    HB3  TRP  23           HB3      TRP  23   4.220   1.704  -6.628
    5    HD1  TRP  23           HD1      TRP  23   0.707   0.351  -6.443
    6    HE1  TRP  23           HE1      TRP  23  -0.876   1.877  -7.785
    7    HE3  TRP  23           HE3      TRP  23   3.906   4.223  -7.349
    8    HZ2  TRP  23           HZ2      TRP  23  -0.774   4.393  -9.056
    9    HZ3  TRP  23           HZ3      TRP  23   3.089   6.155  -8.634
   10    HH2  TRP  23           HH2      TRP  23   0.796   6.237  -9.470

  No H/Q in entry =          10
  In of MODEL   18
    1    H    LYS  24           H        LYS  24   5.729   0.654  -6.054
    2    HA   LYS  24           HA       LYS  24   7.637   0.147  -7.192
    3    HB2  LYS  24           HB2      LYS  24   7.332  -1.895  -5.755
    4    HB3  LYS  24           HB3      LYS  24   6.580  -2.681  -7.136
    5    HG2  LYS  24           HG2      LYS  24   8.653  -3.422  -7.541
    6    HG3  LYS  24           HG3      LYS  24   8.894  -1.822  -8.245
    7    HD2  LYS  24           HD2      LYS  24   9.454  -1.232  -5.709
    8    HD3  LYS  24           HD3      LYS  24   9.878  -2.945  -5.680
    9    HE2  LYS  24           HE2      LYS  24  10.906  -1.068  -7.791
   10    HE3  LYS  24           HE3      LYS  24  11.734  -1.295  -6.252
   11    HZ2  LYS  24           HZ1      LYS  24  12.431  -2.719  -8.251
   12    HZ1  LYS  24           HZ2      LYS  24  11.033  -3.616  -7.930
   13    HZ3  LYS  24           HZ3      LYS  24  12.239  -3.481  -6.752

  No H/Q in entry =          13
  In of MODEL   18
    1    H    THR  25           H        THR  25   5.358   0.925  -8.742
    2    HA   THR  25           HA       THR  25   5.103  -0.701 -11.060
    3    HB   THR  25           HB       THR  25   4.556   2.234 -11.149
    4    HG1  THR  25           HG1      THR  25   3.197   0.359  -9.528
    5   HG22  THR  25          HG21      THR  25   2.356   1.318 -12.057
    6   HG21  THR  25          HG22      THR  25   3.195  -0.230 -12.164
    7   HG23  THR  25          HG23      THR  25   3.794   1.162 -13.067

  No H/Q in entry =           7
  In of MODEL   18
    1    H    SER  26           H        SER  26   7.594  -0.884 -11.128
    2    HA   SER  26           HA       SER  26   9.383  -0.661 -12.526
    3    HB2  SER  26           HB2      SER  26   8.220   1.821 -13.757
    4    HB3  SER  26           HB3      SER  26   9.288   0.621 -14.484
    5    HG   SER  26           HG       SER  26   7.599  -0.779 -14.662

  No H/Q in entry =           5
  In of MODEL   18
    1    H    VAL  27           H        VAL  27   8.153   2.540 -11.619
    2    HA   VAL  27           HA       VAL  27  10.718   3.067 -10.297
    3    HB   VAL  27           HB       VAL  27  10.585   4.186 -12.543
    4   HG13  VAL  27          HG11      VAL  27   9.169   6.115 -12.830
    5   HG12  VAL  27          HG12      VAL  27   8.514   5.922 -11.203
    6   HG11  VAL  27          HG13      VAL  27   8.168   4.716 -12.442
    7   HG22  VAL  27          HG21      VAL  27  11.573   6.221 -11.781
    8   HG21  VAL  27          HG22      VAL  27  12.001   4.960 -10.625
    9   HG23  VAL  27          HG23      VAL  27  10.729   6.118 -10.236

  No H/Q in entry =           9
  In of MODEL   18
    1    H    SER  28           H        SER  28   7.349   4.041 -10.685
    2    HA   SER  28           HA       SER  28   7.246   5.645  -8.352
    3    HB2  SER  28           HB2      SER  28   4.767   4.339  -9.357
    4    HB3  SER  28           HB3      SER  28   5.050   6.018  -8.900
    5    HG   SER  28           HG       SER  28   5.595   6.460 -10.887

  No H/Q in entry =           5
  In of MODEL   18
    1    H    SER  29           H        SER  29   8.091   4.471  -6.637
    2    HA   SER  29           HA       SER  29   6.412   2.235  -5.704
    3    HB2  SER  29           HB2      SER  29   8.323   1.211  -4.699
    4    HB3  SER  29           HB3      SER  29   8.809   1.651  -6.336
    5    HG   SER  29           HG       SER  29   9.781   3.533  -5.434

  No H/Q in entry =           5
  In of MODEL   18
    1    H    HIS  30           H        HIS  30   5.476   2.458  -3.763
    2    HA   HIS  30           HA       HIS  30   6.464   4.559  -1.967
    3    HB2  HIS  30           HB2      HIS  30   3.516   4.185  -2.434
    4    HB3  HIS  30           HB3      HIS  30   4.351   5.558  -1.713
    5    HD1  HIS  30           HD1      HIS  30   4.292   7.512  -3.225
    6    HD2  HIS  30           HD2      HIS  30   4.551   3.948  -5.339
    7    HE1  HIS  30           HE1      HIS  30   4.386   8.171  -5.654
    8    HE2  HIS  30           HE2      HIS  30   4.639   6.003  -6.902

  No H/Q in entry =           8
  In of MODEL   18
    1    H    TYR  31           H        TYR  31   7.013   3.565  -0.159
    2    HA   TYR  31           HA       TYR  31   6.143   1.035   0.659
    3    HB2  TYR  31           HB2      TYR  31   7.663   3.264   1.898
    4    HB3  TYR  31           HB3      TYR  31   6.971   2.073   2.994
    5    HD1  TYR  31           HD1      TYR  31   8.200   1.308  -0.405
    6    HD2  TYR  31           HD2      TYR  31   9.015   1.128   3.767
    7    HE1  TYR  31           HE1      TYR  31  10.094  -0.194  -0.846
    8    HE2  TYR  31           HE2      TYR  31  10.912  -0.375   3.338
    9    HH   TYR  31           HH       TYR  31  11.379  -1.974   0.467

  No H/Q in entry =           9
  In of MODEL   18
    1    H    CYS  32           H        CYS  32   4.261   0.391   1.457
    2    HA   CYS  32           HA       CYS  32   2.158   2.162   2.066
    3    HB2  CYS  32           HB2      CYS  32   2.264  -0.467   1.504
    4    HB3  CYS  32           HB3      CYS  32   2.085  -0.557   3.253

  No H/Q in entry =           4
  In of MODEL   18
    1    H    THR  33           H        THR  33   1.040   2.388   4.131
    2    HA   THR  33           HA       THR  33   2.965   2.563   6.344
    3    HB   THR  33           HB       THR  33   1.653   4.328   7.247
    4    HG1  THR  33           HG1      THR  33  -0.313   3.620   5.332
    5   HG22  THR  33          HG21      THR  33   1.466   4.791   4.286
    6   HG21  THR  33          HG22      THR  33   2.966   4.932   5.203
    7   HG23  THR  33          HG23      THR  33   1.606   5.993   5.570

  No H/Q in entry =           7
  In of MODEL   18
    1    H    GLY  34           H        GLY  34   1.133   0.251   5.391
    2    HA3  GLY  34           HA2      GLY  34  -0.195  -1.371   6.343
    3    HA2  GLY  34           HA3      GLY  34   0.771  -1.052   7.775

  No H/Q in entry =           3
  In of MODEL   18
    1    H    ARG  35           H        ARG  35  -1.275   1.414   6.406
    2    HA   ARG  35           HA       ARG  35  -3.135   1.062   8.665
    3    HB2  ARG  35           HB2      ARG  35  -1.556   3.091   8.692
    4    HB3  ARG  35           HB3      ARG  35  -2.539   3.714   7.374
    5    HG2  ARG  35           HG2      ARG  35  -4.310   4.158   8.716
    6    HG3  ARG  35           HG3      ARG  35  -3.964   2.812   9.805
    7    HD2  ARG  35           HD2      ARG  35  -1.978   4.997   9.752
    8    HD3  ARG  35           HD3      ARG  35  -3.551   5.392  10.444
    9    HE   ARG  35           HE       ARG  35  -1.522   3.853  11.660
   10   HH11  ARG  35          HH11      ARG  35  -4.989   3.960  11.275
   11   HH12  ARG  35          HH12      ARG  35  -5.306   3.145  12.770
   12   HH21  ARG  35          HH21      ARG  35  -1.937   2.780  13.626
   13   HH22  ARG  35          HH22      ARG  35  -3.573   2.476  14.105

  No H/Q in entry =          13
  In of MODEL   18
    1    H    SER  36           H        SER  36  -2.774   2.121   5.323
    2    HA   SER  36           HA       SER  36  -5.601   1.465   4.880
    3    HB2  SER  36           HB2      SER  36  -4.195   4.028   4.223
    4    HB3  SER  36           HB3      SER  36  -5.485   3.457   3.165
    5    HG   SER  36           HG       SER  36  -5.622   4.525   5.687

  No H/Q in entry =           5
  In of MODEL   18
    1    H    CYS  37           H        CYS  37  -6.114   0.832   2.716
    2    HA   CYS  37           HA       CYS  37  -3.993  -0.630   1.465
    3    HB2  CYS  37           HB2      CYS  37  -6.915  -0.261   0.831
    4    HB3  CYS  37           HB3      CYS  37  -5.840  -1.154  -0.240

  No H/Q in entry =           4
  In of MODEL   18
    1    H    GLU  38           H        GLU  38  -4.975   2.553   1.262
    2    HA   GLU  38           HA       GLU  38  -4.542   2.978  -1.544
    3    HB2  GLU  38           HB2      GLU  38  -5.773   4.423   0.408
    4    HB3  GLU  38           HB3      GLU  38  -4.238   5.272   0.288
    5    HG2  GLU  38           HG2      GLU  38  -5.988   6.242  -1.135
    6    HG3  GLU  38           HG3      GLU  38  -4.590   5.685  -2.052

  No H/Q in entry =           6
  In of MODEL   18
    1    H    CYS  39           H        CYS  39  -2.845   4.725  -2.160
    2    HA   CYS  39           HA       CYS  39  -0.341   4.267  -0.701
    3    HB2  CYS  39           HB2      CYS  39  -0.727   3.961  -3.681
    4    HB3  CYS  39           HB3      CYS  39   0.842   4.009  -2.885

  No H/Q in entry =           4
  In of MODEL   18
    1    HA   PRO  40           HA       PRO  40  -0.113   8.714  -0.966
    2    HB2  PRO  40           HB2      PRO  40   2.796   8.221  -0.632
    3    HB3  PRO  40           HB3      PRO  40   1.712   9.242   0.317
    4    HG2  PRO  40           HG2      PRO  40   2.592   6.916   1.280
    5    HG3  PRO  40           HG3      PRO  40   0.934   7.466   1.586
    6    HD2  PRO  40           HD2      PRO  40   1.925   5.407  -0.340
    7    HD3  PRO  40           HD3      PRO  40   0.452   5.411   0.652

  No H/Q in entry =           7
  In of MODEL   18
    1    H    SER  41           H        SER  41   1.437  10.329  -2.102
    2    HA   SER  41           HA       SER  41   1.871   9.320  -4.827
    3    HB2  SER  41           HB2      SER  41   1.370  11.445  -5.644
    4    HB3  SER  41           HB3      SER  41   0.303  11.329  -4.245
    5    HG   SER  41           HG       SER  41   1.581  12.691  -3.136

  No H/Q in entry =           5
  In of MODEL   18
    1    H    TYR  42           H        TYR  42   3.736   9.256  -2.405
    2    HA   TYR  42           HA       TYR  42   6.083  10.173  -3.872
    3    HB2  TYR  42           HB2      TYR  42   7.029  11.353  -2.006
    4    HB3  TYR  42           HB3      TYR  42   5.414  11.996  -2.280
    5    HD1  TYR  42           HD1      TYR  42   3.606  11.530  -0.694
    6    HD2  TYR  42           HD2      TYR  42   7.560  10.122  -0.004
    7    HE1  TYR  42           HE1      TYR  42   3.030  11.084   1.654
    8    HE2  TYR  42           HE2      TYR  42   6.997   9.671   2.345
    9    HH   TYR  42           HH       TYR  42   4.344  10.907   3.871

  No H/Q in entry =           9
  In of MODEL   18
    1    HA   PRO  43           HA       PRO  43   7.575   6.265  -2.426
    2    HB2  PRO  43           HB2      PRO  43  10.197   6.528  -2.949
    3    HB3  PRO  43           HB3      PRO  43   8.997   6.405  -4.243
    4    HG2  PRO  43           HG2      PRO  43  10.318   8.850  -3.115
    5    HG3  PRO  43           HG3      PRO  43  10.046   8.412  -4.813
    6    HD2  PRO  43           HD2      PRO  43   8.442  10.137  -3.457
    7    HD3  PRO  43           HD3      PRO  43   7.849   9.097  -4.767

  No H/Q in entry =           7
  In of MODEL   18
    1    H    GLY  44           H        GLY  44   9.065   5.285  -0.866
    2    HA3  GLY  44           HA2      GLY  44   9.004   6.567   1.631
    3    HA2  GLY  44           HA3      GLY  44   9.933   5.125   1.251

  No H/Q in entry =           3
  In of MODEL   18
    1    H    ASN  45           H        ASN  45  11.247   6.430   2.956
    2    HA   ASN  45           HA       ASN  45  13.175   7.529   3.451
    3    HB2  ASN  45           HB2      ASN  45  13.688   7.303   0.477
    4    HB3  ASN  45           HB3      ASN  45  14.894   7.660   1.709
    5   HD21  ASN  45          HD21      ASN  45  14.315   5.899   3.669
    6   HD22  ASN  45          HD22      ASN  45  14.520   4.279   3.104

  No H/Q in entry =           6
  In of MODEL   18
    1    H    GLY  46           H        GLY  46  11.960   9.411   4.029
    2    HA3  GLY  46           HA2      GLY  46  12.729  11.822   3.580
    3    HA2  GLY  46           HA3      GLY  46  11.977  11.559   2.014

  No H/Q in entry =           3
  In of MODEL   19
    1    H1   ALA   1           H3       ALA   1 -17.802   0.950   5.134
    2    H2   ALA   1           H2       ALA   1 -19.358   1.313   4.507
    3    H3   ALA   1           H1       ALA   1 -19.202   0.340   5.912
    4    HA   ALA   1           HA       ALA   1 -19.668  -1.118   4.223
    5    HB3  ALA   1           HB1      ALA   1 -17.739   0.544   2.640
    6    HB2  ALA   1           HB2      ALA   1 -19.418   0.144   2.278
    7    HB1  ALA   1           HB3      ALA   1 -18.168  -1.093   2.143

  No H/Q in entry =           7
  In of MODEL   19
    1    H    MET   2           H        MET   2 -18.863  -3.114   4.500
    2    HA   MET   2           HA       MET   2 -16.008  -3.394   5.148
    3    HB2  MET   2           HB2      MET   2 -18.337  -4.612   6.638
    4    HB3  MET   2           HB3      MET   2 -16.667  -5.123   6.848
    5    HG2  MET   2           HG2      MET   2 -16.133  -2.751   7.478
    6    HG3  MET   2           HG3      MET   2 -17.869  -2.449   7.502
    7    HE1  MET   2           HE1      MET   2 -15.230  -4.830   8.415
    8    HE3  MET   2           HE2      MET   2 -16.046  -5.899   9.555
    9    HE2  MET   2           HE3      MET   2 -15.078  -4.550  10.149

  No H/Q in entry =           9
  In of MODEL   19
    1    H    ASP   3           H        ASP   3 -15.850  -4.071   2.915
    2    HA   ASP   3           HA       ASP   3 -16.995  -6.723   2.373
    3    HB2  ASP   3           HB2      ASP   3 -15.859  -4.634   0.504
    4    HB3  ASP   3           HB3      ASP   3 -16.368  -6.241  -0.007

  No H/Q in entry =           4
  In of MODEL   19
    1    H    CYS   4           H        CYS   4 -13.979  -4.922   1.732
    2    HA   CYS   4           HA       CYS   4 -12.286  -6.849   2.870
    3    HB2  CYS   4           HB2      CYS   4 -13.178  -7.446   0.185
    4    HB3  CYS   4           HB3      CYS   4 -11.433  -7.211   0.219

  No H/Q in entry =           4
  In of MODEL   19
    1    H    THR   5           H        THR   5 -10.105  -6.241   2.809
    2    HA   THR   5           HA       THR   5  -9.635  -3.474   2.466
    3    HB   THR   5           HB       THR   5  -7.316  -5.329   2.544
    4    HG1  THR   5           HG1      THR   5  -8.468  -6.502   3.923
    5   HG23  THR   5          HG21      THR   5  -6.408  -3.426   3.226
    6   HG22  THR   5          HG22      THR   5  -7.253  -3.688   4.752
    7   HG21  THR   5          HG23      THR   5  -7.982  -2.680   3.501

  No H/Q in entry =           7
  In of MODEL   19
    1    H    THR   6           H        THR   6 -10.347  -3.270   0.221
    2    HA   THR   6           HA       THR   6  -8.485  -4.290  -1.785
    3    HB   THR   6           HB       THR   6 -10.232  -2.999  -3.295
    4    HG1  THR   6           HG1      THR   6 -11.558  -2.062  -1.894
    5   HG23  THR   6          HG21      THR   6 -10.589  -5.111  -3.848
    6   HG22  THR   6          HG22      THR   6 -11.813  -5.155  -2.579
    7   HG21  THR   6          HG23      THR   6 -10.164  -5.677  -2.233

  No H/Q in entry =           7
  In of MODEL   19
    1    H    GLY   7           H        GLY   7  -7.350  -2.953  -3.212
    2    HA3  GLY   7           HA2      GLY   7  -7.253  -0.432  -3.840
    3    HA2  GLY   7           HA3      GLY   7  -6.839  -0.267  -2.141

  No H/Q in entry =           3
  In of MODEL   19
    1    HA   PRO   8           HA       PRO   8  -2.994  -1.105  -4.732
    2    HB2  PRO   8           HB2      PRO   8  -1.782   1.293  -4.491
    3    HB3  PRO   8           HB3      PRO   8  -2.964   0.958  -5.762
    4    HG2  PRO   8           HG2      PRO   8  -3.334   2.394  -3.162
    5    HG3  PRO   8           HG3      PRO   8  -3.948   2.817  -4.771
    6    HD2  PRO   8           HD2      PRO   8  -5.463   1.582  -2.871
    7    HD3  PRO   8           HD3      PRO   8  -5.718   1.362  -4.614

  No H/Q in entry =           7
  In of MODEL   19
    1    H    CYS   9           H        CYS   9  -3.805  -0.189  -1.564
    2    HA   CYS   9           HA       CYS   9  -1.103  -0.900  -0.633
    3    HB2  CYS   9           HB2      CYS   9  -2.417   1.515  -0.207
    4    HB3  CYS   9           HB3      CYS   9  -2.642   0.637   1.299

  No H/Q in entry =           4
  In of MODEL   19
    1    H    CYS  10           H        CYS  10  -2.646  -2.991  -1.026
    2    HA   CYS  10           HA       CYS  10  -2.847  -4.215   1.469
    3    HB2  CYS  10           HB2      CYS  10  -5.447  -4.542   1.326
    4    HB3  CYS  10           HB3      CYS  10  -4.771  -3.125   2.119

  No H/Q in entry =           4
  In of MODEL   19
    1    H    ARG  11           H        ARG  11  -2.428  -6.246   1.040
    2    HA   ARG  11           HA       ARG  11  -2.740  -7.344  -1.574
    3    HB2  ARG  11           HB2      ARG  11  -1.106  -7.892   0.533
    4    HB3  ARG  11           HB3      ARG  11  -2.270  -9.202   0.672
    5    HG2  ARG  11           HG2      ARG  11  -1.557 -10.221  -1.212
    6    HG3  ARG  11           HG3      ARG  11  -1.180  -8.700  -2.024
    7    HD2  ARG  11           HD2      ARG  11   0.917  -8.567  -1.091
    8    HD3  ARG  11           HD3      ARG  11   0.471  -9.537   0.312
    9    HE   ARG  11           HE       ARG  11   1.485 -10.487  -2.199
   10   HH11  ARG  11          HH11      ARG  11  -0.414 -11.322   0.606
   11   HH12  ARG  11          HH12      ARG  11  -0.138 -13.024   0.441
   12   HH21  ARG  11          HH21      ARG  11   1.849 -12.724  -2.418
   13   HH22  ARG  11          HH22      ARG  11   1.147 -13.820  -1.275

  No H/Q in entry =          13
  In of MODEL   19
    1    H    GLN  12           H        GLN  12  -3.500 -10.042  -0.777
    2    HA   GLN  12           HA       GLN  12  -6.204  -9.980  -1.330
    3    HB2  GLN  12           HB2      GLN  12  -4.956 -12.155   0.322
    4    HB3  GLN  12           HB3      GLN  12  -6.286 -12.276  -0.819
    5    HG2  GLN  12           HG2      GLN  12  -4.728 -13.066  -2.212
    6    HG3  GLN  12           HG3      GLN  12  -4.310 -11.367  -2.431
    7   HE21  GLN  12          HE21      GLN  12  -2.547 -13.538  -2.801
    8   HE22  GLN  12          HE22      GLN  12  -1.281 -13.401  -1.634

  No H/Q in entry =           8
  In of MODEL   19
    1    H    CYS  13           H        CYS  13  -7.390  -8.616  -0.143
    2    HA   CYS  13           HA       CYS  13  -8.483  -7.684   1.642
    3    HB2  CYS  13           HB2      CYS  13  -9.464 -10.075   1.150
    4    HB3  CYS  13           HB3      CYS  13  -8.806 -10.447   2.739

  No H/Q in entry =           4
  In of MODEL   19
    1    H    LYS  14           H        LYS  14  -6.009  -7.144   2.276
    2    HA   LYS  14           HA       LYS  14  -5.964  -7.294   5.119
    3    HB2  LYS  14           HB2      LYS  14  -4.927  -9.528   4.076
    4    HB3  LYS  14           HB3      LYS  14  -3.499  -8.507   3.984
    5    HG2  LYS  14           HG2      LYS  14  -3.140  -9.293   6.056
    6    HG3  LYS  14           HG3      LYS  14  -4.259  -8.008   6.513
    7    HD2  LYS  14           HD2      LYS  14  -5.494 -10.567   5.725
    8    HD3  LYS  14           HD3      LYS  14  -4.564 -10.593   7.225
    9    HE2  LYS  14           HE2      LYS  14  -6.659  -8.515   6.646
   10    HE3  LYS  14           HE3      LYS  14  -7.035 -10.050   7.428
   11    HZ3  LYS  14           HZ1      LYS  14  -6.013  -9.436   9.332
   12    HZ2  LYS  14           HZ2      LYS  14  -6.394  -7.883   8.783
   13    HZ1  LYS  14           HZ3      LYS  14  -4.837  -8.501   8.554

  No H/Q in entry =          13
  In of MODEL   19
    1    H    LEU  15           H        LEU  15  -5.276  -5.340   5.693
    2    HA   LEU  15           HA       LEU  15  -4.219  -3.414   4.056
    3    HB2  LEU  15           HB2      LEU  15  -4.819  -3.617   6.762
    4    HB3  LEU  15           HB3      LEU  15  -3.114  -3.209   6.742
    5    HG   LEU  15           HG       LEU  15  -3.716  -1.274   5.219
    6   HD12  LEU  15          HD11      LEU  15  -6.174  -0.563   5.637
    7   HD11  LEU  15          HD12      LEU  15  -6.440  -2.284   5.915
    8   HD13  LEU  15          HD13      LEU  15  -5.813  -1.728   4.363
    9   HD23  LEU  15          HD21      LEU  15  -4.976  -0.141   7.306
   10   HD22  LEU  15          HD22      LEU  15  -3.240  -0.445   7.263
   11   HD21  LEU  15          HD23      LEU  15  -4.312  -1.574   8.091

  No H/Q in entry =          11
  In of MODEL   19
    1    H    LYS  16           H        LYS  16  -2.385  -3.267   2.961
    2    HA   LYS  16           HA       LYS  16  -0.336  -5.107   3.039
    3    HB2  LYS  16           HB2      LYS  16  -0.800  -2.525   1.779
    4    HB3  LYS  16           HB3      LYS  16   0.900  -2.779   2.146
    5    HG2  LYS  16           HG2      LYS  16  -0.484  -5.049   0.884
    6    HG3  LYS  16           HG3      LYS  16  -0.295  -3.607  -0.115
    7    HD2  LYS  16           HD2      LYS  16   2.175  -3.717   0.818
    8    HD3  LYS  16           HD3      LYS  16   1.772  -5.423   1.021
    9    HE2  LYS  16           HE2      LYS  16   1.234  -5.622  -1.319
   10    HE3  LYS  16           HE3      LYS  16   1.459  -3.889  -1.555
   11    HZ2  LYS  16           HZ1      LYS  16   3.545  -5.889  -0.882
   12    HZ1  LYS  16           HZ2      LYS  16   3.809  -4.219  -0.873
   13    HZ3  LYS  16           HZ3      LYS  16   3.401  -5.001  -2.316

  No H/Q in entry =          13
  In of MODEL   19
    1    HA   PRO  17           HA       PRO  17   1.880  -4.174   6.775
    2    HB2  PRO  17           HB2      PRO  17   4.330  -5.176   6.014
    3    HB3  PRO  17           HB3      PRO  17   2.994  -6.159   6.623
    4    HG2  PRO  17           HG2      PRO  17   3.849  -5.660   3.802
    5    HG3  PRO  17           HG3      PRO  17   3.302  -7.168   4.558
    6    HD2  PRO  17           HD2      PRO  17   1.679  -5.708   2.996
    7    HD3  PRO  17           HD3      PRO  17   1.066  -6.571   4.423

  No H/Q in entry =           7
  In of MODEL   19
    1    H    ALA  18           H        ALA  18   2.686  -2.277   7.393
    2    HA   ALA  18           HA       ALA  18   3.485  -0.230   5.736
    3    HB2  ALA  18           HB1      ALA  18   4.462   0.822   7.738
    4    HB1  ALA  18           HB2      ALA  18   4.300  -0.708   8.599
    5    HB3  ALA  18           HB3      ALA  18   2.861   0.148   8.044

  No H/Q in entry =           5
  In of MODEL   19
    1    H    GLY  19           H        GLY  19   5.528   0.711   5.241
    2    HA3  GLY  19           HA2      GLY  19   7.771   0.709   4.716
    3    HA2  GLY  19           HA3      GLY  19   7.982  -0.624   5.843

  No H/Q in entry =           3
  In of MODEL   19
    1    H    THR  20           H        THR  20   5.623  -0.946   3.340
    2    HA   THR  20           HA       THR  20   7.481  -2.586   1.757
    3    HB   THR  20           HB       THR  20   4.656  -3.318   2.550
    4    HG1  THR  20           HG1      THR  20   5.738  -5.059   3.589
    5   HG23  THR  20          HG21      THR  20   4.591  -4.934   1.034
    6   HG22  THR  20          HG22      THR  20   6.262  -5.408   1.346
    7   HG21  THR  20          HG23      THR  20   5.914  -4.086   0.233

  No H/Q in entry =           7
  In of MODEL   19
    1    H    THR  21           H        THR  21   7.594  -1.846  -0.243
    2    HA   THR  21           HA       THR  21   6.171   0.178  -1.400
    3    HB   THR  21           HB       THR  21   8.132  -0.534  -2.492
    4    HG1  THR  21           HG1      THR  21   7.106  -0.018  -4.247
    5   HG22  THR  21          HG21      THR  21   7.447  -3.037  -3.634
    6   HG21  THR  21          HG22      THR  21   7.241  -3.132  -1.883
    7   HG23  THR  21          HG23      THR  21   8.791  -2.633  -2.564

  No H/Q in entry =           7
  In of MODEL   19
    1    H    CYS  22           H        CYS  22   3.981   0.123  -1.084
    2    HA   CYS  22           HA       CYS  22   2.310  -2.081  -1.611
    3    HB2  CYS  22           HB2      CYS  22   0.480  -0.512  -1.412
    4    HB3  CYS  22           HB3      CYS  22   1.682  -0.171  -0.176

  No H/Q in entry =           4
  In of MODEL   19
    1    H    TRP  23           H        TRP  23   3.313   0.667  -3.578
    2    HA   TRP  23           HA       TRP  23   1.671  -0.228  -5.793
    3    HB2  TRP  23           HB2      TRP  23   2.383   2.256  -4.976
    4    HB3  TRP  23           HB3      TRP  23   3.584   1.973  -6.233
    5    HD1  TRP  23           HD1      TRP  23   0.931   0.100  -7.583
    6    HE1  TRP  23           HE1      TRP  23  -0.588   1.462  -9.152
    7    HE3  TRP  23           HE3      TRP  23   2.340   4.799  -6.178
    8    HZ2  TRP  23           HZ2      TRP  23  -1.114   4.174  -9.714
    9    HZ3  TRP  23           HZ3      TRP  23   1.286   6.728  -7.283
   10    HH2  TRP  23           HH2      TRP  23  -0.402   6.418  -9.018

  No H/Q in entry =          10
  In of MODEL   19
    1    H    LYS  24           H        LYS  24   5.065   0.789  -5.642
    2    HA   LYS  24           HA       LYS  24   6.949  -0.028  -6.628
    3    HB2  LYS  24           HB2      LYS  24   5.757  -2.235  -5.621
    4    HB3  LYS  24           HB3      LYS  24   5.750  -2.645  -7.330
    5    HG2  LYS  24           HG2      LYS  24   8.310  -1.608  -6.376
    6    HG3  LYS  24           HG3      LYS  24   7.804  -3.109  -5.598
    7    HD2  LYS  24           HD2      LYS  24   8.083  -4.321  -7.477
    8    HD3  LYS  24           HD3      LYS  24   7.445  -3.044  -8.514
    9    HE2  LYS  24           HE2      LYS  24   9.793  -3.470  -9.003
   10    HE3  LYS  24           HE3      LYS  24   9.569  -1.847  -8.352
   11    HZ1  LYS  24           HZ1      LYS  24  10.232  -4.036  -6.511
   12    HZ3  LYS  24           HZ2      LYS  24  10.599  -2.389  -6.398
   13    HZ2  LYS  24           HZ3      LYS  24  11.462  -3.375  -7.467

  No H/Q in entry =          13
  In of MODEL   19
    1    H    THR  25           H        THR  25   4.784   1.248  -8.138
    2    HA   THR  25           HA       THR  25   4.258   0.122 -10.606
    3    HB   THR  25           HB       THR  25   4.755   3.048 -10.012
    4    HG1  THR  25           HG1      THR  25   2.739   3.127  -9.297
    5   HG23  THR  25          HG21      THR  25   3.419   3.601 -11.851
    6   HG22  THR  25          HG22      THR  25   2.898   1.931 -12.080
    7   HG21  THR  25          HG23      THR  25   4.559   2.395 -12.446

  No H/Q in entry =           7
  In of MODEL   19
    1    H    SER  26           H        SER  26   5.204   0.384 -12.682
    2    HA   SER  26           HA       SER  26   7.845  -0.235 -12.948
    3    HB2  SER  26           HB2      SER  26   7.561   0.923 -15.302
    4    HB3  SER  26           HB3      SER  26   6.655  -0.538 -14.906
    5    HG   SER  26           HG       SER  26   5.638   2.072 -14.488

  No H/Q in entry =           5
  In of MODEL   19
    1    H    VAL  27           H        VAL  27   6.461   2.935 -12.528
    2    HA   VAL  27           HA       VAL  27   9.162   4.037 -12.272
    3    HB   VAL  27           HB       VAL  27   8.345   4.606 -14.546
    4   HG12  VAL  27          HG11      VAL  27   6.515   6.284 -14.733
    5   HG11  VAL  27          HG12      VAL  27   6.158   6.020 -13.025
    6   HG13  VAL  27          HG13      VAL  27   5.975   4.699 -14.179
    7   HG23  VAL  27          HG21      VAL  27   8.337   7.174 -13.041
    8   HG22  VAL  27          HG22      VAL  27   9.221   6.722 -14.499
    9   HG21  VAL  27          HG23      VAL  27   9.755   6.131 -12.925

  No H/Q in entry =           9
  In of MODEL   19
    1    H    SER  28           H        SER  28   7.017   3.245 -10.387
    2    HA   SER  28           HA       SER  28   7.116   5.580  -8.737
    3    HB2  SER  28           HB2      SER  28   4.337   5.049  -8.736
    4    HB3  SER  28           HB3      SER  28   5.156   6.514  -9.278
    5    HG   SER  28           HG       SER  28   3.778   5.413 -10.862

  No H/Q in entry =           5
  In of MODEL   19
    1    H    SER  29           H        SER  29   8.105   4.198  -7.267
    2    HA   SER  29           HA       SER  29   6.487   1.984  -6.218
    3    HB2  SER  29           HB2      SER  29   8.676   1.500  -4.928
    4    HB3  SER  29           HB3      SER  29   8.668   1.199  -6.666
    5    HG   SER  29           HG       SER  29   9.622   3.570  -5.429

  No H/Q in entry =           5
  In of MODEL   19
    1    H    HIS  30           H        HIS  30   5.384   2.260  -4.387
    2    HA   HIS  30           HA       HIS  30   6.285   4.334  -2.504
    3    HB2  HIS  30           HB2      HIS  30   3.392   3.799  -3.194
    4    HB3  HIS  30           HB3      HIS  30   4.027   5.099  -2.186
    5    HD1  HIS  30           HD1      HIS  30   3.773   7.229  -3.433
    6    HD2  HIS  30           HD2      HIS  30   4.919   4.108  -5.920
    7    HE1  HIS  30           HE1      HIS  30   4.088   8.256  -5.711
    8    HE2  HIS  30           HE2      HIS  30   4.917   6.377  -7.155

  No H/Q in entry =           8
  In of MODEL   19
    1    H    TYR  31           H        TYR  31   6.613   3.577  -0.540
    2    HA   TYR  31           HA       TYR  31   5.901   0.911   0.196
    3    HB2  TYR  31           HB2      TYR  31   7.287   3.190   1.563
    4    HB3  TYR  31           HB3      TYR  31   6.796   1.777   2.490
    5    HD1  TYR  31           HD1      TYR  31   8.116   1.923  -0.987
    6    HD2  TYR  31           HD2      TYR  31   8.815   0.748   3.041
    7    HE1  TYR  31           HE1      TYR  31  10.164   0.757  -1.688
    8    HE2  TYR  31           HE2      TYR  31  10.863  -0.421   2.353
    9    HH   TYR  31           HH       TYR  31  11.573  -1.463  -0.335

  No H/Q in entry =           9
  In of MODEL   19
    1    H    CYS  32           H        CYS  32   4.238   0.172   1.386
    2    HA   CYS  32           HA       CYS  32   2.002   1.865   1.882
    3    HB2  CYS  32           HB2      CYS  32   2.202  -0.773   1.516
    4    HB3  CYS  32           HB3      CYS  32   2.232  -0.761   3.274

  No H/Q in entry =           4
  In of MODEL   19
    1    H    THR  33           H        THR  33   1.043   2.356   3.928
    2    HA   THR  33           HA       THR  33   3.057   2.716   6.035
    3    HB   THR  33           HB       THR  33   1.605   4.498   6.890
    4    HG1  THR  33           HG1      THR  33  -0.045   3.891   4.666
    5   HG23  THR  33          HG21      THR  33   2.204   6.095   5.412
    6   HG22  THR  33          HG22      THR  33   1.644   5.174   4.016
    7   HG21  THR  33          HG23      THR  33   3.186   4.777   4.775

  No H/Q in entry =           7
  In of MODEL   19
    1    H    GLY  34           H        GLY  34   1.111   0.375   5.347
    2    HA3  GLY  34           HA2      GLY  34  -0.255  -1.097   6.486
    3    HA2  GLY  34           HA3      GLY  34   0.863  -0.781   7.803

  No H/Q in entry =           3
  In of MODEL   19
    1    H    ARG  35           H        ARG  35  -1.208   1.700   6.472
    2    HA   ARG  35           HA       ARG  35  -2.798   1.618   8.951
    3    HB2  ARG  35           HB2      ARG  35  -1.653   3.937   7.430
    4    HB3  ARG  35           HB3      ARG  35  -3.063   4.151   8.458
    5    HG2  ARG  35           HG2      ARG  35  -1.868   3.605  10.400
    6    HG3  ARG  35           HG3      ARG  35  -0.529   2.914   9.480
    7    HD2  ARG  35           HD2      ARG  35   0.388   4.933  10.005
    8    HD3  ARG  35           HD3      ARG  35  -0.417   5.368   8.498
    9    HE   ARG  35           HE       ARG  35  -2.245   5.814  10.526
   10   HH11  ARG  35          HH11      ARG  35   0.900   7.012   9.602
   11   HH12  ARG  35          HH12      ARG  35   0.643   8.581  10.288
   12   HH21  ARG  35          HH21      ARG  35  -2.585   7.877  11.430
   13   HH22  ARG  35          HH22      ARG  35  -1.336   9.072  11.326

  No H/Q in entry =          13
  In of MODEL   19
    1    H    SER  36           H        SER  36  -2.835   1.970   5.473
    2    HA   SER  36           HA       SER  36  -5.632   1.346   5.398
    3    HB2  SER  36           HB2      SER  36  -5.835   3.729   5.840
    4    HB3  SER  36           HB3      SER  36  -4.739   4.097   4.508
    5    HG   SER  36           HG       SER  36  -6.428   4.078   3.278

  No H/Q in entry =           5
  In of MODEL   19
    1    H    CYS  37           H        CYS  37  -6.444   1.578   3.030
    2    HA   CYS  37           HA       CYS  37  -4.583   0.106   1.395
    3    HB2  CYS  37           HB2      CYS  37  -7.467   0.885   1.149
    4    HB3  CYS  37           HB3      CYS  37  -6.598   0.282  -0.257

  No H/Q in entry =           4
  In of MODEL   19
    1    H    GLU  38           H        GLU  38  -5.079   3.356   1.900
    2    HA   GLU  38           HA       GLU  38  -4.732   4.230  -0.832
    3    HB2  GLU  38           HB2      GLU  38  -6.056   5.570   0.742
    4    HB3  GLU  38           HB3      GLU  38  -4.638   5.787   1.758
    5    HG2  GLU  38           HG2      GLU  38  -4.242   6.598  -1.020
    6    HG3  GLU  38           HG3      GLU  38  -5.484   7.515  -0.169

  No H/Q in entry =           6
  In of MODEL   19
    1    H    CYS  39           H        CYS  39  -2.842   4.329  -1.837
    2    HA   CYS  39           HA       CYS  39  -0.381   4.027  -0.342
    3    HB2  CYS  39           HB2      CYS  39  -1.059   4.052  -3.275
    4    HB3  CYS  39           HB3      CYS  39   0.612   4.116  -2.725

  No H/Q in entry =           4
  In of MODEL   19
    1    HA   PRO  40           HA       PRO  40   0.580   8.346  -0.220
    2    HB2  PRO  40           HB2      PRO  40   3.263   8.210   0.129
    3    HB3  PRO  40           HB3      PRO  40   2.113   7.808   1.410
    4    HG2  PRO  40           HG2      PRO  40   3.612   5.983  -0.431
    5    HG3  PRO  40           HG3      PRO  40   3.328   5.826   1.313
    6    HD2  PRO  40           HD2      PRO  40   1.880   4.470  -0.535
    7    HD3  PRO  40           HD3      PRO  40   1.199   4.996   1.018

  No H/Q in entry =           7
  In of MODEL   19
    1    H    SER  41           H        SER  41   2.110   9.951  -1.246
    2    HA   SER  41           HA       SER  41   2.441   9.256  -4.078
    3    HB2  SER  41           HB2      SER  41   2.703  12.075  -3.174
    4    HB3  SER  41           HB3      SER  41   1.926  11.420  -4.615
    5    HG   SER  41           HG       SER  41   0.162  10.843  -3.373

  No H/Q in entry =           5
  In of MODEL   19
    1    H    TYR  42           H        TYR  42   4.355   8.559  -1.933
    2    HA   TYR  42           HA       TYR  42   6.729   9.538  -3.265
    3    HB2  TYR  42           HB2      TYR  42   7.807  10.420  -1.302
    4    HB3  TYR  42           HB3      TYR  42   6.255  11.229  -1.481
    5    HD1  TYR  42           HD1      TYR  42   7.974   8.506   0.370
    6    HD2  TYR  42           HD2      TYR  42   4.691  11.210   0.270
    7    HE1  TYR  42           HE1      TYR  42   7.391   7.873   2.673
    8    HE2  TYR  42           HE2      TYR  42   4.099  10.586   2.574
    9    HH   TYR  42           HH       TYR  42   5.556   9.577   4.640

  No H/Q in entry =           9
  In of MODEL   19
    1    HA   PRO  43           HA       PRO  43   7.940   5.377  -2.414
    2    HB2  PRO  43           HB2      PRO  43  10.642   5.622  -2.703
    3    HB3  PRO  43           HB3      PRO  43   9.514   5.567  -4.061
    4    HG2  PRO  43           HG2      PRO  43  10.814   7.933  -2.774
    5    HG3  PRO  43           HG3      PRO  43  10.542   7.600  -4.493
    6    HD2  PRO  43           HD2      PRO  43   8.970   9.280  -3.071
    7    HD3  PRO  43           HD3      PRO  43   8.348   8.297  -4.411

  No H/Q in entry =           7
  In of MODEL   19
    1    H    GLY  44           H        GLY  44  10.865   6.890  -1.189
    2    HA3  GLY  44           HA2      GLY  44  10.026   6.295   1.563
    3    HA2  GLY  44           HA3      GLY  44  11.508   5.582   0.944

  No H/Q in entry =           3
  In of MODEL   19
    1    H    ASN  45           H        ASN  45  13.303   6.630   1.444
    2    HA   ASN  45           HA       ASN  45  14.767   8.276   2.005
    3    HB2  ASN  45           HB2      ASN  45  12.799   9.665   0.286
    4    HB3  ASN  45           HB3      ASN  45  13.785  10.703   1.311
    5   HD21  ASN  45          HD21      ASN  45  13.632   8.960  -1.556
    6   HD22  ASN  45          HD22      ASN  45  15.292   9.085  -2.018

  No H/Q in entry =           6
  In of MODEL   19
    1    H    GLY  46           H        GLY  46  11.816  10.214   2.379
    2    HA3  GLY  46           HA2      GLY  46  12.597  10.839   5.106
    3    HA2  GLY  46           HA3      GLY  46  11.266  11.556   4.211

  No H/Q in entry =           3
  In of MODEL   20
    1    H1   ALA   1           H1       ALA   1 -18.381  -4.913   8.349
    2    H2   ALA   1           H3       ALA   1 -19.400  -5.523   9.584
    3    H3   ALA   1           H2       ALA   1 -17.728  -5.287   9.891
    4    HA   ALA   1           HA       ALA   1 -18.010  -7.542   9.596
    5    HB1  ALA   1           HB1      ALA   1 -19.700  -6.739   7.247
    6    HB3  ALA   1           HB2      ALA   1 -20.150  -7.714   8.647
    7    HB2  ALA   1           HB3      ALA   1 -19.058  -8.372   7.428

  No H/Q in entry =           7
  In of MODEL   20
    1    H    MET   2           H        MET   2 -17.824  -5.935   6.417
    2    HA   MET   2           HA       MET   2 -15.112  -7.037   6.125
    3    HB2  MET   2           HB2      MET   2 -16.921  -6.025   3.930
    4    HB3  MET   2           HB3      MET   2 -15.422  -6.924   3.742
    5    HG2  MET   2           HG2      MET   2 -17.013  -8.540   3.376
    6    HG3  MET   2           HG3      MET   2 -16.640  -8.767   5.083
    7    HE3  MET   2           HE1      MET   2 -19.995  -6.403   3.304
    8    HE2  MET   2           HE2      MET   2 -20.160  -8.090   2.815
    9    HE1  MET   2           HE3      MET   2 -18.663  -7.218   2.484

  No H/Q in entry =           9
  In of MODEL   20
    1    H    ASP   3           H        ASP   3 -13.668  -5.559   6.758
    2    HA   ASP   3           HA       ASP   3 -14.093  -2.751   6.019
    3    HB2  ASP   3           HB2      ASP   3 -13.609  -3.466   8.435
    4    HB3  ASP   3           HB3      ASP   3 -11.965  -3.779   7.889

  No H/Q in entry =           4
  In of MODEL   20
    1    H    CYS   4           H        CYS   4 -13.385  -4.392   3.932
    2    HA   CYS   4           HA       CYS   4 -10.516  -4.217   3.540
    3    HB2  CYS   4           HB2      CYS   4 -12.573  -5.063   1.503
    4    HB3  CYS   4           HB3      CYS   4 -10.858  -5.456   1.535

  No H/Q in entry =           4
  In of MODEL   20
    1    H    THR   5           H        THR   5  -9.947  -3.493   1.145
    2    HA   THR   5           HA       THR   5 -11.418  -1.275   0.110
    3    HB   THR   5           HB       THR   5  -8.814  -0.699   1.539
    4    HG1  THR   5           HG1      THR   5 -11.430   0.260   2.057
    5   HG21  THR   5          HG21      THR   5 -10.536   1.017  -0.208
    6   HG23  THR   5          HG22      THR   5  -8.794   0.753  -0.284
    7   HG22  THR   5          HG23      THR   5  -9.486   1.702   1.032

  No H/Q in entry =           7
  In of MODEL   20
    1    H    THR   6           H        THR   6 -11.039  -3.068  -1.508
    2    HA   THR   6           HA       THR   6  -8.716  -3.864  -2.640
    3    HB   THR   6           HB       THR   6 -10.073  -3.613  -4.898
    4    HG1  THR   6           HG1      THR   6 -12.101  -3.053  -4.670
    5   HG22  THR   6          HG21      THR   6 -11.689  -5.423  -3.451
    6   HG21  THR   6          HG22      THR   6 -10.040  -5.559  -2.838
    7   HG23  THR   6          HG23      THR   6 -10.362  -5.773  -4.559

  No H/Q in entry =           7
  In of MODEL   20
    1    H    GLY   7           H        GLY   7  -6.963  -2.690  -3.034
    2    HA3  GLY   7           HA2      GLY   7  -7.126  -0.540  -4.981
    3    HA2  GLY   7           HA3      GLY   7  -6.560  -0.070  -3.385

  No H/Q in entry =           3
  In of MODEL   20
    1    HA   PRO   8           HA       PRO   8  -2.821  -1.378  -5.726
    2    HB2  PRO   8           HB2      PRO   8  -1.236   0.661  -4.992
    3    HB3  PRO   8           HB3      PRO   8  -2.429   0.830  -6.286
    4    HG2  PRO   8           HG2      PRO   8  -2.604   1.697  -3.425
    5    HG3  PRO   8           HG3      PRO   8  -3.090   2.571  -4.890
    6    HD2  PRO   8           HD2      PRO   8  -4.841   1.214  -3.286
    7    HD3  PRO   8           HD3      PRO   8  -5.101   1.475  -5.021

  No H/Q in entry =           7
  In of MODEL   20
    1    H    CYS   9           H        CYS   9  -3.421  -0.622  -2.381
    2    HA   CYS   9           HA       CYS   9  -1.219  -2.419  -1.630
    3    HB2  CYS   9           HB2      CYS   9  -0.513  -0.102  -1.193
    4    HB3  CYS   9           HB3      CYS   9  -1.943   0.145  -0.197

  No H/Q in entry =           4
  In of MODEL   20
    1    H    CYS  10           H        CYS  10  -3.551  -3.570  -1.865
    2    HA   CYS  10           HA       CYS  10  -4.609  -3.751   0.874
    3    HB2  CYS  10           HB2      CYS  10  -6.053  -2.925  -1.291
    4    HB3  CYS  10           HB3      CYS  10  -6.390  -4.652  -1.288

  No H/Q in entry =           4
  In of MODEL   20
    1    H    ARG  11           H        ARG  11  -3.436  -5.480   1.572
    2    HA   ARG  11           HA       ARG  11  -2.768  -7.743   0.064
    3    HB2  ARG  11           HB2      ARG  11  -1.785  -7.010   2.286
    4    HB3  ARG  11           HB3      ARG  11  -3.201  -7.720   3.049
    5    HG2  ARG  11           HG2      ARG  11  -2.510  -9.845   2.680
    6    HG3  ARG  11           HG3      ARG  11  -1.693  -9.435   1.170
    7    HD2  ARG  11           HD2      ARG  11   0.152  -8.470   2.364
    8    HD3  ARG  11           HD3      ARG  11  -0.691  -8.650   3.902
    9    HE   ARG  11           HE       ARG  11   0.764 -10.675   2.474
   10   HH11  ARG  11          HH11      ARG  11  -1.758 -10.079   4.811
   11   HH12  ARG  11          HH12      ARG  11  -1.605 -11.633   5.558
   12   HH21  ARG  11          HH21      ARG  11   0.967 -12.720   3.455
   13   HH22  ARG  11          HH22      ARG  11  -0.058 -13.133   4.789

  No H/Q in entry =          13
  In of MODEL   20
    1    H    GLN  12           H        GLN  12  -4.650  -8.358  -1.075
    2    HA   GLN  12           HA       GLN  12  -6.406  -9.753  -1.462
    3    HB2  GLN  12           HB2      GLN  12  -5.131 -11.125   0.349
    4    HB3  GLN  12           HB3      GLN  12  -6.438 -10.613   1.408
    5    HG2  GLN  12           HG2      GLN  12  -7.940 -11.523  -0.544
    6    HG3  GLN  12           HG3      GLN  12  -6.493 -12.455  -0.923
    7   HE21  GLN  12          HE21      GLN  12  -7.175 -14.442  -0.344
    8   HE22  GLN  12          HE22      GLN  12  -7.632 -14.887   1.262

  No H/Q in entry =           8
  In of MODEL   20
    1    H    CYS  13           H        CYS  13  -6.873  -8.708   1.900
    2    HA   CYS  13           HA       CYS  13  -9.143  -7.081   1.111
    3    HB2  CYS  13           HB2      CYS  13  -9.595  -9.692   1.915
    4    HB3  CYS  13           HB3      CYS  13  -9.862  -8.764   3.387

  No H/Q in entry =           4
  In of MODEL   20
    1    H    LYS  14           H        LYS  14  -6.410  -6.880   2.458
    2    HA   LYS  14           HA       LYS  14  -7.245  -4.996   4.478
    3    HB2  LYS  14           HB2      LYS  14  -5.838  -7.558   5.157
    4    HB3  LYS  14           HB3      LYS  14  -5.535  -6.110   6.108
    5    HG2  LYS  14           HG2      LYS  14  -8.020  -5.955   6.465
    6    HG3  LYS  14           HG3      LYS  14  -8.141  -7.559   5.738
    7    HD2  LYS  14           HD2      LYS  14  -6.136  -7.289   7.878
    8    HD3  LYS  14           HD3      LYS  14  -7.816  -7.107   8.388
    9    HE2  LYS  14           HE2      LYS  14  -8.061  -9.277   6.837
   10    HE3  LYS  14           HE3      LYS  14  -6.386  -9.480   7.348
   11    HZ3  LYS  14           HZ1      LYS  14  -7.057  -9.453   9.622
   12    HZ2  LYS  14           HZ2      LYS  14  -8.032 -10.575   8.815
   13    HZ1  LYS  14           HZ3      LYS  14  -8.651  -9.054   9.219

  No H/Q in entry =          13
  In of MODEL   20
    1    H    LEU  15           H        LEU  15  -5.982  -3.271   4.289
    2    HA   LEU  15           HA       LEU  15  -4.002  -2.904   2.482
    3    HB2  LEU  15           HB2      LEU  15  -3.097  -1.125   4.182
    4    HB3  LEU  15           HB3      LEU  15  -4.634  -0.911   3.374
    5    HG   LEU  15           HG       LEU  15  -4.457  -0.387   5.890
    6   HD11  LEU  15          HD11      LEU  15  -6.543  -1.147   4.245
    7   HD13  LEU  15          HD12      LEU  15  -6.671  -0.366   5.820
    8   HD12  LEU  15          HD13      LEU  15  -6.762  -2.123   5.697
    9   HD22  LEU  15          HD21      LEU  15  -4.877  -2.249   7.387
   10   HD21  LEU  15          HD22      LEU  15  -3.344  -2.464   6.545
   11   HD23  LEU  15          HD23      LEU  15  -4.761  -3.383   6.043

  No H/Q in entry =          11
  In of MODEL   20
    1    H    LYS  16           H        LYS  16  -1.914  -3.366   2.226
    2    HA   LYS  16           HA       LYS  16  -0.679  -5.370   3.693
    3    HB2  LYS  16           HB2      LYS  16   0.836  -3.260   2.161
    4    HB3  LYS  16           HB3      LYS  16   1.284  -4.940   2.419
    5    HG2  LYS  16           HG2      LYS  16  -0.897  -5.456   1.113
    6    HG3  LYS  16           HG3      LYS  16  -0.741  -3.790   0.554
    7    HD2  LYS  16           HD2      LYS  16   1.366  -4.226  -0.440
    8    HD3  LYS  16           HD3      LYS  16   1.501  -5.790   0.366
    9    HE2  LYS  16           HE2      LYS  16  -0.799  -6.159  -0.974
   10    HE3  LYS  16           HE3      LYS  16  -0.001  -5.020  -2.059
   11    HZ3  LYS  16           HZ1      LYS  16   0.595  -7.189  -2.745
   12    HZ2  LYS  16           HZ2      LYS  16   0.999  -7.668  -1.174
   13    HZ1  LYS  16           HZ3      LYS  16   1.962  -6.540  -1.987

  No H/Q in entry =          13
  In of MODEL   20
    1    HA   PRO  17           HA       PRO  17   1.242  -3.566   7.222
    2    HB2  PRO  17           HB2      PRO  17   3.926  -4.490   6.452
    3    HB3  PRO  17           HB3      PRO  17   2.924  -4.973   7.822
    4    HG2  PRO  17           HG2      PRO  17   3.375  -6.611   5.736
    5    HG3  PRO  17           HG3      PRO  17   1.839  -6.613   6.622
    6    HD2  PRO  17           HD2      PRO  17   2.504  -5.379   3.977
    7    HD3  PRO  17           HD3      PRO  17   1.033  -6.236   4.484

  No H/Q in entry =           7
  In of MODEL   20
    1    H    ALA  18           H        ALA  18   2.143  -1.670   7.867
    2    HA   ALA  18           HA       ALA  18   2.803   0.302   6.002
    3    HB1  ALA  18           HB1      ALA  18   3.879   0.554   8.755
    4    HB2  ALA  18           HB2      ALA  18   2.133   0.394   8.570
    5    HB3  ALA  18           HB3      ALA  18   2.986   1.718   7.776

  No H/Q in entry =           5
  In of MODEL   20
    1    H    GLY  19           H        GLY  19   4.760   1.233   5.373
    2    HA3  GLY  19           HA2      GLY  19   7.038   1.373   5.009
    3    HA2  GLY  19           HA3      GLY  19   7.278   0.235   6.327

  No H/Q in entry =           3
  In of MODEL   20
    1    H    THR  20           H        THR  20   5.081  -0.716   3.868
    2    HA   THR  20           HA       THR  20   7.143  -2.471   2.703
    3    HB   THR  20           HB       THR  20   4.207  -3.048   3.154
    4    HG1  THR  20           HG1      THR  20   6.569  -3.970   4.401
    5   HG22  THR  20          HG21      THR  20   5.975  -5.271   2.480
    6   HG21  THR  20          HG22      THR  20   5.695  -4.135   1.160
    7   HG23  THR  20          HG23      THR  20   4.329  -4.921   1.953

  No H/Q in entry =           7
  In of MODEL   20
    1    H    THR  21           H        THR  21   7.497  -2.198   0.597
    2    HA   THR  21           HA       THR  21   6.247  -0.263  -0.956
    3    HB   THR  21           HB       THR  21   7.244  -2.314  -2.683
    4    HG1  THR  21           HG1      THR  21   9.139  -2.832  -1.764
    5   HG22  THR  21          HG21      THR  21   9.263  -0.484  -2.435
    6   HG21  THR  21          HG22      THR  21   7.827   0.451  -2.013
    7   HG23  THR  21          HG23      THR  21   7.910  -0.388  -3.563

  No H/Q in entry =           7
  In of MODEL   20
    1    H    CYS  22           H        CYS  22   4.344  -0.166  -1.924
    2    HA   CYS  22           HA       CYS  22   2.840  -2.664  -2.298
    3    HB2  CYS  22           HB2      CYS  22   0.834  -1.139  -2.361
    4    HB3  CYS  22           HB3      CYS  22   1.681  -1.198  -0.820

  No H/Q in entry =           4
  In of MODEL   20
    1    H    TRP  23           H        TRP  23   4.107   0.138  -3.927
    2    HA   TRP  23           HA       TRP  23   2.742  -0.657  -6.395
    3    HB2  TRP  23           HB2      TRP  23   3.021   1.828  -5.317
    4    HB3  TRP  23           HB3      TRP  23   4.372   1.793  -6.445
    5    HD1  TRP  23           HD1      TRP  23   2.155  -0.272  -8.232
    6    HE1  TRP  23           HE1      TRP  23   0.639   1.025  -9.857
    7    HE3  TRP  23           HE3      TRP  23   2.755   4.425  -6.318
    8    HZ2  TRP  23           HZ2      TRP  23  -0.192   3.687 -10.271
    9    HZ3  TRP  23           HZ3      TRP  23   1.567   6.296  -7.390
   10    HH2  TRP  23           HH2      TRP  23   0.128   5.931  -9.328

  No H/Q in entry =          10
  In of MODEL   20
    1    H    LYS  24           H        LYS  24   5.895   0.862  -5.824
    2    HA   LYS  24           HA       LYS  24   7.945   0.473  -6.739
    3    HB2  LYS  24           HB2      LYS  24   7.648  -1.570  -5.310
    4    HB3  LYS  24           HB3      LYS  24   7.086  -2.421  -6.742
    5    HG2  LYS  24           HG2      LYS  24   9.228  -3.018  -6.963
    6    HG3  LYS  24           HG3      LYS  24   9.441  -1.396  -7.625
    7    HD2  LYS  24           HD2      LYS  24  10.355  -0.574  -5.659
    8    HD3  LYS  24           HD3      LYS  24   9.633  -1.848  -4.674
    9    HE2  LYS  24           HE2      LYS  24  11.150  -3.470  -5.858
   10    HE3  LYS  24           HE3      LYS  24  11.967  -2.076  -6.564
   11    HZ3  LYS  24           HZ1      LYS  24  12.827  -1.445  -4.548
   12    HZ2  LYS  24           HZ2      LYS  24  12.852  -3.128  -4.384
   13    HZ1  LYS  24           HZ3      LYS  24  11.625  -2.226  -3.647

  No H/Q in entry =          13
  In of MODEL   20
    1    H    THR  25           H        THR  25   5.812   1.091  -8.548
    2    HA   THR  25           HA       THR  25   5.656  -0.511 -10.809
    3    HB   THR  25           HB       THR  25   4.243   1.486 -10.383
    4    HG1  THR  25           HG1      THR  25   3.873   1.420 -12.431
    5   HG23  THR  25          HG21      THR  25   5.017   3.545 -10.189
    6   HG22  THR  25          HG22      THR  25   5.952   3.403 -11.678
    7   HG21  THR  25          HG23      THR  25   6.637   2.854 -10.150

  No H/Q in entry =           7
  In of MODEL   20
    1    H    SER  26           H        SER  26   6.493   0.400 -13.025
    2    HA   SER  26           HA       SER  26   9.218  -0.203 -13.158
    3    HB2  SER  26           HB2      SER  26   7.511   1.237 -15.198
    4    HB3  SER  26           HB3      SER  26   9.073   0.483 -15.516
    5    HG   SER  26           HG       SER  26   8.194  -1.494 -15.216

  No H/Q in entry =           5
  In of MODEL   20
    1    H    VAL  27           H        VAL  27   7.654   2.837 -12.562
    2    HA   VAL  27           HA       VAL  27  10.245   4.093 -12.241
    3    HB   VAL  27           HB       VAL  27   8.244   5.362 -14.113
    4   HG11  VAL  27          HG11      VAL  27  10.819   6.198 -12.915
    5   HG13  VAL  27          HG12      VAL  27   9.408   7.158 -13.358
    6   HG12  VAL  27          HG13      VAL  27  10.540   6.629 -14.602
    7   HG22  VAL  27          HG21      VAL  27   9.157   3.434 -15.221
    8   HG21  VAL  27          HG22      VAL  27  10.794   3.875 -14.732
    9   HG23  VAL  27          HG23      VAL  27   9.918   4.879 -15.887

  No H/Q in entry =           9
  In of MODEL   20
    1    H    SER  28           H        SER  28   8.490   3.479 -10.265
    2    HA   SER  28           HA       SER  28   8.186   5.847  -8.865
    3    HB2  SER  28           HB2      SER  28   6.043   5.418 -10.752
    4    HB3  SER  28           HB3      SER  28   5.415   5.396  -9.105
    5    HG   SER  28           HG       SER  28   6.291   7.424  -8.770

  No H/Q in entry =           5
  In of MODEL   20
    1    H    SER  29           H        SER  29   9.032   4.420  -7.307
    2    HA   SER  29           HA       SER  29   7.282   2.271  -6.373
    3    HB2  SER  29           HB2      SER  29   9.965   2.912  -5.176
    4    HB3  SER  29           HB3      SER  29   9.138   1.358  -5.278
    5    HG   SER  29           HG       SER  29  10.223   1.044  -7.036

  No H/Q in entry =           5
  In of MODEL   20
    1    H    HIS  30           H        HIS  30   5.941   2.565  -4.739
    2    HA   HIS  30           HA       HIS  30   6.468   4.777  -2.867
    3    HB2  HIS  30           HB2      HIS  30   3.785   3.637  -3.678
    4    HB3  HIS  30           HB3      HIS  30   4.052   4.998  -2.591
    5    HD1  HIS  30           HD1      HIS  30   3.141   6.927  -3.880
    6    HD2  HIS  30           HD2      HIS  30   5.640   4.538  -6.184
    7    HE1  HIS  30           HE1      HIS  30   3.409   8.145  -6.063
    8    HE2  HIS  30           HE2      HIS  30   4.997   6.724  -7.408

  No H/Q in entry =           8
  In of MODEL   20
    1    H    TYR  31           H        TYR  31   5.302   4.443  -0.716
    2    HA   TYR  31           HA       TYR  31   5.503   1.622   0.107
    3    HB2  TYR  31           HB2      TYR  31   6.715   4.071   1.317
    4    HB3  TYR  31           HB3      TYR  31   6.224   2.756   2.379
    5    HD1  TYR  31           HD1      TYR  31   7.389   0.635   2.353
    6    HD2  TYR  31           HD2      TYR  31   8.549   3.783  -0.261
    7    HE1  TYR  31           HE1      TYR  31   9.495  -0.541   1.885
    8    HE2  TYR  31           HE2      TYR  31  10.659   2.617  -0.740
    9    HH   TYR  31           HH       TYR  31  11.217  -0.630   0.186

  No H/Q in entry =           9
  In of MODEL   20
    1    H    CYS  32           H        CYS  32   4.191   0.990   1.892
    2    HA   CYS  32           HA       CYS  32   1.725   2.543   2.056
    3    HB2  CYS  32           HB2      CYS  32   2.210  -0.173   1.819
    4    HB3  CYS  32           HB3      CYS  32   1.764   0.012   3.511

  No H/Q in entry =           4
  In of MODEL   20
    1    H    THR  33           H        THR  33   0.652   2.803   4.143
    2    HA   THR  33           HA       THR  33   2.605   3.178   6.317
    3    HB   THR  33           HB       THR  33   1.452   5.109   7.021
    4    HG1  THR  33           HG1      THR  33  -0.637   4.891   6.963
    5   HG21  THR  33          HG21      THR  33   1.300   5.152   4.017
    6   HG23  THR  33          HG22      THR  33   2.702   5.583   4.996
    7   HG22  THR  33          HG23      THR  33   1.236   6.560   5.077

  No H/Q in entry =           7
  In of MODEL   20
    1    H    GLY  34           H        GLY  34   0.821   0.837   5.611
    2    HA3  GLY  34           HA2      GLY  34  -0.552  -0.666   6.680
    3    HA2  GLY  34           HA3      GLY  34   0.246  -0.096   8.137

  No H/Q in entry =           3
  In of MODEL   20
    1    H    ARG  35           H        ARG  35  -1.645   2.089   6.203
    2    HA   ARG  35           HA       ARG  35  -3.694   2.105   8.316
    3    HB2  ARG  35           HB2      ARG  35  -2.577   4.314   6.608
    4    HB3  ARG  35           HB3      ARG  35  -4.115   4.482   7.443
    5    HG2  ARG  35           HG2      ARG  35  -1.538   3.803   8.836
    6    HG3  ARG  35           HG3      ARG  35  -2.139   5.450   8.631
    7    HD2  ARG  35           HD2      ARG  35  -4.286   4.614   9.733
    8    HD3  ARG  35           HD3      ARG  35  -3.352   3.194  10.202
    9    HE   ARG  35           HE       ARG  35  -2.368   4.448  11.830
   10   HH11  ARG  35          HH11      ARG  35  -3.707   6.611   9.441
   11   HH12  ARG  35          HH12      ARG  35  -3.343   8.040  10.349
   12   HH21  ARG  35          HH21      ARG  35  -1.890   6.327  13.026
   13   HH22  ARG  35          HH22      ARG  35  -2.311   7.879  12.384

  No H/Q in entry =          13
  In of MODEL   20
    1    H    SER  36           H        SER  36  -3.483   3.249   4.965
    2    HA   SER  36           HA       SER  36  -6.137   2.080   4.478
    3    HB2  SER  36           HB2      SER  36  -4.761   4.147   2.759
    4    HB3  SER  36           HB3      SER  36  -6.470   3.713   2.776
    5    HG   SER  36           HG       SER  36  -5.034   4.989   4.867

  No H/Q in entry =           5
  In of MODEL   20
    1    H    CYS  37           H        CYS  37  -6.445   1.463   2.071
    2    HA   CYS  37           HA       CYS  37  -4.306  -0.401   1.429
    3    HB2  CYS  37           HB2      CYS  37  -7.171  -0.136   0.578
    4    HB3  CYS  37           HB3      CYS  37  -6.058  -1.135  -0.350

  No H/Q in entry =           4
  In of MODEL   20
    1    H    GLU  38           H        GLU  38  -4.648   2.690   0.795
    2    HA   GLU  38           HA       GLU  38  -3.989   2.523  -2.062
    3    HB2  GLU  38           HB2      GLU  38  -4.275   5.037  -1.975
    4    HB3  GLU  38           HB3      GLU  38  -5.732   4.093  -1.695
    5    HG2  GLU  38           HG2      GLU  38  -5.600   4.477   0.666
    6    HG3  GLU  38           HG3      GLU  38  -4.032   5.265   0.492

  No H/Q in entry =           6
  In of MODEL   20
    1    H    CYS  39           H        CYS  39  -2.120   3.545  -2.879
    2    HA   CYS  39           HA       CYS  39   0.065   3.639  -0.952
    3    HB2  CYS  39           HB2      CYS  39   0.122   3.727  -3.975
    4    HB3  CYS  39           HB3      CYS  39   1.532   3.622  -2.928

  No H/Q in entry =           4
  In of MODEL   20
    1    HA   PRO  40           HA       PRO  40  -0.234   8.125  -0.918
    2    HB2  PRO  40           HB2      PRO  40   2.044   8.535   0.542
    3    HB3  PRO  40           HB3      PRO  40   0.484   8.111   1.255
    4    HG2  PRO  40           HG2      PRO  40   2.823   6.352   0.628
    5    HG3  PRO  40           HG3      PRO  40   1.779   6.359   2.062
    6    HD2  PRO  40           HD2      PRO  40   1.477   4.548   0.097
    7    HD3  PRO  40           HD3      PRO  40   0.087   5.198   0.991

  No H/Q in entry =           7
  In of MODEL   20
    1    H    SER  41           H        SER  41   1.108   9.928  -1.642
    2    HA   SER  41           HA       SER  41   2.665   9.203  -3.958
    3    HB2  SER  41           HB2      SER  41   2.903  11.817  -4.031
    4    HB3  SER  41           HB3      SER  41   1.351  11.069  -4.404
    5    HG   SER  41           HG       SER  41   0.567  12.164  -2.807

  No H/Q in entry =           5
  In of MODEL   20
    1    H    TYR  42           H        TYR  42   4.094   8.114  -2.109
    2    HA   TYR  42           HA       TYR  42   6.298   9.990  -1.567
    3    HB2  TYR  42           HB2      TYR  42   4.974   7.995   0.179
    4    HB3  TYR  42           HB3      TYR  42   6.727   8.106   0.303
    5    HD1  TYR  42           HD1      TYR  42   7.768  10.312   0.886
    6    HD2  TYR  42           HD2      TYR  42   3.577   9.640   1.136
    7    HE1  TYR  42           HE1      TYR  42   7.547  12.283   2.335
    8    HE2  TYR  42           HE2      TYR  42   3.338  11.608   2.586
    9    HH   TYR  42           HH       TYR  42   5.076  13.936   2.830

  No H/Q in entry =           9
  In of MODEL   20
    1    HA   PRO  43           HA       PRO  43   8.243   6.925  -4.294
    2    HB2  PRO  43           HB2      PRO  43  10.411   8.438  -4.881
    3    HB3  PRO  43           HB3      PRO  43   8.845   8.673  -5.668
    4    HG2  PRO  43           HG2      PRO  43  10.063  10.187  -3.385
    5    HG3  PRO  43           HG3      PRO  43   9.210  10.810  -4.810
    6    HD2  PRO  43           HD2      PRO  43   8.014  10.554  -2.398
    7    HD3  PRO  43           HD3      PRO  43   7.132  10.347  -3.924

  No H/Q in entry =           7
  In of MODEL   20
    1    H    GLY  44           H        GLY  44   9.430   8.516  -1.441
    2    HA3  GLY  44           HA2      GLY  44  11.602   6.540  -1.202
    3    HA2  GLY  44           HA3      GLY  44  11.538   8.079  -0.356

  No H/Q in entry =           3
  In of MODEL   20
    1    H    ASN  45           H        ASN  45   9.929   8.330   1.338
    2    HA   ASN  45           HA       ASN  45   8.904   7.662   3.254
    3    HB2  ASN  45           HB2      ASN  45   7.636   6.300   1.287
    4    HB3  ASN  45           HB3      ASN  45   8.234   4.958   2.258
    5   HD21  ASN  45          HD21      ASN  45   5.629   6.767   1.765
    6   HD22  ASN  45          HD22      ASN  45   4.921   6.754   3.341

  No H/Q in entry =           6
  In of MODEL   20
    1    H    GLY  46           H        GLY  46  10.688   7.532   4.578
    2    HA3  GLY  46           HA2      GLY  46  11.329   4.955   5.603
    3    HA2  GLY  46           HA3      GLY  46  12.647   5.578   4.622

  No H/Q in entry =           3
  In of MODEL   21
    1    H1   ALA   1           H3       ALA   1 -17.855  -8.008   7.699
    2    H2   ALA   1           H2       ALA   1 -16.849  -7.502   8.994
    3    H3   ALA   1           H1       ALA   1 -18.245  -8.449   9.308
    4    HA   ALA   1           HA       ALA   1 -19.671  -6.762   8.904
    5    HB3  ALA   1           HB1      ALA   1 -18.887  -6.107  10.932
    6    HB2  ALA   1           HB2      ALA   1 -18.397  -4.696   9.994
    7    HB1  ALA   1           HB3      ALA   1 -17.223  -5.958  10.366

  No H/Q in entry =           7
  In of MODEL   21
    1    H    MET   2           H        MET   2 -16.450  -5.689   7.823
    2    HA   MET   2           HA       MET   2 -17.763  -3.904   5.893
    3    HB2  MET   2           HB2      MET   2 -14.946  -3.930   6.984
    4    HB3  MET   2           HB3      MET   2 -15.483  -2.865   5.692
    5    HG2  MET   2           HG2      MET   2 -17.132  -1.873   7.204
    6    HG3  MET   2           HG3      MET   2 -16.570  -2.929   8.498
    7    HE2  MET   2           HE1      MET   2 -13.179  -1.542   9.517
    8    HE1  MET   2           HE2      MET   2 -13.629  -3.022   8.669
    9    HE3  MET   2           HE3      MET   2 -14.607  -2.446  10.019

  No H/Q in entry =           9
  In of MODEL   21
    1    H    ASP   3           H        ASP   3 -16.247  -3.592   3.863
    2    HA   ASP   3           HA       ASP   3 -16.175  -6.164   2.568
    3    HB2  ASP   3           HB2      ASP   3 -15.844  -3.324   1.693
    4    HB3  ASP   3           HB3      ASP   3 -15.250  -4.609   0.646

  No H/Q in entry =           4
  In of MODEL   21
    1    H    CYS   4           H        CYS   4 -14.187  -6.373   0.936
    2    HA   CYS   4           HA       CYS   4 -11.858  -6.629   2.657
    3    HB2  CYS   4           HB2      CYS   4 -12.570  -7.682  -0.069
    4    HB3  CYS   4           HB3      CYS   4 -10.924  -7.782   0.547

  No H/Q in entry =           4
  In of MODEL   21
    1    H    THR   5           H        THR   5  -9.932  -5.613   2.381
    2    HA   THR   5           HA       THR   5  -9.877  -3.064   1.226
    3    HB   THR   5           HB       THR   5  -7.227  -4.201   1.414
    4    HG1  THR   5           HG1      THR   5  -7.349  -5.330   3.170
    5   HG21  THR   5          HG21      THR   5  -8.363  -1.814   2.007
    6   HG23  THR   5          HG22      THR   5  -6.769  -2.336   2.552
    7   HG22  THR   5          HG23      THR   5  -8.167  -2.517   3.612

  No H/Q in entry =           7
  In of MODEL   21
    1    H    THR   6           H        THR   6  -9.603  -2.403  -0.810
    2    HA   THR   6           HA       THR   6  -8.219  -4.173  -2.701
    3    HB   THR   6           HB       THR   6  -9.936  -3.421  -4.432
    4    HG1  THR   6           HG1      THR   6 -11.405  -2.811  -2.085
    5   HG23  THR   6          HG21      THR   6 -11.707  -4.925  -2.824
    6   HG21  THR   6          HG22      THR   6 -10.075  -5.537  -2.555
    7   HG22  THR   6          HG23      THR   6 -10.731  -5.463  -4.191

  No H/Q in entry =           7
  In of MODEL   21
    1    H    GLY   7           H        GLY   7  -6.826  -3.177  -4.046
    2    HA3  GLY   7           HA2      GLY   7  -6.754  -0.891  -5.346
    3    HA2  GLY   7           HA3      GLY   7  -6.502  -0.286  -3.717

  No H/Q in entry =           3
  In of MODEL   21
    1    HA   PRO   8           HA       PRO   8  -2.317  -1.190  -5.388
    2    HB2  PRO   8           HB2      PRO   8  -1.099   0.999  -4.392
    3    HB3  PRO   8           HB3      PRO   8  -2.040   1.043  -5.888
    4    HG2  PRO   8           HG2      PRO   8  -2.822   1.897  -3.132
    5    HG3  PRO   8           HG3      PRO   8  -3.141   2.692  -4.683
    6    HD2  PRO   8           HD2      PRO   8  -4.980   1.161  -3.358
    7    HD3  PRO   8           HD3      PRO   8  -4.967   1.378  -5.119

  No H/Q in entry =           7
  In of MODEL   21
    1    H    CYS   9           H        CYS   9  -3.145  -0.013  -2.126
    2    HA   CYS   9           HA       CYS   9  -0.983  -1.699  -1.054
    3    HB2  CYS   9           HB2      CYS   9  -0.830   0.696  -0.476
    4    HB3  CYS   9           HB3      CYS   9  -2.410   0.609   0.281

  No H/Q in entry =           4
  In of MODEL   21
    1    H    CYS  10           H        CYS  10  -3.091  -3.164  -1.764
    2    HA   CYS  10           HA       CYS  10  -4.353  -3.817   0.813
    3    HB2  CYS  10           HB2      CYS  10  -5.643  -3.718  -1.911
    4    HB3  CYS  10           HB3      CYS  10  -6.349  -4.596  -0.558

  No H/Q in entry =           4
  In of MODEL   21
    1    H    ARG  11           H        ARG  11  -3.978  -5.824   1.461
    2    HA   ARG  11           HA       ARG  11  -2.739  -7.702  -0.388
    3    HB2  ARG  11           HB2      ARG  11  -1.894  -7.201   1.983
    4    HB3  ARG  11           HB3      ARG  11  -3.251  -8.167   2.544
    5    HG2  ARG  11           HG2      ARG  11  -2.343 -10.122   1.820
    6    HG3  ARG  11           HG3      ARG  11  -1.473  -9.355   0.490
    7    HD2  ARG  11           HD2      ARG  11  -0.233  -8.221   2.600
    8    HD3  ARG  11           HD3      ARG  11  -0.668  -9.782   3.295
    9    HE   ARG  11           HE       ARG  11   0.448 -10.446   0.920
   10   HH11  ARG  11          HH11      ARG  11   1.504  -8.460   3.588
   11   HH12  ARG  11          HH12      ARG  11   3.184  -8.790   3.331
   12   HH21  ARG  11          HH21      ARG  11   2.657 -10.880   0.580
   13   HH22  ARG  11          HH22      ARG  11   3.840 -10.163   1.623

  No H/Q in entry =          13
  In of MODEL   21
    1    H    GLN  12           H        GLN  12  -4.933  -7.765  -1.497
    2    HA   GLN  12           HA       GLN  12  -6.684  -9.069  -2.140
    3    HB2  GLN  12           HB2      GLN  12  -5.066 -10.863  -0.991
    4    HB3  GLN  12           HB3      GLN  12  -6.414 -10.959   0.133
    5    HG2  GLN  12           HG2      GLN  12  -6.521 -11.421  -2.838
    6    HG3  GLN  12           HG3      GLN  12  -6.628 -12.646  -1.575
    7   HE21  GLN  12          HE21      GLN  12  -8.380 -10.863  -3.687
    8   HE22  GLN  12          HE22      GLN  12  -9.918 -10.898  -2.901

  No H/Q in entry =           8
  In of MODEL   21
    1    H    CYS  13           H        CYS  13  -6.651  -9.375   1.398
    2    HA   CYS  13           HA       CYS  13  -9.101  -7.807   1.560
    3    HB2  CYS  13           HB2      CYS  13  -9.749 -10.222   1.287
    4    HB3  CYS  13           HB3      CYS  13  -8.923 -10.555   2.806

  No H/Q in entry =           4
  In of MODEL   21
    1    H    LYS  14           H        LYS  14  -6.268  -7.519   2.413
    2    HA   LYS  14           HA       LYS  14  -6.832  -6.746   5.153
    3    HB2  LYS  14           HB2      LYS  14  -5.719  -9.172   4.864
    4    HB3  LYS  14           HB3      LYS  14  -4.261  -8.190   4.813
    5    HG2  LYS  14           HG2      LYS  14  -4.746  -7.261   6.973
    6    HG3  LYS  14           HG3      LYS  14  -6.310  -8.076   7.015
    7    HD2  LYS  14           HD2      LYS  14  -3.663  -9.508   6.848
    8    HD3  LYS  14           HD3      LYS  14  -4.524  -9.197   8.357
    9    HE2  LYS  14           HE2      LYS  14  -5.426 -11.222   7.968
   10    HE3  LYS  14           HE3      LYS  14  -6.491 -10.324   6.889
   11    HZ2  LYS  14           HZ1      LYS  14  -5.090 -12.433   6.117
   12    HZ1  LYS  14           HZ2      LYS  14  -3.966 -11.222   5.756
   13    HZ3  LYS  14           HZ3      LYS  14  -5.509 -11.177   5.064

  No H/Q in entry =          13
  In of MODEL   21
    1    H    LEU  15           H        LEU  15  -6.120  -4.743   5.404
    2    HA   LEU  15           HA       LEU  15  -4.773  -3.234   3.559
    3    HB2  LEU  15           HB2      LEU  15  -5.806  -2.806   6.070
    4    HB3  LEU  15           HB3      LEU  15  -4.096  -2.506   6.315
    5    HG   LEU  15           HG       LEU  15  -5.353  -1.188   3.975
    6   HD13  LEU  15          HD11      LEU  15  -6.827   0.069   5.064
    7   HD12  LEU  15          HD12      LEU  15  -5.674   0.431   6.348
    8   HD11  LEU  15          HD13      LEU  15  -6.651  -1.035   6.427
    9   HD23  LEU  15          HD21      LEU  15  -3.738   0.329   5.886
   10   HD22  LEU  15          HD22      LEU  15  -3.578   0.168   4.137
   11   HD21  LEU  15          HD23      LEU  15  -2.917  -1.073   5.201

  No H/Q in entry =          11
  In of MODEL   21
    1    H    LYS  16           H        LYS  16  -2.809  -3.404   2.712
    2    HA   LYS  16           HA       LYS  16  -0.824  -5.131   3.468
    3    HB2  LYS  16           HB2      LYS  16  -1.127  -3.109   1.540
    4    HB3  LYS  16           HB3      LYS  16   0.372  -2.737   2.380
    5    HG2  LYS  16           HG2      LYS  16   1.400  -4.674   1.691
    6    HG3  LYS  16           HG3      LYS  16  -0.127  -5.522   1.444
    7    HD2  LYS  16           HD2      LYS  16  -0.526  -3.788  -0.427
    8    HD3  LYS  16           HD3      LYS  16   1.209  -3.489  -0.309
    9    HE2  LYS  16           HE2      LYS  16  -0.052  -6.184  -0.800
   10    HE3  LYS  16           HE3      LYS  16   0.620  -5.143  -2.054
   11    HZ1  LYS  16           HZ1      LYS  16   2.321  -5.854   0.224
   12    HZ3  LYS  16           HZ2      LYS  16   2.746  -5.553  -1.385
   13    HZ2  LYS  16           HZ3      LYS  16   2.039  -7.030  -0.959

  No H/Q in entry =          13
  In of MODEL   21
    1    HA   PRO  17           HA       PRO  17   0.995  -3.535   7.168
    2    HB2  PRO  17           HB2      PRO  17   3.555  -4.441   6.861
    3    HB3  PRO  17           HB3      PRO  17   2.205  -5.468   7.358
    4    HG2  PRO  17           HG2      PRO  17   3.441  -5.137   4.653
    5    HG3  PRO  17           HG3      PRO  17   2.906  -6.619   5.466
    6    HD2  PRO  17           HD2      PRO  17   1.425  -5.423   3.560
    7    HD3  PRO  17           HD3      PRO  17   0.683  -6.254   4.943

  No H/Q in entry =           7
  In of MODEL   21
    1    H    ALA  18           H        ALA  18   2.183  -1.816   7.903
    2    HA   ALA  18           HA       ALA  18   2.816   0.240   6.079
    3    HB2  ALA  18           HB1      ALA  18   3.515   1.510   7.968
    4    HB1  ALA  18           HB2      ALA  18   3.766   0.055   8.931
    5    HB3  ALA  18           HB3      ALA  18   2.132   0.539   8.475

  No H/Q in entry =           5
  In of MODEL   21
    1    H    GLY  19           H        GLY  19   4.986   1.344   6.007
    2    HA3  GLY  19           HA2      GLY  19   7.186   1.279   5.348
    3    HA2  GLY  19           HA3      GLY  19   7.395   0.086   6.622

  No H/Q in entry =           3
  In of MODEL   21
    1    H    THR  20           H        THR  20   5.204  -0.479   3.982
    2    HA   THR  20           HA       THR  20   7.147  -2.302   2.737
    3    HB   THR  20           HB       THR  20   4.241  -2.897   3.334
    4    HG1  THR  20           HG1      THR  20   6.644  -4.015   4.336
    5   HG22  THR  20          HG21      THR  20   5.928  -5.103   2.462
    6   HG21  THR  20          HG22      THR  20   5.630  -3.896   1.211
    7   HG23  THR  20          HG23      THR  20   4.273  -4.686   2.015

  No H/Q in entry =           7
  In of MODEL   21
    1    H    THR  21           H        THR  21   7.336  -2.022   0.607
    2    HA   THR  21           HA       THR  21   6.115   0.027  -0.790
    3    HB   THR  21           HB       THR  21   6.802  -2.151  -2.572
    4    HG1  THR  21           HG1      THR  21   8.108  -2.994  -1.044
    5   HG22  THR  21          HG21      THR  21   8.691  -0.551  -3.125
    6   HG21  THR  21          HG22      THR  21   7.934   0.555  -1.978
    7   HG23  THR  21          HG23      THR  21   7.044   0.015  -3.402

  No H/Q in entry =           7
  In of MODEL   21
    1    H    CYS  22           H        CYS  22   4.010   0.275  -1.100
    2    HA   CYS  22           HA       CYS  22   2.286  -2.028  -1.485
    3    HB2  CYS  22           HB2      CYS  22   0.455  -0.342  -1.441
    4    HB3  CYS  22           HB3      CYS  22   1.472  -0.307  -0.004

  No H/Q in entry =           4
  In of MODEL   21
    1    H    TRP  23           H        TRP  23   3.326   0.838  -3.280
    2    HA   TRP  23           HA       TRP  23   1.836  -0.018  -5.615
    3    HB2  TRP  23           HB2      TRP  23   2.380   2.452  -4.678
    4    HB3  TRP  23           HB3      TRP  23   3.701   2.268  -5.829
    5    HD1  TRP  23           HD1      TRP  23   1.081   0.356  -7.349
    6    HE1  TRP  23           HE1      TRP  23  -0.270   1.730  -9.052
    7    HE3  TRP  23           HE3      TRP  23   2.584   5.043  -5.983
    8    HZ2  TRP  23           HZ2      TRP  23  -0.650   4.436  -9.724
    9    HZ3  TRP  23           HZ3      TRP  23   1.683   6.973  -7.214
   10    HH2  TRP  23           HH2      TRP  23   0.101   6.674  -9.048

  No H/Q in entry =          10
  In of MODEL   21
    1    H    LYS  24           H        LYS  24   5.207   0.906  -5.008
    2    HA   LYS  24           HA       LYS  24   7.134   0.383  -6.112
    3    HB2  LYS  24           HB2      LYS  24   7.681  -1.942  -6.098
    4    HB3  LYS  24           HB3      LYS  24   6.686  -1.617  -4.688
    5    HG2  LYS  24           HG2      LYS  24   5.301  -2.547  -7.136
    6    HG3  LYS  24           HG3      LYS  24   6.297  -3.713  -6.268
    7    HD2  LYS  24           HD2      LYS  24   4.610  -2.140  -4.493
    8    HD3  LYS  24           HD3      LYS  24   3.681  -3.049  -5.686
    9    HE2  LYS  24           HE2      LYS  24   3.999  -4.360  -3.662
   10    HE3  LYS  24           HE3      LYS  24   4.842  -5.100  -5.023
   11    HZ2  LYS  24           HZ1      LYS  24   5.912  -3.939  -2.594
   12    HZ1  LYS  24           HZ2      LYS  24   6.760  -3.546  -4.004
   13    HZ3  LYS  24           HZ3      LYS  24   6.537  -5.167  -3.576

  No H/Q in entry =          13
  In of MODEL   21
    1    H    THR  25           H        THR  25   4.926   1.190  -7.823
    2    HA   THR  25           HA       THR  25   4.702  -0.377 -10.131
    3    HB   THR  25           HB       THR  25   4.629   2.640 -10.101
    4    HG1  THR  25           HG1      THR  25   2.516   0.891  -9.404
    5   HG22  THR  25          HG21      THR  25   2.891   0.724 -11.620
    6   HG21  THR  25          HG22      THR  25   4.356   1.450 -12.282
    7   HG23  THR  25          HG23      THR  25   3.003   2.475 -11.803

  No H/Q in entry =           7
  In of MODEL   21
    1    H    SER  26           H        SER  26   5.830  -0.467 -12.039
    2    HA   SER  26           HA       SER  26   8.576  -0.208 -12.025
    3    HB2  SER  26           HB2      SER  26   8.486  -0.480 -14.454
    4    HB3  SER  26           HB3      SER  26   7.316  -1.546 -13.677
    5    HG   SER  26           HG       SER  26   6.800   0.931 -14.960

  No H/Q in entry =           5
  In of MODEL   21
    1    H    VAL  27           H        VAL  27   6.167   2.210 -12.637
    2    HA   VAL  27           HA       VAL  27   8.163   4.098 -13.641
    3    HB   VAL  27           HB       VAL  27   6.005   3.979 -14.823
    4   HG12  VAL  27          HG11      VAL  27   3.974   4.854 -13.742
    5   HG11  VAL  27          HG12      VAL  27   4.845   4.952 -12.212
    6   HG13  VAL  27          HG13      VAL  27   4.561   3.383 -12.966
    7   HG23  VAL  27          HG21      VAL  27   6.171   6.632 -13.421
    8   HG22  VAL  27          HG22      VAL  27   5.713   6.295 -15.091
    9   HG21  VAL  27          HG23      VAL  27   7.391   6.107 -14.581

  No H/Q in entry =           9
  In of MODEL   21
    1    H    SER  28           H        SER  28   6.344   3.337 -10.791
    2    HA   SER  28           HA       SER  28   7.786   5.343  -9.298
    3    HB2  SER  28           HB2      SER  28   5.471   6.234 -10.338
    4    HB3  SER  28           HB3      SER  28   4.856   5.503  -8.855
    5    HG   SER  28           HG       SER  28   5.932   7.853  -9.083

  No H/Q in entry =           5
  In of MODEL   21
    1    H    SER  29           H        SER  29   8.318   4.517  -7.384
    2    HA   SER  29           HA       SER  29   6.700   2.289  -6.330
    3    HB2  SER  29           HB2      SER  29   9.659   2.856  -6.014
    4    HB3  SER  29           HB3      SER  29   8.798   1.569  -5.169
    5    HG   SER  29           HG       SER  29   9.888   1.420  -7.526

  No H/Q in entry =           5
  In of MODEL   21
    1    H    HIS  30           H        HIS  30   5.553   2.782  -4.592
    2    HA   HIS  30           HA       HIS  30   6.614   4.802  -2.725
    3    HB2  HIS  30           HB2      HIS  30   3.690   4.293  -3.297
    4    HB3  HIS  30           HB3      HIS  30   4.373   5.585  -2.314
    5    HD1  HIS  30           HD1      HIS  30   3.851   7.658  -3.577
    6    HD2  HIS  30           HD2      HIS  30   5.321   4.659  -6.047
    7    HE1  HIS  30           HE1      HIS  30   4.102   8.715  -5.846
    8    HE2  HIS  30           HE2      HIS  30   5.140   6.928  -7.273

  No H/Q in entry =           8
  In of MODEL   21
    1    H    TYR  31           H        TYR  31   6.200   4.498  -0.513
    2    HA   TYR  31           HA       TYR  31   5.719   1.702   0.218
    3    HB2  TYR  31           HB2      TYR  31   7.250   3.953   1.418
    4    HB3  TYR  31           HB3      TYR  31   6.533   2.790   2.529
    5    HD1  TYR  31           HD1      TYR  31   8.003   1.179   3.253
    6    HD2  TYR  31           HD2      TYR  31   8.360   2.614  -0.736
    7    HE1  TYR  31           HE1      TYR  31   9.894  -0.348   2.879
    8    HE2  TYR  31           HE2      TYR  31  10.251   1.090  -1.121
    9    HH   TYR  31           HH       TYR  31  11.106  -1.061  -0.172

  No H/Q in entry =           9
  In of MODEL   21
    1    H    CYS  32           H        CYS  32   4.388   1.222   2.103
    2    HA   CYS  32           HA       CYS  32   2.122   3.075   2.275
    3    HB2  CYS  32           HB2      CYS  32   2.116   0.420   1.725
    4    HB3  CYS  32           HB3      CYS  32   1.879   0.384   3.469

  No H/Q in entry =           4
  In of MODEL   21
    1    H    THR  33           H        THR  33   0.931   2.930   4.444
    2    HA   THR  33           HA       THR  33   2.882   2.988   6.650
    3    HB   THR  33           HB       THR  33   1.970   4.968   7.516
    4    HG1  THR  33           HG1      THR  33  -0.188   4.729   5.695
    5   HG22  THR  33          HG21      THR  33   1.757   5.360   4.541
    6   HG21  THR  33          HG22      THR  33   3.247   5.450   5.482
    7   HG23  THR  33          HG23      THR  33   1.956   6.621   5.758

  No H/Q in entry =           7
  In of MODEL   21
    1    H    GLY  34           H        GLY  34   0.790   1.010   5.611
    2    HA3  GLY  34           HA2      GLY  34  -0.789  -0.419   6.477
    3    HA2  GLY  34           HA3      GLY  34   0.060  -0.168   7.993

  No H/Q in entry =           3
  In of MODEL   21
    1    H    ARG  35           H        ARG  35  -1.793   2.191   6.107
    2    HA   ARG  35           HA       ARG  35  -3.689   2.366   8.357
    3    HB2  ARG  35           HB2      ARG  35  -2.010   4.294   8.041
    4    HB3  ARG  35           HB3      ARG  35  -2.963   4.713   6.623
    5    HG2  ARG  35           HG2      ARG  35  -4.395   4.327   9.193
    6    HG3  ARG  35           HG3      ARG  35  -3.425   5.787   8.989
    7    HD2  ARG  35           HD2      ARG  35  -5.421   4.912   6.924
    8    HD3  ARG  35           HD3      ARG  35  -5.895   5.886   8.316
    9    HE   ARG  35           HE       ARG  35  -4.541   6.789   5.984
   10   HH11  ARG  35          HH11      ARG  35  -4.783   7.305   9.427
   11   HH12  ARG  35          HH12      ARG  35  -4.278   8.959   9.341
   12   HH21  ARG  35          HH21      ARG  35  -3.876   8.965   5.869
   13   HH22  ARG  35          HH22      ARG  35  -3.763   9.902   7.321

  No H/Q in entry =          13
  In of MODEL   21
    1    H    SER  36           H        SER  36  -3.221   2.563   4.885
    2    HA   SER  36           HA       SER  36  -5.881   1.675   4.374
    3    HB2  SER  36           HB2      SER  36  -6.406   4.023   4.805
    4    HB3  SER  36           HB3      SER  36  -5.192   4.528   3.630
    5    HG   SER  36           HG       SER  36  -7.730   3.920   3.193

  No H/Q in entry =           5
  In of MODEL   21
    1    H    CYS  37           H        CYS  37  -6.320   1.747   1.912
    2    HA   CYS  37           HA       CYS  37  -4.136   0.481   0.630
    3    HB2  CYS  37           HB2      CYS  37  -6.838   0.512   0.235
    4    HB3  CYS  37           HB3      CYS  37  -6.274   1.486  -1.119

  No H/Q in entry =           4
  In of MODEL   21
    1    H    GLU  38           H        GLU  38  -5.403   3.728   0.623
    2    HA   GLU  38           HA       GLU  38  -4.262   4.770  -1.677
    3    HB2  GLU  38           HB2      GLU  38  -5.841   5.962  -0.161
    4    HB3  GLU  38           HB3      GLU  38  -4.520   6.197   0.974
    5    HG2  GLU  38           HG2      GLU  38  -3.963   7.101  -1.757
    6    HG3  GLU  38           HG3      GLU  38  -5.259   7.969  -0.935

  No H/Q in entry =           6
  In of MODEL   21
    1    H    CYS  39           H        CYS  39  -2.225   4.728  -2.336
    2    HA   CYS  39           HA       CYS  39  -0.054   4.524  -0.410
    3    HB2  CYS  39           HB2      CYS  39  -0.116   4.394  -3.431
    4    HB3  CYS  39           HB3      CYS  39   1.364   4.289  -2.485

  No H/Q in entry =           4
  In of MODEL   21
    1    HA   PRO  40           HA       PRO  40   1.048   8.799  -0.272
    2    HB2  PRO  40           HB2      PRO  40   3.849   7.843  -0.600
    3    HB3  PRO  40           HB3      PRO  40   3.155   8.889   0.644
    4    HG2  PRO  40           HG2      PRO  40   3.752   6.352   1.183
    5    HG3  PRO  40           HG3      PRO  40   2.293   7.107   1.851
    6    HD2  PRO  40           HD2      PRO  40   2.564   5.171  -0.406
    7    HD3  PRO  40           HD3      PRO  40   1.286   5.307   0.820

  No H/Q in entry =           7
  In of MODEL   21
    1    H    SER  41           H        SER  41   2.594  10.368  -1.468
    2    HA   SER  41           HA       SER  41   2.525   9.693  -4.336
    3    HB2  SER  41           HB2      SER  41   2.410  12.463  -3.123
    4    HB3  SER  41           HB3      SER  41   2.155  12.028  -4.813
    5    HG   SER  41           HG       SER  41   0.228  11.138  -4.308

  No H/Q in entry =           5
  In of MODEL   21
    1    H    TYR  42           H        TYR  42   4.703   9.110  -2.500
    2    HA   TYR  42           HA       TYR  42   6.839  10.259  -4.049
    3    HB2  TYR  42           HB2      TYR  42   8.055  11.249  -2.194
    4    HB3  TYR  42           HB3      TYR  42   6.466  11.996  -2.321
    5    HD1  TYR  42           HD1      TYR  42   4.924  11.899  -0.524
    6    HD2  TYR  42           HD2      TYR  42   8.470   9.552  -0.397
    7    HE1  TYR  42           HE1      TYR  42   4.487  11.378   1.839
    8    HE2  TYR  42           HE2      TYR  42   8.043   9.023   1.966
    9    HH   TYR  42           HH       TYR  42   5.190   9.360   3.440

  No H/Q in entry =           9
  In of MODEL   21
    1    HA   PRO  43           HA       PRO  43   8.564   6.301  -3.121
    2    HB2  PRO  43           HB2      PRO  43  11.177   6.753  -3.652
    3    HB3  PRO  43           HB3      PRO  43   9.952   6.659  -4.923
    4    HG2  PRO  43           HG2      PRO  43  11.177   9.076  -3.649
    5    HG3  PRO  43           HG3      PRO  43  10.842   8.765  -5.362
    6    HD2  PRO  43           HD2      PRO  43   9.227  10.289  -3.802
    7    HD3  PRO  43           HD3      PRO  43   8.616   9.318  -5.156

  No H/Q in entry =           7
  In of MODEL   21
    1    H    GLY  44           H        GLY  44   9.283   5.243  -1.354
    2    HA3  GLY  44           HA2      GLY  44   9.883   6.701   1.017
    3    HA2  GLY  44           HA3      GLY  44   9.934   4.954   0.834

  No H/Q in entry =           3
  In of MODEL   21
    1    H    ASN  45           H        ASN  45  11.763   7.110   2.040
    2    HA   ASN  45           HA       ASN  45  14.231   5.941   0.986
    3    HB2  ASN  45           HB2      ASN  45  13.733   8.905   1.323
    4    HB3  ASN  45           HB3      ASN  45  15.322   8.193   1.058
    5   HD21  ASN  45          HD21      ASN  45  15.988   8.157  -0.954
    6   HD22  ASN  45          HD22      ASN  45  14.988   8.175  -2.362

  No H/Q in entry =           6
  In of MODEL   21
    1    H    GLY  46           H        GLY  46  12.854   8.101   3.461
    2    HA3  GLY  46           HA2      GLY  46  13.192   8.192   5.730
    3    HA2  GLY  46           HA3      GLY  46  13.805   6.549   5.619

  No H/Q in entry =           3
  In of MODEL   22
    1    H1   ALA   1           H3       ALA   1 -20.226  -8.587  10.766
    2    H2   ALA   1           H2       ALA   1 -19.632  -7.044  11.226
    3    H3   ALA   1           H1       ALA   1 -21.308  -7.268  10.931
    4    HA   ALA   1           HA       ALA   1 -20.921  -7.681   8.660
    5    HB2  ALA   1           HB1      ALA   1 -19.725  -5.423   8.140
    6    HB1  ALA   1           HB2      ALA   1 -19.804  -5.200   9.888
    7    HB3  ALA   1           HB3      ALA   1 -21.286  -5.427   8.960

  No H/Q in entry =           7
  In of MODEL   22
    1    H    MET   2           H        MET   2 -19.206  -7.093   6.888
    2    HA   MET   2           HA       MET   2 -16.481  -7.720   7.535
    3    HB2  MET   2           HB2      MET   2 -17.831  -9.947   7.440
    4    HB3  MET   2           HB3      MET   2 -17.805  -9.691   5.701
    5    HG2  MET   2           HG2      MET   2 -15.918 -10.896   5.831
    6    HG3  MET   2           HG3      MET   2 -15.204  -9.339   6.246
    7    HE2  MET   2           HE1      MET   2 -13.026 -10.779   7.704
    8    HE1  MET   2           HE2      MET   2 -13.887 -11.925   6.676
    9    HE3  MET   2           HE3      MET   2 -13.573 -12.320   8.366

  No H/Q in entry =           9
  In of MODEL   22
    1    H    ASP   3           H        ASP   3 -15.507  -6.233   6.330
    2    HA   ASP   3           HA       ASP   3 -16.170  -6.103   3.473
    3    HB2  ASP   3           HB2      ASP   3 -17.126  -4.180   4.971
    4    HB3  ASP   3           HB3      ASP   3 -15.467  -3.592   4.954

  No H/Q in entry =           4
  In of MODEL   22
    1    H    CYS   4           H        CYS   4 -14.456  -5.790   2.104
    2    HA   CYS   4           HA       CYS   4 -11.809  -6.038   3.328
    3    HB2  CYS   4           HB2      CYS   4 -12.906  -6.665   0.602
    4    HB3  CYS   4           HB3      CYS   4 -11.172  -6.510   0.858

  No H/Q in entry =           4
  In of MODEL   22
    1    H    THR   5           H        THR   5  -9.994  -4.923   2.168
    2    HA   THR   5           HA       THR   5 -10.799  -2.167   1.514
    3    HB   THR   5           HB       THR   5  -7.976  -2.637   2.177
    4    HG1  THR   5           HG1      THR   5  -9.973  -3.029   4.150
    5   HG21  THR   5          HG21      THR   5  -9.696  -0.483   2.201
    6   HG23  THR   5          HG22      THR   5  -8.069  -0.537   2.879
    7   HG22  THR   5          HG23      THR   5  -9.464  -0.862   3.907

  No H/Q in entry =           7
  In of MODEL   22
    1    H    THR   6           H        THR   6 -10.772  -1.804  -0.603
    2    HA   THR   6           HA       THR   6  -8.905  -3.266  -2.307
    3    HB   THR   6           HB       THR   6 -10.226  -2.325  -4.175
    4    HG1  THR   6           HG1      THR   6 -11.884  -1.226  -2.159
    5   HG23  THR   6          HG21      THR   6 -11.787  -3.901  -4.032
    6   HG22  THR   6          HG22      THR   6 -12.442  -3.249  -2.530
    7   HG21  THR   6          HG23      THR   6 -11.036  -4.313  -2.491

  No H/Q in entry =           7
  In of MODEL   22
    1    H    GLY   7           H        GLY   7  -7.439  -2.267  -3.697
    2    HA3  GLY   7           HA2      GLY   7  -6.890   0.128  -4.543
    3    HA2  GLY   7           HA3      GLY   7  -6.631   0.421  -2.830

  No H/Q in entry =           3
  In of MODEL   22
    1    HA   PRO   8           HA       PRO   8  -2.705  -1.207  -4.863
    2    HB2  PRO   8           HB2      PRO   8  -1.162   0.992  -4.573
    3    HB3  PRO   8           HB3      PRO   8  -2.206   0.744  -5.978
    4    HG2  PRO   8           HG2      PRO   8  -2.676   2.413  -3.539
    5    HG3  PRO   8           HG3      PRO   8  -3.009   2.795  -5.239
    6    HD2  PRO   8           HD2      PRO   8  -4.927   1.953  -3.498
    7    HD3  PRO   8           HD3      PRO   8  -4.989   1.628  -5.242

  No H/Q in entry =           7
  In of MODEL   22
    1    H    CYS   9           H        CYS   9  -3.312   0.714  -1.973
    2    HA   CYS   9           HA       CYS   9  -0.976  -0.380  -0.626
    3    HB2  CYS   9           HB2      CYS   9  -2.245   2.036  -0.439
    4    HB3  CYS   9           HB3      CYS   9  -2.884   1.192   0.965

  No H/Q in entry =           4
  In of MODEL   22
    1    H    CYS  10           H        CYS  10  -2.664  -2.406  -1.310
    2    HA   CYS  10           HA       CYS  10  -3.247  -3.556   1.244
    3    HB2  CYS  10           HB2      CYS  10  -5.692  -4.085   0.113
    4    HB3  CYS  10           HB3      CYS  10  -5.393  -2.892   1.370

  No H/Q in entry =           4
  In of MODEL   22
    1    H    ARG  11           H        ARG  11  -3.015  -5.713   1.174
    2    HA   ARG  11           HA       ARG  11  -1.965  -6.971  -1.081
    3    HB2  ARG  11           HB2      ARG  11  -3.017  -7.908   1.547
    4    HB3  ARG  11           HB3      ARG  11  -2.742  -9.108   0.291
    5    HG2  ARG  11           HG2      ARG  11  -0.401  -8.087   0.095
    6    HG3  ARG  11           HG3      ARG  11  -0.756  -7.322   1.646
    7    HD2  ARG  11           HD2      ARG  11  -1.139 -10.268   1.263
    8    HD3  ARG  11           HD3      ARG  11   0.456  -9.607   1.619
    9    HE   ARG  11           HE       ARG  11  -1.591  -8.721   3.431
   10   HH11  ARG  11          HH11      ARG  11   0.722 -11.242   2.744
   11   HH12  ARG  11          HH12      ARG  11   0.828 -11.766   4.391
   12   HH21  ARG  11          HH21      ARG  11  -1.452  -9.408   5.598
   13   HH22  ARG  11          HH22      ARG  11  -0.406 -10.725   6.012

  No H/Q in entry =          13
  In of MODEL   22
    1    H    GLN  12           H        GLN  12  -4.918  -8.242   0.409
    2    HA   GLN  12           HA       GLN  12  -6.296  -8.098  -2.165
    3    HB2  GLN  12           HB2      GLN  12  -5.657 -10.627  -0.670
    4    HB3  GLN  12           HB3      GLN  12  -7.000 -10.535  -1.800
    5    HG2  GLN  12           HG2      GLN  12  -5.056  -9.547  -3.351
    6    HG3  GLN  12           HG3      GLN  12  -4.095 -10.588  -2.302
    7   HE21  GLN  12          HE21      GLN  12  -5.751 -10.472  -5.126
    8   HE22  GLN  12          HE22      GLN  12  -6.083 -12.154  -5.343

  No H/Q in entry =           8
  In of MODEL   22
    1    H    CYS  13           H        CYS  13  -6.451  -7.298   0.920
    2    HA   CYS  13           HA       CYS  13  -9.224  -6.926   0.977
    3    HB2  CYS  13           HB2      CYS  13  -9.315  -9.357   1.297
    4    HB3  CYS  13           HB3      CYS  13  -8.264  -9.217   2.703

  No H/Q in entry =           4
  In of MODEL   22
    1    H    LYS  14           H        LYS  14  -6.232  -7.258   2.802
    2    HA   LYS  14           HA       LYS  14  -7.193  -5.139   4.611
    3    HB2  LYS  14           HB2      LYS  14  -5.571  -7.586   5.105
    4    HB3  LYS  14           HB3      LYS  14  -5.178  -6.147   6.035
    5    HG2  LYS  14           HG2      LYS  14  -7.998  -7.125   5.877
    6    HG3  LYS  14           HG3      LYS  14  -6.849  -7.854   7.001
    7    HD2  LYS  14           HD2      LYS  14  -7.260  -4.883   6.886
    8    HD3  LYS  14           HD3      LYS  14  -8.311  -5.921   7.852
    9    HE2  LYS  14           HE2      LYS  14  -6.616  -6.510   9.304
   10    HE3  LYS  14           HE3      LYS  14  -5.348  -6.149   8.134
   11    HZ3  LYS  14           HZ1      LYS  14  -5.178  -4.385   9.563
   12    HZ2  LYS  14           HZ2      LYS  14  -6.838  -4.317   9.880
   13    HZ1  LYS  14           HZ3      LYS  14  -6.234  -3.738   8.410

  No H/Q in entry =          13
  In of MODEL   22
    1    H    LEU  15           H        LEU  15  -5.623  -3.581   5.315
    2    HA   LEU  15           HA       LEU  15  -4.102  -2.476   3.264
    3    HB2  LEU  15           HB2      LEU  15  -3.431  -2.031   6.157
    4    HB3  LEU  15           HB3      LEU  15  -3.315  -0.901   4.824
    5    HG   LEU  15           HG       LEU  15  -5.162  -0.049   5.823
    6   HD13  LEU  15          HD11      LEU  15  -6.954  -0.412   4.493
    7   HD12  LEU  15          HD12      LEU  15  -6.847  -2.167   4.633
    8   HD11  LEU  15          HD13      LEU  15  -5.755  -1.300   3.553
    9   HD21  LEU  15          HD21      LEU  15  -4.998  -2.262   7.409
   10   HD23  LEU  15          HD22      LEU  15  -6.578  -2.465   6.652
   11   HD22  LEU  15          HD23      LEU  15  -6.214  -0.993   7.553

  No H/Q in entry =          11
  In of MODEL   22
    1    H    LYS  16           H        LYS  16  -2.049  -2.724   2.567
    2    HA   LYS  16           HA       LYS  16  -0.623  -5.044   3.083
    3    HB2  LYS  16           HB2      LYS  16  -0.041  -2.469   1.740
    4    HB3  LYS  16           HB3      LYS  16   1.358  -3.419   2.221
    5    HG2  LYS  16           HG2      LYS  16   0.097  -5.366   1.040
    6    HG3  LYS  16           HG3      LYS  16  -0.774  -4.057   0.238
    7    HD2  LYS  16           HD2      LYS  16   1.512  -3.096  -0.332
    8    HD3  LYS  16           HD3      LYS  16   2.174  -4.651   0.176
    9    HE2  LYS  16           HE2      LYS  16  -0.072  -4.637  -1.774
   10    HE3  LYS  16           HE3      LYS  16   1.530  -4.171  -2.342
   11    HZ2  LYS  16           HZ1      LYS  16   0.710  -6.750  -1.139
   12    HZ1  LYS  16           HZ2      LYS  16   2.332  -6.306  -1.321
   13    HZ3  LYS  16           HZ3      LYS  16   1.344  -6.477  -2.684

  No H/Q in entry =          13
  In of MODEL   22
    1    HA   PRO  17           HA       PRO  17   1.337  -4.661   7.016
    2    HB2  PRO  17           HB2      PRO  17   3.795  -5.526   5.555
    3    HB3  PRO  17           HB3      PRO  17   3.090  -6.162   7.046
    4    HG2  PRO  17           HG2      PRO  17   2.803  -7.472   4.748
    5    HG3  PRO  17           HG3      PRO  17   1.473  -7.384   5.918
    6    HD2  PRO  17           HD2      PRO  17   1.823  -5.948   3.332
    7    HD3  PRO  17           HD3      PRO  17   0.337  -6.514   4.119

  No H/Q in entry =           7
  In of MODEL   22
    1    H    ALA  18           H        ALA  18   1.775  -2.698   7.796
    2    HA   ALA  18           HA       ALA  18   2.807  -0.514   6.538
    3    HB2  ALA  18           HB1      ALA  18   3.295   0.415   8.716
    4    HB1  ALA  18           HB2      ALA  18   3.267  -1.194   9.438
    5    HB3  ALA  18           HB3      ALA  18   1.786  -0.497   8.781

  No H/Q in entry =           5
  In of MODEL   22
    1    H    GLY  19           H        GLY  19   4.627  -0.349   5.406
    2    HA3  GLY  19           HA2      GLY  19   7.023   0.057   5.567
    3    HA2  GLY  19           HA3      GLY  19   7.121  -1.327   6.648

  No H/Q in entry =           3
  In of MODEL   22
    1    H    THR  20           H        THR  20   5.087  -1.527   3.861
    2    HA   THR  20           HA       THR  20   7.133  -3.086   2.437
    3    HB   THR  20           HB       THR  20   4.235  -3.854   2.839
    4    HG1  THR  20           HG1      THR  20   5.147  -5.616   3.945
    5   HG22  THR  20          HG21      THR  20   5.977  -5.885   1.732
    6   HG21  THR  20          HG22      THR  20   5.780  -4.500   0.657
    7   HG23  THR  20          HG23      THR  20   4.363  -5.377   1.234

  No H/Q in entry =           7
  In of MODEL   22
    1    H    THR  21           H        THR  21   7.249  -2.747   0.281
    2    HA   THR  21           HA       THR  21   6.153  -0.470  -0.874
    3    HB   THR  21           HB       THR  21   6.671  -2.271  -2.983
    4    HG1  THR  21           HG1      THR  21   8.599  -3.208  -2.356
    5   HG23  THR  21          HG21      THR  21   8.076  -0.677  -3.606
    6   HG22  THR  21          HG22      THR  21   8.990  -0.777  -2.101
    7   HG21  THR  21          HG23      THR  21   7.530   0.209  -2.182

  No H/Q in entry =           7
  In of MODEL   22
    1    H    CYS  22           H        CYS  22   4.283   0.011  -1.817
    2    HA   CYS  22           HA       CYS  22   2.423  -2.196  -2.409
    3    HB2  CYS  22           HB2      CYS  22   0.582  -0.775  -1.723
    4    HB3  CYS  22           HB3      CYS  22   1.752  -0.892  -0.414

  No H/Q in entry =           4
  In of MODEL   22
    1    H    TRP  23           H        TRP  23   4.358  -0.717  -4.151
    2    HA   TRP  23           HA       TRP  23   2.507  -0.229  -6.308
    3    HB2  TRP  23           HB2      TRP  23   3.389   1.972  -4.804
    4    HB3  TRP  23           HB3      TRP  23   4.346   2.004  -6.280
    5    HD1  TRP  23           HD1      TRP  23   0.841   0.652  -6.499
    6    HE1  TRP  23           HE1      TRP  23  -0.643   2.296  -7.811
    7    HE3  TRP  23           HE3      TRP  23   4.070   4.593  -6.797
    8    HZ2  TRP  23           HZ2      TRP  23  -0.471   4.920  -8.823
    9    HZ3  TRP  23           HZ3      TRP  23   3.332   6.639  -7.947
   10    HH2  TRP  23           HH2      TRP  23   1.108   6.795  -8.940

  No H/Q in entry =          10
  In of MODEL   22
    1    H    LYS  24           H        LYS  24   5.833   0.789  -5.733
    2    HA   LYS  24           HA       LYS  24   7.735   0.476  -6.971
    3    HB2  LYS  24           HB2      LYS  24   7.538  -1.646  -5.684
    4    HB3  LYS  24           HB3      LYS  24   6.704  -2.364  -7.056
    5    HG2  LYS  24           HG2      LYS  24   8.935  -1.473  -8.272
    6    HG3  LYS  24           HG3      LYS  24   9.564  -1.806  -6.657
    7    HD2  LYS  24           HD2      LYS  24   8.366  -4.068  -6.877
    8    HD3  LYS  24           HD3      LYS  24   8.269  -3.694  -8.599
    9    HE2  LYS  24           HE2      LYS  24  10.840  -3.204  -8.285
   10    HE3  LYS  24           HE3      LYS  24  10.647  -4.288  -6.908
   11    HZ3  LYS  24           HZ1      LYS  24  11.058  -5.840  -8.465
   12    HZ2  LYS  24           HZ2      LYS  24  10.548  -4.868  -9.752
   13    HZ1  LYS  24           HZ3      LYS  24   9.407  -5.678  -8.802

  No H/Q in entry =          13
  In of MODEL   22
    1    H    THR  25           H        THR  25   5.823   1.563  -8.540
    2    HA   THR  25           HA       THR  25   5.346   0.048 -10.919
    3    HB   THR  25           HB       THR  25   5.119   3.038 -10.742
    4    HG1  THR  25           HG1      THR  25   3.234   2.835  -9.645
    5   HG22  THR  25          HG21      THR  25   2.822   1.937 -11.835
    6   HG21  THR  25          HG22      THR  25   4.147   1.003 -12.530
    7   HG23  THR  25          HG23      THR  25   4.124   2.759 -12.696

  No H/Q in entry =           7
  In of MODEL   22
    1    H    SER  26           H        SER  26   7.834  -0.373 -10.888
    2    HA   SER  26           HA       SER  26   9.841  -0.174 -11.936
    3    HB2  SER  26           HB2      SER  26   7.893   1.014 -13.854
    4    HB3  SER  26           HB3      SER  26   9.613   1.183 -14.205
    5    HG   SER  26           HG       SER  26   8.866  -0.718 -15.125

  No H/Q in entry =           5
  In of MODEL   22
    1    H    VAL  27           H        VAL  27   8.855   2.097 -10.108
    2    HA   VAL  27           HA       VAL  27  11.118   3.574  -9.868
    3    HB   VAL  27           HB       VAL  27  10.921   4.466 -12.098
    4   HG12  VAL  27          HG11      VAL  27   8.210   5.551 -11.364
    5   HG11  VAL  27          HG12      VAL  27   8.456   4.066 -12.282
    6   HG13  VAL  27          HG13      VAL  27   9.006   5.607 -12.937
    7   HG22  VAL  27          HG21      VAL  27  10.832   6.868 -11.640
    8   HG21  VAL  27          HG22      VAL  27  11.732   6.007 -10.391
    9   HG23  VAL  27          HG23      VAL  27  10.081   6.543 -10.077

  No H/Q in entry =           9
  In of MODEL   22
    1    H    SER  28           H        SER  28   7.632   4.126 -10.114
    2    HA   SER  28           HA       SER  28   7.616   5.826  -7.782
    3    HB2  SER  28           HB2      SER  28   5.407   4.738  -9.538
    4    HB3  SER  28           HB3      SER  28   5.118   5.780  -8.146
    5    HG   SER  28           HG       SER  28   6.873   6.509 -10.239

  No H/Q in entry =           5
  In of MODEL   22
    1    H    SER  29           H        SER  29   8.430   4.404  -6.184
    2    HA   SER  29           HA       SER  29   6.575   2.254  -5.406
    3    HB2  SER  29           HB2      SER  29   8.372   1.043  -4.493
    4    HB3  SER  29           HB3      SER  29   9.043   1.715  -5.978
    5    HG   SER  29           HG       SER  29  10.372   2.886  -4.839

  No H/Q in entry =           5
  In of MODEL   22
    1    H    HIS  30           H        HIS  30   5.698   2.242  -3.404
    2    HA   HIS  30           HA       HIS  30   6.636   4.175  -1.425
    3    HB2  HIS  30           HB2      HIS  30   3.704   4.026  -2.097
    4    HB3  HIS  30           HB3      HIS  30   4.553   5.253  -1.159
    5    HD1  HIS  30           HD1      HIS  30   5.052   7.342  -2.403
    6    HD2  HIS  30           HD2      HIS  30   4.577   4.094  -4.948
    7    HE1  HIS  30           HE1      HIS  30   5.258   8.274  -4.733
    8    HE2  HIS  30           HE2      HIS  30   5.039   6.279  -6.249

  No H/Q in entry =           8
  In of MODEL   22
    1    H    TYR  31           H        TYR  31   6.744   3.262   0.508
    2    HA   TYR  31           HA       TYR  31   5.762   0.624   0.965
    3    HB2  TYR  31           HB2      TYR  31   7.203   2.667   2.623
    4    HB3  TYR  31           HB3      TYR  31   6.512   1.245   3.397
    5    HD1  TYR  31           HD1      TYR  31   8.093   1.433   0.041
    6    HD2  TYR  31           HD2      TYR  31   8.435   0.070   4.056
    7    HE1  TYR  31           HE1      TYR  31  10.087   0.135  -0.576
    8    HE2  TYR  31           HE2      TYR  31  10.430  -1.232   3.451
    9    HH   TYR  31           HH       TYR  31  12.036  -0.847   0.449

  No H/Q in entry =           9
  In of MODEL   22
    1    H    CYS  32           H        CYS  32   3.895  -0.025   1.858
    2    HA   CYS  32           HA       CYS  32   1.826   1.864   2.349
    3    HB2  CYS  32           HB2      CYS  32   1.716  -0.641   1.543
    4    HB3  CYS  32           HB3      CYS  32   1.637  -0.979   3.268

  No H/Q in entry =           4
  In of MODEL   22
    1    H    THR  33           H        THR  33   0.631   2.093   4.334
    2    HA   THR  33           HA       THR  33   2.372   1.874   6.694
    3    HB   THR  33           HB       THR  33   1.183   3.755   7.627
    4    HG1  THR  33           HG1      THR  33  -0.886   3.301   6.816
    5   HG23  THR  33          HG21      THR  33   1.935   5.466   6.308
    6   HG22  THR  33          HG22      THR  33   1.484   4.656   4.808
    7   HG21  THR  33          HG23      THR  33   2.904   4.120   5.707

  No H/Q in entry =           7
  In of MODEL   22
    1    H    GLY  34           H        GLY  34   0.239   0.011   5.376
    2    HA3  GLY  34           HA2      GLY  34  -1.452  -1.393   6.073
    3    HA2  GLY  34           HA3      GLY  34  -0.535  -1.427   7.570

  No H/Q in entry =           3
  In of MODEL   22
    1    H    ARG  35           H        ARG  35  -2.000   1.521   6.403
    2    HA   ARG  35           HA       ARG  35  -3.972   1.332   8.586
    3    HB2  ARG  35           HB2      ARG  35  -2.683   3.823   7.458
    4    HB3  ARG  35           HB3      ARG  35  -3.854   3.771   8.768
    5    HG2  ARG  35           HG2      ARG  35  -1.906   2.064   9.656
    6    HG3  ARG  35           HG3      ARG  35  -0.979   3.300   8.804
    7    HD2  ARG  35           HD2      ARG  35  -1.648   4.977  10.227
    8    HD3  ARG  35           HD3      ARG  35  -3.141   4.150  10.670
    9    HE   ARG  35           HE       ARG  35  -1.052   2.609  11.640
   10   HH11  ARG  35          HH11      ARG  35  -2.328   5.819  12.134
   11   HH12  ARG  35          HH12      ARG  35  -1.805   5.909  13.782
   12   HH21  ARG  35          HH21      ARG  35  -0.364   2.724  13.808
   13   HH22  ARG  35          HH22      ARG  35  -0.690   4.152  14.733

  No H/Q in entry =          13
  In of MODEL   22
    1    H    SER  36           H        SER  36  -3.415   2.205   5.242
    2    HA   SER  36           HA       SER  36  -6.256   2.012   4.718
    3    HB2  SER  36           HB2      SER  36  -6.609   4.168   3.875
    4    HB3  SER  36           HB3      SER  36  -5.641   4.464   5.319
    5    HG   SER  36           HG       SER  36  -3.788   4.389   3.809

  No H/Q in entry =           5
  In of MODEL   22
    1    H    CYS  37           H        CYS  37  -6.702   2.174   2.327
    2    HA   CYS  37           HA       CYS  37  -4.760   0.577   0.924
    3    HB2  CYS  37           HB2      CYS  37  -7.549   1.491   0.420
    4    HB3  CYS  37           HB3      CYS  37  -6.576   1.019  -0.969

  No H/Q in entry =           4
  In of MODEL   22
    1    H    GLU  38           H        GLU  38  -5.097   3.862   1.373
    2    HA   GLU  38           HA       GLU  38  -4.345   4.701  -1.283
    3    HB2  GLU  38           HB2      GLU  38  -5.746   6.066   0.324
    4    HB3  GLU  38           HB3      GLU  38  -4.275   6.346   1.246
    5    HG2  GLU  38           HG2      GLU  38  -3.271   7.516  -0.573
    6    HG3  GLU  38           HG3      GLU  38  -4.589   7.069  -1.656

  No H/Q in entry =           6
  In of MODEL   22
    1    H    CYS  39           H        CYS  39  -2.355   4.438  -2.030
    2    HA   CYS  39           HA       CYS  39  -0.112   4.093  -0.240
    3    HB2  CYS  39           HB2      CYS  39  -0.419   4.002  -3.238
    4    HB3  CYS  39           HB3      CYS  39   1.158   3.912  -2.462

  No H/Q in entry =           4
  In of MODEL   22
    1    HA   PRO  40           HA       PRO  40   1.373   8.240  -0.030
    2    HB2  PRO  40           HB2      PRO  40   4.051   7.101  -0.654
    3    HB3  PRO  40           HB3      PRO  40   3.549   8.122   0.698
    4    HG2  PRO  40           HG2      PRO  40   3.993   5.518   1.050
    5    HG3  PRO  40           HG3      PRO  40   2.665   6.341   1.889
    6    HD2  PRO  40           HD2      PRO  40   2.578   4.520  -0.476
    7    HD3  PRO  40           HD3      PRO  40   1.429   4.683   0.868

  No H/Q in entry =           7
  In of MODEL   22
    1    H    SER  41           H        SER  41   1.792   9.921  -1.401
    2    HA   SER  41           HA       SER  41   1.762   9.350  -4.220
    3    HB2  SER  41           HB2      SER  41   1.308  11.628  -4.538
    4    HB3  SER  41           HB3      SER  41   0.568  11.286  -2.974
    5    HG   SER  41           HG       SER  41   3.023  12.588  -3.506

  No H/Q in entry =           5
  In of MODEL   22
    1    H    TYR  42           H        TYR  42   4.123  10.338  -1.853
    2    HA   TYR  42           HA       TYR  42   6.110  10.801  -3.956
    3    HB2  TYR  42           HB2      TYR  42   7.458  11.873  -2.301
    4    HB3  TYR  42           HB3      TYR  42   5.816  12.467  -2.082
    5    HD1  TYR  42           HD1      TYR  42   8.579  10.692  -0.577
    6    HD2  TYR  42           HD2      TYR  42   4.442  11.600  -0.179
    7    HE1  TYR  42           HE1      TYR  42   8.666  10.021   1.785
    8    HE2  TYR  42           HE2      TYR  42   4.517  10.932   2.186
    9    HH   TYR  42           HH       TYR  42   5.839   9.588   3.680

  No H/Q in entry =           9
  In of MODEL   22
    1    HA   PRO  43           HA       PRO  43   7.849   6.784  -3.272
    2    HB2  PRO  43           HB2      PRO  43  10.305   7.161  -4.338
    3    HB3  PRO  43           HB3      PRO  43   8.846   7.047  -5.331
    4    HG2  PRO  43           HG2      PRO  43  10.323   9.488  -4.413
    5    HG3  PRO  43           HG3      PRO  43   9.667   9.118  -6.019
    6    HD2  PRO  43           HD2      PRO  43   8.385  10.727  -4.260
    7    HD3  PRO  43           HD3      PRO  43   7.517   9.690  -5.411

  No H/Q in entry =           7
  In of MODEL   22
    1    H    GLY  44           H        GLY  44   9.448   5.680  -2.031
    2    HA3  GLY  44           HA2      GLY  44  10.054   6.850   0.438
    3    HA2  GLY  44           HA3      GLY  44  10.763   5.365  -0.178

  No H/Q in entry =           3
  In of MODEL   22
    1    H    ASN  45           H        ASN  45  12.401   5.891  -2.073
    2    HA   ASN  45           HA       ASN  45  14.588   7.187  -0.889
    3    HB2  ASN  45           HB2      ASN  45  15.597   7.026  -3.214
    4    HB3  ASN  45           HB3      ASN  45  15.039   5.510  -2.512
    5   HD21  ASN  45          HD21      ASN  45  15.074   4.809  -4.758
    6   HD22  ASN  45          HD22      ASN  45  13.695   5.118  -5.751

  No H/Q in entry =           6
  In of MODEL   22
    1    H    GLY  46           H        GLY  46  13.958   9.278  -0.282
    2    HA3  GLY  46           HA2      GLY  46  14.707  11.404  -1.755
    3    HA2  GLY  46           HA3      GLY  46  13.056  11.150  -2.301

  No H/Q in entry =           3
  In of MODEL   23
    1    H1   ALA   1           H1       ALA   1 -16.774  -3.447  10.918
    2    H2   ALA   1           H3       ALA   1 -15.550  -2.247  10.886
    3    H3   ALA   1           H2       ALA   1 -17.203  -1.789  10.806
    4    HA   ALA   1           HA       ALA   1 -17.456  -2.474   8.692
    5    HB3  ALA   1           HB1      ALA   1 -15.581  -1.545   7.427
    6    HB1  ALA   1           HB2      ALA   1 -14.581  -1.581   8.879
    7    HB2  ALA   1           HB3      ALA   1 -15.993  -0.527   8.807

  No H/Q in entry =           7
  In of MODEL   23
    1    H    MET   2           H        MET   2 -17.709  -4.434   7.858
    2    HA   MET   2           HA       MET   2 -15.459  -6.322   7.956
    3    HB2  MET   2           HB2      MET   2 -17.968  -6.744   8.816
    4    HB3  MET   2           HB3      MET   2 -18.160  -7.242   7.141
    5    HG2  MET   2           HG2      MET   2 -17.547  -9.235   7.983
    6    HG3  MET   2           HG3      MET   2 -15.930  -8.585   7.720
    7    HE3  MET   2           HE1      MET   2 -18.492  -7.557  10.707
    8    HE2  MET   2           HE2      MET   2 -18.118  -8.932  11.746
    9    HE1  MET   2           HE3      MET   2 -18.803  -9.198  10.143

  No H/Q in entry =           9
  In of MODEL   23
    1    H    ASP   3           H        ASP   3 -15.660  -4.169   6.018
    2    HA   ASP   3           HA       ASP   3 -16.183  -5.638   3.530
    3    HB2  ASP   3           HB2      ASP   3 -17.073  -3.202   4.173
    4    HB3  ASP   3           HB3      ASP   3 -15.515  -2.737   3.496

  No H/Q in entry =           4
  In of MODEL   23
    1    H    CYS   4           H        CYS   4 -14.593  -6.126   2.123
    2    HA   CYS   4           HA       CYS   4 -11.899  -6.060   2.987
    3    HB2  CYS   4           HB2      CYS   4 -13.278  -6.855   0.447
    4    HB3  CYS   4           HB3      CYS   4 -11.522  -6.739   0.486

  No H/Q in entry =           4
  In of MODEL   23
    1    H    THR   5           H        THR   5 -10.490  -4.454   2.891
    2    HA   THR   5           HA       THR   5 -11.018  -1.937   1.821
    3    HB   THR   5           HB       THR   5  -8.286  -3.137   2.303
    4    HG1  THR   5           HG1      THR   5  -9.933  -1.741   4.136
    5   HG21  THR   5          HG21      THR   5  -9.240  -0.286   2.365
    6   HG23  THR   5          HG22      THR   5  -8.112  -1.003   1.214
    7   HG22  THR   5          HG23      THR   5  -7.656  -0.839   2.910

  No H/Q in entry =           7
  In of MODEL   23
    1    H    THR   6           H        THR   6  -9.762  -0.812   0.109
    2    HA   THR   6           HA       THR   6  -8.919  -2.544  -2.093
    3    HB   THR   6           HB       THR   6 -10.242  -0.881  -3.614
    4    HG1  THR   6           HG1      THR   6 -11.748  -0.733  -1.217
    5   HG22  THR   6          HG21      THR   6 -12.356  -2.432  -2.496
    6   HG21  THR   6          HG22      THR   6 -10.884  -3.401  -2.562
    7   HG23  THR   6          HG23      THR   6 -11.506  -2.641  -4.027

  No H/Q in entry =           7
  In of MODEL   23
    1    H    GLY   7           H        GLY   7  -7.231  -1.757  -3.236
    2    HA3  GLY   7           HA2      GLY   7  -6.532   0.764  -3.916
    3    HA2  GLY   7           HA3      GLY   7  -5.967   0.652  -2.256

  No H/Q in entry =           3
  In of MODEL   23
    1    HA   PRO   8           HA       PRO   8  -2.792  -1.034  -5.374
    2    HB2  PRO   8           HB2      PRO   8  -0.811   0.741  -4.724
    3    HB3  PRO   8           HB3      PRO   8  -1.951   0.981  -6.053
    4    HG2  PRO   8           HG2      PRO   8  -2.004   2.108  -3.284
    5    HG3  PRO   8           HG3      PRO   8  -2.364   2.907  -4.825
    6    HD2  PRO   8           HD2      PRO   8  -4.313   2.059  -3.172
    7    HD3  PRO   8           HD3      PRO   8  -4.492   2.005  -4.938

  No H/Q in entry =           7
  In of MODEL   23
    1    H    CYS   9           H        CYS   9  -3.034  -0.332  -2.015
    2    HA   CYS   9           HA       CYS   9  -0.815  -2.191  -1.463
    3    HB2  CYS   9           HB2      CYS   9  -0.435   0.122  -0.627
    4    HB3  CYS   9           HB3      CYS   9  -1.877  -0.033   0.368

  No H/Q in entry =           4
  In of MODEL   23
    1    H    CYS  10           H        CYS  10  -3.204  -3.302  -2.079
    2    HA   CYS  10           HA       CYS  10  -4.273  -4.150   0.535
    3    HB2  CYS  10           HB2      CYS  10  -5.603  -3.379  -1.961
    4    HB3  CYS  10           HB3      CYS  10  -6.166  -4.917  -1.320

  No H/Q in entry =           4
  In of MODEL   23
    1    H    ARG  11           H        ARG  11  -4.466  -6.323   0.946
    2    HA   ARG  11           HA       ARG  11  -2.916  -8.064  -0.796
    3    HB2  ARG  11           HB2      ARG  11  -2.860  -7.868   1.847
    4    HB3  ARG  11           HB3      ARG  11  -4.166  -9.038   1.731
    5    HG2  ARG  11           HG2      ARG  11  -2.802 -10.701   1.039
    6    HG3  ARG  11           HG3      ARG  11  -1.741  -9.610   0.146
    7    HD2  ARG  11           HD2      ARG  11  -0.545  -9.017   2.055
    8    HD3  ARG  11           HD3      ARG  11  -1.822  -9.564   3.140
    9    HE   ARG  11           HE       ARG  11  -1.047 -11.842   1.911
   10   HH11  ARG  11          HH11      ARG  11   0.701  -9.330   3.589
   11   HH12  ARG  11          HH12      ARG  11   1.950 -10.395   4.140
   12   HH21  ARG  11          HH21      ARG  11   0.595 -13.244   2.636
   13   HH22  ARG  11          HH22      ARG  11   1.891 -12.617   3.599

  No H/Q in entry =          13
  In of MODEL   23
    1    H    GLN  12           H        GLN  12  -5.278  -7.333  -1.990
    2    HA   GLN  12           HA       GLN  12  -6.956  -8.273  -3.204
    3    HB2  GLN  12           HB2      GLN  12  -6.381 -10.902  -1.852
    4    HB3  GLN  12           HB3      GLN  12  -7.135 -10.631  -3.417
    5    HG2  GLN  12           HG2      GLN  12  -4.315  -9.780  -2.889
    6    HG3  GLN  12           HG3      GLN  12  -4.704 -11.437  -3.348
    7   HE21  GLN  12          HE21      GLN  12  -6.388 -11.417  -5.264
    8   HE22  GLN  12          HE22      GLN  12  -5.908 -10.442  -6.607

  No H/Q in entry =           8
  In of MODEL   23
    1    H    CYS  13           H        CYS  13  -6.989  -7.777  -0.009
    2    HA   CYS  13           HA       CYS  13  -9.685  -7.486   0.310
    3    HB2  CYS  13           HB2      CYS  13  -9.015 -10.263   0.327
    4    HB3  CYS  13           HB3      CYS  13  -9.534  -9.811   1.946

  No H/Q in entry =           4
  In of MODEL   23
    1    H    LYS  14           H        LYS  14  -6.632  -8.327   1.795
    2    HA   LYS  14           HA       LYS  14  -7.495  -6.946   4.249
    3    HB2  LYS  14           HB2      LYS  14  -6.570  -9.451   4.153
    4    HB3  LYS  14           HB3      LYS  14  -5.030  -8.608   4.239
    5    HG2  LYS  14           HG2      LYS  14  -6.326  -7.359   6.222
    6    HG3  LYS  14           HG3      LYS  14  -7.138  -8.924   6.276
    7    HD2  LYS  14           HD2      LYS  14  -4.982 -10.048   6.478
    8    HD3  LYS  14           HD3      LYS  14  -4.153  -8.493   6.384
    9    HE2  LYS  14           HE2      LYS  14  -5.667  -7.882   8.417
   10    HE3  LYS  14           HE3      LYS  14  -5.813  -9.630   8.594
   11    HZ1  LYS  14           HZ1      LYS  14  -3.258  -9.579   8.457
   12    HZ3  LYS  14           HZ2      LYS  14  -4.002  -9.121   9.905
   13    HZ2  LYS  14           HZ3      LYS  14  -3.413  -7.939   8.847

  No H/Q in entry =          13
  In of MODEL   23
    1    H    LEU  15           H        LEU  15  -6.412  -5.192   4.935
    2    HA   LEU  15           HA       LEU  15  -4.867  -3.667   3.208
    3    HB2  LEU  15           HB2      LEU  15  -6.044  -3.235   5.599
    4    HB3  LEU  15           HB3      LEU  15  -4.366  -3.305   6.099
    5    HG   LEU  15           HG       LEU  15  -4.914  -1.570   3.778
    6   HD11  LEU  15          HD11      LEU  15  -6.558  -1.373   6.100
    7   HD13  LEU  15          HD12      LEU  15  -6.526  -0.341   4.671
    8   HD12  LEU  15          HD13      LEU  15  -5.477   0.019   6.042
    9   HD21  LEU  15          HD21      LEU  15  -2.710  -1.853   4.939
   10   HD23  LEU  15          HD22      LEU  15  -3.419  -1.047   6.339
   11   HD22  LEU  15          HD23      LEU  15  -3.272  -0.186   4.806

  No H/Q in entry =          11
  In of MODEL   23
    1    H    LYS  16           H        LYS  16  -2.939  -4.163   2.393
    2    HA   LYS  16           HA       LYS  16  -1.194  -6.099   3.220
    3    HB2  LYS  16           HB2      LYS  16  -1.209  -4.144   1.243
    4    HB3  LYS  16           HB3      LYS  16   0.251  -3.801   2.161
    5    HG2  LYS  16           HG2      LYS  16   1.274  -5.719   1.519
    6    HG3  LYS  16           HG3      LYS  16  -0.239  -6.622   1.413
    7    HD2  LYS  16           HD2      LYS  16  -0.635  -4.881  -0.582
    8    HD3  LYS  16           HD3      LYS  16   1.128  -4.948  -0.612
    9    HE2  LYS  16           HE2      LYS  16   0.690  -7.544  -0.496
   10    HE3  LYS  16           HE3      LYS  16  -0.871  -7.083  -1.175
   11    HZ2  LYS  16           HZ1      LYS  16   1.778  -6.999  -2.381
   12    HZ1  LYS  16           HZ2      LYS  16   0.741  -5.719  -2.765
   13    HZ3  LYS  16           HZ3      LYS  16   0.274  -7.312  -3.090

  No H/Q in entry =          13
  In of MODEL   23
    1    HA   PRO  17           HA       PRO  17   0.693  -4.756   6.981
    2    HB2  PRO  17           HB2      PRO  17   3.200  -5.829   6.660
    3    HB3  PRO  17           HB3      PRO  17   1.781  -6.754   7.162
    4    HG2  PRO  17           HG2      PRO  17   3.028  -6.510   4.454
    5    HG3  PRO  17           HG3      PRO  17   2.368  -7.946   5.260
    6    HD2  PRO  17           HD2      PRO  17   0.993  -6.630   3.361
    7    HD3  PRO  17           HD3      PRO  17   0.182  -7.381   4.751

  No H/Q in entry =           7
  In of MODEL   23
    1    H    ALA  18           H        ALA  18   1.895  -3.084   7.759
    2    HA   ALA  18           HA       ALA  18   2.724  -1.037   6.044
    3    HB3  ALA  18           HB1      ALA  18   2.094  -0.577   8.329
    4    HB2  ALA  18           HB2      ALA  18   3.748  -0.029   8.058
    5    HB1  ALA  18           HB3      ALA  18   3.449  -1.533   8.930

  No H/Q in entry =           5
  In of MODEL   23
    1    H    GLY  19           H        GLY  19   5.023  -0.067   6.205
    2    HA3  GLY  19           HA2      GLY  19   7.231  -0.242   5.599
    3    HA2  GLY  19           HA3      GLY  19   7.277  -1.670   6.622

  No H/Q in entry =           3
  In of MODEL   23
    1    H    THR  20           H        THR  20   5.006  -1.732   4.054
    2    HA   THR  20           HA       THR  20   6.813  -3.448   2.487
    3    HB   THR  20           HB       THR  20   3.817  -3.689   2.835
    4    HG1  THR  20           HG1      THR  20   4.516  -4.683   4.560
    5   HG21  THR  20          HG21      THR  20   4.880  -4.424   0.591
    6   HG23  THR  20          HG22      THR  20   3.774  -5.509   1.434
    7   HG22  THR  20          HG23      THR  20   5.516  -5.767   1.541

  No H/Q in entry =           7
  In of MODEL   23
    1    H    THR  21           H        THR  21   7.140  -2.888   0.424
    2    HA   THR  21           HA       THR  21   6.344  -0.449  -0.620
    3    HB   THR  21           HB       THR  21   6.790  -2.199  -2.812
    4    HG1  THR  21           HG1      THR  21   7.758  -3.776  -1.795
    5   HG22  THR  21          HG21      THR  21   9.199  -1.117  -2.426
    6   HG21  THR  21          HG22      THR  21   8.225  -0.030  -1.435
    7   HG23  THR  21          HG23      THR  21   7.845  -0.244  -3.145

  No H/Q in entry =           7
  In of MODEL   23
    1    H    CYS  22           H        CYS  22   4.567   0.296  -1.563
    2    HA   CYS  22           HA       CYS  22   2.465  -1.643  -2.248
    3    HB2  CYS  22           HB2      CYS  22   0.965   0.450  -2.083
    4    HB3  CYS  22           HB3      CYS  22   1.568  -0.262  -0.591

  No H/Q in entry =           4
  In of MODEL   23
    1    H    TRP  23           H        TRP  23   4.715  -0.747  -3.971
    2    HA   TRP  23           HA       TRP  23   3.190  -0.354  -6.340
    3    HB2  TRP  23           HB2      TRP  23   4.045   2.003  -5.003
    4    HB3  TRP  23           HB3      TRP  23   5.034   1.834  -6.451
    5    HD1  TRP  23           HD1      TRP  23   1.547   0.484  -6.695
    6    HE1  TRP  23           HE1      TRP  23   0.118   2.015  -8.188
    7    HE3  TRP  23           HE3      TRP  23   4.758   4.426  -7.135
    8    HZ2  TRP  23           HZ2      TRP  23   0.316   4.547  -9.382
    9    HZ3  TRP  23           HZ3      TRP  23   4.057   6.374  -8.465
   10    HH2  TRP  23           HH2      TRP  23   1.882   6.430  -9.569

  No H/Q in entry =          10
  In of MODEL   23
    1    H    LYS  24           H        LYS  24   6.454   0.696  -5.507
    2    HA   LYS  24           HA       LYS  24   8.479   0.166  -6.433
    3    HB2  LYS  24           HB2      LYS  24   8.062  -1.801  -4.992
    4    HB3  LYS  24           HB3      LYS  24   7.306  -2.618  -6.353
    5    HG2  LYS  24           HG2      LYS  24   9.293  -3.013  -7.403
    6    HG3  LYS  24           HG3      LYS  24  10.074  -1.597  -6.695
    7    HD2  LYS  24           HD2      LYS  24  11.110  -3.313  -5.555
    8    HD3  LYS  24           HD3      LYS  24   9.787  -2.911  -4.458
    9    HE2  LYS  24           HE2      LYS  24   8.568  -4.739  -6.011
   10    HE3  LYS  24           HE3      LYS  24  10.229  -5.323  -6.103
   11    HZ2  LYS  24           HZ1      LYS  24   8.617  -6.069  -4.188
   12    HZ1  LYS  24           HZ2      LYS  24   9.161  -4.640  -3.466
   13    HZ3  LYS  24           HZ3      LYS  24  10.270  -5.840  -3.903

  No H/Q in entry =          13
  In of MODEL   23
    1    H    THR  25           H        THR  25   6.258   0.802  -8.250
    2    HA   THR  25           HA       THR  25   6.379  -0.846 -10.552
    3    HB   THR  25           HB       THR  25   5.701   1.973 -11.014
    4    HG1  THR  25           HG1      THR  25   4.729   2.224  -9.178
    5   HG22  THR  25          HG21      THR  25   3.471   0.869 -11.587
    6   HG21  THR  25          HG22      THR  25   4.334  -0.659 -11.401
    7   HG23  THR  25          HG23      THR  25   4.863   0.511 -12.610

  No H/Q in entry =           7
  In of MODEL   23
    1    H    SER  26           H        SER  26   7.066   0.090 -12.723
    2    HA   SER  26           HA       SER  26   9.860   0.611 -12.630
    3    HB2  SER  26           HB2      SER  26   7.815   0.239 -14.753
    4    HB3  SER  26           HB3      SER  26   9.280   1.110 -15.206
    5    HG   SER  26           HG       SER  26  10.493  -0.666 -14.521

  No H/Q in entry =           5
  In of MODEL   23
    1    H    VAL  27           H        VAL  27   7.058   2.614 -12.693
    2    HA   VAL  27           HA       VAL  27   8.558   4.961 -13.562
    3    HB   VAL  27           HB       VAL  27   6.278   4.626 -14.445
    4   HG13  VAL  27          HG11      VAL  27   4.337   4.908 -13.002
    5   HG12  VAL  27          HG12      VAL  27   5.387   5.060 -11.593
    6   HG11  VAL  27          HG13      VAL  27   5.307   3.533 -12.473
    7   HG21  VAL  27          HG21      VAL  27   7.373   6.915 -13.973
    8   HG23  VAL  27          HG22      VAL  27   6.193   7.038 -12.667
    9   HG22  VAL  27          HG23      VAL  27   5.648   6.864 -14.336

  No H/Q in entry =           9
  In of MODEL   23
    1    H    SER  28           H        SER  28   7.126   3.565 -10.687
    2    HA   SER  28           HA       SER  28   8.548   5.501  -9.055
    3    HB2  SER  28           HB2      SER  28   5.604   5.457  -9.373
    4    HB3  SER  28           HB3      SER  28   6.206   5.607  -7.724
    5    HG   SER  28           HG       SER  28   7.149   7.499  -8.218

  No H/Q in entry =           5
  In of MODEL   23
    1    H    SER  29           H        SER  29   7.961   5.012  -6.631
    2    HA   SER  29           HA       SER  29   7.262   2.327  -5.975
    3    HB2  SER  29           HB2      SER  29  10.175   3.070  -5.602
    4    HB3  SER  29           HB3      SER  29   9.413   1.528  -5.211
    5    HG   SER  29           HG       SER  29  10.597   1.632  -7.257

  No H/Q in entry =           5
  In of MODEL   23
    1    H    HIS  30           H        HIS  30   6.303   2.500  -4.058
    2    HA   HIS  30           HA       HIS  30   7.396   4.404  -2.098
    3    HB2  HIS  30           HB2      HIS  30   4.435   3.958  -2.401
    4    HB3  HIS  30           HB3      HIS  30   5.267   5.261  -1.560
    5    HD1  HIS  30           HD1      HIS  30   4.652   7.327  -2.782
    6    HD2  HIS  30           HD2      HIS  30   5.596   4.218  -5.368
    7    HE1  HIS  30           HE1      HIS  30   4.560   8.320  -5.093
    8    HE2  HIS  30           HE2      HIS  30   4.964   6.382  -6.636

  No H/Q in entry =           8
  In of MODEL   23
    1    H    TYR  31           H        TYR  31   5.988   4.015   0.056
    2    HA   TYR  31           HA       TYR  31   5.982   1.112   0.556
    3    HB2  TYR  31           HB2      TYR  31   7.269   3.335   2.077
    4    HB3  TYR  31           HB3      TYR  31   6.604   1.983   2.989
    5    HD1  TYR  31           HD1      TYR  31   8.586   2.345  -0.168
    6    HD2  TYR  31           HD2      TYR  31   8.203   0.460   3.626
    7    HE1  TYR  31           HE1      TYR  31  10.629   1.051  -0.612
    8    HE2  TYR  31           HE2      TYR  31  10.246  -0.839   3.194
    9    HH   TYR  31           HH       TYR  31  11.542  -1.320   0.306

  No H/Q in entry =           9
  In of MODEL   23
    1    H    CYS  32           H        CYS  32   4.704   0.557   2.581
    2    HA   CYS  32           HA       CYS  32   2.251   2.175   2.585
    3    HB2  CYS  32           HB2      CYS  32   2.536  -0.496   2.094
    4    HB3  CYS  32           HB3      CYS  32   2.145  -0.498   3.810

  No H/Q in entry =           4
  In of MODEL   23
    1    H    THR  33           H        THR  33   0.992   2.007   4.685
    2    HA   THR  33           HA       THR  33   2.830   2.239   6.975
    3    HB   THR  33           HB       THR  33   1.712   4.134   7.769
    4    HG1  THR  33           HG1      THR  33  -0.377   3.978   7.685
    5   HG22  THR  33          HG21      THR  33   1.498   4.472   4.788
    6   HG21  THR  33          HG22      THR  33   2.971   4.693   5.732
    7   HG23  THR  33          HG23      THR  33   1.587   5.753   5.997

  No H/Q in entry =           7
  In of MODEL   23
    1    H    GLY  34           H        GLY  34   0.874   0.115   5.823
    2    HA3  GLY  34           HA2      GLY  34  -0.644  -1.414   6.631
    3    HA2  GLY  34           HA3      GLY  34   0.236  -1.215   8.137

  No H/Q in entry =           3
  In of MODEL   23
    1    H    ARG  35           H        ARG  35  -1.478   1.465   6.724
    2    HA   ARG  35           HA       ARG  35  -3.547   1.186   8.805
    3    HB2  ARG  35           HB2      ARG  35  -1.837   3.015   9.178
    4    HB3  ARG  35           HB3      ARG  35  -2.488   3.806   7.749
    5    HG2  ARG  35           HG2      ARG  35  -4.760   3.420   9.125
    6    HG3  ARG  35           HG3      ARG  35  -3.614   3.559  10.460
    7    HD2  ARG  35           HD2      ARG  35  -3.150   5.573   8.430
    8    HD3  ARG  35           HD3      ARG  35  -4.798   5.642   9.051
    9    HE   ARG  35           HE       ARG  35  -3.981   6.371  11.066
   10   HH11  ARG  35          HH11      ARG  35  -1.341   5.145   9.139
   11   HH12  ARG  35          HH12      ARG  35  -0.119   5.725  10.220
   12   HH21  ARG  35          HH21      ARG  35  -2.374   7.134  12.488
   13   HH22  ARG  35          HH22      ARG  35  -0.704   6.853  12.121

  No H/Q in entry =          13
  In of MODEL   23
    1    H    SER  36           H        SER  36  -2.842   1.818   5.478
    2    HA   SER  36           HA       SER  36  -5.616   1.563   4.782
    3    HB2  SER  36           HB2      SER  36  -4.251   4.211   4.703
    4    HB3  SER  36           HB3      SER  36  -5.316   3.800   3.360
    5    HG   SER  36           HG       SER  36  -6.646   4.708   4.815

  No H/Q in entry =           5
  In of MODEL   23
    1    H    CYS  37           H        CYS  37  -5.939   1.196   2.532
    2    HA   CYS  37           HA       CYS  37  -3.606   0.089   1.243
    3    HB2  CYS  37           HB2      CYS  37  -6.547   0.075   0.644
    4    HB3  CYS  37           HB3      CYS  37  -5.385  -0.447  -0.573

  No H/Q in entry =           4
  In of MODEL   23
    1    H    GLU  38           H        GLU  38  -4.798   3.137   1.412
    2    HA   GLU  38           HA       GLU  38  -4.537   3.898  -1.354
    3    HB2  GLU  38           HB2      GLU  38  -4.739   5.605   1.134
    4    HB3  GLU  38           HB3      GLU  38  -4.862   6.191  -0.519
    5    HG2  GLU  38           HG2      GLU  38  -6.716   4.032   0.288
    6    HG3  GLU  38           HG3      GLU  38  -6.985   5.633   0.978

  No H/Q in entry =           6
  In of MODEL   23
    1    H    CYS  39           H        CYS  39  -2.361   2.971  -1.580
    2    HA   CYS  39           HA       CYS  39  -0.074   3.686  -0.264
    3    HB2  CYS  39           HB2      CYS  39  -0.199   2.040  -2.112
    4    HB3  CYS  39           HB3      CYS  39  -0.346   3.364  -3.261

  No H/Q in entry =           4
  In of MODEL   23
    1    HA   PRO  40           HA       PRO  40   0.001   8.163  -0.657
    2    HB2  PRO  40           HB2      PRO  40   2.869   7.638  -0.025
    3    HB3  PRO  40           HB3      PRO  40   1.749   8.792   0.707
    4    HG2  PRO  40           HG2      PRO  40   2.398   6.547   1.979
    5    HG3  PRO  40           HG3      PRO  40   0.741   7.176   2.032
    6    HD2  PRO  40           HD2      PRO  40   1.852   4.883   0.482
    7    HD3  PRO  40           HD3      PRO  40   0.253   5.074   1.228

  No H/Q in entry =           7
  In of MODEL   23
    1    H    SER  41           H        SER  41   1.046   9.732  -2.008
    2    HA   SER  41           HA       SER  41   2.110   8.545  -4.462
    3    HB2  SER  41           HB2      SER  41   0.233   9.970  -4.863
    4    HB3  SER  41           HB3      SER  41   0.916  11.256  -3.868
    5    HG   SER  41           HG       SER  41   1.221  10.878  -6.463

  No H/Q in entry =           5
  In of MODEL   23
    1    H    TYR  42           H        TYR  42   3.715   8.916  -2.015
    2    HA   TYR  42           HA       TYR  42   5.896  10.415  -3.255
    3    HB2  TYR  42           HB2      TYR  42   6.419  11.647  -1.284
    4    HB3  TYR  42           HB3      TYR  42   4.695  11.868  -1.563
    5    HD1  TYR  42           HD1      TYR  42   7.182  10.073   0.502
    6    HD2  TYR  42           HD2      TYR  42   3.097  11.168   0.048
    7    HE1  TYR  42           HE1      TYR  42   6.727   9.292   2.787
    8    HE2  TYR  42           HE2      TYR  42   2.629  10.391   2.334
    9    HH   TYR  42           HH       TYR  42   3.806   9.980   4.417

  No H/Q in entry =           9
  In of MODEL   23
    1    HA   PRO  43           HA       PRO  43   8.080   6.750  -2.030
    2    HB2  PRO  43           HB2      PRO  43  10.610   7.580  -2.462
    3    HB3  PRO  43           HB3      PRO  43   9.491   7.238  -3.788
    4    HG2  PRO  43           HG2      PRO  43  10.239   9.875  -2.576
    5    HG3  PRO  43           HG3      PRO  43  10.086   9.437  -4.288
    6    HD2  PRO  43           HD2      PRO  43   8.139  10.750  -2.932
    7    HD3  PRO  43           HD3      PRO  43   7.790   9.625  -4.260

  No H/Q in entry =           7
  In of MODEL   23
    1    H    GLY  44           H        GLY  44   9.364   5.928  -0.343
    2    HA3  GLY  44           HA2      GLY  44   9.160   7.227   2.127
    3    HA2  GLY  44           HA3      GLY  44  10.179   5.834   1.799

  No H/Q in entry =           3
  In of MODEL   23
    1    H    ASN  45           H        ASN  45  11.787   7.161  -0.209
    2    HA   ASN  45           HA       ASN  45  13.814   8.200   1.427
    3    HB2  ASN  45           HB2      ASN  45  13.444   8.592  -1.551
    4    HB3  ASN  45           HB3      ASN  45  14.945   8.810  -0.656
    5   HD21  ASN  45          HD21      ASN  45  16.016   7.269  -1.873
    6   HD22  ASN  45          HD22      ASN  45  15.709   5.577  -1.700

  No H/Q in entry =           6
  In of MODEL   23
    1    H    GLY  46           H        GLY  46  11.176   9.740  -0.273
    2    HA3  GLY  46           HA2      GLY  46  11.877  12.261   1.057
    3    HA2  GLY  46           HA3      GLY  46  11.629  12.275  -0.682

  No H/Q in entry =           3
  In of MODEL   24
    1    H1   ALA   1           H3       ALA   1 -18.329   0.170   7.831
    2    H2   ALA   1           H2       ALA   1 -19.845   0.155   8.635
    3    H3   ALA   1           H1       ALA   1 -18.480  -0.592   9.359
    4    HA   ALA   1           HA       ALA   1 -19.663  -2.332   8.542
    5    HB1  ALA   1           HB1      ALA   1 -20.886  -2.367   6.552
    6    HB3  ALA   1           HB2      ALA   1 -19.998  -1.002   5.875
    7    HB2  ALA   1           HB3      ALA   1 -21.146  -0.742   7.188

  No H/Q in entry =           7
  In of MODEL   24
    1    H    MET   2           H        MET   2 -17.756  -3.436   8.690
    2    HA   MET   2           HA       MET   2 -15.508  -3.082   7.056
    3    HB2  MET   2           HB2      MET   2 -16.301  -5.702   8.318
    4    HB3  MET   2           HB3      MET   2 -14.680  -5.113   7.977
    5    HG2  MET   2           HG2      MET   2 -15.454  -3.183   9.626
    6    HG3  MET   2           HG3      MET   2 -16.506  -4.469  10.214
    7    HE3  MET   2           HE1      MET   2 -12.423  -4.407   9.163
    8    HE2  MET   2           HE2      MET   2 -12.099  -3.861  10.808
    9    HE1  MET   2           HE3      MET   2 -13.215  -2.958   9.783

  No H/Q in entry =           9
  In of MODEL   24
    1    H    ASP   3           H        ASP   3 -14.724  -4.247   5.279
    2    HA   ASP   3           HA       ASP   3 -16.168  -6.314   3.993
    3    HB2  ASP   3           HB2      ASP   3 -17.607  -4.249   3.537
    4    HB3  ASP   3           HB3      ASP   3 -16.286  -3.687   2.517

  No H/Q in entry =           4
  In of MODEL   24
    1    H    CYS   4           H        CYS   4 -13.482  -5.747   4.788
    2    HA   CYS   4           HA       CYS   4 -11.349  -6.002   4.042
    3    HB2  CYS   4           HB2      CYS   4 -12.967  -7.142   1.805
    4    HB3  CYS   4           HB3      CYS   4 -11.241  -6.899   1.557

  No H/Q in entry =           4
  In of MODEL   24
    1    H    THR   5           H        THR   5  -9.925  -5.452   1.918
    2    HA   THR   5           HA       THR   5 -10.766  -2.829   0.902
    3    HB   THR   5           HB       THR   5  -7.915  -2.919   1.445
    4    HG1  THR   5           HG1      THR   5  -8.194  -3.979   3.280
    5   HG23  THR   5          HG21      THR   5  -8.329  -0.807   2.558
    6   HG22  THR   5          HG22      THR   5 -10.069  -1.080   2.457
    7   HG21  THR   5          HG23      THR   5  -9.124  -0.854   0.985

  No H/Q in entry =           7
  In of MODEL   24
    1    H    THR   6           H        THR   6  -9.965  -2.287  -1.133
    2    HA   THR   6           HA       THR   6  -8.327  -4.321  -2.484
    3    HB   THR   6           HB       THR   6  -9.743  -4.109  -4.494
    4    HG1  THR   6           HG1      THR   6 -11.294  -2.459  -2.798
    5   HG22  THR   6          HG21      THR   6 -11.979  -4.860  -3.066
    6   HG21  THR   6          HG22      THR   6 -10.632  -5.305  -2.018
    7   HG23  THR   6          HG23      THR   6 -10.707  -5.923  -3.668

  No H/Q in entry =           7
  In of MODEL   24
    1    H    GLY   7           H        GLY   7  -6.587  -3.452  -3.398
    2    HA3  GLY   7           HA2      GLY   7  -6.495  -1.290  -5.108
    3    HA2  GLY   7           HA3      GLY   7  -6.215  -0.623  -3.508

  No H/Q in entry =           3
  In of MODEL   24
    1    HA   PRO   8           HA       PRO   8  -2.102  -1.976  -5.034
    2    HB2  PRO   8           HB2      PRO   8  -0.760   0.285  -4.527
    3    HB3  PRO   8           HB3      PRO   8  -1.790   0.124  -5.954
    4    HG2  PRO   8           HG2      PRO   8  -2.336   1.513  -3.367
    5    HG3  PRO   8           HG3      PRO   8  -2.755   2.007  -5.016
    6    HD2  PRO   8           HD2      PRO   8  -4.491   0.787  -3.235
    7    HD3  PRO   8           HD3      PRO   8  -4.693   0.810  -4.997

  No H/Q in entry =           7
  In of MODEL   24
    1    H    CYS   9           H        CYS   9  -2.603   0.027  -2.114
    2    HA   CYS   9           HA       CYS   9  -0.358  -0.954  -0.720
    3    HB2  CYS   9           HB2      CYS   9  -2.317   0.989  -0.286
    4    HB3  CYS   9           HB3      CYS   9  -2.507  -0.141   1.050

  No H/Q in entry =           4
  In of MODEL   24
    1    H    CYS  10           H        CYS  10  -3.796  -1.828  -0.493
    2    HA   CYS  10           HA       CYS  10  -3.239  -3.971   1.347
    3    HB2  CYS  10           HB2      CYS  10  -5.616  -4.396   1.303
    4    HB3  CYS  10           HB3      CYS  10  -5.345  -2.664   1.434

  No H/Q in entry =           4
  In of MODEL   24
    1    H    ARG  11           H        ARG  11  -3.056  -6.100   0.934
    2    HA   ARG  11           HA       ARG  11  -2.244  -6.992  -1.572
    3    HB2  ARG  11           HB2      ARG  11  -1.645  -8.169   0.463
    4    HB3  ARG  11           HB3      ARG  11  -3.329  -8.571   0.766
    5    HG2  ARG  11           HG2      ARG  11  -3.397 -10.112  -0.995
    6    HG3  ARG  11           HG3      ARG  11  -1.916  -9.480  -1.718
    7    HD2  ARG  11           HD2      ARG  11  -0.907 -10.196   0.623
    8    HD3  ARG  11           HD3      ARG  11  -2.278 -11.304   0.602
    9    HE   ARG  11           HE       ARG  11  -1.109 -11.618  -1.844
   10   HH11  ARG  11          HH11      ARG  11  -0.004 -11.863   1.457
   11   HH12  ARG  11          HH12      ARG  11   1.193 -13.062   1.098
   12   HH21  ARG  11          HH21      ARG  11   0.464 -13.195  -2.317
   13   HH22  ARG  11          HH22      ARG  11   1.460 -13.818  -1.044

  No H/Q in entry =          13
  In of MODEL   24
    1    H    GLN  12           H        GLN  12  -5.098  -8.422  -0.014
    2    HA   GLN  12           HA       GLN  12  -6.689  -7.899  -2.402
    3    HB2  GLN  12           HB2      GLN  12  -5.354 -10.195  -2.392
    4    HB3  GLN  12           HB3      GLN  12  -6.716 -10.699  -1.403
    5    HG2  GLN  12           HG2      GLN  12  -8.244 -10.393  -3.123
    6    HG3  GLN  12           HG3      GLN  12  -7.158  -9.340  -4.028
    7   HE21  GLN  12          HE21      GLN  12  -8.498 -12.310  -3.987
    8   HE22  GLN  12          HE22      GLN  12  -7.326 -13.184  -4.907

  No H/Q in entry =           8
  In of MODEL   24
    1    H    CYS  13           H        CYS  13  -6.568  -7.598   0.769
    2    HA   CYS  13           HA       CYS  13  -9.376  -7.410   1.080
    3    HB2  CYS  13           HB2      CYS  13  -8.264  -9.972   1.605
    4    HB3  CYS  13           HB3      CYS  13  -8.731  -9.270   3.150

  No H/Q in entry =           4
  In of MODEL   24
    1    H    LYS  14           H        LYS  14  -6.230  -7.658   2.693
    2    HA   LYS  14           HA       LYS  14  -7.125  -5.521   4.512
    3    HB2  LYS  14           HB2      LYS  14  -5.702  -8.071   5.111
    4    HB3  LYS  14           HB3      LYS  14  -5.278  -6.646   6.049
    5    HG2  LYS  14           HG2      LYS  14  -6.929  -7.402   7.380
    6    HG3  LYS  14           HG3      LYS  14  -7.944  -6.513   6.242
    7    HD2  LYS  14           HD2      LYS  14  -8.664  -8.435   5.180
    8    HD3  LYS  14           HD3      LYS  14  -7.254  -9.366   5.687
    9    HE2  LYS  14           HE2      LYS  14  -8.083  -9.391   7.980
   10    HE3  LYS  14           HE3      LYS  14  -9.478  -8.427   7.496
   11    HZ2  LYS  14           HZ1      LYS  14  -9.648 -11.005   7.673
   12    HZ1  LYS  14           HZ2      LYS  14  -8.966 -10.972   6.125
   13    HZ3  LYS  14           HZ3      LYS  14 -10.435 -10.185   6.418

  No H/Q in entry =          13
  In of MODEL   24
    1    H    LEU  15           H        LEU  15  -5.671  -3.902   4.976
    2    HA   LEU  15           HA       LEU  15  -3.856  -3.129   3.038
    3    HB2  LEU  15           HB2      LEU  15  -2.895  -1.660   4.909
    4    HB3  LEU  15           HB3      LEU  15  -4.576  -1.438   4.464
    5    HG   LEU  15           HG       LEU  15  -4.567  -3.357   6.530
    6   HD11  LEU  15          HD11      LEU  15  -2.206  -2.039   6.772
    7   HD13  LEU  15          HD12      LEU  15  -3.106  -2.747   8.114
    8   HD12  LEU  15          HD13      LEU  15  -3.271  -1.030   7.750
    9   HD22  LEU  15          HD21      LEU  15  -6.403  -2.037   6.579
   10   HD21  LEU  15          HD22      LEU  15  -5.518  -0.596   6.077
   11   HD23  LEU  15          HD23      LEU  15  -5.438  -1.142   7.752

  No H/Q in entry =          11
  In of MODEL   24
    1    H    LYS  16           H        LYS  16  -1.820  -3.675   2.548
    2    HA   LYS  16           HA       LYS  16  -0.551  -5.871   3.724
    3    HB2  LYS  16           HB2      LYS  16   0.479  -3.678   1.927
    4    HB3  LYS  16           HB3      LYS  16   1.490  -5.019   2.448
    5    HG2  LYS  16           HG2      LYS  16  -0.062  -6.594   1.406
    6    HG3  LYS  16           HG3      LYS  16  -1.070  -5.246   0.878
    7    HD2  LYS  16           HD2      LYS  16   1.471  -4.584  -0.018
    8    HD3  LYS  16           HD3      LYS  16   1.358  -6.323  -0.294
    9    HE2  LYS  16           HE2      LYS  16  -1.083  -5.424  -1.158
   10    HE3  LYS  16           HE3      LYS  16  -0.007  -4.111  -1.632
   11    HZ3  LYS  16           HZ1      LYS  16   1.344  -5.642  -2.852
   12    HZ2  LYS  16           HZ2      LYS  16  -0.261  -5.848  -3.345
   13    HZ1  LYS  16           HZ3      LYS  16   0.451  -6.968  -2.296

  No H/Q in entry =          13
  In of MODEL   24
    1    HA   PRO  17           HA       PRO  17   1.568  -4.370   7.279
    2    HB2  PRO  17           HB2      PRO  17   4.077  -5.463   6.941
    3    HB3  PRO  17           HB3      PRO  17   2.679  -6.339   7.572
    4    HG2  PRO  17           HG2      PRO  17   3.813  -6.318   4.806
    5    HG3  PRO  17           HG3      PRO  17   3.169  -7.678   5.745
    6    HD2  PRO  17           HD2      PRO  17   1.733  -6.504   3.805
    7    HD3  PRO  17           HD3      PRO  17   0.968  -7.114   5.288

  No H/Q in entry =           7
  In of MODEL   24
    1    H    ALA  18           H        ALA  18   2.435  -2.448   7.745
    2    HA   ALA  18           HA       ALA  18   3.293  -0.583   5.945
    3    HB2  ALA  18           HB1      ALA  18   4.006   0.727   7.747
    4    HB1  ALA  18           HB2      ALA  18   4.459  -0.681   8.708
    5    HB3  ALA  18           HB3      ALA  18   2.757  -0.312   8.432

  No H/Q in entry =           5
  In of MODEL   24
    1    H    GLY  19           H        GLY  19   5.443   0.389   5.605
    2    HA3  GLY  19           HA2      GLY  19   7.688   0.280   5.090
    3    HA2  GLY  19           HA3      GLY  19   7.804  -1.136   6.125

  No H/Q in entry =           3
  In of MODEL   24
    1    H    THR  20           H        THR  20   5.355  -1.513   3.848
    2    HA   THR  20           HA       THR  20   7.150  -3.080   2.116
    3    HB   THR  20           HB       THR  20   4.220  -3.524   2.728
    4    HG1  THR  20           HG1      THR  20   5.548  -4.146   4.438
    5   HG22  THR  20          HG21      THR  20   5.935  -5.539   1.369
    6   HG21  THR  20          HG22      THR  20   5.188  -4.252   0.421
    7   HG23  THR  20          HG23      THR  20   4.181  -5.355   1.359

  No H/Q in entry =           7
  In of MODEL   24
    1    H    THR  21           H        THR  21   7.416  -2.274   0.146
    2    HA   THR  21           HA       THR  21   6.303  -0.025  -0.897
    3    HB   THR  21           HB       THR  21   8.208  -0.999  -1.948
    4    HG1  THR  21           HG1      THR  21   6.144  -1.280  -3.856
    5   HG21  THR  21          HG21      THR  21   6.551  -3.394  -2.070
    6   HG23  THR  21          HG22      THR  21   8.305  -3.219  -2.008
    7   HG22  THR  21          HG23      THR  21   7.455  -3.053  -3.546

  No H/Q in entry =           7
  In of MODEL   24
    1    H    CYS  22           H        CYS  22   4.277   0.527  -1.278
    2    HA   CYS  22           HA       CYS  22   2.295  -1.525  -1.876
    3    HB2  CYS  22           HB2      CYS  22   0.671   0.392  -1.623
    4    HB3  CYS  22           HB3      CYS  22   1.604  -0.001  -0.185

  No H/Q in entry =           4
  In of MODEL   24
    1    H    TRP  23           H        TRP  23   4.239  -0.858  -3.916
    2    HA   TRP  23           HA       TRP  23   2.536  -0.669  -6.125
    3    HB2  TRP  23           HB2      TRP  23   2.895   1.811  -5.018
    4    HB3  TRP  23           HB3      TRP  23   4.154   1.777  -6.248
    5    HD1  TRP  23           HD1      TRP  23   1.773  -0.255  -7.855
    6    HE1  TRP  23           HE1      TRP  23   0.158   1.071  -9.358
    7    HE3  TRP  23           HE3      TRP  23   2.593   4.414  -5.985
    8    HZ2  TRP  23           HZ2      TRP  23  -0.657   3.748  -9.696
    9    HZ3  TRP  23           HZ3      TRP  23   1.365   6.313  -6.954
   10    HH2  TRP  23           HH2      TRP  23  -0.223   5.982  -8.777

  No H/Q in entry =          10
  In of MODEL   24
    1    H    LYS  24           H        LYS  24   5.710   0.804  -5.577
    2    HA   LYS  24           HA       LYS  24   7.779   0.334  -6.399
    3    HB2  LYS  24           HB2      LYS  24   7.235  -1.943  -5.456
    4    HB3  LYS  24           HB3      LYS  24   6.709  -2.407  -7.067
    5    HG2  LYS  24           HG2      LYS  24   8.816  -3.118  -7.304
    6    HG3  LYS  24           HG3      LYS  24   9.175  -1.415  -7.596
    7    HD2  LYS  24           HD2      LYS  24   9.328  -1.393  -4.943
    8    HD3  LYS  24           HD3      LYS  24   9.716  -3.094  -5.207
    9    HE2  LYS  24           HE2      LYS  24  11.705  -2.628  -6.190
   10    HE3  LYS  24           HE3      LYS  24  11.112  -1.141  -6.929
   11    HZ2  LYS  24           HZ1      LYS  24  12.107  -1.560  -4.181
   12    HZ1  LYS  24           HZ2      LYS  24  11.124  -0.236  -4.558
   13    HZ3  LYS  24           HZ3      LYS  24  12.617  -0.427  -5.330

  No H/Q in entry =          13
  In of MODEL   24
    1    H    THR  25           H        THR  25   5.583   1.357  -8.071
    2    HA   THR  25           HA       THR  25   5.506   0.316 -10.631
    3    HB   THR  25           HB       THR  25   5.241   3.125  -9.574
    4    HG1  THR  25           HG1      THR  25   3.341   2.330  -9.261
    5   HG21  THR  25          HG21      THR  25   6.069   3.351 -11.874
    6   HG23  THR  25          HG22      THR  25   4.397   3.882 -11.699
    7   HG22  THR  25          HG23      THR  25   4.753   2.318 -12.432

  No H/Q in entry =           7
  In of MODEL   24
    1    H    SER  26           H        SER  26   6.619   0.864 -12.575
    2    HA   SER  26           HA       SER  26   9.456   1.095 -12.211
    3    HB2  SER  26           HB2      SER  26   8.316  -0.372 -13.934
    4    HB3  SER  26           HB3      SER  26   7.957   1.100 -14.835
    5    HG   SER  26           HG       SER  26  10.082  -0.264 -15.102

  No H/Q in entry =           5
  In of MODEL   24
    1    H    VAL  27           H        VAL  27   8.687   3.350 -11.184
    2    HA   VAL  27           HA       VAL  27  10.048   5.371 -12.399
    3    HB   VAL  27           HB       VAL  27   8.505   5.341 -14.277
    4   HG11  VAL  27          HG11      VAL  27   6.418   5.522 -12.137
    5   HG13  VAL  27          HG12      VAL  27   6.527   4.403 -13.496
    6   HG12  VAL  27          HG13      VAL  27   6.091   6.089 -13.774
    7   HG22  VAL  27          HG21      VAL  27   7.907   7.650 -14.345
    8   HG21  VAL  27          HG22      VAL  27   9.404   7.515 -13.422
    9   HG23  VAL  27          HG23      VAL  27   7.870   7.750 -12.584

  No H/Q in entry =           9
  In of MODEL   24
    1    H    SER  28           H        SER  28   7.264   4.458 -10.506
    2    HA   SER  28           HA       SER  28   7.529   6.878  -8.875
    3    HB2  SER  28           HB2      SER  28   5.285   5.500  -9.847
    4    HB3  SER  28           HB3      SER  28   5.320   5.180  -8.113
    5    HG   SER  28           HG       SER  28   4.547   7.391  -9.356

  No H/Q in entry =           5
  In of MODEL   24
    1    H    SER  29           H        SER  29   6.498   3.584  -8.079
    2    HA   SER  29           HA       SER  29   7.068   2.163  -6.399
    3    HB2  SER  29           HB2      SER  29   9.670   3.441  -5.804
    4    HB3  SER  29           HB3      SER  29   9.292   1.750  -6.134
    5    HG   SER  29           HG       SER  29   9.383   2.139  -8.286

  No H/Q in entry =           5
  In of MODEL   24
    1    H    HIS  30           H        HIS  30   6.068   2.316  -4.525
    2    HA   HIS  30           HA       HIS  30   6.699   4.582  -2.759
    3    HB2  HIS  30           HB2      HIS  30   3.956   3.406  -3.261
    4    HB3  HIS  30           HB3      HIS  30   4.326   4.724  -2.149
    5    HD1  HIS  30           HD1      HIS  30   3.521   6.836  -3.147
    6    HD2  HIS  30           HD2      HIS  30   5.167   4.309  -6.005
    7    HE1  HIS  30           HE1      HIS  30   3.420   8.110  -5.314
    8    HE2  HIS  30           HE2      HIS  30   4.268   6.499  -7.044

  No H/Q in entry =           8
  In of MODEL   24
    1    H    TYR  31           H        TYR  31   5.031   3.839  -0.635
    2    HA   TYR  31           HA       TYR  31   5.686   1.104   0.071
    3    HB2  TYR  31           HB2      TYR  31   7.081   3.465   1.192
    4    HB3  TYR  31           HB3      TYR  31   6.595   2.220   2.339
    5    HD1  TYR  31           HD1      TYR  31   9.040   3.212  -0.055
    6    HD2  TYR  31           HD2      TYR  31   7.322  -0.192   1.830
    7    HE1  TYR  31           HE1      TYR  31  11.014   1.881  -0.672
    8    HE2  TYR  31           HE2      TYR  31   9.289  -1.533   1.219
    9    HH   TYR  31           HH       TYR  31  12.145  -0.321   0.358

  No H/Q in entry =           9
  In of MODEL   24
    1    H    CYS  32           H        CYS  32   4.274   0.210   1.468
    2    HA   CYS  32           HA       CYS  32   1.931   1.735   2.139
    3    HB2  CYS  32           HB2      CYS  32   2.231  -0.832   1.472
    4    HB3  CYS  32           HB3      CYS  32   2.339  -1.009   3.219

  No H/Q in entry =           4
  In of MODEL   24
    1    H    THR  33           H        THR  33   1.161   2.229   4.177
    2    HA   THR  33           HA       THR  33   3.206   2.269   6.280
    3    HB   THR  33           HB       THR  33   2.161   4.162   7.178
    4    HG1  THR  33           HG1      THR  33  -0.129   3.342   5.740
    5   HG21  THR  33          HG21      THR  33   2.800   4.255   4.504
    6   HG23  THR  33          HG22      THR  33   2.503   5.637   5.559
    7   HG22  THR  33          HG23      THR  33   1.195   4.980   4.575

  No H/Q in entry =           7
  In of MODEL   24
    1    H    GLY  34           H        GLY  34   1.190   0.069   5.457
    2    HA3  GLY  34           HA2      GLY  34  -0.193  -1.452   6.496
    3    HA2  GLY  34           HA3      GLY  34   0.872  -1.194   7.868

  No H/Q in entry =           3
  In of MODEL   24
    1    H    ARG  35           H        ARG  35  -1.538   0.912   6.303
    2    HA   ARG  35           HA       ARG  35  -3.091   0.890   8.787
    3    HB2  ARG  35           HB2      ARG  35  -1.811   3.248   7.485
    4    HB3  ARG  35           HB3      ARG  35  -3.378   3.464   8.254
    5    HG2  ARG  35           HG2      ARG  35  -2.232   2.280  10.276
    6    HG3  ARG  35           HG3      ARG  35  -0.744   2.790   9.475
    7    HD2  ARG  35           HD2      ARG  35  -2.696   4.928   9.580
    8    HD3  ARG  35           HD3      ARG  35  -2.325   4.306  11.187
    9    HE   ARG  35           HE       ARG  35  -0.216   5.191  11.013
   10   HH11  ARG  35          HH11      ARG  35  -1.726   5.213   7.866
   11   HH12  ARG  35          HH12      ARG  35  -0.480   6.170   7.138
   12   HH21  ARG  35          HH21      ARG  35   1.422   6.450  10.057
   13   HH22  ARG  35          HH22      ARG  35   1.307   6.872   8.381

  No H/Q in entry =          13
  In of MODEL   24
    1    H    SER  36           H        SER  36  -2.961   1.898   5.398
    2    HA   SER  36           HA       SER  36  -5.778   1.146   5.134
    3    HB2  SER  36           HB2      SER  36  -6.344   3.168   3.931
    4    HB3  SER  36           HB3      SER  36  -5.658   3.617   5.492
    5    HG   SER  36           HG       SER  36  -4.297   3.589   3.000

  No H/Q in entry =           5
  In of MODEL   24
    1    H    CYS  37           H        CYS  37  -6.455   0.909   2.855
    2    HA   CYS  37           HA       CYS  37  -4.441  -0.503   1.373
    3    HB2  CYS  37           HB2      CYS  37  -6.702  -1.374   1.424
    4    HB3  CYS  37           HB3      CYS  37  -7.332   0.123   0.750

  No H/Q in entry =           4
  In of MODEL   24
    1    H    GLU  38           H        GLU  38  -5.338   2.730   1.534
    2    HA   GLU  38           HA       GLU  38  -4.918   3.369  -1.246
    3    HB2  GLU  38           HB2      GLU  38  -6.423   4.634   0.392
    4    HB3  GLU  38           HB3      GLU  38  -4.944   5.327   1.042
    5    HG2  GLU  38           HG2      GLU  38  -5.200   5.511  -1.870
    6    HG3  GLU  38           HG3      GLU  38  -6.419   6.404  -0.960

  No H/Q in entry =           6
  In of MODEL   24
    1    H    CYS  39           H        CYS  39  -2.892   2.976  -1.957
    2    HA   CYS  39           HA       CYS  39  -0.551   3.321  -0.404
    3    HB2  CYS  39           HB2      CYS  39  -0.613   1.793  -2.314
    4    HB3  CYS  39           HB3      CYS  39  -0.886   3.144  -3.409

  No H/Q in entry =           4
  In of MODEL   24
    1    HA   PRO  40           HA       PRO  40  -0.355   7.795  -0.539
    2    HB2  PRO  40           HB2      PRO  40   2.365   7.910   0.061
    3    HB3  PRO  40           HB3      PRO  40   1.051   7.887   1.240
    4    HG2  PRO  40           HG2      PRO  40   2.772   5.650   0.272
    5    HG3  PRO  40           HG3      PRO  40   2.143   5.962   1.900
    6    HD2  PRO  40           HD2      PRO  40   1.057   4.091   0.327
    7    HD3  PRO  40           HD3      PRO  40   0.049   5.094   1.391

  No H/Q in entry =           7
  In of MODEL   24
    1    H    SER  41           H        SER  41   0.829   9.456  -1.714
    2    HA   SER  41           HA       SER  41   1.728   8.454  -4.311
    3    HB2  SER  41           HB2      SER  41   1.258  11.356  -3.709
    4    HB3  SER  41           HB3      SER  41   1.072  10.492  -5.235
    5    HG   SER  41           HG       SER  41  -0.934  10.211  -4.722

  No H/Q in entry =           5
  In of MODEL   24
    1    H    TYR  42           H        TYR  42   3.442   8.405  -1.922
    2    HA   TYR  42           HA       TYR  42   5.737   9.726  -3.110
    3    HB2  TYR  42           HB2      TYR  42   6.387  10.932  -1.143
    4    HB3  TYR  42           HB3      TYR  42   4.724  11.376  -1.507
    5    HD1  TYR  42           HD1      TYR  42   6.801   9.213   0.680
    6    HD2  TYR  42           HD2      TYR  42   3.029  11.091   0.098
    7    HE1  TYR  42           HE1      TYR  42   6.148   8.592   2.967
    8    HE2  TYR  42           HE2      TYR  42   2.364  10.477   2.385
    9    HH   TYR  42           HH       TYR  42   3.710   8.203   4.144

  No H/Q in entry =           9
  In of MODEL   24
    1    HA   PRO  43           HA       PRO  43   7.604   5.975  -1.682
    2    HB2  PRO  43           HB2      PRO  43  10.201   6.582  -2.018
    3    HB3  PRO  43           HB3      PRO  43   9.113   6.347  -3.392
    4    HG2  PRO  43           HG2      PRO  43  10.056   8.899  -2.139
    5    HG3  PRO  43           HG3      PRO  43   9.915   8.483  -3.857
    6    HD2  PRO  43           HD2      PRO  43   8.056   9.960  -2.515
    7    HD3  PRO  43           HD3      PRO  43   7.663   8.930  -3.907

  No H/Q in entry =           7
  In of MODEL   24
    1    H    GLY  44           H        GLY  44   8.416   5.097   0.176
    2    HA3  GLY  44           HA2      GLY  44   8.398   6.596   2.541
    3    HA2  GLY  44           HA3      GLY  44   9.067   4.980   2.374

  No H/Q in entry =           3
  In of MODEL   24
    1    H    ASN  45           H        ASN  45  11.044   5.754   0.390
    2    HA   ASN  45           HA       ASN  45  12.982   6.936   2.229
    3    HB2  ASN  45           HB2      ASN  45  13.277   4.737   0.809
    4    HB3  ASN  45           HB3      ASN  45  13.726   5.866  -0.466
    5   HD21  ASN  45          HD21      ASN  45  14.416   5.130   2.929
    6   HD22  ASN  45          HD22      ASN  45  16.103   5.494   2.844

  No H/Q in entry =           6
  In of MODEL   24
    1    H    GLY  46           H        GLY  46  12.099   9.097   1.987
    2    HA3  GLY  46           HA2      GLY  46  13.419  10.988   0.809
    3    HA2  GLY  46           HA3      GLY  46  12.629  10.345  -0.623

  No H/Q in entry =           3
  In of MODEL   25
    1    H1   ALA   1           H2       ALA   1 -21.556  -7.953   4.803
    2    H2   ALA   1           H1       ALA   1 -22.332  -6.571   4.145
    3    H3   ALA   1           H3       ALA   1 -21.186  -7.437   3.209
    4    HA   ALA   1           HA       ALA   1 -20.252  -5.431   4.034
    5    HB2  ALA   1           HB1      ALA   1 -20.379  -4.731   6.181
    6    HB3  ALA   1           HB2      ALA   1 -20.315  -6.368   6.835
    7    HB1  ALA   1           HB3      ALA   1 -21.825  -5.740   6.176

  No H/Q in entry =           7
  In of MODEL   25
    1    H    MET   2           H        MET   2 -18.042  -5.326   4.984
    2    HA   MET   2           HA       MET   2 -16.647  -7.612   5.829
    3    HB2  MET   2           HB2      MET   2 -15.271  -7.944   3.732
    4    HB3  MET   2           HB3      MET   2 -16.922  -8.545   3.665
    5    HG2  MET   2           HG2      MET   2 -16.973  -7.481   1.701
    6    HG3  MET   2           HG3      MET   2 -17.271  -6.055   2.692
    7    HE1  MET   2           HE1      MET   2 -15.975  -7.241  -0.043
    8    HE3  MET   2           HE2      MET   2 -14.211  -7.262  -0.064
    9    HE2  MET   2           HE3      MET   2 -15.082  -5.805  -0.546

  No H/Q in entry =           9
  In of MODEL   25
    1    H    ASP   3           H        ASP   3 -16.335  -4.670   3.864
    2    HA   ASP   3           HA       ASP   3 -14.914  -2.898   3.986
    3    HB2  ASP   3           HB2      ASP   3 -14.443  -3.835   6.823
    4    HB3  ASP   3           HB3      ASP   3 -14.099  -2.231   6.183

  No H/Q in entry =           4
  In of MODEL   25
    1    H    CYS   4           H        CYS   4 -13.530  -3.964   2.456
    2    HA   CYS   4           HA       CYS   4 -11.088  -5.119   3.616
    3    HB2  CYS   4           HB2      CYS   4 -12.457  -5.445   0.971
    4    HB3  CYS   4           HB3      CYS   4 -10.727  -5.744   1.095

  No H/Q in entry =           4
  In of MODEL   25
    1    H    THR   5           H        THR   5 -12.331  -2.456   1.775
    2    HA   THR   5           HA       THR   5 -11.377  -0.542   0.998
    3    HB   THR   5           HB       THR   5  -8.835  -1.108   2.462
    4    HG1  THR   5           HG1      THR   5 -11.345  -0.609   3.672
    5   HG23  THR   5          HG21      THR   5  -8.829   1.175   2.969
    6   HG22  THR   5          HG22      THR   5 -10.535   1.357   2.558
    7   HG21  THR   5          HG23      THR   5  -9.346   1.076   1.286

  No H/Q in entry =           7
  In of MODEL   25
    1    H    THR   6           H        THR   6 -11.331  -2.095  -0.965
    2    HA   THR   6           HA       THR   6  -8.965  -3.235  -1.897
    3    HB   THR   6           HB       THR   6 -10.001  -2.962  -4.179
    4    HG1  THR   6           HG1      THR   6 -12.168  -1.845  -2.742
    5   HG23  THR   6          HG21      THR   6 -11.424  -4.685  -3.894
    6   HG22  THR   6          HG22      THR   6 -12.214  -3.949  -2.499
    7   HG21  THR   6          HG23      THR   6 -10.650  -4.744  -2.311

  No H/Q in entry =           7
  In of MODEL   25
    1    H    GLY   7           H        GLY   7  -7.076  -2.264  -2.181
    2    HA3  GLY   7           HA2      GLY   7  -6.897   0.081  -3.866
    3    HA2  GLY   7           HA3      GLY   7  -6.424   0.356  -2.196

  No H/Q in entry =           3
  In of MODEL   25
    1    HA   PRO   8           HA       PRO   8  -2.829  -1.241  -4.883
    2    HB2  PRO   8           HB2      PRO   8  -1.559   1.209  -3.817
    3    HB3  PRO   8           HB3      PRO   8  -1.548   0.563  -5.459
    4    HG2  PRO   8           HG2      PRO   8  -2.992   2.724  -4.824
    5    HG3  PRO   8           HG3      PRO   8  -3.580   1.526  -5.993
    6    HD2  PRO   8           HD2      PRO   8  -4.360   1.930  -3.135
    7    HD3  PRO   8           HD3      PRO   8  -5.372   1.505  -4.532

  No H/Q in entry =           7
  In of MODEL   25
    1    H    CYS   9           H        CYS   9  -2.801   0.424  -1.728
    2    HA   CYS   9           HA       CYS   9  -0.536  -0.963  -0.725
    3    HB2  CYS   9           HB2      CYS   9  -2.360   1.050   0.213
    4    HB3  CYS   9           HB3      CYS   9  -2.169  -0.181   1.455

  No H/Q in entry =           4
  In of MODEL   25
    1    H    CYS  10           H        CYS  10  -3.975  -1.598  -0.723
    2    HA   CYS  10           HA       CYS  10  -4.077  -3.614   1.217
    3    HB2  CYS  10           HB2      CYS  10  -5.858  -2.428  -0.611
    4    HB3  CYS  10           HB3      CYS  10  -5.899  -4.151  -0.960

  No H/Q in entry =           4
  In of MODEL   25
    1    H    ARG  11           H        ARG  11  -3.382  -5.657   1.248
    2    HA   ARG  11           HA       ARG  11  -2.043  -6.725  -1.089
    3    HB2  ARG  11           HB2      ARG  11  -1.566  -6.909   1.614
    4    HB3  ARG  11           HB3      ARG  11  -2.265  -8.479   1.248
    5    HG2  ARG  11           HG2      ARG  11  -0.578  -8.701  -0.590
    6    HG3  ARG  11           HG3      ARG  11   0.185  -7.235   0.029
    7    HD2  ARG  11           HD2      ARG  11   1.014  -8.279   1.862
    8    HD3  ARG  11           HD3      ARG  11  -0.369  -9.363   2.002
    9    HE   ARG  11           HE       ARG  11   1.249  -9.956  -0.276
   10   HH11  ARG  11          HH11      ARG  11   0.981 -10.402   3.175
   11   HH12  ARG  11          HH12      ARG  11   1.906 -11.865   3.184
   12   HH21  ARG  11          HH21      ARG  11   2.466 -11.882  -0.266
   13   HH22  ARG  11          HH22      ARG  11   2.749 -12.706   1.231

  No H/Q in entry =          13
  In of MODEL   25
    1    H    GLN  12           H        GLN  12  -5.143  -6.840   0.184
    2    HA   GLN  12           HA       GLN  12  -6.289  -8.410  -1.733
    3    HB2  GLN  12           HB2      GLN  12  -6.728 -10.536  -0.340
    4    HB3  GLN  12           HB3      GLN  12  -5.172 -10.380  -1.143
    5    HG2  GLN  12           HG2      GLN  12  -4.051  -9.941   0.851
    6    HG3  GLN  12           HG3      GLN  12  -5.538  -9.528   1.703
    7   HE21  GLN  12          HE21      GLN  12  -3.947 -12.231   0.060
    8   HE22  GLN  12          HE22      GLN  12  -4.542 -13.456   1.124

  No H/Q in entry =           8
  In of MODEL   25
    1    H    CYS  13           H        CYS  13  -6.239  -7.393   1.588
    2    HA   CYS  13           HA       CYS  13  -8.890  -6.411   1.481
    3    HB2  CYS  13           HB2      CYS  13  -9.457  -8.784   1.748
    4    HB3  CYS  13           HB3      CYS  13  -8.463  -8.863   3.199

  No H/Q in entry =           4
  In of MODEL   25
    1    H    LYS  14           H        LYS  14  -6.086  -7.319   3.391
    2    HA   LYS  14           HA       LYS  14  -6.750  -5.202   5.321
    3    HB2  LYS  14           HB2      LYS  14  -5.253  -7.768   5.526
    4    HB3  LYS  14           HB3      LYS  14  -4.713  -6.429   6.529
    5    HG2  LYS  14           HG2      LYS  14  -7.097  -6.239   7.340
    6    HG3  LYS  14           HG3      LYS  14  -7.396  -7.779   6.533
    7    HD2  LYS  14           HD2      LYS  14  -6.910  -8.330   8.771
    8    HD3  LYS  14           HD3      LYS  14  -5.435  -8.688   7.872
    9    HE2  LYS  14           HE2      LYS  14  -4.906  -6.161   8.534
   10    HE3  LYS  14           HE3      LYS  14  -5.982  -6.567   9.870
   11    HZ2  LYS  14           HZ1      LYS  14  -3.484  -6.982  10.141
   12    HZ1  LYS  14           HZ2      LYS  14  -3.732  -8.337   9.160
   13    HZ3  LYS  14           HZ3      LYS  14  -4.551  -8.200  10.633

  No H/Q in entry =          13
  In of MODEL   25
    1    H    LEU  15           H        LEU  15  -5.522  -3.423   5.434
    2    HA   LEU  15           HA       LEU  15  -3.809  -2.603   3.465
    3    HB2  LEU  15           HB2      LEU  15  -2.816  -1.097   5.354
    4    HB3  LEU  15           HB3      LEU  15  -4.472  -0.878   4.821
    5    HG   LEU  15           HG       LEU  15  -4.143  -2.752   7.069
    6   HD13  LEU  15          HD11      LEU  15  -3.286  -1.385   8.628
    7   HD12  LEU  15          HD12      LEU  15  -4.058   0.047   7.947
    8   HD11  LEU  15          HD13      LEU  15  -2.557  -0.561   7.250
    9   HD21  LEU  15          HD21      LEU  15  -6.226  -1.504   5.890
   10   HD23  LEU  15          HD22      LEU  15  -5.902  -0.397   7.225
   11   HD22  LEU  15          HD23      LEU  15  -6.243  -2.097   7.551

  No H/Q in entry =          11
  In of MODEL   25
    1    H    LYS  16           H        LYS  16  -1.933  -3.349   2.777
    2    HA   LYS  16           HA       LYS  16  -0.411  -5.329   3.881
    3    HB2  LYS  16           HB2      LYS  16   0.245  -3.092   2.001
    4    HB3  LYS  16           HB3      LYS  16   1.535  -4.141   2.571
    5    HG2  LYS  16           HG2      LYS  16   0.385  -6.082   1.676
    6    HG3  LYS  16           HG3      LYS  16  -0.956  -5.062   1.152
    7    HD2  LYS  16           HD2      LYS  16   1.168  -3.798   0.009
    8    HD3  LYS  16           HD3      LYS  16   1.684  -5.484  -0.060
    9    HE2  LYS  16           HE2      LYS  16   0.105  -6.043  -1.572
   10    HE3  LYS  16           HE3      LYS  16  -1.104  -4.976  -0.857
   11    HZ1  LYS  16           HZ1      LYS  16   1.179  -3.821  -2.311
   12    HZ3  LYS  16           HZ2      LYS  16  -0.370  -3.185  -2.072
   13    HZ2  LYS  16           HZ3      LYS  16  -0.135  -4.442  -3.179

  No H/Q in entry =          13
  In of MODEL   25
    1    HA   PRO  17           HA       PRO  17   1.664  -3.769   7.448
    2    HB2  PRO  17           HB2      PRO  17   4.116  -5.005   7.129
    3    HB3  PRO  17           HB3      PRO  17   2.685  -5.769   7.829
    4    HG2  PRO  17           HG2      PRO  17   3.772  -5.960   5.052
    5    HG3  PRO  17           HG3      PRO  17   3.056  -7.225   6.068
    6    HD2  PRO  17           HD2      PRO  17   1.672  -6.069   4.082
    7    HD3  PRO  17           HD3      PRO  17   0.889  -6.546   5.604

  No H/Q in entry =           7
  In of MODEL   25
    1    H    ALA  18           H        ALA  18   2.640  -1.885   7.842
    2    HA   ALA  18           HA       ALA  18   3.596  -0.150   5.952
    3    HB2  ALA  18           HB1      ALA  18   3.022   0.418   8.306
    4    HB3  ALA  18           HB2      ALA  18   4.521   1.155   7.740
    5    HB1  ALA  18           HB3      ALA  18   4.576  -0.253   8.801

  No H/Q in entry =           5
  In of MODEL   25
    1    H    GLY  19           H        GLY  19   5.837   0.730   5.709
    2    HA3  GLY  19           HA2      GLY  19   8.052   0.464   5.157
    3    HA2  GLY  19           HA3      GLY  19   8.105  -0.854   6.318

  No H/Q in entry =           3
  In of MODEL   25
    1    H    THR  20           H        THR  20   5.697  -1.238   3.948
    2    HA   THR  20           HA       THR  20   7.463  -3.004   2.383
    3    HB   THR  20           HB       THR  20   4.559  -3.454   3.105
    4    HG1  THR  20           HG1      THR  20   5.448  -5.233   4.264
    5   HG23  THR  20          HG21      THR  20   4.446  -5.216   1.736
    6   HG22  THR  20          HG22      THR  20   6.126  -5.673   2.013
    7   HG21  THR  20          HG23      THR  20   5.738  -4.394   0.862

  No H/Q in entry =           7
  In of MODEL   25
    1    H    THR  21           H        THR  21   7.591  -2.504   0.297
    2    HA   THR  21           HA       THR  21   6.461  -0.323  -0.898
    3    HB   THR  21           HB       THR  21   8.350  -1.693  -1.795
    4    HG1  THR  21           HG1      THR  21   7.338  -0.105  -3.085
    5   HG22  THR  21          HG21      THR  21   6.644  -3.310  -3.494
    6   HG21  THR  21          HG22      THR  21   6.587  -3.782  -1.795
    7   HG23  THR  21          HG23      THR  21   8.132  -3.728  -2.644

  No H/Q in entry =           7
  In of MODEL   25
    1    H    CYS  22           H        CYS  22   4.493   0.231  -1.527
    2    HA   CYS  22           HA       CYS  22   2.479  -1.887  -1.851
    3    HB2  CYS  22           HB2      CYS  22   0.854   0.084  -1.625
    4    HB3  CYS  22           HB3      CYS  22   1.722  -0.416  -0.181

  No H/Q in entry =           4
  In of MODEL   25
    1    H    TRP  23           H        TRP  23   4.383  -1.143  -3.921
    2    HA   TRP  23           HA       TRP  23   2.608  -0.985  -6.100
    3    HB2  TRP  23           HB2      TRP  23   2.971   1.482  -5.014
    4    HB3  TRP  23           HB3      TRP  23   4.259   1.452  -6.213
    5    HD1  TRP  23           HD1      TRP  23   1.918  -0.564  -7.896
    6    HE1  TRP  23           HE1      TRP  23   0.342   0.776  -9.427
    7    HE3  TRP  23           HE3      TRP  23   2.687   4.098  -5.965
    8    HZ2  TRP  23           HZ2      TRP  23  -0.469   3.451  -9.762
    9    HZ3  TRP  23           HZ3      TRP  23   1.479   5.999  -6.954
   10    HH2  TRP  23           HH2      TRP  23  -0.063   5.678  -8.817

  No H/Q in entry =          10
  In of MODEL   25
    1    H    LYS  24           H        LYS  24   5.812   0.455  -5.628
    2    HA   LYS  24           HA       LYS  24   7.838   0.013  -6.560
    3    HB2  LYS  24           HB2      LYS  24   7.360  -2.217  -5.447
    4    HB3  LYS  24           HB3      LYS  24   6.827  -2.792  -7.021
    5    HG2  LYS  24           HG2      LYS  24   9.234  -1.801  -7.685
    6    HG3  LYS  24           HG3      LYS  24   9.543  -2.270  -6.012
    7    HD2  LYS  24           HD2      LYS  24  10.067  -4.212  -7.143
    8    HD3  LYS  24           HD3      LYS  24   8.379  -4.496  -6.716
    9    HE2  LYS  24           HE2      LYS  24   8.924  -3.144  -9.298
   10    HE3  LYS  24           HE3      LYS  24   9.322  -4.858  -9.184
   11    HZ1  LYS  24           HZ1      LYS  24   6.962  -5.079  -8.246
   12    HZ3  LYS  24           HZ2      LYS  24   7.140  -4.850  -9.912
   13    HZ2  LYS  24           HZ3      LYS  24   6.690  -3.553  -8.925

  No H/Q in entry =          13
  In of MODEL   25
    1    H    THR  25           H        THR  25   5.492   0.814  -8.208
    2    HA   THR  25           HA       THR  25   5.480  -0.431 -10.703
    3    HB   THR  25           HB       THR  25   5.067   2.528 -10.243
    4    HG1  THR  25           HG1      THR  25   3.164   0.453  -9.948
    5   HG22  THR  25          HG21      THR  25   3.447   0.838 -12.077
    6   HG21  THR  25          HG22      THR  25   5.017   1.445 -12.602
    7   HG23  THR  25          HG23      THR  25   3.753   2.574 -12.115

  No H/Q in entry =           7
  In of MODEL   25
    1    H    SER  26           H        SER  26   6.792  -0.386 -12.429
    2    HA   SER  26           HA       SER  26   9.441   0.294 -12.303
    3    HB2  SER  26           HB2      SER  26   7.577   0.038 -14.653
    4    HB3  SER  26           HB3      SER  26   9.286   0.409 -14.878
    5    HG   SER  26           HG       SER  26   8.071  -1.948 -14.143

  No H/Q in entry =           5
  In of MODEL   25
    1    H    VAL  27           H        VAL  27   6.740   2.381 -12.958
    2    HA   VAL  27           HA       VAL  27   8.502   4.573 -13.754
    3    HB   VAL  27           HB       VAL  27   6.461   4.224 -15.075
    4   HG11  VAL  27          HG11      VAL  27   5.112   4.648 -12.426
    5   HG13  VAL  27          HG12      VAL  27   4.899   3.328 -13.576
    6   HG12  VAL  27          HG13      VAL  27   4.277   4.935 -13.953
    7   HG21  VAL  27          HG21      VAL  27   7.487   6.503 -14.692
    8   HG23  VAL  27          HG22      VAL  27   6.200   6.788 -13.521
    9   HG22  VAL  27          HG23      VAL  27   5.802   6.493 -15.214

  No H/Q in entry =           9
  In of MODEL   25
    1    H    SER  28           H        SER  28   6.734   3.416 -11.015
    2    HA   SER  28           HA       SER  28   7.777   5.562  -9.400
    3    HB2  SER  28           HB2      SER  28   5.437   6.192 -10.513
    4    HB3  SER  28           HB3      SER  28   4.824   5.265  -9.144
    5    HG   SER  28           HG       SER  28   6.378   6.695  -7.906

  No H/Q in entry =           5
  In of MODEL   25
    1    H    SER  29           H        SER  29   8.646   4.406  -7.804
    2    HA   SER  29           HA       SER  29   7.200   2.082  -6.750
    3    HB2  SER  29           HB2      SER  29  10.018   2.970  -6.089
    4    HB3  SER  29           HB3      SER  29   9.282   1.406  -5.740
    5    HG   SER  29           HG       SER  29   9.697   0.784  -7.707

  No H/Q in entry =           5
  In of MODEL   25
    1    H    HIS  30           H        HIS  30   6.310   2.067  -4.752
    2    HA   HIS  30           HA       HIS  30   6.915   4.312  -2.951
    3    HB2  HIS  30           HB2      HIS  30   4.142   3.249  -3.502
    4    HB3  HIS  30           HB3      HIS  30   4.558   4.591  -2.440
    5    HD1  HIS  30           HD1      HIS  30   3.858   6.696  -3.518
    6    HD2  HIS  30           HD2      HIS  30   5.375   3.989  -6.278
    7    HE1  HIS  30           HE1      HIS  30   3.783   7.881  -5.735
    8    HE2  HIS  30           HE2      HIS  30   4.539   6.161  -7.403

  No H/Q in entry =           8
  In of MODEL   25
    1    H    TYR  31           H        TYR  31   5.840   3.889  -0.728
    2    HA   TYR  31           HA       TYR  31   6.059   1.040  -0.036
    3    HB2  TYR  31           HB2      TYR  31   7.733   3.238   0.848
    4    HB3  TYR  31           HB3      TYR  31   6.964   2.430   2.209
    5    HD1  TYR  31           HD1      TYR  31   8.584   1.117   3.221
    6    HD2  TYR  31           HD2      TYR  31   8.260   1.077  -1.020
    7    HE1  TYR  31           HE1      TYR  31  10.269  -0.670   3.114
    8    HE2  TYR  31           HE2      TYR  31   9.941  -0.712  -1.140
    9    HH   TYR  31           HH       TYR  31  10.782  -2.610   1.277

  No H/Q in entry =           9
  In of MODEL   25
    1    H    CYS  32           H        CYS  32   4.594   0.264   1.407
    2    HA   CYS  32           HA       CYS  32   2.313   1.902   1.990
    3    HB2  CYS  32           HB2      CYS  32   2.510  -0.704   1.522
    4    HB3  CYS  32           HB3      CYS  32   2.694  -0.769   3.269

  No H/Q in entry =           4
  In of MODEL   25
    1    H    THR  33           H        THR  33   1.591   2.614   3.981
    2    HA   THR  33           HA       THR  33   3.655   2.748   6.059
    3    HB   THR  33           HB       THR  33   2.584   4.713   6.866
    4    HG1  THR  33           HG1      THR  33   0.433   3.992   5.172
    5   HG22  THR  33          HG21      THR  33   2.293   4.891   3.881
    6   HG21  THR  33          HG22      THR  33   3.826   5.031   4.741
    7   HG23  THR  33          HG23      THR  33   2.549   6.215   5.018

  No H/Q in entry =           7
  In of MODEL   25
    1    H    GLY  34           H        GLY  34   1.584   0.548   5.453
    2    HA3  GLY  34           HA2      GLY  34   0.147  -0.825   6.623
    3    HA2  GLY  34           HA3      GLY  34   1.249  -0.503   7.951

  No H/Q in entry =           3
  In of MODEL   25
    1    H    ARG  35           H        ARG  35  -0.810   1.905   6.413
    2    HA   ARG  35           HA       ARG  35  -2.347   2.073   8.921
    3    HB2  ARG  35           HB2      ARG  35  -0.700   3.996   8.065
    4    HB3  ARG  35           HB3      ARG  35  -2.133   4.453   7.156
    5    HG2  ARG  35           HG2      ARG  35  -3.371   4.876   9.085
    6    HG3  ARG  35           HG3      ARG  35  -2.258   3.965  10.108
    7    HD2  ARG  35           HD2      ARG  35  -0.532   5.666   9.722
    8    HD3  ARG  35           HD3      ARG  35  -1.663   6.579   8.725
    9    HE   ARG  35           HE       ARG  35  -2.660   7.361  10.631
   10   HH11  ARG  35          HH11      ARG  35  -0.652   4.626  11.449
   11   HH12  ARG  35          HH12      ARG  35  -0.836   4.843  13.157
   12   HH21  ARG  35          HH21      ARG  35  -2.903   7.648  12.877
   13   HH22  ARG  35          HH22      ARG  35  -2.115   6.558  13.968

  No H/Q in entry =          13
  In of MODEL   25
    1    H    SER  36           H        SER  36  -2.456   2.434   5.416
    2    HA   SER  36           HA       SER  36  -5.311   1.785   5.498
    3    HB2  SER  36           HB2      SER  36  -5.287   4.195   5.291
    4    HB3  SER  36           HB3      SER  36  -4.107   4.112   3.983
    5    HG   SER  36           HG       SER  36  -6.162   4.377   3.116

  No H/Q in entry =           5
  In of MODEL   25
    1    H    CYS  37           H        CYS  37  -6.110   1.401   3.153
    2    HA   CYS  37           HA       CYS  37  -4.197  -0.432   1.926
    3    HB2  CYS  37           HB2      CYS  37  -7.170  -0.141   1.875
    4    HB3  CYS  37           HB3      CYS  37  -6.377  -0.951   0.530

  No H/Q in entry =           4
  In of MODEL   25
    1    H    GLU  38           H        GLU  38  -4.585   2.691   1.619
    2    HA   GLU  38           HA       GLU  38  -4.567   2.710  -1.323
    3    HB2  GLU  38           HB2      GLU  38  -4.913   5.118   0.457
    4    HB3  GLU  38           HB3      GLU  38  -5.265   4.982  -1.260
    5    HG2  GLU  38           HG2      GLU  38  -7.189   3.705  -0.880
    6    HG3  GLU  38           HG3      GLU  38  -6.726   3.347   0.783

  No H/Q in entry =           6
  In of MODEL   25
    1    H    CYS  39           H        CYS  39  -2.480   2.387  -1.883
    2    HA   CYS  39           HA       CYS  39  -0.217   3.221  -0.489
    3    HB2  CYS  39           HB2      CYS  39  -0.280   1.539  -2.346
    4    HB3  CYS  39           HB3      CYS  39  -0.428   2.872  -3.485

  No H/Q in entry =           4
  In of MODEL   25
    1    HA   PRO  40           HA       PRO  40  -0.713   7.691  -0.967
    2    HB2  PRO  40           HB2      PRO  40   2.143   7.475  -0.116
    3    HB3  PRO  40           HB3      PRO  40   0.871   8.551   0.475
    4    HG2  PRO  40           HG2      PRO  40   1.609   6.428   1.895
    5    HG3  PRO  40           HG3      PRO  40  -0.096   6.903   1.791
    6    HD2  PRO  40           HD2      PRO  40   1.329   4.650   0.461
    7    HD3  PRO  40           HD3      PRO  40  -0.346   4.745   1.038

  No H/Q in entry =           7
  In of MODEL   25
    1    H    SER  41           H        SER  41   0.763   9.421  -1.985
    2    HA   SER  41           HA       SER  41   1.675   8.371  -4.558
    3    HB2  SER  41           HB2      SER  41   1.759  11.036  -4.918
    4    HB3  SER  41           HB3      SER  41   0.285  10.091  -5.126
    5    HG   SER  41           HG       SER  41   1.061  11.724  -2.968

  No H/Q in entry =           5
  In of MODEL   25
    1    H    TYR  42           H        TYR  42   3.277   8.200  -2.076
    2    HA   TYR  42           HA       TYR  42   5.738   9.233  -3.189
    3    HB2  TYR  42           HB2      TYR  42   6.407  10.510  -1.261
    4    HB3  TYR  42           HB3      TYR  42   4.841  11.108  -1.797
    5    HD1  TYR  42           HD1      TYR  42   6.696   9.578   0.902
    6    HD2  TYR  42           HD2      TYR  42   2.789  10.499  -0.508
    7    HE1  TYR  42           HE1      TYR  42   5.805   9.238   3.168
    8    HE2  TYR  42           HE2      TYR  42   1.887  10.163   1.755
    9    HH   TYR  42           HH       TYR  42   3.352  10.311   4.361

  No H/Q in entry =           9
  In of MODEL   25
    1    HA   PRO  43           HA       PRO  43   7.190   5.472  -1.374
    2    HB2  PRO  43           HB2      PRO  43   9.850   5.886  -1.442
    3    HB3  PRO  43           HB3      PRO  43   8.902   5.638  -2.914
    4    HG2  PRO  43           HG2      PRO  43   9.880   8.197  -1.701
    5    HG3  PRO  43           HG3      PRO  43   9.901   7.687  -3.399
    6    HD2  PRO  43           HD2      PRO  43   8.016   9.361  -2.372
    7    HD3  PRO  43           HD3      PRO  43   7.698   8.259  -3.726

  No H/Q in entry =           7
  In of MODEL   25
    1    H    GLY  44           H        GLY  44   8.922   4.758   0.328
    2    HA3  GLY  44           HA2      GLY  44   8.171   5.940   2.805
    3    HA2  GLY  44           HA3      GLY  44   9.365   4.670   2.584

  No H/Q in entry =           3
  In of MODEL   25
    1    H    ASN  45           H        ASN  45  11.433   5.571   1.409
    2    HA   ASN  45           HA       ASN  45  12.502   7.567   3.172
    3    HB2  ASN  45           HB2      ASN  45  13.635   5.929   0.918
    4    HB3  ASN  45           HB3      ASN  45  14.565   7.237   1.644
    5   HD21  ASN  45          HD21      ASN  45  16.102   5.710   2.338
    6   HD22  ASN  45          HD22      ASN  45  15.811   4.710   3.716

  No H/Q in entry =           6
  In of MODEL   25
    1    H    GLY  46           H        GLY  46  11.309   9.443   2.679
    2    HA3  GLY  46           HA2      GLY  46  12.200  11.494   1.405
    3    HA2  GLY  46           HA3      GLY  46  11.738  10.562  -0.011

  No H/Q in entry =           3
  In of MODEL   26
    1    H1   ALA   1           H3       ALA   1 -21.647  -5.253   5.739
    2    H2   ALA   1           H2       ALA   1 -21.067  -6.865   5.633
    3    H3   ALA   1           H1       ALA   1 -22.164  -6.425   6.878
    4    HA   ALA   1           HA       ALA   1 -20.623  -5.221   8.010
    5    HB1  ALA   1           HB1      ALA   1 -18.888  -7.391   6.886
    6    HB2  ALA   1           HB2      ALA   1 -20.294  -7.763   7.884
    7    HB3  ALA   1           HB3      ALA   1 -18.980  -6.787   8.540

  No H/Q in entry =           7
  In of MODEL   26
    1    H    MET   2           H        MET   2 -18.046  -4.838   8.027
    2    HA   MET   2           HA       MET   2 -17.589  -2.731   6.237
    3    HB2  MET   2           HB2      MET   2 -16.494  -3.200   8.517
    4    HB3  MET   2           HB3      MET   2 -15.384  -4.235   7.628
    5    HG2  MET   2           HG2      MET   2 -14.425  -2.042   7.979
    6    HG3  MET   2           HG3      MET   2 -14.696  -2.337   6.262
    7    HE2  MET   2           HE1      MET   2 -17.388   0.201   8.948
    8    HE1  MET   2           HE2      MET   2 -16.636  -1.349   9.323
    9    HE3  MET   2           HE3      MET   2 -18.083  -1.292   8.316

  No H/Q in entry =           9
  In of MODEL   26
    1    H    ASP   3           H        ASP   3 -15.888  -2.535   4.625
    2    HA   ASP   3           HA       ASP   3 -15.893  -4.810   2.841
    3    HB2  ASP   3           HB2      ASP   3 -16.081  -2.219   2.303
    4    HB3  ASP   3           HB3      ASP   3 -14.325  -2.340   2.251

  No H/Q in entry =           4
  In of MODEL   26
    1    H    CYS   4           H        CYS   4 -13.802  -5.352   1.677
    2    HA   CYS   4           HA       CYS   4 -11.764  -5.866   3.704
    3    HB2  CYS   4           HB2      CYS   4 -12.786  -7.294   1.420
    4    HB3  CYS   4           HB3      CYS   4 -11.040  -7.122   1.289

  No H/Q in entry =           4
  In of MODEL   26
    1    H    THR   5           H        THR   5 -12.333  -3.524   1.451
    2    HA   THR   5           HA       THR   5 -11.059  -1.896   0.508
    3    HB   THR   5           HB       THR   5  -8.518  -2.567   1.779
    4    HG1  THR   5           HG1      THR   5  -9.340  -3.238   3.582
    5   HG22  THR   5          HG21      THR   5 -10.330  -0.221   2.263
    6   HG21  THR   5          HG22      THR   5  -9.175  -0.319   0.934
    7   HG23  THR   5          HG23      THR   5  -8.604  -0.342   2.603

  No H/Q in entry =           7
  In of MODEL   26
    1    H    THR   6           H        THR   6 -10.230  -1.829  -1.471
    2    HA   THR   6           HA       THR   6  -8.295  -3.890  -2.276
    3    HB   THR   6           HB       THR   6  -9.423  -4.034  -4.484
    4    HG1  THR   6           HG1      THR   6 -11.295  -2.353  -3.199
    5   HG22  THR   6          HG21      THR   6 -11.583  -4.654  -2.547
    6   HG21  THR   6          HG22      THR   6 -10.041  -5.495  -2.393
    7   HG23  THR   6          HG23      THR   6 -10.959  -5.605  -3.894

  No H/Q in entry =           7
  In of MODEL   26
    1    H    GLY   7           H        GLY   7  -6.528  -3.064  -3.206
    2    HA3  GLY   7           HA2      GLY   7  -6.466  -0.989  -5.074
    3    HA2  GLY   7           HA3      GLY   7  -6.179  -0.276  -3.495

  No H/Q in entry =           3
  In of MODEL   26
    1    HA   PRO   8           HA       PRO   8  -2.054  -1.607  -4.970
    2    HB2  PRO   8           HB2      PRO   8  -0.717   0.615  -4.309
    3    HB3  PRO   8           HB3      PRO   8  -1.728   0.547  -5.758
    4    HG2  PRO   8           HG2      PRO   8  -2.325   1.748  -3.084
    5    HG3  PRO   8           HG3      PRO   8  -2.681   2.380  -4.701
    6    HD2  PRO   8           HD2      PRO   8  -4.506   1.070  -3.104
    7    HD3  PRO   8           HD3      PRO   8  -4.613   1.174  -4.872

  No H/Q in entry =           7
  In of MODEL   26
    1    H    CYS   9           H        CYS   9  -2.693   0.162  -1.935
    2    HA   CYS   9           HA       CYS   9  -0.454  -0.957  -0.573
    3    HB2  CYS   9           HB2      CYS   9  -2.332   1.083  -0.081
    4    HB3  CYS   9           HB3      CYS   9  -2.504  -0.062   1.244

  No H/Q in entry =           4
  In of MODEL   26
    1    H    CYS  10           H        CYS  10  -3.955  -1.456  -0.063
    2    HA   CYS  10           HA       CYS  10  -3.585  -3.683   1.637
    3    HB2  CYS  10           HB2      CYS  10  -5.972  -4.008   1.478
    4    HB3  CYS  10           HB3      CYS  10  -5.638  -2.286   1.598

  No H/Q in entry =           4
  In of MODEL   26
    1    H    ARG  11           H        ARG  11  -3.025  -5.682   1.170
    2    HA   ARG  11           HA       ARG  11  -2.395  -6.609  -1.361
    3    HB2  ARG  11           HB2      ARG  11  -2.854  -7.893   1.283
    4    HB3  ARG  11           HB3      ARG  11  -2.810  -8.941  -0.128
    5    HG2  ARG  11           HG2      ARG  11  -0.594  -8.453  -0.585
    6    HG3  ARG  11           HG3      ARG  11  -0.631  -6.950   0.339
    7    HD2  ARG  11           HD2      ARG  11   0.629  -8.849   1.407
    8    HD3  ARG  11           HD3      ARG  11  -0.627  -8.115   2.403
    9    HE   ARG  11           HE       ARG  11  -1.707 -10.122   2.426
   10   HH11  ARG  11          HH11      ARG  11   0.517 -10.102  -0.264
   11   HH12  ARG  11          HH12      ARG  11   0.232 -11.760  -0.673
   12   HH21  ARG  11          HH21      ARG  11  -2.083 -12.303   1.889
   13   HH22  ARG  11          HH22      ARG  11  -1.244 -13.010   0.549

  No H/Q in entry =          13
  In of MODEL   26
    1    H    GLN  12           H        GLN  12  -4.978  -8.189   0.493
    2    HA   GLN  12           HA       GLN  12  -6.782  -7.929  -1.791
    3    HB2  GLN  12           HB2      GLN  12  -5.785 -10.526  -0.652
    4    HB3  GLN  12           HB3      GLN  12  -7.303 -10.422  -1.534
    5    HG2  GLN  12           HG2      GLN  12  -6.055  -9.495  -3.466
    6    HG3  GLN  12           HG3      GLN  12  -4.557  -9.772  -2.578
    7   HE21  GLN  12          HE21      GLN  12  -7.070 -11.175  -4.443
    8   HE22  GLN  12          HE22      GLN  12  -6.439 -12.782  -4.496

  No H/Q in entry =           8
  In of MODEL   26
    1    H    CYS  13           H        CYS  13  -6.449  -7.384   1.341
    2    HA   CYS  13           HA       CYS  13  -9.200  -7.228   1.866
    3    HB2  CYS  13           HB2      CYS  13  -7.924  -9.768   2.543
    4    HB3  CYS  13           HB3      CYS  13  -8.737  -9.018   3.912

  No H/Q in entry =           4
  In of MODEL   26
    1    H    LYS  14           H        LYS  14  -5.924  -7.362   3.149
    2    HA   LYS  14           HA       LYS  14  -6.720  -5.313   5.106
    3    HB2  LYS  14           HB2      LYS  14  -6.076  -7.797   5.890
    4    HB3  LYS  14           HB3      LYS  14  -4.461  -7.106   5.806
    5    HG2  LYS  14           HG2      LYS  14  -5.214  -6.842   8.031
    6    HG3  LYS  14           HG3      LYS  14  -5.284  -5.248   7.276
    7    HD2  LYS  14           HD2      LYS  14  -7.335  -5.286   8.286
    8    HD3  LYS  14           HD3      LYS  14  -7.758  -6.010   6.733
    9    HE2  LYS  14           HE2      LYS  14  -7.036  -8.215   8.086
   10    HE3  LYS  14           HE3      LYS  14  -7.614  -7.222   9.424
   11    HZ3  LYS  14           HZ1      LYS  14  -9.518  -8.285   8.755
   12    HZ2  LYS  14           HZ2      LYS  14  -9.103  -8.271   7.116
   13    HZ1  LYS  14           HZ3      LYS  14  -9.632  -6.850   7.865

  No H/Q in entry =          13
  In of MODEL   26
    1    H    LEU  15           H        LEU  15  -5.356  -3.598   5.344
    2    HA   LEU  15           HA       LEU  15  -3.761  -2.764   3.286
    3    HB2  LEU  15           HB2      LEU  15  -2.573  -1.337   5.111
    4    HB3  LEU  15           HB3      LEU  15  -4.254  -1.049   4.721
    5    HG   LEU  15           HG       LEU  15  -3.515  -1.062   7.194
    6   HD13  LEU  15          HD11      LEU  15  -5.685  -1.143   7.628
    7   HD12  LEU  15          HD12      LEU  15  -5.806  -2.828   7.123
    8   HD11  LEU  15          HD13      LEU  15  -5.917  -1.539   5.925
    9   HD23  LEU  15          HD21      LEU  15  -3.779  -4.033   6.751
   10   HD22  LEU  15          HD22      LEU  15  -3.595  -3.218   8.302
   11   HD21  LEU  15          HD23      LEU  15  -2.285  -3.175   7.124

  No H/Q in entry =          11
  In of MODEL   26
    1    H    LYS  16           H        LYS  16  -1.665  -2.987   2.653
    2    HA   LYS  16           HA       LYS  16  -0.256  -5.272   3.288
    3    HB2  LYS  16           HB2      LYS  16   0.300  -2.795   1.823
    4    HB3  LYS  16           HB3      LYS  16   1.740  -3.541   2.499
    5    HG2  LYS  16           HG2      LYS  16   1.350  -5.563   1.312
    6    HG3  LYS  16           HG3      LYS  16  -0.254  -5.027   0.809
    7    HD2  LYS  16           HD2      LYS  16   1.267  -3.012  -0.158
    8    HD3  LYS  16           HD3      LYS  16   2.400  -4.360  -0.284
    9    HE2  LYS  16           HE2      LYS  16   0.429  -5.616  -1.378
   10    HE3  LYS  16           HE3      LYS  16  -0.278  -4.014  -1.586
   11    HZ3  LYS  16           HZ1      LYS  16   0.867  -4.134  -3.513
   12    HZ2  LYS  16           HZ2      LYS  16   2.019  -5.218  -2.913
   13    HZ1  LYS  16           HZ3      LYS  16   2.140  -3.570  -2.551

  No H/Q in entry =          13
  In of MODEL   26
    1    HA   PRO  17           HA       PRO  17   1.515  -4.757   7.304
    2    HB2  PRO  17           HB2      PRO  17   3.981  -5.859   6.039
    3    HB3  PRO  17           HB3      PRO  17   3.142  -6.374   7.507
    4    HG2  PRO  17           HG2      PRO  17   2.924  -7.772   5.249
    5    HG3  PRO  17           HG3      PRO  17   1.536  -7.560   6.332
    6    HD2  PRO  17           HD2      PRO  17   2.118  -6.259   3.716
    7    HD3  PRO  17           HD3      PRO  17   0.559  -6.718   4.429

  No H/Q in entry =           7
  In of MODEL   26
    1    H    ALA  18           H        ALA  18   2.341  -2.985   8.216
    2    HA   ALA  18           HA       ALA  18   3.379  -0.812   6.915
    3    HB1  ALA  18           HB1      ALA  18   4.433  -0.247   9.185
    4    HB2  ALA  18           HB2      ALA  18   3.710  -1.756   9.743
    5    HB3  ALA  18           HB3      ALA  18   2.684  -0.465   9.118

  No H/Q in entry =           5
  In of MODEL   26
    1    H    GLY  19           H        GLY  19   5.035  -0.881   5.529
    2    HA3  GLY  19           HA2      GLY  19   7.480  -0.618   5.472
    3    HA2  GLY  19           HA3      GLY  19   7.574  -2.046   6.493

  No H/Q in entry =           3
  In of MODEL   26
    1    H    THR  20           H        THR  20   5.270  -1.920   3.903
    2    HA   THR  20           HA       THR  20   6.984  -3.673   2.280
    3    HB   THR  20           HB       THR  20   4.005  -4.028   2.367
    4    HG1  THR  20           HG1      THR  20   4.087  -4.937   4.244
    5   HG23  THR  20          HG21      THR  20   4.358  -5.851   1.163
    6   HG22  THR  20          HG22      THR  20   5.642  -6.402   2.239
    7   HG21  THR  20          HG23      THR  20   6.009  -5.275   0.933

  No H/Q in entry =           7
  In of MODEL   26
    1    H    THR  21           H        THR  21   7.111  -3.160   0.173
    2    HA   THR  21           HA       THR  21   6.329  -0.697  -0.785
    3    HB   THR  21           HB       THR  21   6.460  -2.524  -2.986
    4    HG1  THR  21           HG1      THR  21   8.197  -3.713  -2.496
    5   HG21  THR  21          HG21      THR  21   8.017  -0.282  -1.894
    6   HG23  THR  21          HG22      THR  21   7.442  -0.582  -3.535
    7   HG22  THR  21          HG23      THR  21   8.885  -1.406  -2.941

  No H/Q in entry =           7
  In of MODEL   26
    1    H    CYS  22           H        CYS  22   4.397   0.125  -1.165
    2    HA   CYS  22           HA       CYS  22   2.177  -1.673  -1.791
    3    HB2  CYS  22           HB2      CYS  22   0.742   0.309  -1.332
    4    HB3  CYS  22           HB3      CYS  22   1.742  -0.156   0.039

  No H/Q in entry =           4
  In of MODEL   26
    1    H    TRP  23           H        TRP  23   4.322  -0.764  -3.709
    2    HA   TRP  23           HA       TRP  23   2.623  -0.389  -5.937
    3    HB2  TRP  23           HB2      TRP  23   3.141   1.975  -4.629
    4    HB3  TRP  23           HB3      TRP  23   4.378   1.956  -5.882
    5    HD1  TRP  23           HD1      TRP  23   1.774   0.190  -7.516
    6    HE1  TRP  23           HE1      TRP  23   0.246   1.718  -8.912
    7    HE3  TRP  23           HE3      TRP  23   3.092   4.692  -5.506
    8    HZ2  TRP  23           HZ2      TRP  23  -0.320   4.469  -9.129
    9    HZ3  TRP  23           HZ3      TRP  23   2.017   6.729  -6.369
   10    HH2  TRP  23           HH2      TRP  23   0.349   6.617  -8.146

  No H/Q in entry =          10
  In of MODEL   26
    1    H    LYS  24           H        LYS  24   5.873   0.855  -5.273
    2    HA   LYS  24           HA       LYS  24   7.905   0.374  -6.176
    3    HB2  LYS  24           HB2      LYS  24   6.900  -2.005  -5.372
    4    HB3  LYS  24           HB3      LYS  24   7.125  -2.327  -7.085
    5    HG2  LYS  24           HG2      LYS  24   9.232  -1.432  -5.131
    6    HG3  LYS  24           HG3      LYS  24   9.073  -3.030  -5.863
    7    HD2  LYS  24           HD2      LYS  24   9.570  -2.155  -8.036
    8    HD3  LYS  24           HD3      LYS  24   9.505  -0.496  -7.438
    9    HE2  LYS  24           HE2      LYS  24  11.456  -2.492  -6.334
   10    HE3  LYS  24           HE3      LYS  24  11.812  -1.565  -7.791
   11    HZ3  LYS  24           HZ1      LYS  24  12.707  -0.262  -6.140
   12    HZ2  LYS  24           HZ2      LYS  24  11.487  -0.618  -5.024
   13    HZ1  LYS  24           HZ3      LYS  24  11.175   0.437  -6.309

  No H/Q in entry =          13
  In of MODEL   26
    1    H    THR  25           H        THR  25   5.632   1.358  -7.847
    2    HA   THR  25           HA       THR  25   5.680   0.252 -10.411
    3    HB   THR  25           HB       THR  25   5.216   3.135  -9.608
    4    HG1  THR  25           HG1      THR  25   3.834   1.409  -8.707
    5   HG21  THR  25          HG21      THR  25   5.529   2.297 -12.159
    6   HG23  THR  25          HG22      THR  25   4.507   3.645 -11.660
    7   HG22  THR  25          HG23      THR  25   3.798   2.052 -11.925

  No H/Q in entry =           7
  In of MODEL   26
    1    H    SER  26           H        SER  26   6.894   0.640 -12.232
    2    HA   SER  26           HA       SER  26   9.593   1.008 -12.046
    3    HB2  SER  26           HB2      SER  26   8.294   0.181 -14.050
    4    HB3  SER  26           HB3      SER  26   7.989   1.869 -14.458
    5    HG   SER  26           HG       SER  26  10.306   2.136 -14.481

  No H/Q in entry =           5
  In of MODEL   26
    1    H    VAL  27           H        VAL  27   7.139   3.474 -12.147
    2    HA   VAL  27           HA       VAL  27   9.230   5.544 -12.261
    3    HB   VAL  27           HB       VAL  27   7.543   5.714 -14.043
    4   HG12  VAL  27          HG11      VAL  27   5.228   6.332 -13.477
    5   HG11  VAL  27          HG12      VAL  27   5.590   6.069 -11.770
    6   HG13  VAL  27          HG13      VAL  27   5.648   4.718 -12.904
    7   HG21  VAL  27          HG21      VAL  27   8.638   7.734 -13.140
    8   HG23  VAL  27          HG22      VAL  27   7.294   7.936 -12.016
    9   HG22  VAL  27          HG23      VAL  27   7.017   8.060 -13.754

  No H/Q in entry =           9
  In of MODEL   26
    1    H    SER  28           H        SER  28   6.918   4.061 -10.214
    2    HA   SER  28           HA       SER  28   7.513   6.035  -8.149
    3    HB2  SER  28           HB2      SER  28   5.053   6.012  -9.522
    4    HB3  SER  28           HB3      SER  28   4.732   5.314  -7.934
    5    HG   SER  28           HG       SER  28   4.610   7.682  -8.127

  No H/Q in entry =           5
  In of MODEL   26
    1    H    SER  29           H        SER  29   8.533   4.745  -6.735
    2    HA   SER  29           HA       SER  29   7.256   2.194  -6.000
    3    HB2  SER  29           HB2      SER  29  10.087   3.012  -5.325
    4    HB3  SER  29           HB3      SER  29   9.387   1.394  -5.298
    5    HG   SER  29           HG       SER  29   9.082   1.753  -7.650

  No H/Q in entry =           5
  In of MODEL   26
    1    H    HIS  30           H        HIS  30   5.990   2.427  -4.277
    2    HA   HIS  30           HA       HIS  30   6.943   4.111  -2.056
    3    HB2  HIS  30           HB2      HIS  30   4.059   3.642  -2.824
    4    HB3  HIS  30           HB3      HIS  30   4.669   4.776  -1.619
    5    HD1  HIS  30           HD1      HIS  30   4.264   7.046  -2.547
    6    HD2  HIS  30           HD2      HIS  30   5.702   4.421  -5.426
    7    HE1  HIS  30           HE1      HIS  30   4.600   8.434  -4.619
    8    HE2  HIS  30           HE2      HIS  30   5.643   6.862  -6.279

  No H/Q in entry =           8
  In of MODEL   26
    1    H    TYR  31           H        TYR  31   5.962   3.535   0.069
    2    HA   TYR  31           HA       TYR  31   5.622   0.618   0.306
    3    HB2  TYR  31           HB2      TYR  31   7.214   2.557   1.935
    4    HB3  TYR  31           HB3      TYR  31   6.551   1.124   2.713
    5    HD1  TYR  31           HD1      TYR  31   8.887   2.330   0.133
    6    HD2  TYR  31           HD2      TYR  31   7.469  -1.049   2.295
    7    HE1  TYR  31           HE1      TYR  31  10.797   1.014  -0.684
    8    HE2  TYR  31           HE2      TYR  31   9.376  -2.374   1.485
    9    HH   TYR  31           HH       TYR  31  11.263  -1.515  -1.064

  No H/Q in entry =           9
  In of MODEL   26
    1    H    CYS  32           H        CYS  32   4.281  -0.141   2.041
    2    HA   CYS  32           HA       CYS  32   2.026   1.633   2.515
    3    HB2  CYS  32           HB2      CYS  32   2.048  -0.945   1.824
    4    HB3  CYS  32           HB3      CYS  32   2.075  -1.151   3.571

  No H/Q in entry =           4
  In of MODEL   26
    1    H    THR  33           H        THR  33   1.025   1.693   4.670
    2    HA   THR  33           HA       THR  33   3.064   1.649   6.796
    3    HB   THR  33           HB       THR  33   2.134   3.587   7.753
    4    HG1  THR  33           HG1      THR  33   0.124   4.336   7.308
    5   HG23  THR  33          HG21      THR  33   2.067   5.275   6.049
    6   HG22  THR  33          HG22      THR  33   1.797   4.058   4.802
    7   HG21  THR  33          HG23      THR  33   3.334   4.110   5.666

  No H/Q in entry =           7
  In of MODEL   26
    1    H    GLY  34           H        GLY  34   0.940  -0.343   5.819
    2    HA3  GLY  34           HA2      GLY  34  -0.630  -1.768   6.726
    3    HA2  GLY  34           HA3      GLY  34   0.387  -1.653   8.154

  No H/Q in entry =           3
  In of MODEL   26
    1    H    ARG  35           H        ARG  35  -1.615   0.861   6.653
    2    HA   ARG  35           HA       ARG  35  -3.271   0.875   9.085
    3    HB2  ARG  35           HB2      ARG  35  -1.475   2.803   8.586
    4    HB3  ARG  35           HB3      ARG  35  -2.832   3.443   7.669
    5    HG2  ARG  35           HG2      ARG  35  -2.876   2.715  10.590
    6    HG3  ARG  35           HG3      ARG  35  -2.762   4.348   9.931
    7    HD2  ARG  35           HD2      ARG  35  -4.954   3.548   8.649
    8    HD3  ARG  35           HD3      ARG  35  -5.080   2.501  10.062
    9    HE   ARG  35           HE       ARG  35  -5.659   4.326  11.302
   10   HH11  ARG  35          HH11      ARG  35  -4.118   5.428   8.372
   11   HH12  ARG  35          HH12      ARG  35  -4.446   7.100   8.679
   12   HH21  ARG  35          HH21      ARG  35  -6.092   6.525  11.709
   13   HH22  ARG  35          HH22      ARG  35  -5.566   7.724  10.574

  No H/Q in entry =          13
  In of MODEL   26
    1    H    SER  36           H        SER  36  -3.085   1.771   5.668
    2    HA   SER  36           HA       SER  36  -5.908   1.099   5.385
    3    HB2  SER  36           HB2      SER  36  -4.744   3.818   4.934
    4    HB3  SER  36           HB3      SER  36  -6.054   3.265   3.891
    5    HG   SER  36           HG       SER  36  -7.384   3.629   5.465

  No H/Q in entry =           5
  In of MODEL   26
    1    H    CYS  37           H        CYS  37  -6.557   1.216   3.001
    2    HA   CYS  37           HA       CYS  37  -4.610  -0.294   1.506
    3    HB2  CYS  37           HB2      CYS  37  -6.978  -0.934   1.479
    4    HB3  CYS  37           HB3      CYS  37  -7.396   0.615   0.758

  No H/Q in entry =           4
  In of MODEL   26
    1    H    GLU  38           H        GLU  38  -5.139   2.966   1.900
    2    HA   GLU  38           HA       GLU  38  -4.669   3.776  -0.830
    3    HB2  GLU  38           HB2      GLU  38  -4.495   5.524   1.619
    4    HB3  GLU  38           HB3      GLU  38  -4.824   6.013  -0.037
    5    HG2  GLU  38           HG2      GLU  38  -6.960   4.751   0.078
    6    HG3  GLU  38           HG3      GLU  38  -6.635   4.447   1.784

  No H/Q in entry =           6
  In of MODEL   26
    1    H    CYS  39           H        CYS  39  -2.710   3.306  -1.626
    2    HA   CYS  39           HA       CYS  39  -0.329   3.338  -0.034
    3    HB2  CYS  39           HB2      CYS  39  -0.487   1.784  -1.883
    4    HB3  CYS  39           HB3      CYS  39  -0.765   3.099  -3.020

  No H/Q in entry =           4
  In of MODEL   26
    1    HA   PRO  40           HA       PRO  40   0.392   7.752  -0.003
    2    HB2  PRO  40           HB2      PRO  40   3.202   6.719  -0.101
    3    HB3  PRO  40           HB3      PRO  40   2.507   7.987   0.918
    4    HG2  PRO  40           HG2      PRO  40   2.943   5.547   1.894
    5    HG3  PRO  40           HG3      PRO  40   1.499   6.470   2.351
    6    HD2  PRO  40           HD2      PRO  40   1.749   4.115   0.566
    7    HD3  PRO  40           HD3      PRO  40   0.372   4.649   1.548

  No H/Q in entry =           7
  In of MODEL   26
    1    H    SER  41           H        SER  41   0.855   9.304  -1.501
    2    HA   SER  41           HA       SER  41   1.561   8.352  -4.174
    3    HB2  SER  41           HB2      SER  41   0.450  11.031  -3.303
    4    HB3  SER  41           HB3      SER  41   0.670  10.494  -4.968
    5    HG   SER  41           HG       SER  41  -0.769   8.690  -4.322

  No H/Q in entry =           5
  In of MODEL   26
    1    H    TYR  42           H        TYR  42   3.533   8.790  -1.977
    2    HA   TYR  42           HA       TYR  42   5.334  10.526  -3.499
    3    HB2  TYR  42           HB2      TYR  42   6.140  11.634  -1.507
    4    HB3  TYR  42           HB3      TYR  42   4.394  11.837  -1.600
    5    HD1  TYR  42           HD1      TYR  42   7.071   9.875   0.059
    6    HD2  TYR  42           HD2      TYR  42   3.004  11.120   0.161
    7    HE1  TYR  42           HE1      TYR  42   6.855   8.961   2.331
    8    HE2  TYR  42           HE2      TYR  42   2.777  10.210   2.434
    9    HH   TYR  42           HH       TYR  42   5.441   9.275   4.316

  No H/Q in entry =           9
  In of MODEL   26
    1    HA   PRO  43           HA       PRO  43   8.121   7.143  -2.919
    2    HB2  PRO  43           HB2      PRO  43  10.486   8.384  -3.351
    3    HB3  PRO  43           HB3      PRO  43   9.338   8.047  -4.652
    4    HG2  PRO  43           HG2      PRO  43   9.801  10.596  -3.148
    5    HG3  PRO  43           HG3      PRO  43   9.568  10.352  -4.889
    6    HD2  PRO  43           HD2      PRO  43   7.579  11.193  -3.250
    7    HD3  PRO  43           HD3      PRO  43   7.278  10.197  -4.688

  No H/Q in entry =           7
  In of MODEL   26
    1    H    GLY  44           H        GLY  44   9.172   6.184  -1.260
    2    HA3  GLY  44           HA2      GLY  44   9.295   7.489   1.261
    3    HA2  GLY  44           HA3      GLY  44   9.919   5.888   0.895

  No H/Q in entry =           3
  In of MODEL   26
    1    H    ASN  45           H        ASN  45  11.745   6.660  -1.145
    2    HA   ASN  45           HA       ASN  45  13.813   7.862   0.544
    3    HB2  ASN  45           HB2      ASN  45  14.128   6.402  -2.087
    4    HB3  ASN  45           HB3      ASN  45  15.419   6.871  -0.984
    5   HD21  ASN  45          HD21      ASN  45  12.756   4.701  -1.528
    6   HD22  ASN  45          HD22      ASN  45  13.184   3.551  -0.312

  No H/Q in entry =           6
  In of MODEL   26
    1    H    GLY  46           H        GLY  46  11.828   9.553  -0.630
    2    HA3  GLY  46           HA2      GLY  46  11.696  11.564  -1.729
    3    HA2  GLY  46           HA3      GLY  46  13.452  11.592  -1.672

  No H/Q in entry =           3
  In of MODEL   27
    1    H1   ALA   1           H3       ALA   1 -14.736  -8.211   4.950
    2    H2   ALA   1           H2       ALA   1 -14.716  -9.769   4.231
    3    H3   ALA   1           H1       ALA   1 -14.792  -8.367   3.244
    4    HA   ALA   1           HA       ALA   1 -16.912  -9.192   3.253
    5    HB1  ALA   1           HB1      ALA   1 -16.382  -9.704   6.154
    6    HB3  ALA   1           HB2      ALA   1 -16.937 -10.820   4.905
    7    HB2  ALA   1           HB3      ALA   1 -18.034  -9.596   5.544

  No H/Q in entry =           7
  In of MODEL   27
    1    H    MET   2           H        MET   2 -16.513  -7.516   6.367
    2    HA   MET   2           HA       MET   2 -18.546  -5.642   5.868
    3    HB2  MET   2           HB2      MET   2 -17.581  -4.409   7.808
    4    HB3  MET   2           HB3      MET   2 -17.872  -6.113   8.129
    5    HG2  MET   2           HG2      MET   2 -15.805  -6.057   8.976
    6    HG3  MET   2           HG3      MET   2 -15.311  -6.207   7.291
    7    HE2  MET   2           HE1      MET   2 -14.070  -3.727  10.319
    8    HE1  MET   2           HE2      MET   2 -15.684  -4.437  10.346
    9    HE3  MET   2           HE3      MET   2 -15.484  -2.710  10.046

  No H/Q in entry =           9
  In of MODEL   27
    1    H    ASP   3           H        ASP   3 -15.050  -5.500   5.400
    2    HA   ASP   3           HA       ASP   3 -15.241  -3.584   3.334
    3    HB2  ASP   3           HB2      ASP   3 -15.583  -2.300   5.637
    4    HB3  ASP   3           HB3      ASP   3 -13.824  -2.377   5.665

  No H/Q in entry =           4
  In of MODEL   27
    1    H    CYS   4           H        CYS   4 -13.523  -3.859   2.065
    2    HA   CYS   4           HA       CYS   4 -11.155  -5.173   3.212
    3    HB2  CYS   4           HB2      CYS   4 -12.439  -5.251   0.508
    4    HB3  CYS   4           HB3      CYS   4 -10.716  -5.581   0.654

  No H/Q in entry =           4
  In of MODEL   27
    1    H    THR   5           H        THR   5 -12.244  -2.438   1.312
    2    HA   THR   5           HA       THR   5 -11.231  -0.478   0.745
    3    HB   THR   5           HB       THR   5  -8.792  -1.077   2.346
    4    HG1  THR   5           HG1      THR   5 -11.294  -0.519   3.553
    5   HG23  THR   5          HG21      THR   5  -8.766   1.150   2.844
    6   HG22  THR   5          HG22      THR   5 -10.516   1.318   2.698
    7   HG21  THR   5          HG23      THR   5  -9.519   1.182   1.249

  No H/Q in entry =           7
  In of MODEL   27
    1    H    THR   6           H        THR   6 -11.046  -2.011  -1.242
    2    HA   THR   6           HA       THR   6  -8.602  -3.098  -2.029
    3    HB   THR   6           HB       THR   6  -9.491  -2.774  -4.380
    4    HG1  THR   6           HG1      THR   6 -11.804  -1.831  -3.051
    5   HG21  THR   6          HG21      THR   6 -10.145  -4.663  -2.637
    6   HG23  THR   6          HG22      THR   6 -10.870  -4.557  -4.242
    7   HG22  THR   6          HG23      THR   6 -11.734  -3.926  -2.841

  No H/Q in entry =           7
  In of MODEL   27
    1    H    GLY   7           H        GLY   7  -6.716  -2.224  -2.544
    2    HA3  GLY   7           HA2      GLY   7  -6.416   0.120  -4.101
    3    HA2  GLY   7           HA3      GLY   7  -6.162   0.503  -2.405

  No H/Q in entry =           3
  In of MODEL   27
    1    HA   PRO   8           HA       PRO   8  -2.291  -1.234  -4.725
    2    HB2  PRO   8           HB2      PRO   8  -0.818   1.067  -4.100
    3    HB3  PRO   8           HB3      PRO   8  -1.476   0.647  -5.682
    4    HG2  PRO   8           HG2      PRO   8  -2.550   2.491  -3.610
    5    HG3  PRO   8           HG3      PRO   8  -2.643   2.602  -5.375
    6    HD2  PRO   8           HD2      PRO   8  -4.756   1.863  -3.889
    7    HD3  PRO   8           HD3      PRO   8  -4.456   1.168  -5.496

  No H/Q in entry =           7
  In of MODEL   27
    1    H    CYS   9           H        CYS   9  -2.964   0.430  -1.702
    2    HA   CYS   9           HA       CYS   9  -0.623  -0.696  -0.404
    3    HB2  CYS   9           HB2      CYS   9  -2.366   1.497   0.107
    4    HB3  CYS   9           HB3      CYS   9  -2.448   0.416   1.491

  No H/Q in entry =           4
  In of MODEL   27
    1    H    CYS  10           H        CYS  10  -3.798  -1.660  -1.062
    2    HA   CYS  10           HA       CYS  10  -3.978  -3.432   1.251
    3    HB2  CYS  10           HB2      CYS  10  -5.869  -2.073  -0.296
    4    HB3  CYS  10           HB3      CYS  10  -6.066  -3.761  -0.738

  No H/Q in entry =           4
  In of MODEL   27
    1    H    ARG  11           H        ARG  11  -3.157  -5.421   1.155
    2    HA   ARG  11           HA       ARG  11  -2.022  -6.544  -1.139
    3    HB2  ARG  11           HB2      ARG  11  -1.301  -7.236   1.057
    4    HB3  ARG  11           HB3      ARG  11  -2.904  -7.846   1.441
    5    HG2  ARG  11           HG2      ARG  11  -2.108  -9.169  -0.904
    6    HG3  ARG  11           HG3      ARG  11  -0.708  -9.173   0.170
    7    HD2  ARG  11           HD2      ARG  11  -3.486 -10.139   0.836
    8    HD3  ARG  11           HD3      ARG  11  -2.068 -11.147   0.549
    9    HE   ARG  11           HE       ARG  11  -2.765  -9.829   2.975
   10   HH11  ARG  11          HH11      ARG  11  -0.047 -10.852   1.040
   11   HH12  ARG  11          HH12      ARG  11   1.028 -10.976   2.392
   12   HH21  ARG  11          HH21      ARG  11  -1.353  -9.991   4.754
   13   HH22  ARG  11          HH22      ARG  11   0.287 -10.487   4.500

  No H/Q in entry =          13
  In of MODEL   27
    1    H    GLN  12           H        GLN  12  -4.516  -8.393   0.537
    2    HA   GLN  12           HA       GLN  12  -5.861  -8.775  -2.056
    3    HB2  GLN  12           HB2      GLN  12  -5.289 -10.700   0.178
    4    HB3  GLN  12           HB3      GLN  12  -6.616 -10.991  -0.937
    5    HG2  GLN  12           HG2      GLN  12  -3.771 -10.559  -1.807
    6    HG3  GLN  12           HG3      GLN  12  -4.478 -12.146  -1.503
    7   HE21  GLN  12          HE21      GLN  12  -3.910 -12.546  -3.740
    8   HE22  GLN  12          HE22      GLN  12  -4.985 -12.033  -4.991

  No H/Q in entry =           8
  In of MODEL   27
    1    H    CYS  13           H        CYS  13  -6.192  -7.962   1.283
    2    HA   CYS  13           HA       CYS  13  -8.647  -6.715   1.041
    3    HB2  CYS  13           HB2      CYS  13  -8.858  -9.608   1.350
    4    HB3  CYS  13           HB3      CYS  13  -9.704  -8.741   2.626

  No H/Q in entry =           4
  In of MODEL   27
    1    H    LYS  14           H        LYS  14  -6.101  -6.451   2.376
    2    HA   LYS  14           HA       LYS  14  -7.068  -5.655   4.962
    3    HB2  LYS  14           HB2      LYS  14  -5.487  -8.112   4.624
    4    HB3  LYS  14           HB3      LYS  14  -4.855  -7.005   5.835
    5    HG2  LYS  14           HG2      LYS  14  -6.563  -7.369   7.255
    6    HG3  LYS  14           HG3      LYS  14  -7.752  -7.516   5.959
    7    HD2  LYS  14           HD2      LYS  14  -6.522  -9.751   5.448
    8    HD3  LYS  14           HD3      LYS  14  -5.923  -9.591   7.100
    9    HE2  LYS  14           HE2      LYS  14  -7.873 -10.901   7.260
   10    HE3  LYS  14           HE3      LYS  14  -8.342  -9.287   7.795
   11    HZ3  LYS  14           HZ1      LYS  14 -10.025  -9.675   6.362
   12    HZ2  LYS  14           HZ2      LYS  14  -9.139 -10.757   5.410
   13    HZ1  LYS  14           HZ3      LYS  14  -8.914  -9.091   5.226

  No H/Q in entry =          13
  In of MODEL   27
    1    H    LEU  15           H        LEU  15  -5.867  -4.030   5.841
    2    HA   LEU  15           HA       LEU  15  -4.210  -2.510   4.199
    3    HB2  LEU  15           HB2      LEU  15  -5.305  -2.329   6.804
    4    HB3  LEU  15           HB3      LEU  15  -3.590  -1.995   6.944
    5    HG   LEU  15           HG       LEU  15  -4.147  -0.404   4.864
    6   HD13  LEU  15          HD11      LEU  15  -6.276   0.341   4.709
    7   HD12  LEU  15          HD12      LEU  15  -6.597   0.115   6.429
    8   HD11  LEU  15          HD13      LEU  15  -6.637  -1.267   5.335
    9   HD22  LEU  15          HD21      LEU  15  -3.186   0.819   6.474
   10   HD21  LEU  15          HD22      LEU  15  -3.991  -0.073   7.764
   11   HD23  LEU  15          HD23      LEU  15  -4.835   1.237   6.940

  No H/Q in entry =          11
  In of MODEL   27
    1    H    LYS  16           H        LYS  16  -2.257  -2.999   3.460
    2    HA   LYS  16           HA       LYS  16  -0.620  -5.026   4.456
    3    HB2  LYS  16           HB2      LYS  16  -0.137  -2.699   2.625
    4    HB3  LYS  16           HB3      LYS  16   1.204  -3.719   3.124
    5    HG2  LYS  16           HG2      LYS  16  -0.312  -5.665   2.317
    6    HG3  LYS  16           HG3      LYS  16  -1.154  -4.396   1.427
    7    HD2  LYS  16           HD2      LYS  16   1.465  -3.844   0.869
    8    HD3  LYS  16           HD3      LYS  16   1.471  -5.606   0.955
    9    HE2  LYS  16           HE2      LYS  16   0.792  -5.527  -1.177
   10    HE3  LYS  16           HE3      LYS  16  -0.785  -5.113  -0.506
   11    HZ1  LYS  16           HZ1      LYS  16   0.330  -2.714  -0.590
   12    HZ3  LYS  16           HZ2      LYS  16  -0.547  -3.362  -1.883
   13    HZ2  LYS  16           HZ3      LYS  16   1.143  -3.431  -1.890

  No H/Q in entry =          13
  In of MODEL   27
    1    HA   PRO  17           HA       PRO  17   1.240  -3.248   8.063
    2    HB2  PRO  17           HB2      PRO  17   3.675  -4.761   7.333
    3    HB3  PRO  17           HB3      PRO  17   2.694  -4.846   8.799
    4    HG2  PRO  17           HG2      PRO  17   2.641  -6.798   6.969
    5    HG3  PRO  17           HG3      PRO  17   1.185  -6.324   7.864
    6    HD2  PRO  17           HD2      PRO  17   1.984  -5.675   5.057
    7    HD3  PRO  17           HD3      PRO  17   0.380  -6.058   5.716

  No H/Q in entry =           7
  In of MODEL   27
    1    H    ALA  18           H        ALA  18   2.107  -1.288   8.281
    2    HA   ALA  18           HA       ALA  18   3.250   0.260   6.349
    3    HB2  ALA  18           HB1      ALA  18   3.899   1.765   8.036
    4    HB1  ALA  18           HB2      ALA  18   4.105   0.475   9.221
    5    HB3  ALA  18           HB3      ALA  18   2.488   0.928   8.683

  No H/Q in entry =           5
  In of MODEL   27
    1    H    GLY  19           H        GLY  19   5.027   0.049   5.176
    2    HA3  GLY  19           HA2      GLY  19   7.511   0.123   5.331
    3    HA2  GLY  19           HA3      GLY  19   7.374  -1.257   6.410

  No H/Q in entry =           3
  In of MODEL   27
    1    H    THR  20           H        THR  20   5.054  -1.586   4.056
    2    HA   THR  20           HA       THR  20   6.837  -3.279   2.433
    3    HB   THR  20           HB       THR  20   3.871  -3.612   2.934
    4    HG1  THR  20           HG1      THR  20   6.136  -4.921   4.008
    5   HG22  THR  20          HG21      THR  20   5.633  -5.733   1.809
    6   HG21  THR  20          HG22      THR  20   4.938  -4.508   0.746
    7   HG23  THR  20          HG23      THR  20   3.882  -5.548   1.704

  No H/Q in entry =           7
  In of MODEL   27
    1    H    THR  21           H        THR  21   7.052  -2.774   0.351
    2    HA   THR  21           HA       THR  21   6.164  -0.468  -0.812
    3    HB   THR  21           HB       THR  21   7.939  -1.968  -1.709
    4    HG1  THR  21           HG1      THR  21   6.869  -0.273  -2.969
    5   HG23  THR  21          HG21      THR  21   7.574  -3.972  -2.586
    6   HG22  THR  21          HG22      THR  21   6.125  -3.434  -3.438
    7   HG21  THR  21          HG23      THR  21   6.026  -3.912  -1.742

  No H/Q in entry =           7
  In of MODEL   27
    1    H    CYS  22           H        CYS  22   4.204   0.267  -1.263
    2    HA   CYS  22           HA       CYS  22   2.042  -1.650  -1.743
    3    HB2  CYS  22           HB2      CYS  22   0.576   0.406  -1.475
    4    HB3  CYS  22           HB3      CYS  22   1.446  -0.120  -0.041

  No H/Q in entry =           4
  In of MODEL   27
    1    H    TRP  23           H        TRP  23   3.986  -1.144  -3.798
    2    HA   TRP  23           HA       TRP  23   2.280  -0.790  -5.989
    3    HB2  TRP  23           HB2      TRP  23   2.811   1.637  -4.894
    4    HB3  TRP  23           HB3      TRP  23   4.126   1.509  -6.056
    5    HD1  TRP  23           HD1      TRP  23   1.679  -0.312  -7.814
    6    HE1  TRP  23           HE1      TRP  23   0.261   1.155  -9.384
    7    HE3  TRP  23           HE3      TRP  23   2.763   4.269  -5.840
    8    HZ2  TRP  23           HZ2      TRP  23  -0.321   3.888  -9.730
    9    HZ3  TRP  23           HZ3      TRP  23   1.742   6.263  -6.853
   10    HH2  TRP  23           HH2      TRP  23   0.234   6.073  -8.762

  No H/Q in entry =          10
  In of MODEL   27
    1    H    LYS  24           H        LYS  24   5.583   0.383  -5.468
    2    HA   LYS  24           HA       LYS  24   7.581  -0.221  -6.371
    3    HB2  LYS  24           HB2      LYS  24   6.893  -2.411  -5.278
    4    HB3  LYS  24           HB3      LYS  24   6.356  -2.932  -6.869
    5    HG2  LYS  24           HG2      LYS  24   8.837  -2.157  -7.490
    6    HG3  LYS  24           HG3      LYS  24   9.087  -2.602  -5.801
    7    HD2  LYS  24           HD2      LYS  24   9.526  -4.540  -7.116
    8    HD3  LYS  24           HD3      LYS  24   7.975  -4.792  -6.312
    9    HE2  LYS  24           HE2      LYS  24   7.316  -5.393  -8.386
   10    HE3  LYS  24           HE3      LYS  24   7.129  -3.652  -8.593
   11    HZ2  LYS  24           HZ1      LYS  24   9.298  -5.403  -9.560
   12    HZ1  LYS  24           HZ2      LYS  24   9.555  -3.742  -9.368
   13    HZ3  LYS  24           HZ3      LYS  24   8.359  -4.294 -10.429

  No H/Q in entry =          13
  In of MODEL   27
    1    H    THR  25           H        THR  25   5.365   0.801  -8.057
    2    HA   THR  25           HA       THR  25   5.294  -0.444 -10.559
    3    HB   THR  25           HB       THR  25   5.123   2.542 -10.151
    4    HG1  THR  25           HG1      THR  25   2.918   2.157  -9.664
    5   HG23  THR  25          HG21      THR  25   3.639   2.581 -11.952
    6   HG22  THR  25          HG22      THR  25   3.434   0.829 -11.934
    7   HG21  THR  25          HG23      THR  25   4.959   1.534 -12.471

  No H/Q in entry =           7
  In of MODEL   27
    1    H    SER  26           H        SER  26   6.648  -0.505 -12.250
    2    HA   SER  26           HA       SER  26   9.338  -0.011 -12.058
    3    HB2  SER  26           HB2      SER  26   9.226   0.106 -14.651
    4    HB3  SER  26           HB3      SER  26   8.700  -1.374 -13.849
    5    HG   SER  26           HG       SER  26   7.310   0.171 -15.481

  No H/Q in entry =           5
  In of MODEL   27
    1    H    VAL  27           H        VAL  27   6.799   2.241 -12.804
    2    HA   VAL  27           HA       VAL  27   8.712   4.301 -13.597
    3    HB   VAL  27           HB       VAL  27   6.658   4.074 -14.928
    4   HG12  VAL  27          HG11      VAL  27   4.518   4.923 -13.851
    5   HG11  VAL  27          HG12      VAL  27   5.318   4.658 -12.302
    6   HG13  VAL  27          HG13      VAL  27   5.046   3.303 -13.397
    7   HG22  VAL  27          HG21      VAL  27   6.159   6.381 -15.100
    8   HG21  VAL  27          HG22      VAL  27   7.838   6.281 -14.569
    9   HG23  VAL  27          HG23      VAL  27   6.568   6.670 -13.409

  No H/Q in entry =           9
  In of MODEL   27
    1    H    SER  28           H        SER  28   6.831   3.300 -10.870
    2    HA   SER  28           HA       SER  28   8.020   5.363  -9.250
    3    HB2  SER  28           HB2      SER  28   5.835   6.275 -10.369
    4    HB3  SER  28           HB3      SER  28   5.024   5.285  -9.155
    5    HG   SER  28           HG       SER  28   6.072   7.688  -8.847

  No H/Q in entry =           5
  In of MODEL   27
    1    H    SER  29           H        SER  29   8.769   4.141  -7.641
    2    HA   SER  29           HA       SER  29   7.127   1.940  -6.615
    3    HB2  SER  29           HB2      SER  29  10.001   2.609  -5.931
    4    HB3  SER  29           HB3      SER  29   9.140   1.116  -5.557
    5    HG   SER  29           HG       SER  29   8.995   0.738  -7.815

  No H/Q in entry =           5
  In of MODEL   27
    1    H    HIS  30           H        HIS  30   6.227   1.971  -4.625
    2    HA   HIS  30           HA       HIS  30   6.968   4.149  -2.795
    3    HB2  HIS  30           HB2      HIS  30   4.123   3.316  -3.380
    4    HB3  HIS  30           HB3      HIS  30   4.642   4.625  -2.323
    5    HD1  HIS  30           HD1      HIS  30   4.144   6.780  -3.415
    6    HD2  HIS  30           HD2      HIS  30   5.419   3.931  -6.154
    7    HE1  HIS  30           HE1      HIS  30   4.187   7.954  -5.639
    8    HE2  HIS  30           HE2      HIS  30   4.803   6.167  -7.294

  No H/Q in entry =           8
  In of MODEL   27
    1    H    TYR  31           H        TYR  31   5.917   3.786  -0.581
    2    HA   TYR  31           HA       TYR  31   5.873   0.915   0.067
    3    HB2  TYR  31           HB2      TYR  31   7.684   2.983   1.017
    4    HB3  TYR  31           HB3      TYR  31   6.852   2.180   2.344
    5    HD1  TYR  31           HD1      TYR  31   8.463   0.813   3.321
    6    HD2  TYR  31           HD2      TYR  31   8.015   0.781  -0.909
    7    HE1  TYR  31           HE1      TYR  31  10.040  -1.068   3.173
    8    HE2  TYR  31           HE2      TYR  31   9.588  -1.101  -1.069
    9    HH   TYR  31           HH       TYR  31  11.640  -1.989   1.322

  No H/Q in entry =           9
  In of MODEL   27
    1    H    CYS  32           H        CYS  32   4.363   0.240   1.546
    2    HA   CYS  32           HA       CYS  32   2.186   2.024   2.066
    3    HB2  CYS  32           HB2      CYS  32   2.226  -0.597   1.678
    4    HB3  CYS  32           HB3      CYS  32   2.402  -0.624   3.428

  No H/Q in entry =           4
  In of MODEL   27
    1    H    THR  33           H        THR  33   1.550   2.923   3.983
    2    HA   THR  33           HA       THR  33   3.566   2.910   6.115
    3    HB   THR  33           HB       THR  33   2.800   5.049   6.758
    4    HG1  THR  33           HG1      THR  33   0.570   4.732   5.040
    5   HG23  THR  33          HG21      THR  33   2.899   6.430   4.820
    6   HG22  THR  33          HG22      THR  33   2.440   5.086   3.774
    7   HG21  THR  33          HG23      THR  33   4.005   5.076   4.588

  No H/Q in entry =           7
  In of MODEL   27
    1    H    GLY  34           H        GLY  34   1.314   0.937   5.555
    2    HA3  GLY  34           HA2      GLY  34  -0.335  -0.185   6.719
    3    HA2  GLY  34           HA3      GLY  34   0.725   0.104   8.088

  No H/Q in entry =           3
  In of MODEL   27
    1    H    ARG  35           H        ARG  35  -0.812   2.734   6.380
    2    HA   ARG  35           HA       ARG  35  -2.429   3.258   8.779
    3    HB2  ARG  35           HB2      ARG  35  -0.669   4.935   7.863
    4    HB3  ARG  35           HB3      ARG  35  -1.876   5.284   6.633
    5    HG2  ARG  35           HG2      ARG  35  -3.249   6.354   8.082
    6    HG3  ARG  35           HG3      ARG  35  -2.779   5.341   9.449
    7    HD2  ARG  35           HD2      ARG  35  -0.760   7.193   8.285
    8    HD3  ARG  35           HD3      ARG  35  -2.041   7.869   9.290
    9    HE   ARG  35           HE       ARG  35   0.234   6.467  10.193
   10   HH11  ARG  35          HH11      ARG  35  -3.187   6.775  10.815
   11   HH12  ARG  35          HH12      ARG  35  -3.050   6.337  12.485
   12   HH21  ARG  35          HH21      ARG  35   0.416   5.891  12.389
   13   HH22  ARG  35          HH22      ARG  35  -1.005   5.836  13.379

  No H/Q in entry =          13
  In of MODEL   27
    1    H    SER  36           H        SER  36  -2.542   2.856   5.314
    2    HA   SER  36           HA       SER  36  -5.393   2.406   5.428
    3    HB2  SER  36           HB2      SER  36  -4.207   4.829   4.147
    4    HB3  SER  36           HB3      SER  36  -5.561   4.039   3.339
    5    HG   SER  36           HG       SER  36  -6.618   4.181   5.479

  No H/Q in entry =           5
  In of MODEL   27
    1    H    CYS  37           H        CYS  37  -6.208   1.840   3.131
    2    HA   CYS  37           HA       CYS  37  -4.240   0.019   1.986
    3    HB2  CYS  37           HB2      CYS  37  -7.223   0.205   1.915
    4    HB3  CYS  37           HB3      CYS  37  -6.387  -0.673   0.642

  No H/Q in entry =           4
  In of MODEL   27
    1    H    GLU  38           H        GLU  38  -4.749   3.107   1.513
    2    HA   GLU  38           HA       GLU  38  -4.727   2.965  -1.426
    3    HB2  GLU  38           HB2      GLU  38  -5.272   5.372   0.318
    4    HB3  GLU  38           HB3      GLU  38  -5.412   5.295  -1.433
    5    HG2  GLU  38           HG2      GLU  38  -7.402   4.226  -1.369
    6    HG3  GLU  38           HG3      GLU  38  -7.010   3.350   0.111

  No H/Q in entry =           6
  In of MODEL   27
    1    H    CYS  39           H        CYS  39  -2.554   2.517  -1.717
    2    HA   CYS  39           HA       CYS  39  -0.351   3.535  -0.475
    3    HB2  CYS  39           HB2      CYS  39  -0.426   1.821  -2.332
    4    HB3  CYS  39           HB3      CYS  39  -0.521   3.160  -3.469

  No H/Q in entry =           4
  In of MODEL   27
    1    HA   PRO  40           HA       PRO  40  -0.501   7.916  -1.247
    2    HB2  PRO  40           HB2      PRO  40   2.089   8.501  -0.623
    3    HB3  PRO  40           HB3      PRO  40   0.839   8.203   0.590
    4    HG2  PRO  40           HG2      PRO  40   2.930   6.344  -0.472
    5    HG3  PRO  40           HG3      PRO  40   2.389   6.581   1.200
    6    HD2  PRO  40           HD2      PRO  40   1.549   4.501  -0.295
    7    HD3  PRO  40           HD3      PRO  40   0.500   5.282   0.906

  No H/Q in entry =           7
  In of MODEL   27
    1    H    SER  41           H        SER  41   0.836   9.589  -2.455
    2    HA   SER  41           HA       SER  41   1.670   8.415  -5.008
    3    HB2  SER  41           HB2      SER  41   0.821  11.227  -4.282
    4    HB3  SER  41           HB3      SER  41   1.376  10.745  -5.885
    5    HG   SER  41           HG       SER  41  -0.392   9.432  -6.097

  No H/Q in entry =           5
  In of MODEL   27
    1    H    TYR  42           H        TYR  42   3.406   8.469  -2.656
    2    HA   TYR  42           HA       TYR  42   5.646   9.916  -3.870
    3    HB2  TYR  42           HB2      TYR  42   6.395  10.761  -1.718
    4    HB3  TYR  42           HB3      TYR  42   4.756  11.319  -2.034
    5    HD1  TYR  42           HD1      TYR  42   3.080  10.974  -0.447
    6    HD2  TYR  42           HD2      TYR  42   6.656   8.681  -0.219
    7    HE1  TYR  42           HE1      TYR  42   2.351  10.063   1.717
    8    HE2  TYR  42           HE2      TYR  42   5.936   7.763   1.945
    9    HH   TYR  42           HH       TYR  42   3.397   9.062   3.740

  No H/Q in entry =           9
  In of MODEL   27
    1    HA   PRO  43           HA       PRO  43   7.778   6.114  -3.166
    2    HB2  PRO  43           HB2      PRO  43  10.344   6.974  -3.132
    3    HB3  PRO  43           HB3      PRO  43   9.380   6.914  -4.612
    4    HG2  PRO  43           HG2      PRO  43   9.983   9.250  -2.837
    5    HG3  PRO  43           HG3      PRO  43   9.994   9.160  -4.608
    6    HD2  PRO  43           HD2      PRO  43   7.923  10.211  -3.209
    7    HD3  PRO  43           HD3      PRO  43   7.704   9.372  -4.758

  No H/Q in entry =           7
  In of MODEL   27
    1    H    GLY  44           H        GLY  44   8.643   4.885  -1.528
    2    HA3  GLY  44           HA2      GLY  44   8.335   5.784   1.120
    3    HA2  GLY  44           HA3      GLY  44   9.138   4.298   0.635

  No H/Q in entry =           3
  In of MODEL   27
    1    H    ASN  45           H        ASN  45  10.749   4.500   2.195
    2    HA   ASN  45           HA       ASN  45  12.779   5.107   3.022
    3    HB2  ASN  45           HB2      ASN  45  13.172   6.606   0.428
    4    HB3  ASN  45           HB3      ASN  45  14.419   5.967   1.496
    5   HD21  ASN  45          HD21      ASN  45  12.880   5.463  -1.327
    6   HD22  ASN  45          HD22      ASN  45  13.090   3.756  -1.487

  No H/Q in entry =           6
  In of MODEL   27
    1    H    GLY  46           H        GLY  46  10.514   6.748   3.625
    2    HA3  GLY  46           HA2      GLY  46  10.128   8.682   4.810
    3    HA2  GLY  46           HA3      GLY  46  11.858   8.986   4.758

  No H/Q in entry =           3
  In of MODEL   28
    1    H1   ALA   1           H3       ALA   1 -20.549  -1.598   1.565
    2    H2   ALA   1           H2       ALA   1 -21.041  -2.248   3.075
    3    H3   ALA   1           H1       ALA   1 -21.445  -0.632   2.661
    4    HA   ALA   1           HA       ALA   1 -19.357   0.132   2.950
    5    HB3  ALA   1           HB1      ALA   1 -20.573  -1.071   5.012
    6    HB1  ALA   1           HB2      ALA   1 -19.030  -0.230   5.158
    7    HB2  ALA   1           HB3      ALA   1 -19.065  -1.985   4.989

  No H/Q in entry =           7
  In of MODEL   28
    1    H    MET   2           H        MET   2 -17.086  -0.877   4.018
    2    HA   MET   2           HA       MET   2 -16.177  -2.950   2.143
    3    HB2  MET   2           HB2      MET   2 -14.522  -0.521   2.816
    4    HB3  MET   2           HB3      MET   2 -14.211  -1.733   1.580
    5    HG2  MET   2           HG2      MET   2 -16.411  -0.935   0.531
    6    HG3  MET   2           HG3      MET   2 -16.238   0.467   1.585
    7    HE2  MET   2           HE1      MET   2 -14.366  -0.907  -2.075
    8    HE1  MET   2           HE2      MET   2 -14.486  -1.888  -0.615
    9    HE3  MET   2           HE3      MET   2 -12.972  -1.074  -1.008

  No H/Q in entry =           9
  In of MODEL   28
    1    H    ASP   3           H        ASP   3 -15.644  -4.609   3.406
    2    HA   ASP   3           HA       ASP   3 -14.344  -4.090   5.982
    3    HB2  ASP   3           HB2      ASP   3 -14.837  -6.525   6.408
    4    HB3  ASP   3           HB3      ASP   3 -16.259  -5.508   6.199

  No H/Q in entry =           4
  In of MODEL   28
    1    H    CYS   4           H        CYS   4 -12.911  -3.809   3.489
    2    HA   CYS   4           HA       CYS   4 -10.665  -5.503   4.119
    3    HB2  CYS   4           HB2      CYS   4 -12.222  -5.823   1.573
    4    HB3  CYS   4           HB3      CYS   4 -10.495  -6.157   1.609

  No H/Q in entry =           4
  In of MODEL   28
    1    H    THR   5           H        THR   5 -12.065  -3.132   1.906
    2    HA   THR   5           HA       THR   5 -11.246  -1.146   1.130
    3    HB   THR   5           HB       THR   5  -8.692  -1.598   2.653
    4    HG1  THR   5           HG1      THR   5  -9.702  -1.386   4.467
    5   HG23  THR   5          HG21      THR   5  -8.669   0.381   1.318
    6   HG22  THR   5          HG22      THR   5  -8.854   0.847   3.008
    7   HG21  THR   5          HG23      THR   5 -10.249   0.869   1.929

  No H/Q in entry =           7
  In of MODEL   28
    1    H    THR   6           H        THR   6 -11.188  -2.797  -0.748
    2    HA   THR   6           HA       THR   6  -8.828  -3.914  -1.693
    3    HB   THR   6           HB       THR   6  -9.903  -3.714  -3.970
    4    HG1  THR   6           HG1      THR   6 -12.062  -2.601  -2.517
    5   HG21  THR   6          HG21      THR   6 -10.493  -5.452  -2.029
    6   HG23  THR   6          HG22      THR   6 -11.267  -5.465  -3.613
    7   HG22  THR   6          HG23      THR   6 -12.074  -4.702  -2.244

  No H/Q in entry =           7
  In of MODEL   28
    1    H    GLY   7           H        GLY   7  -6.957  -3.013  -2.232
    2    HA3  GLY   7           HA2      GLY   7  -6.844  -0.685  -3.916
    3    HA2  GLY   7           HA3      GLY   7  -6.328  -0.357  -2.269

  No H/Q in entry =           3
  In of MODEL   28
    1    HA   PRO   8           HA       PRO   8  -2.828  -2.001  -5.102
    2    HB2  PRO   8           HB2      PRO   8  -1.199   0.181  -4.536
    3    HB3  PRO   8           HB3      PRO   8  -2.154  -0.028  -6.006
    4    HG2  PRO   8           HG2      PRO   8  -2.769   1.555  -3.553
    5    HG3  PRO   8           HG3      PRO   8  -3.105   1.935  -5.251
    6    HD2  PRO   8           HD2      PRO   8  -5.029   1.066  -3.597
    7    HD3  PRO   8           HD3      PRO   8  -4.989   0.589  -5.308

  No H/Q in entry =           7
  In of MODEL   28
    1    H    CYS   9           H        CYS   9  -3.099  -0.640  -1.879
    2    HA   CYS   9           HA       CYS   9  -0.628  -1.923  -1.029
    3    HB2  CYS   9           HB2      CYS   9  -2.133   0.320  -0.133
    4    HB3  CYS   9           HB3      CYS   9  -2.042  -0.835   1.192

  No H/Q in entry =           4
  In of MODEL   28
    1    H    CYS  10           H        CYS  10  -4.043  -2.469  -0.935
    2    HA   CYS  10           HA       CYS  10  -4.106  -4.276   1.243
    3    HB2  CYS  10           HB2      CYS  10  -5.972  -3.163  -0.536
    4    HB3  CYS  10           HB3      CYS  10  -6.085  -4.903  -0.770

  No H/Q in entry =           4
  In of MODEL   28
    1    H    ARG  11           H        ARG  11  -2.942  -6.083   1.319
    2    HA   ARG  11           HA       ARG  11  -1.963  -7.426  -0.981
    3    HB2  ARG  11           HB2      ARG  11  -1.081  -7.366   1.495
    4    HB3  ARG  11           HB3      ARG  11  -2.119  -8.773   1.682
    5    HG2  ARG  11           HG2      ARG  11  -0.918  -9.804  -0.260
    6    HG3  ARG  11           HG3      ARG  11   0.215  -8.453  -0.185
    7    HD2  ARG  11           HD2      ARG  11   1.207  -9.215   1.699
    8    HD3  ARG  11           HD3      ARG  11  -0.299  -9.851   2.360
    9    HE   ARG  11           HE       ARG  11   0.371 -11.465   0.213
   10   HH11  ARG  11          HH11      ARG  11   1.745 -10.599   3.302
   11   HH12  ARG  11          HH12      ARG  11   2.562 -12.113   3.503
   12   HH21  ARG  11          HH21      ARG  11   1.446 -13.456   0.476
   13   HH22  ARG  11          HH22      ARG  11   2.393 -13.734   1.899

  No H/Q in entry =          13
  In of MODEL   28
    1    H    GLN  12           H        GLN  12  -4.984  -7.476   0.496
    2    HA   GLN  12           HA       GLN  12  -6.205  -9.195  -1.249
    3    HB2  GLN  12           HB2      GLN  12  -6.550 -11.207   0.325
    4    HB3  GLN  12           HB3      GLN  12  -5.034 -11.099  -0.558
    5    HG2  GLN  12           HG2      GLN  12  -3.808 -10.673   1.314
    6    HG3  GLN  12           HG3      GLN  12  -5.155  -9.910   2.158
    7   HE21  GLN  12          HE21      GLN  12  -3.990 -13.033   0.986
    8   HE22  GLN  12          HE22      GLN  12  -4.705 -13.974   2.246

  No H/Q in entry =           8
  In of MODEL   28
    1    H    CYS  13           H        CYS  13  -6.023  -7.874   1.953
    2    HA   CYS  13           HA       CYS  13  -8.676  -6.930   1.895
    3    HB2  CYS  13           HB2      CYS  13  -9.243  -9.275   2.314
    4    HB3  CYS  13           HB3      CYS  13  -8.196  -9.286   3.729

  No H/Q in entry =           4
  In of MODEL   28
    1    H    LYS  14           H        LYS  14  -5.776  -7.670   3.716
    2    HA   LYS  14           HA       LYS  14  -6.407  -5.458   5.551
    3    HB2  LYS  14           HB2      LYS  14  -4.313  -7.585   5.985
    4    HB3  LYS  14           HB3      LYS  14  -4.960  -6.454   7.165
    5    HG2  LYS  14           HG2      LYS  14  -7.184  -7.585   6.879
    6    HG3  LYS  14           HG3      LYS  14  -6.350  -8.814   5.926
    7    HD2  LYS  14           HD2      LYS  14  -4.768  -8.726   8.118
    8    HD3  LYS  14           HD3      LYS  14  -6.333  -8.332   8.832
    9    HE2  LYS  14           HE2      LYS  14  -6.426 -10.606   8.963
   10    HE3  LYS  14           HE3      LYS  14  -7.115 -10.382   7.356
   11    HZ2  LYS  14           HZ1      LYS  14  -5.141 -12.054   7.823
   12    HZ1  LYS  14           HZ2      LYS  14  -4.217 -10.668   7.531
   13    HZ3  LYS  14           HZ3      LYS  14  -5.291 -11.232   6.352

  No H/Q in entry =          13
  In of MODEL   28
    1    H    LEU  15           H        LEU  15  -5.186  -3.679   5.496
    2    HA   LEU  15           HA       LEU  15  -3.551  -2.968   3.452
    3    HB2  LEU  15           HB2      LEU  15  -2.409  -1.416   5.238
    4    HB3  LEU  15           HB3      LEU  15  -4.057  -1.149   4.719
    5    HG   LEU  15           HG       LEU  15  -3.505  -0.974   7.222
    6   HD11  LEU  15          HD11      LEU  15  -5.808  -1.642   5.829
    7   HD13  LEU  15          HD12      LEU  15  -5.700  -1.038   7.482
    8   HD12  LEU  15          HD13      LEU  15  -5.755  -2.774   7.180
    9   HD23  LEU  15          HD21      LEU  15  -3.678  -3.071   8.475
   10   HD22  LEU  15          HD22      LEU  15  -2.238  -3.023   7.460
   11   HD21  LEU  15          HD23      LEU  15  -3.635  -3.975   6.963

  No H/Q in entry =          11
  In of MODEL   28
    1    H    LYS  16           H        LYS  16  -1.623  -3.529   2.722
    2    HA   LYS  16           HA       LYS  16  -0.098  -5.584   3.708
    3    HB2  LYS  16           HB2      LYS  16   0.366  -3.374   1.798
    4    HB3  LYS  16           HB3      LYS  16   1.814  -4.140   2.437
    5    HG2  LYS  16           HG2      LYS  16   0.986  -6.319   1.686
    6    HG3  LYS  16           HG3      LYS  16  -0.450  -5.535   1.024
    7    HD2  LYS  16           HD2      LYS  16   1.227  -4.087  -0.300
    8    HD3  LYS  16           HD3      LYS  16   2.399  -5.342   0.108
    9    HE2  LYS  16           HE2      LYS  16  -0.159  -6.334  -0.939
   10    HE3  LYS  16           HE3      LYS  16   0.783  -5.376  -2.080
   11    HZ2  LYS  16           HZ1      LYS  16   1.192  -7.879  -1.989
   12    HZ1  LYS  16           HZ2      LYS  16   2.026  -7.573  -0.549
   13    HZ3  LYS  16           HZ3      LYS  16   2.546  -6.864  -1.994

  No H/Q in entry =          13
  In of MODEL   28
    1    HA   PRO  17           HA       PRO  17   2.050  -4.325   7.345
    2    HB2  PRO  17           HB2      PRO  17   4.489  -5.378   5.991
    3    HB3  PRO  17           HB3      PRO  17   3.850  -5.739   7.598
    4    HG2  PRO  17           HG2      PRO  17   3.569  -7.474   5.596
    5    HG3  PRO  17           HG3      PRO  17   2.276  -7.230   6.784
    6    HD2  PRO  17           HD2      PRO  17   2.461  -6.296   3.963
    7    HD3  PRO  17           HD3      PRO  17   1.035  -6.773   4.906

  No H/Q in entry =           7
  In of MODEL   28
    1    H    ALA  18           H        ALA  18   2.685  -2.330   7.857
    2    HA   ALA  18           HA       ALA  18   3.428  -0.335   6.135
    3    HB2  ALA  18           HB1      ALA  18   3.008  -0.498   8.824
    4    HB3  ALA  18           HB2      ALA  18   3.545   0.948   7.969
    5    HB1  ALA  18           HB3      ALA  18   4.725  -0.104   8.749

  No H/Q in entry =           5
  In of MODEL   28
    1    H    GLY  19           H        GLY  19   5.389   0.650   5.540
    2    HA3  GLY  19           HA2      GLY  19   7.656   0.780   5.102
    3    HA2  GLY  19           HA3      GLY  19   7.916  -0.518   6.257

  No H/Q in entry =           3
  In of MODEL   28
    1    H    THR  20           H        THR  20   5.570  -1.497   4.098
    2    HA   THR  20           HA       THR  20   7.582  -2.906   2.475
    3    HB   THR  20           HB       THR  20   4.762  -3.737   3.184
    4    HG1  THR  20           HG1      THR  20   5.816  -5.324   4.403
    5   HG21  THR  20          HG21      THR  20   6.180  -4.540   0.967
    6   HG23  THR  20          HG22      THR  20   4.843  -5.403   1.727
    7   HG22  THR  20          HG23      THR  20   6.507  -5.803   2.154

  No H/Q in entry =           7
  In of MODEL   28
    1    H    THR  21           H        THR  21   7.775  -2.051   0.518
    2    HA   THR  21           HA       THR  21   5.997  -0.294  -0.702
    3    HB   THR  21           HB       THR  21   8.192  -0.296  -1.533
    4    HG1  THR  21           HG1      THR  21   7.344  -0.007  -3.419
    5   HG23  THR  21          HG21      THR  21   9.485  -2.076  -1.560
    6   HG22  THR  21          HG22      THR  21   8.501  -2.786  -2.840
    7   HG21  THR  21          HG23      THR  21   8.099  -3.086  -1.149

  No H/Q in entry =           7
  In of MODEL   28
    1    H    CYS  22           H        CYS  22   4.043  -0.599  -1.480
    2    HA   CYS  22           HA       CYS  22   3.173  -3.297  -2.177
    3    HB2  CYS  22           HB2      CYS  22   1.045  -2.639  -1.665
    4    HB3  CYS  22           HB3      CYS  22   1.918  -1.461  -0.694

  No H/Q in entry =           4
  In of MODEL   28
    1    H    TRP  23           H        TRP  23   3.596  -0.112  -3.568
    2    HA   TRP  23           HA       TRP  23   2.480  -0.896  -6.104
    3    HB2  TRP  23           HB2      TRP  23   2.589   1.476  -4.863
    4    HB3  TRP  23           HB3      TRP  23   4.019   1.623  -5.878
    5    HD1  TRP  23           HD1      TRP  23   2.355  -0.276  -8.170
    6    HE1  TRP  23           HE1      TRP  23   0.783   1.038  -9.728
    7    HE3  TRP  23           HE3      TRP  23   1.861   3.981  -5.406
    8    HZ2  TRP  23           HZ2      TRP  23  -0.502   3.537  -9.764
    9    HZ3  TRP  23           HZ3      TRP  23   0.443   5.796  -6.277
   10    HH2  TRP  23           HH2      TRP  23  -0.706   5.571  -8.420

  No H/Q in entry =          10
  In of MODEL   28
    1    H    LYS  24           H        LYS  24   5.560   0.768  -5.573
    2    HA   LYS  24           HA       LYS  24   7.602   0.506  -6.537
    3    HB2  LYS  24           HB2      LYS  24   7.366  -1.710  -5.326
    4    HB3  LYS  24           HB3      LYS  24   6.871  -2.402  -6.864
    5    HG2  LYS  24           HG2      LYS  24   9.052  -2.863  -7.082
    6    HG3  LYS  24           HG3      LYS  24   9.169  -1.176  -7.587
    7    HD2  LYS  24           HD2      LYS  24   9.610  -0.576  -5.201
    8    HD3  LYS  24           HD3      LYS  24   9.678  -2.301  -4.836
    9    HE2  LYS  24           HE2      LYS  24  11.708  -2.556  -5.787
   10    HE3  LYS  24           HE3      LYS  24  11.359  -1.413  -7.083
   11    HZ2  LYS  24           HZ1      LYS  24  12.250  -0.816  -4.324
   12    HZ1  LYS  24           HZ2      LYS  24  11.605   0.370  -5.342
   13    HZ3  LYS  24           HZ3      LYS  24  13.028  -0.434  -5.777

  No H/Q in entry =          13
  In of MODEL   28
    1    H    THR  25           H        THR  25   5.101   0.916  -8.179
    2    HA   THR  25           HA       THR  25   5.174  -0.400 -10.611
    3    HB   THR  25           HB       THR  25   3.379   1.162  -9.966
    4    HG1  THR  25           HG1      THR  25   4.633   2.046 -12.346
    5   HG22  THR  25          HG21      THR  25   4.528   3.605 -10.880
    6   HG21  THR  25          HG22      THR  25   5.453   2.981  -9.515
    7   HG23  THR  25          HG23      THR  25   3.718   3.247  -9.355

  No H/Q in entry =           7
  In of MODEL   28
    1    H    SER  26           H        SER  26   5.908   0.474 -12.735
    2    HA   SER  26           HA       SER  26   8.708   1.170 -12.550
    3    HB2  SER  26           HB2      SER  26   8.758   0.753 -14.965
    4    HB3  SER  26           HB3      SER  26   7.956  -0.573 -14.123
    5    HG   SER  26           HG       SER  26   6.583  -0.137 -15.728

  No H/Q in entry =           5
  In of MODEL   28
    1    H    VAL  27           H        VAL  27   7.632   3.305 -11.563
    2    HA   VAL  27           HA       VAL  27   8.430   5.419 -13.185
    3    HB   VAL  27           HB       VAL  27   6.447   4.924 -14.540
    4   HG12  VAL  27          HG11      VAL  27   4.192   5.382 -13.546
    5   HG11  VAL  27          HG12      VAL  27   4.962   5.371 -11.960
    6   HG13  VAL  27          HG13      VAL  27   4.981   3.918 -12.959
    7   HG21  VAL  27          HG21      VAL  27   7.311   7.306 -14.006
    8   HG23  VAL  27          HG22      VAL  27   5.818   7.459 -13.080
    9   HG22  VAL  27          HG23      VAL  27   5.752   7.119 -14.810

  No H/Q in entry =           9
  In of MODEL   28
    1    H    SER  28           H        SER  28   6.363   4.325 -10.580
    2    HA   SER  28           HA       SER  28   7.382   6.410  -8.855
    3    HB2  SER  28           HB2      SER  28   5.279   7.281 -10.096
    4    HB3  SER  28           HB3      SER  28   4.388   6.171  -9.054
    5    HG   SER  28           HG       SER  28   6.060   8.319  -8.251

  No H/Q in entry =           5
  In of MODEL   28
    1    H    SER  29           H        SER  29   8.242   4.773  -7.571
    2    HA   SER  29           HA       SER  29   6.566   2.633  -6.596
    3    HB2  SER  29           HB2      SER  29   8.606   2.078  -5.208
    4    HB3  SER  29           HB3      SER  29   8.879   2.097  -6.951
    5    HG   SER  29           HG       SER  29  10.022   3.919  -6.773

  No H/Q in entry =           5
  In of MODEL   28
    1    H    HIS  30           H        HIS  30   6.208   2.233  -4.293
    2    HA   HIS  30           HA       HIS  30   6.351   4.572  -2.559
    3    HB2  HIS  30           HB2      HIS  30   3.731   3.188  -3.163
    4    HB3  HIS  30           HB3      HIS  30   3.969   4.494  -2.004
    5    HD1  HIS  30           HD1      HIS  30   3.668   6.808  -2.884
    6    HD2  HIS  30           HD2      HIS  30   4.250   4.031  -5.915
    7    HE1  HIS  30           HE1      HIS  30   3.329   8.076  -5.030
    8    HE2  HIS  30           HE2      HIS  30   3.591   6.352  -6.848

  No H/Q in entry =           8
  In of MODEL   28
    1    H    TYR  31           H        TYR  31   5.389   4.012  -0.342
    2    HA   TYR  31           HA       TYR  31   6.001   1.215   0.344
    3    HB2  TYR  31           HB2      TYR  31   7.237   3.679   1.303
    4    HB3  TYR  31           HB3      TYR  31   6.622   2.681   2.617
    5    HD1  TYR  31           HD1      TYR  31   8.125   1.645  -0.631
    6    HD2  TYR  31           HD2      TYR  31   8.519   1.759   3.603
    7    HE1  TYR  31           HE1      TYR  31  10.124   0.222  -0.785
    8    HE2  TYR  31           HE2      TYR  31  10.520   0.338   3.462
    9    HH   TYR  31           HH       TYR  31  11.369  -1.373   0.709

  No H/Q in entry =           9
  In of MODEL   28
    1    H    CYS  32           H        CYS  32   4.534   0.204   1.627
    2    HA   CYS  32           HA       CYS  32   2.056   1.513   2.160
    3    HB2  CYS  32           HB2      CYS  32   2.764  -1.087   1.815
    4    HB3  CYS  32           HB3      CYS  32   2.600  -1.026   3.567

  No H/Q in entry =           4
  In of MODEL   28
    1    H    THR  33           H        THR  33   1.162   2.133   4.113
    2    HA   THR  33           HA       THR  33   3.110   2.582   6.257
    3    HB   THR  33           HB       THR  33   1.576   4.305   7.063
    4    HG1  THR  33           HG1      THR  33  -0.321   4.741   5.943
    5   HG23  THR  33          HG21      THR  33   1.736   5.905   5.321
    6   HG22  THR  33          HG22      THR  33   1.856   4.645   4.093
    7   HG21  THR  33          HG23      THR  33   3.173   4.887   5.240

  No H/Q in entry =           7
  In of MODEL   28
    1    H    GLY  34           H        GLY  34   1.494   0.069   5.661
    2    HA3  GLY  34           HA2      GLY  34   0.266  -1.505   6.814
    3    HA2  GLY  34           HA3      GLY  34   1.173  -0.916   8.198

  No H/Q in entry =           3
  In of MODEL   28
    1    H    ARG  35           H        ARG  35  -1.037   1.156   6.472
    2    HA   ARG  35           HA       ARG  35  -3.010   0.851   8.629
    3    HB2  ARG  35           HB2      ARG  35  -1.634   3.323   7.687
    4    HB3  ARG  35           HB3      ARG  35  -3.314   3.445   8.192
    5    HG2  ARG  35           HG2      ARG  35  -1.125   2.283   9.897
    6    HG3  ARG  35           HG3      ARG  35  -1.663   3.962   9.975
    7    HD2  ARG  35           HD2      ARG  35  -4.030   2.727  10.209
    8    HD3  ARG  35           HD3      ARG  35  -2.990   1.490  10.913
    9    HE   ARG  35           HE       ARG  35  -2.707   2.827  12.743
   10   HH11  ARG  35          HH11      ARG  35  -3.942   4.772  10.122
   11   HH12  ARG  35          HH12      ARG  35  -4.175   6.176  11.108
   12   HH21  ARG  35          HH21      ARG  35  -3.013   4.673  14.042
   13   HH22  ARG  35          HH22      ARG  35  -3.647   6.121  13.333

  No H/Q in entry =          13
  In of MODEL   28
    1    H    SER  36           H        SER  36  -2.462   2.392   5.481
    2    HA   SER  36           HA       SER  36  -5.283   1.976   4.811
    3    HB2  SER  36           HB2      SER  36  -3.114   3.642   3.521
    4    HB3  SER  36           HB3      SER  36  -4.713   3.421   2.810
    5    HG   SER  36           HG       SER  36  -4.150   4.535   5.361

  No H/Q in entry =           5
  In of MODEL   28
    1    H    CYS  37           H        CYS  37  -5.864   1.052   2.740
    2    HA   CYS  37           HA       CYS  37  -4.030  -1.097   1.999
    3    HB2  CYS  37           HB2      CYS  37  -6.957  -0.707   1.922
    4    HB3  CYS  37           HB3      CYS  37  -6.274  -1.614   0.577

  No H/Q in entry =           4
  In of MODEL   28
    1    H    GLU  38           H        GLU  38  -4.144   1.902   1.089
    2    HA   GLU  38           HA       GLU  38  -3.655   1.272  -1.739
    3    HB2  GLU  38           HB2      GLU  38  -4.625   3.535  -2.298
    4    HB3  GLU  38           HB3      GLU  38  -5.788   2.322  -1.783
    5    HG2  GLU  38           HG2      GLU  38  -5.497   3.356   0.557
    6    HG3  GLU  38           HG3      GLU  38  -4.791   4.722  -0.307

  No H/Q in entry =           6
  In of MODEL   28
    1    H    CYS  39           H        CYS  39  -1.563   1.627  -2.084
    2    HA   CYS  39           HA       CYS  39   0.245   2.918  -0.507
    3    HB2  CYS  39           HB2      CYS  39   0.150   2.221  -3.388
    4    HB3  CYS  39           HB3      CYS  39   1.368   3.401  -2.914

  No H/Q in entry =           4
  In of MODEL   28
    1    HA   PRO  40           HA       PRO  40  -0.642   7.245  -0.639
    2    HB2  PRO  40           HB2      PRO  40   1.903   8.221  -0.294
    3    HB3  PRO  40           HB3      PRO  40   0.887   7.612   1.016
    4    HG2  PRO  40           HG2      PRO  40   3.080   6.233  -0.480
    5    HG3  PRO  40           HG3      PRO  40   2.716   6.204   1.256
    6    HD2  PRO  40           HD2      PRO  40   2.034   4.170  -0.361
    7    HD3  PRO  40           HD3      PRO  40   1.004   4.664   0.999

  No H/Q in entry =           7
  In of MODEL   28
    1    H    SER  41           H        SER  41   0.307   9.310  -1.689
    2    HA   SER  41           HA       SER  41   0.739   8.693  -4.513
    3    HB2  SER  41           HB2      SER  41  -0.130  10.822  -5.013
    4    HB3  SER  41           HB3      SER  41  -1.099  10.281  -3.643
    5    HG   SER  41           HG       SER  41   0.029  11.625  -2.312

  No H/Q in entry =           5
  In of MODEL   28
    1    H    TYR  42           H        TYR  42   2.870   8.559  -2.434
    2    HA   TYR  42           HA       TYR  42   4.860  10.044  -3.916
    3    HB2  TYR  42           HB2      TYR  42   5.771  11.242  -2.037
    4    HB3  TYR  42           HB3      TYR  42   4.059  11.634  -2.156
    5    HD1  TYR  42           HD1      TYR  42   6.571   9.719  -0.250
    6    HD2  TYR  42           HD2      TYR  42   2.540  11.072  -0.400
    7    HE1  TYR  42           HE1      TYR  42   6.266   9.053   2.097
    8    HE2  TYR  42           HE2      TYR  42   2.224  10.410   1.947
    9    HH   TYR  42           HH       TYR  42   3.342   8.676   3.537

  No H/Q in entry =           9
  In of MODEL   28
    1    HA   PRO  43           HA       PRO  43   7.130   6.383  -2.911
    2    HB2  PRO  43           HB2      PRO  43   9.632   7.184  -3.522
    3    HB3  PRO  43           HB3      PRO  43   8.405   6.898  -4.763
    4    HG2  PRO  43           HG2      PRO  43   9.305   9.486  -3.553
    5    HG3  PRO  43           HG3      PRO  43   8.990   9.098  -5.255
    6    HD2  PRO  43           HD2      PRO  43   7.202  10.408  -3.681
    7    HD3  PRO  43           HD3      PRO  43   6.715   9.350  -5.021

  No H/Q in entry =           7
  In of MODEL   28
    1    H    GLY  44           H        GLY  44   8.447   5.487  -1.315
    2    HA3  GLY  44           HA2      GLY  44   8.499   6.761   1.175
    3    HA2  GLY  44           HA3      GLY  44   9.418   5.322   0.757

  No H/Q in entry =           3
  In of MODEL   28
    1    H    ASN  45           H        ASN  45  10.537   7.010   2.510
    2    HA   ASN  45           HA       ASN  45  12.998   7.657   1.311
    3    HB2  ASN  45           HB2      ASN  45  11.644   9.550   0.408
    4    HB3  ASN  45           HB3      ASN  45  11.337  10.071   2.062
    5   HD21  ASN  45          HD21      ASN  45  13.536  10.049  -0.549
    6   HD22  ASN  45          HD22      ASN  45  14.790  10.970   0.201

  No H/Q in entry =           6
  In of MODEL   28
    1    H    GLY  46           H        GLY  46  10.806   8.618   3.944
    2    HA3  GLY  46           HA2      GLY  46  12.619   7.587   5.919
    3    HA2  GLY  46           HA3      GLY  46  12.580   9.344   5.892

  No H/Q in entry =           3
  In of MODEL   29
    1    H1   ALA   1           H2       ALA   1 -11.994  -3.915   8.151
    2    H2   ALA   1           H1       ALA   1 -12.807  -2.448   8.515
    3    H3   ALA   1           H3       ALA   1 -11.191  -2.681   9.034
    4    HA   ALA   1           HA       ALA   1 -11.759  -4.185  10.620
    5    HB1  ALA   1           HB1      ALA   1 -12.366  -1.986  11.326
    6    HB3  ALA   1           HB2      ALA   1 -13.621  -3.095  11.876
    7    HB2  ALA   1           HB3      ALA   1 -13.903  -2.075  10.466

  No H/Q in entry =           7
  In of MODEL   29
    1    H    MET   2           H        MET   2 -14.279  -3.818   8.219
    2    HA   MET   2           HA       MET   2 -15.305  -6.465   8.981
    3    HB2  MET   2           HB2      MET   2 -17.593  -5.733   8.526
    4    HB3  MET   2           HB3      MET   2 -16.874  -4.778   9.816
    5    HG2  MET   2           HG2      MET   2 -16.384  -3.003   8.154
    6    HG3  MET   2           HG3      MET   2 -17.258  -3.949   6.950
    7    HE1  MET   2           HE1      MET   2 -18.665  -2.335   6.259
    8    HE3  MET   2           HE2      MET   2 -18.726  -0.934   7.329
    9    HE2  MET   2           HE3      MET   2 -20.186  -1.875   7.023

  No H/Q in entry =           9
  In of MODEL   29
    1    H    ASP   3           H        ASP   3 -15.225  -3.962   6.463
    2    HA   ASP   3           HA       ASP   3 -15.535  -6.058   4.430
    3    HB2  ASP   3           HB2      ASP   3 -16.179  -3.157   4.533
    4    HB3  ASP   3           HB3      ASP   3 -15.682  -3.813   2.976

  No H/Q in entry =           4
  In of MODEL   29
    1    H    CYS   4           H        CYS   4 -14.281  -5.591   2.351
    2    HA   CYS   4           HA       CYS   4 -11.497  -5.007   3.095
    3    HB2  CYS   4           HB2      CYS   4 -12.615  -6.633   0.807
    4    HB3  CYS   4           HB3      CYS   4 -10.904  -6.314   1.069

  No H/Q in entry =           4
  In of MODEL   29
    1    H    THR   5           H        THR   5 -10.391  -3.412   2.152
    2    HA   THR   5           HA       THR   5 -11.810  -1.595   0.399
    3    HB   THR   5           HB       THR   5  -8.992  -1.416   1.469
    4    HG1  THR   5           HG1      THR   5 -11.353  -0.269   2.532
    5   HG21  THR   5          HG21      THR   5 -10.825   0.624   0.257
    6   HG23  THR   5          HG22      THR   5  -9.194   0.180  -0.244
    7   HG22  THR   5          HG23      THR   5  -9.445   1.056   1.265

  No H/Q in entry =           7
  In of MODEL   29
    1    H    THR   6           H        THR   6 -10.570  -0.666  -1.514
    2    HA   THR   6           HA       THR   6  -9.025  -2.769  -2.873
    3    HB   THR   6           HB       THR   6 -10.252  -1.619  -4.974
    4    HG1  THR   6           HG1      THR   6 -12.410  -1.245  -4.428
    5   HG22  THR   6          HG21      THR   6 -12.128  -3.509  -3.981
    6   HG21  THR   6          HG22      THR   6 -10.497  -4.067  -3.606
    7   HG23  THR   6          HG23      THR   6 -10.941  -3.692  -5.272

  No H/Q in entry =           7
  In of MODEL   29
    1    H    GLY   7           H        GLY   7  -7.084  -2.081  -3.441
    2    HA3  GLY   7           HA2      GLY   7  -6.575   0.281  -4.873
    3    HA2  GLY   7           HA3      GLY   7  -6.216   0.577  -3.179

  No H/Q in entry =           3
  In of MODEL   29
    1    HA   PRO   8           HA       PRO   8  -2.630  -1.492  -5.624
    2    HB2  PRO   8           HB2      PRO   8  -0.871   0.595  -5.119
    3    HB3  PRO   8           HB3      PRO   8  -1.741   0.339  -6.633
    4    HG2  PRO   8           HG2      PRO   8  -2.375   2.172  -4.368
    5    HG3  PRO   8           HG3      PRO   8  -2.565   2.430  -6.111
    6    HD2  PRO   8           HD2      PRO   8  -4.661   1.859  -4.529
    7    HD3  PRO   8           HD3      PRO   8  -4.557   1.254  -6.196

  No H/Q in entry =           7
  In of MODEL   29
    1    H    CYS   9           H        CYS   9  -3.084   0.136  -2.564
    2    HA   CYS   9           HA       CYS   9  -0.738  -1.008  -1.341
    3    HB2  CYS   9           HB2      CYS   9  -2.537   1.068  -0.709
    4    HB3  CYS   9           HB3      CYS   9  -2.688  -0.117   0.583

  No H/Q in entry =           4
  In of MODEL   29
    1    H    CYS  10           H        CYS  10  -4.073  -1.870  -1.738
    2    HA   CYS  10           HA       CYS  10  -4.297  -3.732   0.371
    3    HB2  CYS  10           HB2      CYS  10  -5.952  -2.745  -1.674
    4    HB3  CYS  10           HB3      CYS  10  -5.877  -4.484  -1.930

  No H/Q in entry =           4
  In of MODEL   29
    1    H    ARG  11           H        ARG  11  -3.843  -5.879   0.509
    2    HA   ARG  11           HA       ARG  11  -2.026  -6.956  -1.482
    3    HB2  ARG  11           HB2      ARG  11  -1.876  -8.878   0.166
    4    HB3  ARG  11           HB3      ARG  11  -1.317  -7.317   0.750
    5    HG2  ARG  11           HG2      ARG  11  -3.031  -7.098   2.235
    6    HG3  ARG  11           HG3      ARG  11  -4.143  -8.063   1.262
    7    HD2  ARG  11           HD2      ARG  11  -2.737 -10.068   1.839
    8    HD3  ARG  11           HD3      ARG  11  -1.877  -9.042   2.986
    9    HE   ARG  11           HE       ARG  11  -4.671  -8.912   3.430
   10   HH11  ARG  11          HH11      ARG  11  -1.912 -10.998   3.894
   11   HH12  ARG  11          HH12      ARG  11  -2.591 -11.797   5.272
   12   HH21  ARG  11          HH21      ARG  11  -5.566  -9.962   5.242
   13   HH22  ARG  11          HH22      ARG  11  -4.666 -11.210   6.037

  No H/Q in entry =          13
  In of MODEL   29
    1    H    GLN  12           H        GLN  12  -5.260  -7.473  -0.282
    2    HA   GLN  12           HA       GLN  12  -6.276  -8.624  -2.573
    3    HB2  GLN  12           HB2      GLN  12  -4.815 -10.525  -0.900
    4    HB3  GLN  12           HB3      GLN  12  -6.465 -11.031  -1.238
    5    HG2  GLN  12           HG2      GLN  12  -4.984 -10.038  -3.564
    6    HG3  GLN  12           HG3      GLN  12  -4.337 -11.509  -2.841
    7   HE21  GLN  12          HE21      GLN  12  -5.736 -13.338  -2.653
    8   HE22  GLN  12          HE22      GLN  12  -7.056 -13.541  -3.749

  No H/Q in entry =           8
  In of MODEL   29
    1    H    CYS  13           H        CYS  13  -6.651  -7.382   0.405
    2    HA   CYS  13           HA       CYS  13  -9.407  -7.318   0.384
    3    HB2  CYS  13           HB2      CYS  13  -8.617  -9.862   1.119
    4    HB3  CYS  13           HB3      CYS  13  -8.897  -9.076   2.668

  No H/Q in entry =           4
  In of MODEL   29
    1    H    LYS  14           H        LYS  14  -6.492  -7.391   2.353
    2    HA   LYS  14           HA       LYS  14  -7.589  -5.149   3.916
    3    HB2  LYS  14           HB2      LYS  14  -7.178  -7.538   5.032
    4    HB3  LYS  14           HB3      LYS  14  -5.539  -6.914   5.155
    5    HG2  LYS  14           HG2      LYS  14  -6.097  -5.352   6.700
    6    HG3  LYS  14           HG3      LYS  14  -7.730  -5.144   6.064
    7    HD2  LYS  14           HD2      LYS  14  -8.515  -7.073   7.151
    8    HD3  LYS  14           HD3      LYS  14  -6.882  -7.668   7.456
    9    HE2  LYS  14           HE2      LYS  14  -6.548  -5.650   8.928
   10    HE3  LYS  14           HE3      LYS  14  -8.276  -5.342   8.764
   11    HZ3  LYS  14           HZ1      LYS  14  -8.356  -6.610  10.606
   12    HZ2  LYS  14           HZ2      LYS  14  -6.895  -7.397  10.284
   13    HZ1  LYS  14           HZ3      LYS  14  -8.310  -7.890   9.501

  No H/Q in entry =          13
  In of MODEL   29
    1    H    LEU  15           H        LEU  15  -6.187  -3.482   4.418
    2    HA   LEU  15           HA       LEU  15  -4.224  -2.821   2.572
    3    HB2  LEU  15           HB2      LEU  15  -3.454  -1.209   4.462
    4    HB3  LEU  15           HB3      LEU  15  -5.028  -0.998   3.720
    5    HG   LEU  15           HG       LEU  15  -5.031  -2.721   6.104
    6   HD12  LEU  15          HD11      LEU  15  -5.106  -0.320   7.352
    7   HD11  LEU  15          HD12      LEU  15  -3.835  -0.042   6.162
    8   HD13  LEU  15          HD13      LEU  15  -3.695  -1.377   7.306
    9   HD23  LEU  15          HD21      LEU  15  -6.701  -0.304   5.900
   10   HD22  LEU  15          HD22      LEU  15  -7.145  -1.964   6.298
   11   HD21  LEU  15          HD23      LEU  15  -6.913  -1.492   4.614

  No H/Q in entry =          11
  In of MODEL   29
    1    H    LYS  16           H        LYS  16  -2.176  -3.387   2.288
    2    HA   LYS  16           HA       LYS  16  -0.932  -5.439   3.660
    3    HB2  LYS  16           HB2      LYS  16  -0.020  -3.319   1.784
    4    HB3  LYS  16           HB3      LYS  16   1.222  -4.183   2.680
    5    HG2  LYS  16           HG2      LYS  16   0.292  -6.313   1.830
    6    HG3  LYS  16           HG3      LYS  16  -0.846  -5.383   0.852
    7    HD2  LYS  16           HD2      LYS  16   1.452  -4.202   0.119
    8    HD3  LYS  16           HD3      LYS  16   2.058  -5.815   0.500
    9    HE2  LYS  16           HE2      LYS  16   0.616  -6.828  -1.084
   10    HE3  LYS  16           HE3      LYS  16  -0.315  -5.345  -1.288
   11    HZ1  LYS  16           HZ1      LYS  16   2.555  -5.368  -1.938
   12    HZ3  LYS  16           HZ2      LYS  16   1.326  -4.386  -2.559
   13    HZ2  LYS  16           HZ3      LYS  16   1.442  -6.002  -3.044

  No H/Q in entry =          13
  In of MODEL   29
    1    HA   PRO  17           HA       PRO  17   0.827  -3.785   7.346
    2    HB2  PRO  17           HB2      PRO  17   3.364  -4.780   7.354
    3    HB3  PRO  17           HB3      PRO  17   1.936  -5.762   7.699
    4    HG2  PRO  17           HG2      PRO  17   3.490  -5.505   5.154
    5    HG3  PRO  17           HG3      PRO  17   2.830  -6.962   5.920
    6    HD2  PRO  17           HD2      PRO  17   1.610  -5.752   3.838
    7    HD3  PRO  17           HD3      PRO  17   0.698  -6.567   5.125

  No H/Q in entry =           7
  In of MODEL   29
    1    H    ALA  18           H        ALA  18   1.628  -1.859   7.929
    2    HA   ALA  18           HA       ALA  18   2.620   0.012   6.160
    3    HB3  ALA  18           HB1      ALA  18   1.682   0.596   8.331
    4    HB2  ALA  18           HB2      ALA  18   3.276   1.321   8.120
    5    HB1  ALA  18           HB3      ALA  18   3.084  -0.107   9.138

  No H/Q in entry =           5
  In of MODEL   29
    1    H    GLY  19           H        GLY  19   4.619   0.687   5.502
    2    HA3  GLY  19           HA2      GLY  19   6.941   0.750   5.365
    3    HA2  GLY  19           HA3      GLY  19   7.024  -0.403   6.689

  No H/Q in entry =           3
  In of MODEL   29
    1    H    THR  20           H        THR  20   4.968  -1.152   4.025
    2    HA   THR  20           HA       THR  20   6.999  -3.001   2.960
    3    HB   THR  20           HB       THR  20   4.048  -3.538   3.360
    4    HG1  THR  20           HG1      THR  20   5.513  -3.667   5.219
    5   HG21  THR  20          HG21      THR  20   5.594  -4.653   1.405
    6   HG23  THR  20          HG22      THR  20   4.163  -5.386   2.130
    7   HG22  THR  20          HG23      THR  20   5.768  -5.801   2.733

  No H/Q in entry =           7
  In of MODEL   29
    1    H    THR  21           H        THR  21   7.406  -2.708   0.871
    2    HA   THR  21           HA       THR  21   6.210  -0.767  -0.710
    3    HB   THR  21           HB       THR  21   7.204  -2.783  -2.449
    4    HG1  THR  21           HG1      THR  21   8.196  -3.839  -0.797
    5   HG22  THR  21          HG21      THR  21   9.299  -1.122  -2.167
    6   HG21  THR  21          HG22      THR  21   7.995  -0.104  -1.552
    7   HG23  THR  21          HG23      THR  21   7.894  -0.783  -3.177

  No H/Q in entry =           7
  In of MODEL   29
    1    H    CYS  22           H        CYS  22   4.386  -0.651  -1.831
    2    HA   CYS  22           HA       CYS  22   2.863  -3.136  -2.266
    3    HB2  CYS  22           HB2      CYS  22   0.842  -1.651  -2.251
    4    HB3  CYS  22           HB3      CYS  22   1.692  -1.732  -0.711

  No H/Q in entry =           4
  In of MODEL   29
    1    H    TRP  23           H        TRP  23   3.655   0.034  -3.629
    2    HA   TRP  23           HA       TRP  23   2.447  -0.624  -6.164
    3    HB2  TRP  23           HB2      TRP  23   2.823   1.730  -4.916
    4    HB3  TRP  23           HB3      TRP  23   4.245   1.720  -5.954
    5    HD1  TRP  23           HD1      TRP  23   1.951  -0.053  -8.006
    6    HE1  TRP  23           HE1      TRP  23   0.669   1.487  -9.620
    7    HE3  TRP  23           HE3      TRP  23   2.888   4.439  -5.760
    8    HZ2  TRP  23           HZ2      TRP  23   0.122   4.237  -9.899
    9    HZ3  TRP  23           HZ3      TRP  23   1.952   6.479  -6.767
   10    HH2  TRP  23           HH2      TRP  23   0.598   6.378  -8.796

  No H/Q in entry =          10
  In of MODEL   29
    1    H    LYS  24           H        LYS  24   5.710   0.579  -5.457
    2    HA   LYS  24           HA       LYS  24   7.729   0.138  -6.415
    3    HB2  LYS  24           HB2      LYS  24   7.332  -2.020  -5.259
    4    HB3  LYS  24           HB3      LYS  24   6.581  -2.642  -6.721
    5    HG2  LYS  24           HG2      LYS  24   8.561  -2.906  -7.797
    6    HG3  LYS  24           HG3      LYS  24   9.318  -1.543  -6.970
    7    HD2  LYS  24           HD2      LYS  24   9.141  -3.056  -4.866
    8    HD3  LYS  24           HD3      LYS  24   8.958  -4.364  -6.036
    9    HE2  LYS  24           HE2      LYS  24  11.258  -2.418  -5.890
   10    HE3  LYS  24           HE3      LYS  24  11.289  -4.101  -5.365
   11    HZ2  LYS  24           HZ1      LYS  24  11.353  -2.993  -8.061
   12    HZ1  LYS  24           HZ2      LYS  24  10.487  -4.431  -7.854
   13    HZ3  LYS  24           HZ3      LYS  24  12.124  -4.363  -7.434

  No H/Q in entry =          13
  In of MODEL   29
    1    H    THR  25           H        THR  25   5.535   1.051  -8.109
    2    HA   THR  25           HA       THR  25   5.292  -0.172 -10.559
    3    HB   THR  25           HB       THR  25   5.490   2.795  -9.994
    4    HG1  THR  25           HG1      THR  25   3.206   2.620  -9.911
    5   HG23  THR  25          HG21      THR  25   5.636   2.424 -12.375
    6   HG22  THR  25          HG22      THR  25   4.057   3.087 -11.953
    7   HG21  THR  25          HG23      THR  25   4.224   1.369 -12.320

  No H/Q in entry =           7
  In of MODEL   29
    1    H    SER  26           H        SER  26   6.272   0.451 -12.662
    2    HA   SER  26           HA       SER  26   9.144   0.283 -12.480
    3    HB2  SER  26           HB2      SER  26   7.826  -1.017 -14.152
    4    HB3  SER  26           HB3      SER  26   7.408   0.498 -14.952
    5    HG   SER  26           HG       SER  26   9.182   0.063 -16.021

  No H/Q in entry =           5
  In of MODEL   29
    1    H    VAL  27           H        VAL  27   8.644   2.595 -11.349
    2    HA   VAL  27           HA       VAL  27  10.172   4.486 -12.598
    3    HB   VAL  27           HB       VAL  27   8.476   4.666 -14.355
    4   HG11  VAL  27          HG11      VAL  27   6.613   5.276 -12.069
    5   HG13  VAL  27          HG12      VAL  27   6.496   3.964 -13.241
    6   HG12  VAL  27          HG13      VAL  27   6.236   5.630 -13.755
    7   HG22  VAL  27          HG21      VAL  27   8.302   7.012 -14.412
    8   HG21  VAL  27          HG22      VAL  27   9.756   6.679 -13.471
    9   HG23  VAL  27          HG23      VAL  27   8.261   7.133 -12.653

  No H/Q in entry =           9
  In of MODEL   29
    1    H    SER  28           H        SER  28   7.376   3.862 -10.592
    2    HA   SER  28           HA       SER  28   8.427   5.745  -8.606
    3    HB2  SER  28           HB2      SER  28   6.365   6.549 -10.056
    4    HB3  SER  28           HB3      SER  28   5.463   5.528  -8.936
    5    HG   SER  28           HG       SER  28   6.428   7.984  -8.540

  No H/Q in entry =           5
  In of MODEL   29
    1    H    SER  29           H        SER  29   9.081   4.320  -7.091
    2    HA   SER  29           HA       SER  29   7.291   2.124  -6.335
    3    HB2  SER  29           HB2      SER  29   9.316   1.382  -4.969
    4    HB3  SER  29           HB3      SER  29   9.505   1.339  -6.721
    5    HG   SER  29           HG       SER  29  10.797   3.084  -6.642

  No H/Q in entry =           5
  In of MODEL   29
    1    H    HIS  30           H        HIS  30   6.013   2.347  -4.628
    2    HA   HIS  30           HA       HIS  30   6.774   4.295  -2.552
    3    HB2  HIS  30           HB2      HIS  30   3.961   3.491  -3.305
    4    HB3  HIS  30           HB3      HIS  30   4.440   4.777  -2.202
    5    HD1  HIS  30           HD1      HIS  30   3.631   6.823  -3.379
    6    HD2  HIS  30           HD2      HIS  30   5.749   4.293  -5.903
    7    HE1  HIS  30           HE1      HIS  30   3.874   8.077  -5.547
    8    HE2  HIS  30           HE2      HIS  30   5.251   6.572  -7.013

  No H/Q in entry =           8
  In of MODEL   29
    1    H    TYR  31           H        TYR  31   5.055   3.755  -0.585
    2    HA   TYR  31           HA       TYR  31   5.249   0.890   0.002
    3    HB2  TYR  31           HB2      TYR  31   6.518   3.133   1.516
    4    HB3  TYR  31           HB3      TYR  31   5.896   1.754   2.416
    5    HD1  TYR  31           HD1      TYR  31   8.318   2.789  -0.176
    6    HD2  TYR  31           HD2      TYR  31   7.054  -0.319   2.439
    7    HE1  TYR  31           HE1      TYR  31  10.391   1.556  -0.651
    8    HE2  TYR  31           HE2      TYR  31   9.123  -1.562   1.973
    9    HH   TYR  31           HH       TYR  31  10.826  -1.619  -0.029

  No H/Q in entry =           9
  In of MODEL   29
    1    H    CYS  32           H        CYS  32   4.005   0.336   2.026
    2    HA   CYS  32           HA       CYS  32   1.498   1.850   2.018
    3    HB2  CYS  32           HB2      CYS  32   1.909  -0.829   1.786
    4    HB3  CYS  32           HB3      CYS  32   1.633  -0.690   3.519

  No H/Q in entry =           4
  In of MODEL   29
    1    H    THR  33           H        THR  33   0.492   2.501   3.950
    2    HA   THR  33           HA       THR  33   2.355   2.787   6.208
    3    HB   THR  33           HB       THR  33   1.236   4.801   6.798
    4    HG1  THR  33           HG1      THR  33  -0.723   4.057   4.891
    5   HG23  THR  33          HG21      THR  33   2.088   6.047   5.183
    6   HG22  THR  33          HG22      THR  33   0.914   5.448   4.012
    7   HG21  THR  33          HG23      THR  33   2.408   4.556   4.298

  No H/Q in entry =           7
  In of MODEL   29
    1    H    GLY  34           H        GLY  34   0.442   0.526   5.555
    2    HA3  GLY  34           HA2      GLY  34  -1.089  -0.810   6.640
    3    HA2  GLY  34           HA3      GLY  34  -0.246  -0.275   8.085

  No H/Q in entry =           3
  In of MODEL   29
    1    H    ARG  35           H        ARG  35  -2.017   1.920   6.014
    2    HA   ARG  35           HA       ARG  35  -4.015   2.226   8.155
    3    HB2  ARG  35           HB2      ARG  35  -2.335   4.141   7.546
    4    HB3  ARG  35           HB3      ARG  35  -3.421   4.401   6.188
    5    HG2  ARG  35           HG2      ARG  35  -4.012   5.877   7.989
    6    HG3  ARG  35           HG3      ARG  35  -5.289   4.679   7.770
    7    HD2  ARG  35           HD2      ARG  35  -4.883   3.681   9.767
    8    HD3  ARG  35           HD3      ARG  35  -3.151   4.006   9.699
    9    HE   ARG  35           HE       ARG  35  -4.237   6.461  10.064
   10   HH11  ARG  35          HH11      ARG  35  -4.566   3.418  11.743
   11   HH12  ARG  35          HH12      ARG  35  -4.868   4.156  13.280
   12   HH21  ARG  35          HH21      ARG  35  -4.634   7.433  12.086
   13   HH22  ARG  35          HH22      ARG  35  -4.908   6.435  13.475

  No H/Q in entry =          13
  In of MODEL   29
    1    H    SER  36           H        SER  36  -3.618   2.811   4.675
    2    HA   SER  36           HA       SER  36  -6.374   1.842   4.286
    3    HB2  SER  36           HB2      SER  36  -6.805   3.501   2.679
    4    HB3  SER  36           HB3      SER  36  -5.930   4.368   3.941
    5    HG   SER  36           HG       SER  36  -4.130   4.387   2.691

  No H/Q in entry =           5
  In of MODEL   29
    1    H    CYS  37           H        CYS  37  -6.719   1.264   1.869
    2    HA   CYS  37           HA       CYS  37  -4.570  -0.581   1.158
    3    HB2  CYS  37           HB2      CYS  37  -7.492  -0.439   0.620
    4    HB3  CYS  37           HB3      CYS  37  -6.484  -1.235  -0.582

  No H/Q in entry =           4
  In of MODEL   29
    1    H    GLU  38           H        GLU  38  -4.939   2.485   0.551
    2    HA   GLU  38           HA       GLU  38  -4.292   2.270  -2.316
    3    HB2  GLU  38           HB2      GLU  38  -5.324   4.741  -0.928
    4    HB3  GLU  38           HB3      GLU  38  -5.177   4.462  -2.658
    5    HG2  GLU  38           HG2      GLU  38  -7.423   4.166  -2.343
    6    HG3  GLU  38           HG3      GLU  38  -6.837   2.509  -2.204

  No H/Q in entry =           6
  In of MODEL   29
    1    H    CYS  39           H        CYS  39  -2.135   2.280  -2.474
    2    HA   CYS  39           HA       CYS  39  -0.287   3.271  -0.685
    3    HB2  CYS  39           HB2      CYS  39   0.092   3.220  -3.685
    4    HB3  CYS  39           HB3      CYS  39   1.347   3.125  -2.453

  No H/Q in entry =           4
  In of MODEL   29
    1    HA   PRO  40           HA       PRO  40  -0.500   7.672  -1.105
    2    HB2  PRO  40           HB2      PRO  40   1.920   8.363  -0.137
    3    HB3  PRO  40           HB3      PRO  40   0.641   7.722   0.900
    4    HG2  PRO  40           HG2      PRO  40   3.007   6.315  -0.277
    5    HG3  PRO  40           HG3      PRO  40   2.340   6.203   1.362
    6    HD2  PRO  40           HD2      PRO  40   1.848   4.354  -0.576
    7    HD3  PRO  40           HD3      PRO  40   0.703   4.721   0.729

  No H/Q in entry =           7
  In of MODEL   29
    1    H    SER  41           H        SER  41   0.970   9.542  -1.906
    2    HA   SER  41           HA       SER  41   1.968   8.756  -4.543
    3    HB2  SER  41           HB2      SER  41   0.203  10.633  -4.081
    4    HB3  SER  41           HB3      SER  41   1.616  11.608  -3.680
    5    HG   SER  41           HG       SER  41   1.714  11.908  -5.756

  No H/Q in entry =           5
  In of MODEL   29
    1    H    TYR  42           H        TYR  42   3.518   8.388  -2.062
    2    HA   TYR  42           HA       TYR  42   5.901   9.873  -2.903
    3    HB2  TYR  42           HB2      TYR  42   6.525  10.330  -0.590
    4    HB3  TYR  42           HB3      TYR  42   4.955  11.042  -0.945
    5    HD1  TYR  42           HD1      TYR  42   6.512   8.009   0.564
    6    HD2  TYR  42           HD2      TYR  42   3.151  10.616   0.462
    7    HE1  TYR  42           HE1      TYR  42   5.553   6.839   2.502
    8    HE2  TYR  42           HE2      TYR  42   2.183   9.453   2.401
    9    HH   TYR  42           HH       TYR  42   3.940   7.324   4.334

  No H/Q in entry =           9
  In of MODEL   29
    1    HA   PRO  43           HA       PRO  43   7.855   5.926  -2.815
    2    HB2  PRO  43           HB2      PRO  43  10.395   6.692  -2.061
    3    HB3  PRO  43           HB3      PRO  43   9.765   6.779  -3.708
    4    HG2  PRO  43           HG2      PRO  43   9.999   8.933  -1.652
    5    HG3  PRO  43           HG3      PRO  43  10.284   9.012  -3.400
    6    HD2  PRO  43           HD2      PRO  43   8.029   9.962  -2.283
    7    HD3  PRO  43           HD3      PRO  43   8.030   9.198  -3.886

  No H/Q in entry =           7
  In of MODEL   29
    1    H    GLY  44           H        GLY  44   9.689   7.580  -0.287
    2    HA3  GLY  44           HA2      GLY  44   8.806   7.132   2.074
    3    HA2  GLY  44           HA3      GLY  44   8.861   5.449   1.571

  No H/Q in entry =           3
  In of MODEL   29
    1    H    ASN  45           H        ASN  45  11.169   8.075   0.961
    2    HA   ASN  45           HA       ASN  45  13.277   6.378   2.080
    3    HB2  ASN  45           HB2      ASN  45  14.831   7.938   0.937
    4    HB3  ASN  45           HB3      ASN  45  13.687   7.188  -0.172
    5   HD21  ASN  45          HD21      ASN  45  14.846   9.307  -1.137
    6   HD22  ASN  45          HD22      ASN  45  13.817  10.695  -1.113

  No H/Q in entry =           6
  In of MODEL   29
    1    H    GLY  46           H        GLY  46  11.402   7.818   3.784
    2    HA3  GLY  46           HA2      GLY  46  12.565   8.521   5.969
    3    HA2  GLY  46           HA3      GLY  46  13.157   9.854   4.989

  No H/Q in entry =           3
  In of MODEL   30
    1    H1   ALA   1           H3       ALA   1 -20.723  -7.154   7.937
    2    H2   ALA   1           H2       ALA   1 -19.913  -7.325   9.440
    3    H3   ALA   1           H1       ALA   1 -21.010  -6.028   9.196
    4    HA   ALA   1           HA       ALA   1 -19.618  -4.892   7.858
    5    HB1  ALA   1           HB1      ALA   1 -18.808  -4.964  10.173
    6    HB3  ALA   1           HB2      ALA   1 -17.488  -4.783   9.019
    7    HB2  ALA   1           HB3      ALA   1 -17.794  -6.349   9.768

  No H/Q in entry =           7
  In of MODEL   30
    1    H    MET   2           H        MET   2 -19.632  -5.689   5.755
    2    HA   MET   2           HA       MET   2 -17.591  -7.697   5.093
    3    HB2  MET   2           HB2      MET   2 -20.149  -6.844   3.805
    4    HB3  MET   2           HB3      MET   2 -18.873  -7.504   2.791
    5    HG2  MET   2           HG2      MET   2 -18.988  -9.590   3.774
    6    HG3  MET   2           HG3      MET   2 -19.747  -8.970   5.239
    7    HE1  MET   2           HE1      MET   2 -21.469 -10.023   5.767
    8    HE3  MET   2           HE2      MET   2 -21.986 -11.289   4.653
    9    HE2  MET   2           HE3      MET   2 -23.061  -9.939   5.013

  No H/Q in entry =           9
  In of MODEL   30
    1    H    ASP   3           H        ASP   3 -15.871  -6.147   5.295
    2    HA   ASP   3           HA       ASP   3 -15.593  -4.503   2.878
    3    HB2  ASP   3           HB2      ASP   3 -14.517  -2.722   4.189
    4    HB3  ASP   3           HB3      ASP   3 -16.177  -2.990   4.714

  No H/Q in entry =           4
  In of MODEL   30
    1    H    CYS   4           H        CYS   4 -13.869  -5.131   1.776
    2    HA   CYS   4           HA       CYS   4 -11.682  -6.471   3.209
    3    HB2  CYS   4           HB2      CYS   4 -12.953  -6.858   0.597
    4    HB3  CYS   4           HB3      CYS   4 -11.195  -6.854   0.521

  No H/Q in entry =           4
  In of MODEL   30
    1    H    THR   5           H        THR   5 -12.454  -3.771   1.136
    2    HA   THR   5           HA       THR   5 -11.274  -1.914   0.548
    3    HB   THR   5           HB       THR   5  -8.884  -2.474   2.167
    4    HG1  THR   5           HG1      THR   5 -11.457  -2.430   3.346
    5   HG23  THR   5          HG21      THR   5  -8.921  -0.281   2.583
    6   HG22  THR   5          HG22      THR   5 -10.657  -0.264   2.898
    7   HG21  THR   5          HG23      THR   5 -10.061  -0.224   1.238

  No H/Q in entry =           7
  In of MODEL   30
    1    H    THR   6           H        THR   6 -10.549  -1.990  -1.473
    2    HA   THR   6           HA       THR   6  -8.270  -3.750  -2.085
    3    HB   THR   6           HB       THR   6  -9.108  -3.391  -4.503
    4    HG1  THR   6           HG1      THR   6 -11.068  -2.585  -4.762
    5   HG22  THR   6          HG21      THR   6 -11.186  -4.873  -3.009
    6   HG21  THR   6          HG22      THR   6  -9.517  -5.423  -2.861
    7   HG23  THR   6          HG23      THR   6 -10.277  -5.327  -4.450

  No H/Q in entry =           7
  In of MODEL   30
    1    H    GLY   7           H        GLY   7  -6.561  -2.977  -3.350
    2    HA3  GLY   7           HA2      GLY   7  -6.212  -0.669  -4.700
    3    HA2  GLY   7           HA3      GLY   7  -6.059  -0.144  -3.030

  No H/Q in entry =           3
  In of MODEL   30
    1    HA   PRO   8           HA       PRO   8  -1.878  -1.519  -4.568
    2    HB2  PRO   8           HB2      PRO   8  -0.523   0.663  -3.695
    3    HB3  PRO   8           HB3      PRO   8  -1.319   0.596  -5.271
    4    HG2  PRO   8           HG2      PRO   8  -2.280   1.832  -2.718
    5    HG3  PRO   8           HG3      PRO   8  -2.352   2.475  -4.369
    6    HD2  PRO   8           HD2      PRO   8  -4.481   1.318  -3.164
    7    HD3  PRO   8           HD3      PRO   8  -4.201   1.212  -4.914

  No H/Q in entry =           7
  In of MODEL   30
    1    H    CYS   9           H        CYS   9  -2.540   0.254  -1.532
    2    HA   CYS   9           HA       CYS   9  -0.468  -0.887  -0.029
    3    HB2  CYS   9           HB2      CYS   9  -2.684   0.853   0.445
    4    HB3  CYS   9           HB3      CYS   9  -2.659  -0.370   1.709

  No H/Q in entry =           4
  In of MODEL   30
    1    H    CYS  10           H        CYS  10  -3.923  -1.627   0.410
    2    HA   CYS  10           HA       CYS  10  -3.565  -3.976   1.844
    3    HB2  CYS  10           HB2      CYS  10  -5.912  -4.549   0.927
    4    HB3  CYS  10           HB3      CYS  10  -5.731  -3.097   1.905

  No H/Q in entry =           4
  In of MODEL   30
    1    H    ARG  11           H        ARG  11  -2.923  -5.962   1.338
    2    HA   ARG  11           HA       ARG  11  -1.891  -6.639  -1.159
    3    HB2  ARG  11           HB2      ARG  11  -1.698  -8.908  -0.303
    4    HB3  ARG  11           HB3      ARG  11  -1.232  -7.747   0.933
    5    HG2  ARG  11           HG2      ARG  11  -3.151  -8.123   2.188
    6    HG3  ARG  11           HG3      ARG  11  -4.018  -8.833   0.825
    7    HD2  ARG  11           HD2      ARG  11  -1.949 -10.547   1.017
    8    HD3  ARG  11           HD3      ARG  11  -2.098 -10.055   2.704
    9    HE   ARG  11           HE       ARG  11  -4.041 -11.252   2.839
   10   HH11  ARG  11          HH11      ARG  11  -3.270 -10.751  -0.528
   11   HH12  ARG  11          HH12      ARG  11  -4.531 -11.790  -1.100
   12   HH21  ARG  11          HH21      ARG  11  -5.699 -12.620   2.088
   13   HH22  ARG  11          HH22      ARG  11  -5.911 -12.852   0.385

  No H/Q in entry =          13
  In of MODEL   30
    1    H    GLN  12           H        GLN  12  -5.087  -6.929   0.115
    2    HA   GLN  12           HA       GLN  12  -6.389  -7.186  -2.300
    3    HB2  GLN  12           HB2      GLN  12  -5.336  -9.354  -2.594
    4    HB3  GLN  12           HB3      GLN  12  -5.861  -9.867  -0.998
    5    HG2  GLN  12           HG2      GLN  12  -7.968 -10.315  -1.683
    6    HG3  GLN  12           HG3      GLN  12  -7.973  -9.023  -2.882
    7   HE21  GLN  12          HE21      GLN  12  -9.069 -11.224  -3.729
    8   HE22  GLN  12          HE22      GLN  12  -8.036 -12.121  -4.784

  No H/Q in entry =           8
  In of MODEL   30
    1    H    CYS  13           H        CYS  13  -6.255  -7.932   1.096
    2    HA   CYS  13           HA       CYS  13  -8.906  -6.846   1.466
    3    HB2  CYS  13           HB2      CYS  13  -9.326  -9.252   0.978
    4    HB3  CYS  13           HB3      CYS  13  -8.338  -9.675   2.372

  No H/Q in entry =           4
  In of MODEL   30
    1    H    LYS  14           H        LYS  14  -6.026  -6.403   2.282
    2    HA   LYS  14           HA       LYS  14  -6.575  -5.591   4.952
    3    HB2  LYS  14           HB2      LYS  14  -6.114  -8.050   5.238
    4    HB3  LYS  14           HB3      LYS  14  -4.485  -7.750   4.650
    5    HG2  LYS  14           HG2      LYS  14  -3.911  -6.490   6.533
    6    HG3  LYS  14           HG3      LYS  14  -5.597  -6.271   7.008
    7    HD2  LYS  14           HD2      LYS  14  -5.410  -8.971   7.042
    8    HD3  LYS  14           HD3      LYS  14  -3.765  -8.523   7.499
    9    HE2  LYS  14           HE2      LYS  14  -6.288  -7.550   8.836
   10    HE3  LYS  14           HE3      LYS  14  -5.223  -8.811   9.454
   11    HZ2  LYS  14           HZ1      LYS  14  -4.830  -6.620  10.470
   12    HZ1  LYS  14           HZ2      LYS  14  -4.389  -6.005   8.957
   13    HZ3  LYS  14           HZ3      LYS  14  -3.460  -7.221   9.678

  No H/Q in entry =          13
  In of MODEL   30
    1    H    LEU  15           H        LEU  15  -5.618  -3.679   5.017
    2    HA   LEU  15           HA       LEU  15  -3.824  -2.614   3.262
    3    HB2  LEU  15           HB2      LEU  15  -3.086  -1.183   5.329
    4    HB3  LEU  15           HB3      LEU  15  -4.701  -1.029   4.665
    5    HG   LEU  15           HG       LEU  15  -4.469  -3.045   6.788
    6   HD13  LEU  15          HD11      LEU  15  -2.920  -1.516   7.756
    7   HD12  LEU  15          HD12      LEU  15  -4.467  -1.300   8.576
    8   HD11  LEU  15          HD13      LEU  15  -3.944  -0.137   7.358
    9   HD23  LEU  15          HD21      LEU  15  -6.420  -1.331   7.517
   10   HD22  LEU  15          HD22      LEU  15  -6.653  -2.664   6.387
   11   HD21  LEU  15          HD23      LEU  15  -6.367  -1.033   5.780

  No H/Q in entry =          11
  In of MODEL   30
    1    H    LYS  16           H        LYS  16  -1.842  -3.201   2.680
    2    HA   LYS  16           HA       LYS  16  -0.284  -5.150   3.735
    3    HB2  LYS  16           HB2      LYS  16   0.234  -2.809   2.024
    4    HB3  LYS  16           HB3      LYS  16   1.657  -3.459   2.825
    5    HG2  LYS  16           HG2      LYS  16   1.400  -5.564   1.800
    6    HG3  LYS  16           HG3      LYS  16  -0.235  -5.183   1.257
    7    HD2  LYS  16           HD2      LYS  16   1.108  -3.190   0.063
    8    HD3  LYS  16           HD3      LYS  16   2.378  -4.415   0.108
    9    HE2  LYS  16           HE2      LYS  16   0.322  -5.912  -0.762
   10    HE3  LYS  16           HE3      LYS  16  -0.147  -4.346  -1.423
   11    HZ1  LYS  16           HZ1      LYS  16   2.628  -5.125  -1.812
   12    HZ3  LYS  16           HZ2      LYS  16   1.563  -4.346  -2.870
   13    HZ2  LYS  16           HZ3      LYS  16   1.480  -6.023  -2.672

  No H/Q in entry =          13
  In of MODEL   30
    1    HA   PRO  17           HA       PRO  17   1.424  -3.876   7.590
    2    HB2  PRO  17           HB2      PRO  17   3.971  -4.877   7.407
    3    HB3  PRO  17           HB3      PRO  17   2.547  -5.858   7.769
    4    HG2  PRO  17           HG2      PRO  17   3.969  -5.470   5.166
    5    HG3  PRO  17           HG3      PRO  17   3.308  -6.957   5.871
    6    HD2  PRO  17           HD2      PRO  17   2.016  -5.610   3.934
    7    HD3  PRO  17           HD3      PRO  17   1.141  -6.443   5.237

  No H/Q in entry =           7
  In of MODEL   30
    1    H    ALA  18           H        ALA  18   2.121  -1.949   8.246
    2    HA   ALA  18           HA       ALA  18   3.168   0.025   6.643
    3    HB3  ALA  18           HB1      ALA  18   2.190   0.144   9.033
    4    HB2  ALA  18           HB2      ALA  18   3.417   1.316   8.553
    5    HB1  ALA  18           HB3      ALA  18   3.862  -0.068   9.552

  No H/Q in entry =           5
  In of MODEL   30
    1    H    GLY  19           H        GLY  19   5.001   0.004   5.519
    2    HA3  GLY  19           HA2      GLY  19   7.417   0.344   5.683
    3    HA2  GLY  19           HA3      GLY  19   7.447  -0.944   6.878

  No H/Q in entry =           3
  In of MODEL   30
    1    H    THR  20           H        THR  20   5.465  -1.234   4.042
    2    HA   THR  20           HA       THR  20   7.459  -2.965   2.762
    3    HB   THR  20           HB       THR  20   4.575  -3.712   3.293
    4    HG1  THR  20           HG1      THR  20   5.819  -4.082   5.095
    5   HG23  THR  20          HG21      THR  20   4.685  -5.377   1.834
    6   HG22  THR  20          HG22      THR  20   6.319  -5.818   2.332
    7   HG21  THR  20          HG23      THR  20   6.074  -4.538   1.144

  No H/Q in entry =           7
  In of MODEL   30
    1    H    THR  21           H        THR  21   7.510  -2.835   0.574
    2    HA   THR  21           HA       THR  21   6.346  -0.669  -0.740
    3    HB   THR  21           HB       THR  21   6.898  -2.735  -2.644
    4    HG1  THR  21           HG1      THR  21   8.954  -2.415  -0.724
    5   HG23  THR  21          HG21      THR  21   7.792  -0.949  -3.582
    6   HG22  THR  21          HG22      THR  21   9.129  -1.065  -2.438
    7   HG21  THR  21          HG23      THR  21   7.728  -0.062  -2.059

  No H/Q in entry =           7
  In of MODEL   30
    1    H    CYS  22           H        CYS  22   4.392  -0.313  -1.544
    2    HA   CYS  22           HA       CYS  22   2.558  -2.598  -1.802
    3    HB2  CYS  22           HB2      CYS  22   0.741  -0.997  -1.497
    4    HB3  CYS  22           HB3      CYS  22   1.878  -0.904  -0.157

  No H/Q in entry =           4
  In of MODEL   30
    1    H    TRP  23           H        TRP  23   3.936   0.142  -3.465
    2    HA   TRP  23           HA       TRP  23   2.290  -0.451  -5.816
    3    HB2  TRP  23           HB2      TRP  23   2.881   1.962  -4.664
    4    HB3  TRP  23           HB3      TRP  23   4.062   1.883  -5.967
    5    HD1  TRP  23           HD1      TRP  23   1.509   0.066  -7.538
    6    HE1  TRP  23           HE1      TRP  23  -0.122   1.536  -8.880
    7    HE3  TRP  23           HE3      TRP  23   2.633   4.606  -5.481
    8    HZ2  TRP  23           HZ2      TRP  23  -0.834   4.256  -9.042
    9    HZ3  TRP  23           HZ3      TRP  23   1.433   6.596  -6.291
   10    HH2  TRP  23           HH2      TRP  23  -0.261   6.420  -8.039

  No H/Q in entry =          10
  In of MODEL   30
    1    H    LYS  24           H        LYS  24   5.581   0.820  -5.467
    2    HA   LYS  24           HA       LYS  24   7.519   0.327  -6.556
    3    HB2  LYS  24           HB2      LYS  24   7.225  -1.796  -5.301
    4    HB3  LYS  24           HB3      LYS  24   6.360  -2.462  -6.679
    5    HG2  LYS  24           HG2      LYS  24   8.246  -2.754  -7.904
    6    HG3  LYS  24           HG3      LYS  24   9.063  -1.366  -7.181
    7    HD2  LYS  24           HD2      LYS  24   8.865  -2.980  -5.029
    8    HD3  LYS  24           HD3      LYS  24   8.977  -4.185  -6.314
    9    HE2  LYS  24           HE2      LYS  24  11.196  -3.888  -5.970
   10    HE3  LYS  24           HE3      LYS  24  10.943  -2.553  -7.093
   11    HZ3  LYS  24           HZ1      LYS  24  12.110  -1.616  -5.334
   12    HZ2  LYS  24           HZ2      LYS  24  11.233  -2.455  -4.156
   13    HZ1  LYS  24           HZ3      LYS  24  10.508  -1.183  -5.003

  No H/Q in entry =          13
  In of MODEL   30
    1    H    THR  25           H        THR  25   5.191   1.198  -8.096
    2    HA   THR  25           HA       THR  25   4.805  -0.158 -10.478
    3    HB   THR  25           HB       THR  25   3.527   1.853  -9.692
    4    HG1  THR  25           HG1      THR  25   4.459   2.351 -12.298
    5   HG23  THR  25          HG21      THR  25   4.408   3.865  -9.481
    6   HG22  THR  25          HG22      THR  25   5.121   3.793 -11.093
    7   HG21  THR  25          HG23      THR  25   5.988   3.121  -9.714

  No H/Q in entry =           7
  In of MODEL   30
    1    H    SER  26           H        SER  26   5.521   0.778 -12.685
    2    HA   SER  26           HA       SER  26   8.237   0.222 -13.015
    3    HB2  SER  26           HB2      SER  26   7.722   1.478 -15.317
    4    HB3  SER  26           HB3      SER  26   7.111  -0.139 -14.970
    5    HG   SER  26           HG       SER  26   5.669   2.236 -14.411

  No H/Q in entry =           5
  In of MODEL   30
    1    H    VAL  27           H        VAL  27   6.737   3.176 -12.084
    2    HA   VAL  27           HA       VAL  27   9.327   4.475 -12.040
    3    HB   VAL  27           HB       VAL  27   7.059   5.814 -13.516
    4   HG12  VAL  27          HG11      VAL  27   9.254   7.160 -14.233
    5   HG11  VAL  27          HG12      VAL  27   9.758   6.635 -12.626
    6   HG13  VAL  27          HG13      VAL  27   8.286   7.588 -12.822
    7   HG22  VAL  27          HG21      VAL  27   7.834   3.989 -14.874
    8   HG21  VAL  27          HG22      VAL  27   9.516   4.437 -14.592
    9   HG23  VAL  27          HG23      VAL  27   8.469   5.494 -15.538

  No H/Q in entry =           9
  In of MODEL   30
    1    H    SER  28           H        SER  28   7.874   3.676  -9.888
    2    HA   SER  28           HA       SER  28   7.770   5.873  -8.244
    3    HB2  SER  28           HB2      SER  28   5.422   5.729  -9.919
    4    HB3  SER  28           HB3      SER  28   4.970   5.547  -8.224
    5    HG   SER  28           HG       SER  28   6.293   7.691  -9.488

  No H/Q in entry =           5
  In of MODEL   30
    1    H    SER  29           H        SER  29   8.654   4.362  -6.842
    2    HA   SER  29           HA       SER  29   6.949   2.133  -6.004
    3    HB2  SER  29           HB2      SER  29   9.763   2.639  -5.047
    4    HB3  SER  29           HB3      SER  29   8.877   1.114  -5.097
    5    HG   SER  29           HG       SER  29   9.875   2.599  -7.299

  No H/Q in entry =           5
  In of MODEL   30
    1    H    HIS  30           H        HIS  30   5.635   2.467  -4.350
    2    HA   HIS  30           HA       HIS  30   6.510   4.280  -2.197
    3    HB2  HIS  30           HB2      HIS  30   3.649   3.730  -3.002
    4    HB3  HIS  30           HB3      HIS  30   4.218   4.931  -1.847
    5    HD1  HIS  30           HD1      HIS  30   3.702   7.115  -2.905
    6    HD2  HIS  30           HD2      HIS  30   5.407   4.446  -5.591
    7    HE1  HIS  30           HE1      HIS  30   4.042   8.422  -5.026
    8    HE2  HIS  30           HE2      HIS  30   5.158   6.811  -6.609

  No H/Q in entry =           8
  In of MODEL   30
    1    H    TYR  31           H        TYR  31   6.049   3.695  -0.067
    2    HA   TYR  31           HA       TYR  31   5.575   0.825   0.300
    3    HB2  TYR  31           HB2      TYR  31   7.013   2.918   1.892
    4    HB3  TYR  31           HB3      TYR  31   6.421   1.468   2.697
    5    HD1  TYR  31           HD1      TYR  31   8.461   2.509  -0.251
    6    HD2  TYR  31           HD2      TYR  31   7.769  -0.415   2.759
    7    HE1  TYR  31           HE1      TYR  31  10.470   1.293  -0.979
    8    HE2  TYR  31           HE2      TYR  31   9.776  -1.639   2.042
    9    HH   TYR  31           HH       TYR  31  12.107  -0.698   0.650

  No H/Q in entry =           9
  In of MODEL   30
    1    H    CYS  32           H        CYS  32   4.193   0.084   2.002
    2    HA   CYS  32           HA       CYS  32   1.840   1.744   2.299
    3    HB2  CYS  32           HB2      CYS  32   1.858  -0.777   1.785
    4    HB3  CYS  32           HB3      CYS  32   2.231  -0.996   3.490

  No H/Q in entry =           4
  In of MODEL   30
    1    H    THR  33           H        THR  33   0.945   2.396   4.257
    2    HA   THR  33           HA       THR  33   2.855   2.491   6.491
    3    HB   THR  33           HB       THR  33   1.856   4.528   7.182
    4    HG1  THR  33           HG1      THR  33  -0.296   4.131   6.960
    5   HG23  THR  33          HG21      THR  33   2.656   5.829   5.578
    6   HG22  THR  33          HG22      THR  33   1.452   5.268   4.417
    7   HG21  THR  33          HG23      THR  33   2.942   4.354   4.654

  No H/Q in entry =           7
  In of MODEL   30
    1    H    GLY  34           H        GLY  34   0.773   0.391   5.704
    2    HA3  GLY  34           HA2      GLY  34  -0.839  -0.907   6.721
    3    HA2  GLY  34           HA3      GLY  34   0.105  -0.592   8.169

  No H/Q in entry =           3
  In of MODEL   30
    1    H    ARG  35           H        ARG  35  -1.957   1.520   6.172
    2    HA   ARG  35           HA       ARG  35  -3.668   1.930   8.525
    3    HB2  ARG  35           HB2      ARG  35  -1.943   3.791   8.063
    4    HB3  ARG  35           HB3      ARG  35  -2.957   4.194   6.685
    5    HG2  ARG  35           HG2      ARG  35  -3.927   5.573   8.173
    6    HG3  ARG  35           HG3      ARG  35  -4.828   4.117   8.602
    7    HD2  ARG  35           HD2      ARG  35  -2.635   3.814  10.149
    8    HD3  ARG  35           HD3      ARG  35  -2.746   5.572  10.095
    9    HE   ARG  35           HE       ARG  35  -4.507   3.767  11.463
   10   HH11  ARG  35          HH11      ARG  35  -4.248   6.916   9.981
   11   HH12  ARG  35          HH12      ARG  35  -5.538   7.599  10.913
   12   HH21  ARG  35          HH21      ARG  35  -6.204   4.664  12.690
   13   HH22  ARG  35          HH22      ARG  35  -6.648   6.321  12.452

  No H/Q in entry =          13
  In of MODEL   30
    1    H    SER  36           H        SER  36  -3.355   2.282   5.018
    2    HA   SER  36           HA       SER  36  -6.051   1.347   4.643
    3    HB2  SER  36           HB2      SER  36  -6.497   3.708   5.104
    4    HB3  SER  36           HB3      SER  36  -5.351   4.184   3.851
    5    HG   SER  36           HG       SER  36  -6.938   4.008   2.503

  No H/Q in entry =           5
  In of MODEL   30
    1    H    CYS  37           H        CYS  37  -6.633   1.533   2.205
    2    HA   CYS  37           HA       CYS  37  -4.555   0.203   0.772
    3    HB2  CYS  37           HB2      CYS  37  -7.278   1.182  -0.099
    4    HB3  CYS  37           HB3      CYS  37  -6.205   0.223  -1.112

  No H/Q in entry =           4
  In of MODEL   30
    1    H    GLU  38           H        GLU  38  -5.543   3.486   1.067
    2    HA   GLU  38           HA       GLU  38  -4.521   4.400  -1.440
    3    HB2  GLU  38           HB2      GLU  38  -6.235   5.647  -0.190
    4    HB3  GLU  38           HB3      GLU  38  -5.079   5.938   1.103
    5    HG2  GLU  38           HG2      GLU  38  -3.898   7.481  -0.108
    6    HG3  GLU  38           HG3      GLU  38  -4.395   6.806  -1.659

  No H/Q in entry =           6
  In of MODEL   30
    1    H    CYS  39           H        CYS  39  -2.416   3.960  -1.830
    2    HA   CYS  39           HA       CYS  39  -0.403   4.156   0.207
    3    HB2  CYS  39           HB2      CYS  39  -0.295   3.657  -2.767
    4    HB3  CYS  39           HB3      CYS  39   1.160   3.795  -1.784

  No H/Q in entry =           4
  In of MODEL   30
    1    HA   PRO  40           HA       PRO  40   0.739   8.405   0.074
    2    HB2  PRO  40           HB2      PRO  40   3.532   7.407  -0.250
    3    HB3  PRO  40           HB3      PRO  40   2.878   8.562   0.917
    4    HG2  PRO  40           HG2      PRO  40   3.446   6.070   1.655
    5    HG3  PRO  40           HG3      PRO  40   2.006   6.897   2.277
    6    HD2  PRO  40           HD2      PRO  40   2.223   4.764   0.204
    7    HD3  PRO  40           HD3      PRO  40   0.949   5.046   1.407

  No H/Q in entry =           7
  In of MODEL   30
    1    H    SER  41           H        SER  41   1.844  10.013  -1.279
    2    HA   SER  41           HA       SER  41   1.965   9.124  -4.081
    3    HB2  SER  41           HB2      SER  41   1.642  11.991  -3.226
    4    HB3  SER  41           HB3      SER  41   1.175  11.232  -4.748
    5    HG   SER  41           HG       SER  41  -0.552  11.704  -3.165

  No H/Q in entry =           5
  In of MODEL   30
    1    H    TYR  42           H        TYR  42   4.176   8.923  -2.203
    2    HA   TYR  42           HA       TYR  42   6.151  10.359  -3.780
    3    HB2  TYR  42           HB2      TYR  42   7.298  11.290  -1.841
    4    HB3  TYR  42           HB3      TYR  42   5.645  11.892  -1.912
    5    HD1  TYR  42           HD1      TYR  42   7.976   9.707  -0.105
    6    HD2  TYR  42           HD2      TYR  42   4.026  11.284  -0.224
    7    HE1  TYR  42           HE1      TYR  42   7.608   8.943   2.204
    8    HE2  TYR  42           HE2      TYR  42   3.648  10.526   2.084
    9    HH   TYR  42           HH       TYR  42   4.539   8.834   3.637

  No H/Q in entry =           9
  In of MODEL   30
    1    HA   PRO  43           HA       PRO  43   8.348   6.567  -3.264
    2    HB2  PRO  43           HB2      PRO  43  10.899   7.397  -3.659
    3    HB3  PRO  43           HB3      PRO  43   9.720   7.271  -4.970
    4    HG2  PRO  43           HG2      PRO  43  10.595   9.689  -3.435
    5    HG3  PRO  43           HG3      PRO  43  10.327   9.507  -5.178
    6    HD2  PRO  43           HD2      PRO  43   8.506  10.654  -3.534
    7    HD3  PRO  43           HD3      PRO  43   8.041   9.730  -4.977

  No H/Q in entry =           7
  In of MODEL   30
    1    H    GLY  44           H        GLY  44   7.982   6.126  -1.063
    2    HA3  GLY  44           HA2      GLY  44   9.285   7.391   1.082
    3    HA2  GLY  44           HA3      GLY  44   8.568   5.788   1.130

  No H/Q in entry =           3
  In of MODEL   30
    1    H    ASN  45           H        ASN  45  11.492   7.615   0.555
    2    HA   ASN  45           HA       ASN  45  13.169   5.616   1.583
    3    HB2  ASN  45           HB2      ASN  45  14.410   5.106  -0.579
    4    HB3  ASN  45           HB3      ASN  45  12.839   4.334  -0.386
    5   HD21  ASN  45          HD21      ASN  45  11.647   4.360  -2.134
    6   HD22  ASN  45          HD22      ASN  45  11.659   5.571  -3.366

  No H/Q in entry =           6
  In of MODEL   30
    1    H    GLY  46           H        GLY  46  12.910   8.343  -0.650
    2    HA3  GLY  46           HA2      GLY  46  14.961   9.754   0.830
    3    HA2  GLY  46           HA3      GLY  46  15.409   9.340  -0.818

  No H/Q in entry =           3
  In of MODEL   31
    1    H1   ALA   1           H3       ALA   1 -16.766   2.115   9.015
    2    H2   ALA   1           H2       ALA   1 -17.596   1.206  10.211
    3    H3   ALA   1           H1       ALA   1 -15.893   1.403  10.307
    4    HA   ALA   1           HA       ALA   1 -16.315  -0.740   9.540
    5    HB2  ALA   1           HB1      ALA   1 -17.841   0.331   7.199
    6    HB1  ALA   1           HB2      ALA   1 -18.657  -0.023   8.722
    7    HB3  ALA   1           HB3      ALA   1 -17.809  -1.305   7.857

  No H/Q in entry =           7
  In of MODEL   31
    1    H    MET   2           H        MET   2 -14.361  -1.239   8.822
    2    HA   MET   2           HA       MET   2 -13.064   0.452   6.832
    3    HB2  MET   2           HB2      MET   2 -12.046  -0.556   9.062
    4    HB3  MET   2           HB3      MET   2 -11.726  -1.936   8.020
    5    HG2  MET   2           HG2      MET   2 -10.913   0.785   7.124
    6    HG3  MET   2           HG3      MET   2  -9.947  -0.055   8.336
    7    HE3  MET   2           HE1      MET   2  -9.871   0.727   4.720
    8    HE2  MET   2           HE2      MET   2  -8.397  -0.224   4.537
    9    HE1  MET   2           HE3      MET   2  -8.573   0.874   5.905

  No H/Q in entry =           9
  In of MODEL   31
    1    H    ASP   3           H        ASP   3 -13.222  -3.078   7.333
    2    HA   ASP   3           HA       ASP   3 -13.400  -4.814   5.876
    3    HB2  ASP   3           HB2      ASP   3 -15.458  -3.200   5.264
    4    HB3  ASP   3           HB3      ASP   3 -14.593  -3.141   3.731

  No H/Q in entry =           4
  In of MODEL   31
    1    H    CYS   4           H        CYS   4 -13.028  -5.319   3.344
    2    HA   CYS   4           HA       CYS   4 -10.288  -4.790   2.894
    3    HB2  CYS   4           HB2      CYS   4 -12.239  -5.789   0.820
    4    HB3  CYS   4           HB3      CYS   4 -10.509  -6.102   0.917

  No H/Q in entry =           4
  In of MODEL   31
    1    H    THR   5           H        THR   5  -9.406  -3.852   0.870
    2    HA   THR   5           HA       THR   5 -11.018  -1.816  -0.421
    3    HB   THR   5           HB       THR   5  -8.564  -1.103   1.195
    4    HG1  THR   5           HG1      THR   5  -9.945  -0.059   2.514
    5   HG23  THR   5          HG21      THR   5  -8.328   0.728  -0.011
    6   HG22  THR   5          HG22      THR   5  -9.994   1.183   0.344
    7   HG21  THR   5          HG23      THR   5  -9.632   0.204  -1.077

  No H/Q in entry =           7
  In of MODEL   31
    1    H    THR   6           H        THR   6 -10.525  -3.377  -2.135
    2    HA   THR   6           HA       THR   6  -8.116  -4.174  -3.101
    3    HB   THR   6           HB       THR   6  -9.290  -3.709  -5.447
    4    HG1  THR   6           HG1      THR   6 -11.134  -2.774  -5.188
    5   HG22  THR   6          HG21      THR   6  -9.572  -5.892  -5.334
    6   HG23  THR   6          HG22      THR   6 -10.973  -5.660  -4.289
    7   HG21  THR   6          HG23      THR   6  -9.367  -5.839  -3.583

  No H/Q in entry =           7
  In of MODEL   31
    1    H    GLY   7           H        GLY   7  -6.300  -3.148  -3.568
    2    HA3  GLY   7           HA2      GLY   7  -6.272  -0.843  -5.283
    3    HA2  GLY   7           HA3      GLY   7  -5.844  -0.456  -3.623

  No H/Q in entry =           3
  In of MODEL   31
    1    HA   PRO   8           HA       PRO   8  -2.003  -1.765  -5.940
    2    HB2  PRO   8           HB2      PRO   8  -0.473   0.337  -5.140
    3    HB3  PRO   8           HB3      PRO   8  -1.487   0.375  -6.587
    4    HG2  PRO   8           HG2      PRO   8  -2.031   1.480  -3.862
    5    HG3  PRO   8           HG3      PRO   8  -2.347   2.207  -5.447
    6    HD2  PRO   8           HD2      PRO   8  -4.284   1.014  -3.980
    7    HD3  PRO   8           HD3      PRO   8  -4.285   0.997  -5.755

  No H/Q in entry =           7
  In of MODEL   31
    1    H    CYS   9           H        CYS   9  -2.777  -0.896  -2.668
    2    HA   CYS   9           HA       CYS   9  -0.330  -2.177  -1.676
    3    HB2  CYS   9           HB2      CYS   9  -0.905   0.036  -0.734
    4    HB3  CYS   9           HB3      CYS   9  -2.432  -0.620  -0.157

  No H/Q in entry =           4
  In of MODEL   31
    1    H    CYS  10           H        CYS  10  -3.826  -2.455  -1.673
    2    HA   CYS  10           HA       CYS  10  -4.123  -4.462   0.252
    3    HB2  CYS  10           HB2      CYS  10  -5.764  -3.140  -1.655
    4    HB3  CYS  10           HB3      CYS  10  -6.009  -4.869  -1.862

  No H/Q in entry =           4
  In of MODEL   31
    1    H    ARG  11           H        ARG  11  -4.118  -6.695   0.156
    2    HA   ARG  11           HA       ARG  11  -2.818  -7.834  -2.222
    3    HB2  ARG  11           HB2      ARG  11  -2.489  -9.785  -0.404
    4    HB3  ARG  11           HB3      ARG  11  -1.347  -8.467  -0.615
    5    HG2  ARG  11           HG2      ARG  11  -2.050  -7.377   1.306
    6    HG3  ARG  11           HG3      ARG  11  -3.601  -8.218   1.335
    7    HD2  ARG  11           HD2      ARG  11  -0.884  -9.334   1.997
    8    HD3  ARG  11           HD3      ARG  11  -2.256  -9.124   3.083
    9    HE   ARG  11           HE       ARG  11  -3.204 -10.795   1.166
   10   HH11  ARG  11          HH11      ARG  11  -0.410 -10.856   3.257
   11   HH12  ARG  11          HH12      ARG  11  -0.349 -12.584   3.333
   12   HH21  ARG  11          HH21      ARG  11  -3.125 -13.069   1.265
   13   HH22  ARG  11          HH22      ARG  11  -1.889 -13.842   2.201

  No H/Q in entry =          13
  In of MODEL   31
    1    H    GLN  12           H        GLN  12  -4.541  -9.594   0.307
    2    HA   GLN  12           HA       GLN  12  -6.253 -10.746  -1.775
    3    HB2  GLN  12           HB2      GLN  12  -5.273 -11.694   0.884
    4    HB3  GLN  12           HB3      GLN  12  -6.797 -12.326   0.275
    5    HG2  GLN  12           HG2      GLN  12  -4.522 -12.358  -1.603
    6    HG3  GLN  12           HG3      GLN  12  -4.421 -13.449  -0.221
    7   HE21  GLN  12          HE21      GLN  12  -5.070 -13.554  -3.285
    8   HE22  GLN  12          HE22      GLN  12  -6.379 -14.679  -3.343

  No H/Q in entry =           8
  In of MODEL   31
    1    H    CYS  13           H        CYS  13  -6.302  -8.954   1.215
    2    HA   CYS  13           HA       CYS  13  -8.710  -7.684   0.794
    3    HB2  CYS  13           HB2      CYS  13  -9.179 -10.370   1.480
    4    HB3  CYS  13           HB3      CYS  13  -9.541  -9.443   2.932

  No H/Q in entry =           4
  In of MODEL   31
    1    H    LYS  14           H        LYS  14  -6.114  -7.213   1.901
    2    HA   LYS  14           HA       LYS  14  -6.845  -5.662   4.161
    3    HB2  LYS  14           HB2      LYS  14  -6.711  -7.879   5.249
    4    HB3  LYS  14           HB3      LYS  14  -5.051  -8.039   4.692
    5    HG2  LYS  14           HG2      LYS  14  -4.293  -6.336   6.117
    6    HG3  LYS  14           HG3      LYS  14  -5.931  -5.757   6.429
    7    HD2  LYS  14           HD2      LYS  14  -6.428  -7.552   7.831
    8    HD3  LYS  14           HD3      LYS  14  -5.112  -8.538   7.190
    9    HE2  LYS  14           HE2      LYS  14  -3.551  -6.767   8.174
   10    HE3  LYS  14           HE3      LYS  14  -4.961  -6.198   9.068
   11    HZ1  LYS  14           HZ1      LYS  14  -4.262  -9.049   9.174
   12    HZ3  LYS  14           HZ2      LYS  14  -5.037  -8.089  10.331
   13    HZ2  LYS  14           HZ3      LYS  14  -3.367  -7.953  10.102

  No H/Q in entry =          13
  In of MODEL   31
    1    H    LEU  15           H        LEU  15  -5.594  -3.921   4.097
    2    HA   LEU  15           HA       LEU  15  -3.674  -3.380   2.261
    3    HB2  LEU  15           HB2      LEU  15  -2.742  -1.727   4.052
    4    HB3  LEU  15           HB3      LEU  15  -4.327  -1.489   3.355
    5    HG   LEU  15           HG       LEU  15  -4.012  -1.163   5.891
    6   HD13  LEU  15          HD11      LEU  15  -6.226  -1.199   5.972
    7   HD12  LEU  15          HD12      LEU  15  -6.291  -2.937   5.681
    8   HD11  LEU  15          HD13      LEU  15  -6.181  -1.819   4.321
    9   HD21  LEU  15          HD21      LEU  15  -4.185  -4.170   5.786
   10   HD23  LEU  15          HD22      LEU  15  -4.373  -3.185   7.234
   11   HD22  LEU  15          HD23      LEU  15  -2.830  -3.213   6.382

  No H/Q in entry =          11
  In of MODEL   31
    1    H    LYS  16           H        LYS  16  -1.639  -3.907   1.861
    2    HA   LYS  16           HA       LYS  16  -0.325  -5.976   3.113
    3    HB2  LYS  16           HB2      LYS  16   0.508  -3.791   1.279
    4    HB3  LYS  16           HB3      LYS  16   1.789  -4.669   2.103
    5    HG2  LYS  16           HG2      LYS  16   1.252  -6.677   1.069
    6    HG3  LYS  16           HG3      LYS  16  -0.373  -6.134   0.644
    7    HD2  LYS  16           HD2      LYS  16   0.920  -4.348  -0.768
    8    HD3  LYS  16           HD3      LYS  16   2.242  -5.512  -0.657
    9    HE2  LYS  16           HE2      LYS  16  -0.473  -6.439  -1.481
   10    HE3  LYS  16           HE3      LYS  16   0.552  -5.610  -2.651
   11    HZ2  LYS  16           HZ1      LYS  16   0.758  -8.070  -2.659
   12    HZ1  LYS  16           HZ2      LYS  16   1.416  -7.989  -1.103
   13    HZ3  LYS  16           HZ3      LYS  16   2.223  -7.263  -2.400

  No H/Q in entry =          13
  In of MODEL   31
    1    HA   PRO  17           HA       PRO  17   1.583  -4.592   6.828
    2    HB2  PRO  17           HB2      PRO  17   4.232  -5.284   6.472
    3    HB3  PRO  17           HB3      PRO  17   2.959  -6.402   6.974
    4    HG2  PRO  17           HG2      PRO  17   4.135  -5.958   4.262
    5    HG3  PRO  17           HG3      PRO  17   3.663  -7.477   5.046
    6    HD2  PRO  17           HD2      PRO  17   2.123  -6.324   3.175
    7    HD3  PRO  17           HD3      PRO  17   1.415  -7.171   4.566

  No H/Q in entry =           7
  In of MODEL   31
    1    H    ALA  18           H        ALA  18   2.424  -2.744   7.650
    2    HA   ALA  18           HA       ALA  18   2.980  -0.552   6.041
    3    HB1  ALA  18           HB1      ALA  18   4.069  -0.856   8.826
    4    HB3  ALA  18           HB2      ALA  18   2.356  -0.587   8.505
    5    HB2  ALA  18           HB3      ALA  18   3.546   0.615   8.006

  No H/Q in entry =           5
  In of MODEL   31
    1    H    GLY  19           H        GLY  19   4.999   0.672   5.819
    2    HA3  GLY  19           HA2      GLY  19   7.193   0.842   5.160
    3    HA2  GLY  19           HA3      GLY  19   7.538  -0.406   6.349

  No H/Q in entry =           3
  In of MODEL   31
    1    H    THR  20           H        THR  20   5.293  -0.998   3.765
    2    HA   THR  20           HA       THR  20   7.316  -2.642   2.394
    3    HB   THR  20           HB       THR  20   4.397  -3.346   2.751
    4    HG1  THR  20           HG1      THR  20   4.987  -4.114   4.593
    5   HG23  THR  20          HG21      THR  20   4.727  -5.268   1.612
    6   HG22  THR  20          HG22      THR  20   6.436  -5.362   2.040
    7   HG21  THR  20          HG23      THR  20   5.904  -4.256   0.773

  No H/Q in entry =           7
  In of MODEL   31
    1    H    THR  21           H        THR  21   7.489  -2.319   0.259
    2    HA   THR  21           HA       THR  21   6.309  -0.171  -1.028
    3    HB   THR  21           HB       THR  21   6.937  -2.151  -2.990
    4    HG1  THR  21           HG1      THR  21   8.644  -3.118  -2.224
    5   HG21  THR  21          HG21      THR  21   8.138   0.385  -2.021
    6   HG23  THR  21          HG22      THR  21   7.523  -0.041  -3.618
    7   HG22  THR  21          HG23      THR  21   9.084  -0.663  -3.079

  No H/Q in entry =           7
  In of MODEL   31
    1    H    CYS  22           H        CYS  22   4.249   0.160  -1.493
    2    HA   CYS  22           HA       CYS  22   2.568  -2.152  -2.176
    3    HB2  CYS  22           HB2      CYS  22   0.671  -0.486  -1.705
    4    HB3  CYS  22           HB3      CYS  22   1.583  -1.096  -0.330

  No H/Q in entry =           4
  In of MODEL   31
    1    H    TRP  23           H        TRP  23   4.314  -0.944  -4.112
    2    HA   TRP  23           HA       TRP  23   2.425  -0.571  -6.200
    3    HB2  TRP  23           HB2      TRP  23   2.706   1.720  -4.892
    4    HB3  TRP  23           HB3      TRP  23   4.134   1.850  -5.914
    5    HD1  TRP  23           HD1      TRP  23   1.777   0.043  -7.956
    6    HE1  TRP  23           HE1      TRP  23   0.492   1.605  -9.546
    7    HE3  TRP  23           HE3      TRP  23   2.880   4.520  -5.762
    8    HZ2  TRP  23           HZ2      TRP  23   0.006   4.361  -9.826
    9    HZ3  TRP  23           HZ3      TRP  23   1.969   6.577  -6.758
   10    HH2  TRP  23           HH2      TRP  23   0.565   6.496  -8.753

  No H/Q in entry =          10
  In of MODEL   31
    1    H    LYS  24           H        LYS  24   5.687   0.732  -5.681
    2    HA   LYS  24           HA       LYS  24   7.569   0.566  -6.967
    3    HB2  LYS  24           HB2      LYS  24   8.488  -1.626  -7.085
    4    HB3  LYS  24           HB3      LYS  24   7.552  -1.536  -5.602
    5    HG2  LYS  24           HG2      LYS  24   6.128  -2.572  -7.969
    6    HG3  LYS  24           HG3      LYS  24   7.421  -3.582  -7.326
    7    HD2  LYS  24           HD2      LYS  24   6.322  -3.987  -5.372
    8    HD3  LYS  24           HD3      LYS  24   5.501  -2.426  -5.383
    9    HE2  LYS  24           HE2      LYS  24   3.691  -3.612  -5.969
   10    HE3  LYS  24           HE3      LYS  24   4.421  -3.632  -7.574
   11    HZ1  LYS  24           HZ1      LYS  24   5.584  -5.736  -6.762
   12    HZ3  LYS  24           HZ2      LYS  24   3.938  -5.846  -7.135
   13    HZ2  LYS  24           HZ3      LYS  24   4.434  -5.754  -5.521

  No H/Q in entry =          13
  In of MODEL   31
    1    H    THR  25           H        THR  25   5.140   1.091  -8.429
    2    HA   THR  25           HA       THR  25   4.740  -0.349 -10.737
    3    HB   THR  25           HB       THR  25   4.715   2.563 -11.154
    4    HG1  THR  25           HG1      THR  25   3.807   3.103  -9.365
    5   HG23  THR  25          HG21      THR  25   3.341   1.453 -12.626
    6   HG22  THR  25          HG22      THR  25   2.207   1.984 -11.384
    7   HG21  THR  25          HG23      THR  25   2.775   0.314 -11.405

  No H/Q in entry =           7
  In of MODEL   31
    1    H    SER  26           H        SER  26   5.302   0.517 -13.016
    2    HA   SER  26           HA       SER  26   8.182   0.442 -13.242
    3    HB2  SER  26           HB2      SER  26   5.962   0.450 -15.295
    4    HB3  SER  26           HB3      SER  26   7.673   0.427 -15.724
    5    HG   SER  26           HG       SER  26   7.871  -1.538 -14.627

  No H/Q in entry =           5
  In of MODEL   31
    1    H    VAL  27           H        VAL  27   7.752   2.694 -11.971
    2    HA   VAL  27           HA       VAL  27   8.939   4.688 -13.479
    3    HB   VAL  27           HB       VAL  27   6.824   4.825 -14.722
    4   HG13  VAL  27          HG11      VAL  27   4.760   5.474 -13.676
    5   HG12  VAL  27          HG12      VAL  27   5.550   5.609 -12.104
    6   HG11  VAL  27          HG13      VAL  27   5.373   4.030 -12.870
    7   HG23  VAL  27          HG21      VAL  27   6.902   7.279 -13.015
    8   HG22  VAL  27          HG22      VAL  27   6.691   7.135 -14.760
    9   HG21  VAL  27          HG23      VAL  27   8.278   6.865 -14.038

  No H/Q in entry =           9
  In of MODEL   31
    1    H    SER  28           H        SER  28   6.717   3.922 -10.873
    2    HA   SER  28           HA       SER  28   8.264   5.649  -9.093
    3    HB2  SER  28           HB2      SER  28   6.029   6.699 -10.034
    4    HB3  SER  28           HB3      SER  28   5.287   5.677  -8.803
    5    HG   SER  28           HG       SER  28   6.713   7.987  -8.526

  No H/Q in entry =           5
  In of MODEL   31
    1    H    SER  29           H        SER  29   8.635   4.763  -7.147
    2    HA   SER  29           HA       SER  29   7.121   2.335  -6.435
    3    HB2  SER  29           HB2      SER  29   9.194   1.592  -5.242
    4    HB3  SER  29           HB3      SER  29   9.402   1.730  -6.988
    5    HG   SER  29           HG       SER  29  10.131   3.730  -5.111

  No H/Q in entry =           5
  In of MODEL   31
    1    H    HIS  30           H        HIS  30   5.799   2.731  -4.798
    2    HA   HIS  30           HA       HIS  30   6.651   4.648  -2.731
    3    HB2  HIS  30           HB2      HIS  30   3.831   3.841  -3.464
    4    HB3  HIS  30           HB3      HIS  30   4.301   5.097  -2.321
    5    HD1  HIS  30           HD1      HIS  30   3.455   7.156  -3.463
    6    HD2  HIS  30           HD2      HIS  30   5.676   4.734  -6.009
    7    HE1  HIS  30           HE1      HIS  30   3.724   8.476  -5.588
    8    HE2  HIS  30           HE2      HIS  30   5.181   7.046  -7.056

  No H/Q in entry =           8
  In of MODEL   31
    1    H    TYR  31           H        TYR  31   5.671   4.248  -0.556
    2    HA   TYR  31           HA       TYR  31   5.675   1.363   0.050
    3    HB2  TYR  31           HB2      TYR  31   6.942   3.696   1.413
    4    HB3  TYR  31           HB3      TYR  31   6.368   2.364   2.411
    5    HD1  TYR  31           HD1      TYR  31   7.904   0.738   2.933
    6    HD2  TYR  31           HD2      TYR  31   8.343   2.851  -0.732
    7    HE1  TYR  31           HE1      TYR  31   9.974  -0.505   2.473
    8    HE2  TYR  31           HE2      TYR  31  10.415   1.614  -1.204
    9    HH   TYR  31           HH       TYR  31  11.487  -0.493  -0.574

  No H/Q in entry =           9
  In of MODEL   31
    1    H    CYS  32           H        CYS  32   4.336   0.666   1.829
    2    HA   CYS  32           HA       CYS  32   1.924   2.310   2.065
    3    HB2  CYS  32           HB2      CYS  32   2.169  -0.333   1.456
    4    HB3  CYS  32           HB3      CYS  32   1.884  -0.413   3.192

  No H/Q in entry =           4
  In of MODEL   31
    1    H    THR  33           H        THR  33   0.733   1.909   4.241
    2    HA   THR  33           HA       THR  33   2.682   2.212   6.430
    3    HB   THR  33           HB       THR  33   1.484   3.996   7.351
    4    HG1  THR  33           HG1      THR  33  -0.587   3.462   7.367
    5   HG21  THR  33          HG21      THR  33   1.191   4.331   4.375
    6   HG23  THR  33          HG22      THR  33   2.572   4.807   5.363
    7   HG22  THR  33          HG23      THR  33   1.020   5.620   5.567

  No H/Q in entry =           7
  In of MODEL   31
    1    H    GLY  34           H        GLY  34   0.842  -0.038   5.351
    2    HA3  GLY  34           HA2      GLY  34  -0.453  -1.722   6.224
    3    HA2  GLY  34           HA3      GLY  34   0.422  -1.401   7.713

  No H/Q in entry =           3
  In of MODEL   31
    1    H    ARG  35           H        ARG  35  -1.564   1.076   6.299
    2    HA   ARG  35           HA       ARG  35  -3.551   0.639   8.430
    3    HB2  ARG  35           HB2      ARG  35  -2.198   2.652   8.812
    4    HB3  ARG  35           HB3      ARG  35  -2.647   3.259   7.223
    5    HG2  ARG  35           HG2      ARG  35  -4.885   3.597   7.871
    6    HG3  ARG  35           HG3      ARG  35  -4.681   2.648   9.345
    7    HD2  ARG  35           HD2      ARG  35  -3.363   4.319  10.359
    8    HD3  ARG  35           HD3      ARG  35  -3.128   5.168   8.832
    9    HE   ARG  35           HE       ARG  35  -5.870   5.098   9.426
   10   HH11  ARG  35          HH11      ARG  35  -2.923   6.579  10.566
   11   HH12  ARG  35          HH12      ARG  35  -3.722   7.981  11.192
   12   HH21  ARG  35          HH21      ARG  35  -6.924   6.942  10.248
   13   HH22  ARG  35          HH22      ARG  35  -5.994   8.188  11.012

  No H/Q in entry =          13
  In of MODEL   31
    1    H    SER  36           H        SER  36  -3.044   1.820   5.144
    2    HA   SER  36           HA       SER  36  -5.817   1.076   4.523
    3    HB2  SER  36           HB2      SER  36  -5.304   3.643   4.784
    4    HB3  SER  36           HB3      SER  36  -4.598   3.460   3.178
    5    HG   SER  36           HG       SER  36  -6.562   2.853   2.383

  No H/Q in entry =           5
  In of MODEL   31
    1    H    CYS  37           H        CYS  37  -6.190   0.534   2.286
    2    HA   CYS  37           HA       CYS  37  -3.904  -0.793   1.122
    3    HB2  CYS  37           HB2      CYS  37  -6.823  -0.697   0.361
    4    HB3  CYS  37           HB3      CYS  37  -5.615  -1.565  -0.578

  No H/Q in entry =           4
  In of MODEL   31
    1    H    GLU  38           H        GLU  38  -4.945   2.302   0.987
    2    HA   GLU  38           HA       GLU  38  -4.515   2.706  -1.863
    3    HB2  GLU  38           HB2      GLU  38  -5.478   4.409   0.397
    4    HB3  GLU  38           HB3      GLU  38  -4.828   5.189  -1.038
    5    HG2  GLU  38           HG2      GLU  38  -7.216   5.036  -1.214
    6    HG3  GLU  38           HG3      GLU  38  -6.469   3.978  -2.412

  No H/Q in entry =           6
  In of MODEL   31
    1    H    CYS  39           H        CYS  39  -2.336   2.221  -2.120
    2    HA   CYS  39           HA       CYS  39  -0.182   2.946  -0.597
    3    HB2  CYS  39           HB2      CYS  39  -0.341   1.612  -2.843
    4    HB3  CYS  39           HB3      CYS  39   0.004   3.170  -3.585

  No H/Q in entry =           4
  In of MODEL   31
    1    HA   PRO  40           HA       PRO  40  -0.507   7.433  -0.437
    2    HB2  PRO  40           HB2      PRO  40   2.376   7.030   0.241
    3    HB3  PRO  40           HB3      PRO  40   1.164   8.043   1.037
    4    HG2  PRO  40           HG2      PRO  40   1.891   5.718   2.104
    5    HG3  PRO  40           HG3      PRO  40   0.199   6.248   2.145
    6    HD2  PRO  40           HD2      PRO  40   1.493   4.168   0.452
    7    HD3  PRO  40           HD3      PRO  40  -0.158   4.233   1.100

  No H/Q in entry =           7
  In of MODEL   31
    1    H    SER  41           H        SER  41   0.807   9.277  -1.333
    2    HA   SER  41           HA       SER  41   1.722   8.558  -4.019
    3    HB2  SER  41           HB2      SER  41   0.483  10.964  -2.795
    4    HB3  SER  41           HB3      SER  41   1.629  11.243  -4.107
    5    HG   SER  41           HG       SER  41  -0.870  10.021  -4.149

  No H/Q in entry =           5
  In of MODEL   31
    1    H    TYR  42           H        TYR  42   3.372   8.263  -1.562
    2    HA   TYR  42           HA       TYR  42   5.626   9.944  -2.430
    3    HB2  TYR  42           HB2      TYR  42   6.375  10.133  -0.117
    4    HB3  TYR  42           HB3      TYR  42   4.740  10.765  -0.279
    5    HD1  TYR  42           HD1      TYR  42   6.579   7.665   0.684
    6    HD2  TYR  42           HD2      TYR  42   3.084  10.041   1.182
    7    HE1  TYR  42           HE1      TYR  42   5.834   6.181   2.497
    8    HE2  TYR  42           HE2      TYR  42   2.331   8.563   2.996
    9    HH   TYR  42           HH       TYR  42   3.769   6.881   4.718

  No H/Q in entry =           9
  In of MODEL   31
    1    HA   PRO  43           HA       PRO  43   7.865   6.197  -3.010
    2    HB2  PRO  43           HB2      PRO  43  10.381   7.050  -2.259
    3    HB3  PRO  43           HB3      PRO  43   9.660   7.312  -3.850
    4    HG2  PRO  43           HG2      PRO  43   9.845   9.173  -1.521
    5    HG3  PRO  43           HG3      PRO  43  10.026   9.516  -3.251
    6    HD2  PRO  43           HD2      PRO  43   7.773  10.120  -1.915
    7    HD3  PRO  43           HD3      PRO  43   7.741   9.580  -3.607

  No H/Q in entry =           7
  In of MODEL   31
    1    H    GLY  44           H        GLY  44   9.679   7.635  -0.337
    2    HA3  GLY  44           HA2      GLY  44   8.943   5.288   1.301
    3    HA2  GLY  44           HA3      GLY  44  10.556   5.984   1.296

  No H/Q in entry =           3
  In of MODEL   31
    1    H    ASN  45           H        ASN  45  11.013   7.684   2.609
    2    HA   ASN  45           HA       ASN  45  10.794   9.143   4.339
    3    HB2  ASN  45           HB2      ASN  45   8.953   9.934   2.514
    4    HB3  ASN  45           HB3      ASN  45   7.910   9.628   3.899
    5   HD21  ASN  45          HD21      ASN  45   9.986  11.805   2.413
    6   HD22  ASN  45          HD22      ASN  45  10.131  12.942   3.705

  No H/Q in entry =           6
  In of MODEL   31
    1    H    GLY  46           H        GLY  46   8.867   9.725   6.153
    2    HA3  GLY  46           HA2      GLY  46   7.114   8.155   7.282
    3    HA2  GLY  46           HA3      GLY  46   8.529   7.134   7.487

  No H/Q in entry =           3
  In of MODEL   32
    1    H1   ALA   1           H3       ALA   1 -20.508  -5.456   3.703
    2    H2   ALA   1           H2       ALA   1 -20.078  -6.559   2.459
    3    H3   ALA   1           H1       ALA   1 -21.726  -6.347   2.890
    4    HA   ALA   1           HA       ALA   1 -21.460  -7.375   4.913
    5    HB1  ALA   1           HB1      ALA   1 -20.266  -8.712   2.554
    6    HB3  ALA   1           HB2      ALA   1 -21.690  -9.140   3.503
    7    HB2  ALA   1           HB3      ALA   1 -20.078  -9.506   4.118

  No H/Q in entry =           7
  In of MODEL   32
    1    H    MET   2           H        MET   2 -18.269  -7.098   3.359
    2    HA   MET   2           HA       MET   2 -17.093  -6.712   6.017
    3    HB2  MET   2           HB2      MET   2 -16.286  -8.743   3.960
    4    HB3  MET   2           HB3      MET   2 -15.095  -8.087   5.076
    5    HG2  MET   2           HG2      MET   2 -16.084  -9.061   6.917
    6    HG3  MET   2           HG3      MET   2 -17.650  -9.218   6.122
    7    HE3  MET   2           HE1      MET   2 -14.200 -10.760   4.240
    8    HE2  MET   2           HE2      MET   2 -13.934 -11.772   5.660
    9    HE1  MET   2           HE3      MET   2 -14.031 -10.020   5.832

  No H/Q in entry =           9
  In of MODEL   32
    1    H    ASP   3           H        ASP   3 -15.337  -5.337   6.092
    2    HA   ASP   3           HA       ASP   3 -14.981  -3.671   3.728
    3    HB2  ASP   3           HB2      ASP   3 -14.301  -3.348   6.639
    4    HB3  ASP   3           HB3      ASP   3 -13.590  -2.290   5.424

  No H/Q in entry =           4
  In of MODEL   32
    1    H    CYS   4           H        CYS   4 -13.425  -4.174   2.344
    2    HA   CYS   4           HA       CYS   4 -11.003  -5.503   3.346
    3    HB2  CYS   4           HB2      CYS   4 -12.378  -5.479   0.677
    4    HB3  CYS   4           HB3      CYS   4 -10.671  -5.894   0.790

  No H/Q in entry =           4
  In of MODEL   32
    1    H    THR   5           H        THR   5 -12.180  -2.630   1.797
    2    HA   THR   5           HA       THR   5 -11.176  -0.678   1.201
    3    HB   THR   5           HB       THR   5  -8.617  -1.408   2.538
    4    HG1  THR   5           HG1      THR   5 -11.077  -1.076   3.902
    5   HG22  THR   5          HG21      THR   5 -10.298   0.986   3.119
    6   HG21  THR   5          HG22      THR   5  -9.315   0.914   1.657
    7   HG23  THR   5          HG23      THR   5  -8.551   0.784   3.241

  No H/Q in entry =           7
  In of MODEL   32
    1    H    THR   6           H        THR   6 -11.204  -2.209  -0.827
    2    HA   THR   6           HA       THR   6  -8.843  -3.226  -1.901
    3    HB   THR   6           HB       THR   6 -10.154  -2.501  -4.141
    4    HG1  THR   6           HG1      THR   6 -12.005  -1.674  -3.669
    5   HG21  THR   6          HG21      THR   6 -10.005  -4.826  -2.574
    6   HG23  THR   6          HG22      THR   6 -10.477  -4.680  -4.268
    7   HG22  THR   6          HG23      THR   6 -11.702  -4.605  -3.002

  No H/Q in entry =           7
  In of MODEL   32
    1    H    GLY   7           H        GLY   7  -7.008  -2.187  -2.232
    2    HA3  GLY   7           HA2      GLY   7  -6.918   0.151  -3.898
    3    HA2  GLY   7           HA3      GLY   7  -6.515   0.499  -2.223

  No H/Q in entry =           3
  In of MODEL   32
    1    HA   PRO   8           HA       PRO   8  -2.839  -1.105  -4.897
    2    HB2  PRO   8           HB2      PRO   8  -1.340   1.196  -4.410
    3    HB3  PRO   8           HB3      PRO   8  -2.191   0.817  -5.906
    4    HG2  PRO   8           HG2      PRO   8  -3.023   2.569  -3.644
    5    HG3  PRO   8           HG3      PRO   8  -3.298   2.768  -5.383
    6    HD2  PRO   8           HD2      PRO   8  -5.247   1.942  -3.733
    7    HD3  PRO   8           HD3      PRO   8  -5.104   1.318  -5.390

  No H/Q in entry =           7
  In of MODEL   32
    1    H    CYS   9           H        CYS   9  -3.319   0.425  -1.780
    2    HA   CYS   9           HA       CYS   9  -0.867  -0.788  -0.726
    3    HB2  CYS   9           HB2      CYS   9  -2.289   1.583  -0.110
    4    HB3  CYS   9           HB3      CYS   9  -2.426   0.539   1.297

  No H/Q in entry =           4
  In of MODEL   32
    1    H    CYS  10           H        CYS  10  -3.496  -2.156  -1.520
    2    HA   CYS  10           HA       CYS  10  -3.873  -3.641   0.999
    3    HB2  CYS  10           HB2      CYS  10  -5.796  -2.155  -0.357
    4    HB3  CYS  10           HB3      CYS  10  -6.114  -3.807  -0.861

  No H/Q in entry =           4
  In of MODEL   32
    1    H    ARG  11           H        ARG  11  -3.145  -5.672   0.817
    2    HA   ARG  11           HA       ARG  11  -2.325  -6.834  -1.597
    3    HB2  ARG  11           HB2      ARG  11  -1.369  -7.582   0.479
    4    HB3  ARG  11           HB3      ARG  11  -2.941  -8.083   1.082
    5    HG2  ARG  11           HG2      ARG  11  -3.032  -9.921  -0.390
    6    HG3  ARG  11           HG3      ARG  11  -1.686  -9.311  -1.354
    7    HD2  ARG  11           HD2      ARG  11  -0.124 -10.072   0.099
    8    HD3  ARG  11           HD3      ARG  11  -1.140  -9.779   1.510
    9    HE   ARG  11           HE       ARG  11  -1.806 -11.954   1.403
   10   HH11  ARG  11          HH11      ARG  11  -0.590 -11.031  -1.736
   11   HH12  ARG  11          HH12      ARG  11  -0.737 -12.623  -2.399
   12   HH21  ARG  11          HH21      ARG  11  -2.001 -14.049   0.531
   13   HH22  ARG  11          HH22      ARG  11  -1.539 -14.337  -1.113

  No H/Q in entry =          13
  In of MODEL   32
    1    H    GLN  12           H        GLN  12  -4.632  -8.648   0.333
    2    HA   GLN  12           HA       GLN  12  -6.343  -8.882  -2.053
    3    HB2  GLN  12           HB2      GLN  12  -5.017 -10.933  -1.007
    4    HB3  GLN  12           HB3      GLN  12  -6.391 -10.957   0.090
    5    HG2  GLN  12           HG2      GLN  12  -7.815 -10.927  -2.059
    6    HG3  GLN  12           HG3      GLN  12  -6.325 -11.423  -2.861
    7   HE21  GLN  12          HE21      GLN  12  -7.471 -13.364  -3.408
    8   HE22  GLN  12          HE22      GLN  12  -7.603 -14.643  -2.255

  No H/Q in entry =           8
  In of MODEL   32
    1    H    CYS  13           H        CYS  13  -6.155  -8.285   1.352
    2    HA   CYS  13           HA       CYS  13  -8.483  -6.812   1.551
    3    HB2  CYS  13           HB2      CYS  13  -9.648  -8.960   1.100
    4    HB3  CYS  13           HB3      CYS  13  -8.893  -9.649   2.532

  No H/Q in entry =           4
  In of MODEL   32
    1    H    LYS  14           H        LYS  14  -5.817  -6.770   2.502
    2    HA   LYS  14           HA       LYS  14  -6.335  -6.299   5.304
    3    HB2  LYS  14           HB2      LYS  14  -4.637  -8.547   4.342
    4    HB3  LYS  14           HB3      LYS  14  -4.064  -7.631   5.729
    5    HG2  LYS  14           HG2      LYS  14  -6.191  -8.089   6.880
    6    HG3  LYS  14           HG3      LYS  14  -6.702  -9.065   5.501
    7    HD2  LYS  14           HD2      LYS  14  -5.369 -10.797   6.068
    8    HD3  LYS  14           HD3      LYS  14  -4.068  -9.745   6.630
    9    HE2  LYS  14           HE2      LYS  14  -5.020 -11.042   8.468
   10    HE3  LYS  14           HE3      LYS  14  -5.292  -9.315   8.693
   11    HZ2  LYS  14           HZ1      LYS  14  -7.208 -11.066   9.012
   12    HZ1  LYS  14           HZ2      LYS  14  -7.376 -10.859   7.342
   13    HZ3  LYS  14           HZ3      LYS  14  -7.518  -9.529   8.377

  No H/Q in entry =          13
  In of MODEL   32
    1    H    LEU  15           H        LEU  15  -5.502  -4.376   5.689
    2    HA   LEU  15           HA       LEU  15  -3.954  -2.840   4.058
    3    HB2  LEU  15           HB2      LEU  15  -5.118  -2.405   6.405
    4    HB3  LEU  15           HB3      LEU  15  -3.474  -2.591   6.983
    5    HG   LEU  15           HG       LEU  15  -4.353  -0.590   4.902
    6   HD12  LEU  15          HD11      LEU  15  -3.340   0.453   7.408
    7   HD11  LEU  15          HD12      LEU  15  -4.800  -0.509   7.633
    8   HD13  LEU  15          HD13      LEU  15  -4.810   0.862   6.524
    9   HD22  LEU  15          HD21      LEU  15  -2.159  -0.726   4.399
   10   HD21  LEU  15          HD22      LEU  15  -1.739  -1.460   5.947
   11   HD23  LEU  15          HD23      LEU  15  -1.981   0.284   5.834

  No H/Q in entry =          11
  In of MODEL   32
    1    H    LYS  16           H        LYS  16  -2.029  -3.218   3.198
    2    HA   LYS  16           HA       LYS  16  -0.197  -5.120   3.966
    3    HB2  LYS  16           HB2      LYS  16  -0.040  -2.638   2.327
    4    HB3  LYS  16           HB3      LYS  16   1.473  -3.405   2.792
    5    HG2  LYS  16           HG2      LYS  16   1.041  -5.309   1.562
    6    HG3  LYS  16           HG3      LYS  16  -0.702  -5.032   1.551
    7    HD2  LYS  16           HD2      LYS  16  -0.346  -3.083   0.073
    8    HD3  LYS  16           HD3      LYS  16   1.378  -3.456   0.035
    9    HE2  LYS  16           HE2      LYS  16   0.355  -5.849  -0.664
   10    HE3  LYS  16           HE3      LYS  16  -0.884  -4.779  -1.319
   11    HZ3  LYS  16           HZ1      LYS  16   0.653  -5.028  -3.032
   12    HZ2  LYS  16           HZ2      LYS  16   1.989  -4.899  -2.003
   13    HZ1  LYS  16           HZ3      LYS  16   1.059  -3.531  -2.355

  No H/Q in entry =          13
  In of MODEL   32
    1    HA   PRO  17           HA       PRO  17   1.698  -3.628   7.672
    2    HB2  PRO  17           HB2      PRO  17   4.195  -4.727   7.374
    3    HB3  PRO  17           HB3      PRO  17   2.776  -5.626   7.920
    4    HG2  PRO  17           HG2      PRO  17   4.000  -5.489   5.194
    5    HG3  PRO  17           HG3      PRO  17   3.349  -6.892   6.061
    6    HD2  PRO  17           HD2      PRO  17   1.954  -5.650   4.128
    7    HD3  PRO  17           HD3      PRO  17   1.157  -6.347   5.554

  No H/Q in entry =           7
  In of MODEL   32
    1    H    ALA  18           H        ALA  18   2.368  -1.619   8.031
    2    HA   ALA  18           HA       ALA  18   3.372   0.184   6.266
    3    HB1  ALA  18           HB1      ALA  18   4.386   0.323   9.063
    4    HB3  ALA  18           HB2      ALA  18   2.648   0.409   8.775
    5    HB2  ALA  18           HB3      ALA  18   3.723   1.597   8.038

  No H/Q in entry =           5
  In of MODEL   32
    1    H    GLY  19           H        GLY  19   5.432   1.046   5.775
    2    HA3  GLY  19           HA2      GLY  19   7.716   1.017   5.449
    3    HA2  GLY  19           HA3      GLY  19   7.838  -0.192   6.718

  No H/Q in entry =           3
  In of MODEL   32
    1    H    THR  20           H        THR  20   5.631  -0.902   4.200
    2    HA   THR  20           HA       THR  20   7.625  -2.607   2.868
    3    HB   THR  20           HB       THR  20   4.787  -3.350   3.607
    4    HG1  THR  20           HG1      THR  20   5.882  -4.951   4.853
    5   HG22  THR  20          HG21      THR  20   6.489  -5.505   2.696
    6   HG21  THR  20          HG22      THR  20   6.189  -4.307   1.438
    7   HG23  THR  20          HG23      THR  20   4.834  -5.096   2.244

  No H/Q in entry =           7
  In of MODEL   32
    1    H    THR  21           H        THR  21   7.786  -2.150   0.778
    2    HA   THR  21           HA       THR  21   6.302  -0.275  -0.588
    3    HB   THR  21           HB       THR  21   8.455  -1.057  -1.391
    4    HG1  THR  21           HG1      THR  21   7.202  -0.181  -2.994
    5   HG23  THR  21          HG21      THR  21   8.936  -3.201  -1.466
    6   HG22  THR  21          HG22      THR  21   7.830  -3.363  -2.832
    7   HG21  THR  21          HG23      THR  21   7.249  -3.631  -1.187

  No H/Q in entry =           7
  In of MODEL   32
    1    H    CYS  22           H        CYS  22   4.356  -0.208  -1.430
    2    HA   CYS  22           HA       CYS  22   2.808  -2.695  -1.618
    3    HB2  CYS  22           HB2      CYS  22   0.840  -1.167  -1.619
    4    HB3  CYS  22           HB3      CYS  22   1.829  -1.026  -0.169

  No H/Q in entry =           4
  In of MODEL   32
    1    H    TRP  23           H        TRP  23   3.686   0.219  -3.390
    2    HA   TRP  23           HA       TRP  23   2.252  -0.637  -5.747
    3    HB2  TRP  23           HB2      TRP  23   2.734   1.808  -4.802
    4    HB3  TRP  23           HB3      TRP  23   4.141   1.653  -5.848
    5    HD1  TRP  23           HD1      TRP  23   2.082  -0.231  -7.866
    6    HE1  TRP  23           HE1      TRP  23   0.693   1.142  -9.542
    7    HE3  TRP  23           HE3      TRP  23   2.451   4.353  -5.655
    8    HZ2  TRP  23           HZ2      TRP  23  -0.141   3.810  -9.871
    9    HZ3  TRP  23           HZ3      TRP  23   1.331   6.270  -6.717
   10    HH2  TRP  23           HH2      TRP  23   0.067   5.996  -8.788

  No H/Q in entry =          10
  In of MODEL   32
    1    H    LYS  24           H        LYS  24   5.576   0.561  -5.476
    2    HA   LYS  24           HA       LYS  24   7.495  -0.055  -6.531
    3    HB2  LYS  24           HB2      LYS  24   6.623  -2.230  -5.173
    4    HB3  LYS  24           HB3      LYS  24   6.689  -2.884  -6.804
    5    HG2  LYS  24           HG2      LYS  24   8.954  -1.612  -5.282
    6    HG3  LYS  24           HG3      LYS  24   8.761  -3.324  -5.665
    7    HD2  LYS  24           HD2      LYS  24   8.900  -2.793  -8.058
    8    HD3  LYS  24           HD3      LYS  24   9.118  -1.088  -7.660
    9    HE2  LYS  24           HE2      LYS  24  11.169  -1.677  -6.416
   10    HE3  LYS  24           HE3      LYS  24  10.961  -3.356  -6.913
   11    HZ1  LYS  24           HZ1      LYS  24  10.969  -1.367  -9.038
   12    HZ3  LYS  24           HZ2      LYS  24  11.645  -2.917  -9.003
   13    HZ2  LYS  24           HZ3      LYS  24  12.446  -1.629  -8.255

  No H/Q in entry =          13
  In of MODEL   32
    1    H    THR  25           H        THR  25   5.011   0.546  -8.121
    2    HA   THR  25           HA       THR  25   4.791  -1.029 -10.395
    3    HB   THR  25           HB       THR  25   3.224   0.786  -9.882
    4    HG1  THR  25           HG1      THR  25   4.485   1.377 -12.343
    5   HG21  THR  25          HG21      THR  25   5.530   2.374  -9.654
    6   HG23  THR  25          HG22      THR  25   3.847   2.842  -9.414
    7   HG22  THR  25          HG23      THR  25   4.591   3.006 -11.005

  No H/Q in entry =           7
  In of MODEL   32
    1    H    SER  26           H        SER  26   5.488  -0.351 -12.648
    2    HA   SER  26           HA       SER  26   8.369  -0.098 -12.642
    3    HB2  SER  26           HB2      SER  26   6.363  -0.607 -14.846
    4    HB3  SER  26           HB3      SER  26   8.100  -0.478 -15.127
    5    HG   SER  26           HG       SER  26   8.230  -2.479 -14.543

  No H/Q in entry =           5
  In of MODEL   32
    1    H    VAL  27           H        VAL  27   7.681   2.226 -11.715
    2    HA   VAL  27           HA       VAL  27   8.704   4.111 -13.488
    3    HB   VAL  27           HB       VAL  27   6.591   3.872 -14.709
    4   HG11  VAL  27          HG11      VAL  27   5.325   4.729 -12.112
    5   HG13  VAL  27          HG12      VAL  27   5.121   3.183 -12.935
    6   HG12  VAL  27          HG13      VAL  27   4.487   4.659 -13.663
    7   HG21  VAL  27          HG21      VAL  27   7.787   6.061 -14.575
    8   HG23  VAL  27          HG22      VAL  27   6.674   6.529 -13.289
    9   HG22  VAL  27          HG23      VAL  27   6.061   6.195 -14.909

  No H/Q in entry =           9
  In of MODEL   32
    1    H    SER  28           H        SER  28   6.602   3.510 -10.746
    2    HA   SER  28           HA       SER  28   8.048   5.479  -9.187
    3    HB2  SER  28           HB2      SER  28   6.035   6.607 -10.356
    4    HB3  SER  28           HB3      SER  28   5.045   5.688  -9.222
    5    HG   SER  28           HG       SER  28   6.315   6.677  -7.533

  No H/Q in entry =           5
  In of MODEL   32
    1    H    SER  29           H        SER  29   8.720   3.983  -7.714
    2    HA   SER  29           HA       SER  29   6.841   2.083  -6.582
    3    HB2  SER  29           HB2      SER  29   9.738   2.567  -5.842
    4    HB3  SER  29           HB3      SER  29   8.758   1.170  -5.398
    5    HG   SER  29           HG       SER  29   9.865   1.860  -7.880

  No H/Q in entry =           5
  In of MODEL   32
    1    H    HIS  30           H        HIS  30   6.427   1.912  -4.295
    2    HA   HIS  30           HA       HIS  30   6.986   4.305  -2.708
    3    HB2  HIS  30           HB2      HIS  30   4.190   3.239  -3.155
    4    HB3  HIS  30           HB3      HIS  30   4.625   4.529  -2.039
    5    HD1  HIS  30           HD1      HIS  30   4.274   6.794  -2.956
    6    HD2  HIS  30           HD2      HIS  30   5.003   4.009  -5.949
    7    HE1  HIS  30           HE1      HIS  30   4.083   8.066  -5.118
    8    HE2  HIS  30           HE2      HIS  30   4.438   6.341  -6.919

  No H/Q in entry =           8
  In of MODEL   32
    1    H    TYR  31           H        TYR  31   5.549   3.848  -0.495
    2    HA   TYR  31           HA       TYR  31   6.011   1.086   0.336
    3    HB2  TYR  31           HB2      TYR  31   7.483   3.466   1.289
    4    HB3  TYR  31           HB3      TYR  31   6.917   2.366   2.542
    5    HD1  TYR  31           HD1      TYR  31   7.613  -0.060   2.422
    6    HD2  TYR  31           HD2      TYR  31   9.380   2.949  -0.010
    7    HE1  TYR  31           HE1      TYR  31   9.531  -1.538   1.999
    8    HE2  TYR  31           HE2      TYR  31  11.305   1.480  -0.439
    9    HH   TYR  31           HH       TYR  31  11.362  -1.619  -0.116

  No H/Q in entry =           9
  In of MODEL   32
    1    H    CYS  32           H        CYS  32   4.336   0.330   1.484
    2    HA   CYS  32           HA       CYS  32   2.142   2.027   2.119
    3    HB2  CYS  32           HB2      CYS  32   2.346  -0.624   1.677
    4    HB3  CYS  32           HB3      CYS  32   2.332  -0.628   3.436

  No H/Q in entry =           4
  In of MODEL   32
    1    H    THR  33           H        THR  33   1.475   2.844   4.068
    2    HA   THR  33           HA       THR  33   3.498   2.844   6.185
    3    HB   THR  33           HB       THR  33   2.557   4.882   6.954
    4    HG1  THR  33           HG1      THR  33   0.348   4.234   5.311
    5   HG22  THR  33          HG21      THR  33   1.968   5.545   4.178
    6   HG21  THR  33          HG22      THR  33   3.520   4.739   4.411
    7   HG23  THR  33          HG23      THR  33   3.159   6.227   5.286

  No H/Q in entry =           7
  In of MODEL   32
    1    H    GLY  34           H        GLY  34   1.360   0.745   5.574
    2    HA3  GLY  34           HA2      GLY  34  -0.168  -0.543   6.728
    3    HA2  GLY  34           HA3      GLY  34   0.895  -0.228   8.088

  No H/Q in entry =           3
  In of MODEL   32
    1    H    ARG  35           H        ARG  35  -0.835   2.361   6.521
    2    HA   ARG  35           HA       ARG  35  -2.559   2.575   8.901
    3    HB2  ARG  35           HB2      ARG  35  -1.182   4.651   7.234
    4    HB3  ARG  35           HB3      ARG  35  -2.644   5.066   8.118
    5    HG2  ARG  35           HG2      ARG  35  -1.303   3.930  10.107
    6    HG3  ARG  35           HG3      ARG  35   0.070   4.436   9.120
    7    HD2  ARG  35           HD2      ARG  35  -0.325   6.645   9.461
    8    HD3  ARG  35           HD3      ARG  35  -2.073   6.431   9.542
    9    HE   ARG  35           HE       ARG  35  -1.893   6.275  11.809
   10   HH11  ARG  35          HH11      ARG  35   1.238   5.620  10.413
   11   HH12  ARG  35          HH12      ARG  35   2.042   5.539  11.944
   12   HH21  ARG  35          HH21      ARG  35  -0.836   6.169  13.824
   13   HH22  ARG  35          HH22      ARG  35   0.865   5.850  13.881

  No H/Q in entry =          13
  In of MODEL   32
    1    H    SER  36           H        SER  36  -2.424   2.584   5.424
    2    HA   SER  36           HA       SER  36  -5.326   2.359   5.326
    3    HB2  SER  36           HB2      SER  36  -4.490   4.816   4.951
    4    HB3  SER  36           HB3      SER  36  -4.028   4.216   3.359
    5    HG   SER  36           HG       SER  36  -6.531   4.692   4.415

  No H/Q in entry =           5
  In of MODEL   32
    1    H    CYS  37           H        CYS  37  -6.010   1.858   2.972
    2    HA   CYS  37           HA       CYS  37  -4.096  -0.108   1.938
    3    HB2  CYS  37           HB2      CYS  37  -7.066   0.057   2.002
    4    HB3  CYS  37           HB3      CYS  37  -6.326  -0.772   0.639

  No H/Q in entry =           4
  In of MODEL   32
    1    H    GLU  38           H        GLU  38  -4.330   2.902   1.393
    2    HA   GLU  38           HA       GLU  38  -4.280   2.672  -1.543
    3    HB2  GLU  38           HB2      GLU  38  -5.143   5.153  -0.060
    4    HB3  GLU  38           HB3      GLU  38  -5.282   4.822  -1.781
    5    HG2  GLU  38           HG2      GLU  38  -7.026   3.284  -1.454
    6    HG3  GLU  38           HG3      GLU  38  -6.717   3.182   0.279

  No H/Q in entry =           6
  In of MODEL   32
    1    H    CYS  39           H        CYS  39  -2.152   2.678  -1.974
    2    HA   CYS  39           HA       CYS  39  -0.112   3.834  -0.512
    3    HB2  CYS  39           HB2      CYS  39  -0.117   3.506  -3.519
    4    HB3  CYS  39           HB3      CYS  39   1.287   3.544  -2.456

  No H/Q in entry =           4
  In of MODEL   32
    1    HA   PRO  40           HA       PRO  40  -0.500   8.173  -1.313
    2    HB2  PRO  40           HB2      PRO  40   1.953   8.997  -0.572
    3    HB3  PRO  40           HB3      PRO  40   0.767   8.416   0.602
    4    HG2  PRO  40           HG2      PRO  40   3.097   6.979  -0.607
    5    HG3  PRO  40           HG3      PRO  40   2.533   6.982   1.074
    6    HD2  PRO  40           HD2      PRO  40   1.985   4.977  -0.700
    7    HD3  PRO  40           HD3      PRO  40   0.934   5.390   0.669

  No H/Q in entry =           7
  In of MODEL   32
    1    H    SER  41           H        SER  41   0.860   9.983  -2.393
    2    HA   SER  41           HA       SER  41   1.719   8.954  -4.997
    3    HB2  SER  41           HB2      SER  41  -0.071  10.842  -4.584
    4    HB3  SER  41           HB3      SER  41   1.351  11.874  -4.437
    5    HG   SER  41           HG       SER  41   0.313  10.575  -6.660

  No H/Q in entry =           5
  In of MODEL   32
    1    H    TYR  42           H        TYR  42   3.487   8.717  -2.766
    2    HA   TYR  42           HA       TYR  42   5.783  10.066  -3.894
    3    HB2  TYR  42           HB2      TYR  42   6.499  11.154  -1.871
    4    HB3  TYR  42           HB3      TYR  42   4.857  11.683  -2.222
    5    HD1  TYR  42           HD1      TYR  42   6.823   9.332  -0.125
    6    HD2  TYR  42           HD2      TYR  42   3.152  11.423  -0.627
    7    HE1  TYR  42           HE1      TYR  42   6.133   8.650   2.134
    8    HE2  TYR  42           HE2      TYR  42   2.452  10.747   1.631
    9    HH   TYR  42           HH       TYR  42   3.829   8.319   3.335

  No H/Q in entry =           9
  In of MODEL   32
    1    HA   PRO  43           HA       PRO  43   7.586   6.210  -2.685
    2    HB2  PRO  43           HB2      PRO  43  10.205   6.816  -2.912
    3    HB3  PRO  43           HB3      PRO  43   9.151   6.643  -4.321
    4    HG2  PRO  43           HG2      PRO  43  10.067   9.137  -2.936
    5    HG3  PRO  43           HG3      PRO  43   9.968   8.796  -4.674
    6    HD2  PRO  43           HD2      PRO  43   8.082  10.226  -3.338
    7    HD3  PRO  43           HD3      PRO  43   7.709   9.225  -4.756

  No H/Q in entry =           7
  In of MODEL   32
    1    H    GLY  44           H        GLY  44   8.496   5.187  -0.917
    2    HA3  GLY  44           HA2      GLY  44   8.850   6.890   1.445
    3    HA2  GLY  44           HA3      GLY  44   8.528   5.163   1.458

  No H/Q in entry =           3
  In of MODEL   32
    1    H    ASN  45           H        ASN  45  10.849   7.478   1.943
    2    HA   ASN  45           HA       ASN  45  12.906   5.525   2.302
    3    HB2  ASN  45           HB2      ASN  45  12.889   6.132  -0.222
    4    HB3  ASN  45           HB3      ASN  45  13.594   7.659   0.300
    5   HD21  ASN  45          HD21      ASN  45  14.327   4.727  -0.873
    6   HD22  ASN  45          HD22      ASN  45  15.931   4.540  -0.259

  No H/Q in entry =           6
  In of MODEL   32
    1    H    GLY  46           H        GLY  46  12.173   8.978   1.936
    2    HA3  GLY  46           HA2      GLY  46  13.630   9.455   4.446
    3    HA2  GLY  46           HA3      GLY  46  13.999  10.441   3.038

  No H/Q in entry =           3
  In of MODEL   33
    1    H1   ALA   1           H3       ALA   1 -18.546  -2.851   9.862
    2    H2   ALA   1           H2       ALA   1 -18.256  -1.194  10.204
    3    H3   ALA   1           H1       ALA   1 -18.322  -1.738   8.578
    4    HA   ALA   1           HA       ALA   1 -16.109  -1.490   8.984
    5    HB1  ALA   1           HB1      ALA   1 -16.747  -1.530  11.593
    6    HB2  ALA   1           HB2      ALA   1 -15.095  -1.677  10.993
    7    HB3  ALA   1           HB3      ALA   1 -16.003  -3.121  11.440

  No H/Q in entry =           7
  In of MODEL   33
    1    H    MET   2           H        MET   2 -17.737  -3.422   7.650
    2    HA   MET   2           HA       MET   2 -15.867  -5.689   7.662
    3    HB2  MET   2           HB2      MET   2 -18.302  -5.993   8.719
    4    HB3  MET   2           HB3      MET   2 -18.721  -6.241   7.030
    5    HG2  MET   2           HG2      MET   2 -17.548  -8.190   6.877
    6    HG3  MET   2           HG3      MET   2 -16.404  -7.731   8.136
    7    HE3  MET   2           HE1      MET   2 -17.745 -10.801   8.150
    8    HE2  MET   2           HE2      MET   2 -17.712 -10.805   9.913
    9    HE1  MET   2           HE3      MET   2 -16.413 -10.027   9.008

  No H/Q in entry =           9
  In of MODEL   33
    1    H    ASP   3           H        ASP   3 -14.853  -4.721   5.855
    2    HA   ASP   3           HA       ASP   3 -16.362  -5.080   3.358
    3    HB2  ASP   3           HB2      ASP   3 -14.537  -2.764   4.032
    4    HB3  ASP   3           HB3      ASP   3 -15.171  -3.094   2.423

  No H/Q in entry =           4
  In of MODEL   33
    1    H    CYS   4           H        CYS   4 -14.607  -4.800   1.459
    2    HA   CYS   4           HA       CYS   4 -12.709  -6.934   1.942
    3    HB2  CYS   4           HB2      CYS   4 -14.209  -6.116  -0.261
    4    HB3  CYS   4           HB3      CYS   4 -12.551  -5.707  -0.689

  No H/Q in entry =           4
  In of MODEL   33
    1    H    THR   5           H        THR   5 -12.668  -3.510   1.117
    2    HA   THR   5           HA       THR   5 -11.024  -1.939   1.156
    3    HB   THR   5           HB       THR   5  -9.457  -3.804   2.929
    4    HG1  THR   5           HG1      THR   5 -10.768  -3.358   4.569
    5   HG22  THR   5          HG21      THR   5  -9.456  -1.274   4.015
    6   HG21  THR   5          HG22      THR   5  -9.309  -0.989   2.281
    7   HG23  THR   5          HG23      THR   5  -8.146  -2.027   3.106

  No H/Q in entry =           7
  In of MODEL   33
    1    H    THR   6           H        THR   6 -10.782  -2.781  -1.138
    2    HA   THR   6           HA       THR   6  -8.255  -4.171  -1.601
    3    HB   THR   6           HB       THR   6  -9.055  -3.984  -4.046
    4    HG1  THR   6           HG1      THR   6 -10.667  -2.560  -4.023
    5   HG22  THR   6          HG21      THR   6 -11.019  -5.532  -2.429
    6   HG21  THR   6          HG22      THR   6  -9.317  -5.995  -2.425
    7   HG23  THR   6          HG23      THR   6 -10.217  -5.958  -3.941

  No H/Q in entry =           7
  In of MODEL   33
    1    H    GLY   7           H        GLY   7  -6.731  -3.324  -3.196
    2    HA3  GLY   7           HA2      GLY   7  -6.614  -0.933  -4.429
    3    HA2  GLY   7           HA3      GLY   7  -6.291  -0.494  -2.758

  No H/Q in entry =           3
  In of MODEL   33
    1    HA   PRO   8           HA       PRO   8  -2.316  -1.733  -4.965
    2    HB2  PRO   8           HB2      PRO   8  -0.982   0.591  -4.496
    3    HB3  PRO   8           HB3      PRO   8  -1.976   0.321  -5.932
    4    HG2  PRO   8           HG2      PRO   8  -2.657   1.771  -3.402
    5    HG3  PRO   8           HG3      PRO   8  -3.000   2.228  -5.080
    6    HD2  PRO   8           HD2      PRO   8  -4.864   1.110  -3.477
    7    HD3  PRO   8           HD3      PRO   8  -4.816   0.812  -5.226

  No H/Q in entry =           7
  In of MODEL   33
    1    H    CYS   9           H        CYS   9  -3.124  -0.296  -1.881
    2    HA   CYS   9           HA       CYS   9  -0.666  -1.418  -0.716
    3    HB2  CYS   9           HB2      CYS   9  -0.989   0.985  -0.335
    4    HB3  CYS   9           HB3      CYS   9  -2.547   0.664   0.412

  No H/Q in entry =           4
  In of MODEL   33
    1    H    CYS  10           H        CYS  10  -2.339  -3.372  -1.250
    2    HA   CYS  10           HA       CYS  10  -2.855  -4.581   1.212
    3    HB2  CYS  10           HB2      CYS  10  -5.458  -4.715   0.769
    4    HB3  CYS  10           HB3      CYS  10  -4.760  -3.394   1.700

  No H/Q in entry =           4
  In of MODEL   33
    1    H    ARG  11           H        ARG  11  -2.374  -6.591   0.710
    2    HA   ARG  11           HA       ARG  11  -2.798  -7.615  -1.952
    3    HB2  ARG  11           HB2      ARG  11  -0.844  -8.079  -0.216
    4    HB3  ARG  11           HB3      ARG  11  -1.919  -9.374   0.291
    5    HG2  ARG  11           HG2      ARG  11  -1.439  -9.151  -2.609
    6    HG3  ARG  11           HG3      ARG  11  -0.063  -9.646  -1.621
    7    HD2  ARG  11           HD2      ARG  11  -2.624 -10.979  -1.024
    8    HD3  ARG  11           HD3      ARG  11  -1.913 -11.352  -2.594
    9    HE   ARG  11           HE       ARG  11  -1.031 -12.294  -0.076
   10   HH11  ARG  11          HH11      ARG  11   0.173 -11.197  -3.163
   11   HH12  ARG  11          HH12      ARG  11   1.634 -12.122  -3.062
   12   HH21  ARG  11          HH21      ARG  11   0.890 -13.511   0.058
   13   HH22  ARG  11          HH22      ARG  11   2.041 -13.436  -1.235

  No H/Q in entry =          13
  In of MODEL   33
    1    H    GLN  12           H        GLN  12  -4.672  -8.375  -2.575
    2    HA   GLN  12           HA       GLN  12  -6.781  -9.232  -2.531
    3    HB2  GLN  12           HB2      GLN  12  -5.728 -11.297  -0.640
    4    HB3  GLN  12           HB3      GLN  12  -6.920 -11.471  -1.917
    5    HG2  GLN  12           HG2      GLN  12  -5.285 -11.423  -3.602
    6    HG3  GLN  12           HG3      GLN  12  -4.053 -10.813  -2.498
    7   HE21  GLN  12          HE21      GLN  12  -5.064 -13.468  -4.111
    8   HE22  GLN  12          HE22      GLN  12  -4.373 -14.702  -3.120

  No H/Q in entry =           8
  In of MODEL   33
    1    H    CYS  13           H        CYS  13  -7.810  -7.612  -1.461
    2    HA   CYS  13           HA       CYS  13  -8.818  -6.466   0.277
    3    HB2  CYS  13           HB2      CYS  13  -9.839  -9.286   0.650
    4    HB3  CYS  13           HB3      CYS  13 -10.622  -7.831   1.257

  No H/Q in entry =           4
  In of MODEL   33
    1    H    LYS  14           H        LYS  14  -6.352  -6.691   1.241
    2    HA   LYS  14           HA       LYS  14  -6.815  -7.115   4.066
    3    HB2  LYS  14           HB2      LYS  14  -5.998  -9.319   3.057
    4    HB3  LYS  14           HB3      LYS  14  -4.462  -8.504   2.796
    5    HG2  LYS  14           HG2      LYS  14  -4.259  -9.700   4.819
    6    HG3  LYS  14           HG3      LYS  14  -4.433  -7.999   5.259
    7    HD2  LYS  14           HD2      LYS  14  -5.980  -8.808   6.691
    8    HD3  LYS  14           HD3      LYS  14  -7.020  -8.762   5.265
    9    HE2  LYS  14           HE2      LYS  14  -7.044 -11.016   5.044
   10    HE3  LYS  14           HE3      LYS  14  -5.387 -11.197   5.618
   11    HZ2  LYS  14           HZ1      LYS  14  -7.879 -11.208   7.111
   12    HZ1  LYS  14           HZ2      LYS  14  -6.586 -10.405   7.848
   13    HZ3  LYS  14           HZ3      LYS  14  -6.432 -12.031   7.412

  No H/Q in entry =          13
  In of MODEL   33
    1    H    LEU  15           H        LEU  15  -6.149  -5.261   4.918
    2    HA   LEU  15           HA       LEU  15  -4.607  -3.315   3.764
    3    HB2  LEU  15           HB2      LEU  15  -5.189  -4.042   6.596
    4    HB3  LEU  15           HB3      LEU  15  -3.968  -2.823   6.288
    5    HG   LEU  15           HG       LEU  15  -6.866  -2.706   5.455
    6   HD13  LEU  15          HD11      LEU  15  -6.627  -2.259   7.788
    7   HD12  LEU  15          HD12      LEU  15  -6.861  -0.718   6.963
    8   HD11  LEU  15          HD13      LEU  15  -5.250  -1.195   7.498
    9   HD22  LEU  15          HD21      LEU  15  -5.693  -1.640   3.721
   10   HD21  LEU  15          HD22      LEU  15  -4.534  -0.916   4.836
   11   HD23  LEU  15          HD23      LEU  15  -6.200  -0.339   4.798

  No H/Q in entry =          11
  In of MODEL   33
    1    H    LYS  16           H        LYS  16  -2.692  -3.657   2.827
    2    HA   LYS  16           HA       LYS  16  -0.836  -5.602   3.514
    3    HB2  LYS  16           HB2      LYS  16  -0.864  -3.212   1.803
    4    HB3  LYS  16           HB3      LYS  16   0.734  -3.672   2.375
    5    HG2  LYS  16           HG2      LYS  16  -0.293  -6.070   1.568
    6    HG3  LYS  16           HG3      LYS  16  -0.995  -4.948   0.401
    7    HD2  LYS  16           HD2      LYS  16   1.488  -4.030   0.343
    8    HD3  LYS  16           HD3      LYS  16   1.850  -5.673   0.873
    9    HE2  LYS  16           HE2      LYS  16   1.968  -5.762  -1.466
   10    HE3  LYS  16           HE3      LYS  16   0.391  -6.442  -1.069
   11    HZ3  LYS  16           HZ1      LYS  16  -0.701  -4.571  -1.827
   12    HZ2  LYS  16           HZ2      LYS  16   0.564  -4.710  -2.941
   13    HZ1  LYS  16           HZ3      LYS  16   0.659  -3.574  -1.691

  No H/Q in entry =          13
  In of MODEL   33
    1    HA   PRO  17           HA       PRO  17   1.123  -4.039   7.159
    2    HB2  PRO  17           HB2      PRO  17   3.556  -5.228   6.947
    3    HB3  PRO  17           HB3      PRO  17   2.090  -6.108   7.396
    4    HG2  PRO  17           HG2      PRO  17   3.452  -5.924   4.736
    5    HG3  PRO  17           HG3      PRO  17   2.752  -7.342   5.540
    6    HD2  PRO  17           HD2      PRO  17   1.462  -6.001   3.576
    7    HD3  PRO  17           HD3      PRO  17   0.602  -6.795   4.911

  No H/Q in entry =           7
  In of MODEL   33
    1    H    ALA  18           H        ALA  18   2.067  -2.152   7.621
    2    HA   ALA  18           HA       ALA  18   3.054  -0.369   5.778
    3    HB3  ALA  18           HB1      ALA  18   3.096   0.980   7.544
    4    HB1  ALA  18           HB2      ALA  18   4.379   0.037   8.302
    5    HB2  ALA  18           HB3      ALA  18   2.691  -0.411   8.550

  No H/Q in entry =           5
  In of MODEL   33
    1    H    GLY  19           H        GLY  19   5.280   0.537   5.602
    2    HA3  GLY  19           HA2      GLY  19   7.539   0.322   5.204
    3    HA2  GLY  19           HA3      GLY  19   7.537  -1.066   6.282

  No H/Q in entry =           3
  In of MODEL   33
    1    H    THR  20           H        THR  20   5.227  -1.423   3.862
    2    HA   THR  20           HA       THR  20   7.076  -3.067   2.263
    3    HB   THR  20           HB       THR  20   4.135  -3.494   2.835
    4    HG1  THR  20           HG1      THR  20   5.040  -4.374   4.526
    5   HG22  THR  20          HG21      THR  20   5.649  -5.681   1.626
    6   HG21  THR  20          HG22      THR  20   5.360  -4.308   0.558
    7   HG23  THR  20          HG23      THR  20   4.001  -5.130   1.326

  No H/Q in entry =           7
  In of MODEL   33
    1    H    THR  21           H        THR  21   7.422  -2.276   0.292
    2    HA   THR  21           HA       THR  21   6.337  -0.076  -0.865
    3    HB   THR  21           HB       THR  21   8.294  -1.261  -1.748
    4    HG1  THR  21           HG1      THR  21   7.292   0.185  -3.143
    5   HG23  THR  21          HG21      THR  21   8.288  -3.353  -2.452
    6   HG22  THR  21          HG22      THR  21   6.901  -3.061  -3.503
    7   HG21  THR  21          HG23      THR  21   6.650  -3.485  -1.809

  No H/Q in entry =           7
  In of MODEL   33
    1    H    CYS  22           H        CYS  22   4.156   0.219  -0.743
    2    HA   CYS  22           HA       CYS  22   2.198  -1.695  -1.308
    3    HB2  CYS  22           HB2      CYS  22   0.629   0.038  -1.133
    4    HB3  CYS  22           HB3      CYS  22   1.961   0.562  -0.111

  No H/Q in entry =           4
  In of MODEL   33
    1    H    TRP  23           H        TRP  23   3.804   0.651  -3.399
    2    HA   TRP  23           HA       TRP  23   2.307  -0.425  -5.682
    3    HB2  TRP  23           HB2      TRP  23   2.733   2.181  -5.001
    4    HB3  TRP  23           HB3      TRP  23   4.039   1.908  -6.149
    5    HD1  TRP  23           HD1      TRP  23   1.756  -0.292  -7.581
    6    HE1  TRP  23           HE1      TRP  23   0.207   0.795  -9.327
    7    HE3  TRP  23           HE3      TRP  23   2.423   4.605  -6.306
    8    HZ2  TRP  23           HZ2      TRP  23  -0.619   3.390 -10.062
    9    HZ3  TRP  23           HZ3      TRP  23   1.220   6.332  -7.580
   10    HH2  TRP  23           HH2      TRP  23  -0.268   5.735  -9.421

  No H/Q in entry =          10
  In of MODEL   33
    1    H    LYS  24           H        LYS  24   5.542   0.987  -5.371
    2    HA   LYS  24           HA       LYS  24   7.603   0.238  -5.988
    3    HB2  LYS  24           HB2      LYS  24   6.396  -2.038  -5.086
    4    HB3  LYS  24           HB3      LYS  24   6.783  -2.488  -6.741
    5    HG2  LYS  24           HG2      LYS  24   9.126  -1.393  -5.990
    6    HG3  LYS  24           HG3      LYS  24   8.555  -2.019  -4.441
    7    HD2  LYS  24           HD2      LYS  24   8.224  -4.228  -5.487
    8    HD3  LYS  24           HD3      LYS  24   8.869  -3.588  -7.000
    9    HE2  LYS  24           HE2      LYS  24  11.016  -3.298  -6.083
   10    HE3  LYS  24           HE3      LYS  24  10.424  -3.477  -4.433
   11    HZ3  LYS  24           HZ1      LYS  24  10.354  -5.729  -4.601
   12    HZ2  LYS  24           HZ2      LYS  24  11.624  -5.433  -5.678
   13    HZ1  LYS  24           HZ3      LYS  24  10.067  -5.727  -6.269

  No H/Q in entry =          13
  In of MODEL   33
    1    H    THR  25           H        THR  25   5.473   1.185  -7.865
    2    HA   THR  25           HA       THR  25   5.679  -0.155 -10.327
    3    HB   THR  25           HB       THR  25   5.112   2.761  -9.754
    4    HG1  THR  25           HG1      THR  25   2.989   2.140  -9.831
    5   HG22  THR  25          HG21      THR  25   3.734   2.164 -12.014
    6   HG21  THR  25          HG22      THR  25   5.251   1.304 -12.279
    7   HG23  THR  25          HG23      THR  25   5.264   3.039 -11.959

  No H/Q in entry =           7
  In of MODEL   33
    1    H    SER  26           H        SER  26   6.939   0.264 -12.160
    2    HA   SER  26           HA       SER  26   9.635   0.562 -11.844
    3    HB2  SER  26           HB2      SER  26   8.655  -0.297 -13.900
    4    HB3  SER  26           HB3      SER  26   7.993   1.294 -14.279
    5    HG   SER  26           HG       SER  26  10.486   0.314 -14.710

  No H/Q in entry =           5
  In of MODEL   33
    1    H    VAL  27           H        VAL  27   7.254   3.095 -12.083
    2    HA   VAL  27           HA       VAL  27   9.421   5.090 -11.941
    3    HB   VAL  27           HB       VAL  27   8.117   5.283 -14.017
    4   HG13  VAL  27          HG11      VAL  27   5.995   4.394 -13.257
    5   HG12  VAL  27          HG12      VAL  27   5.765   6.015 -13.913
    6   HG11  VAL  27          HG13      VAL  27   5.783   5.764 -12.167
    7   HG22  VAL  27          HG21      VAL  27   7.623   7.659 -13.859
    8   HG21  VAL  27          HG22      VAL  27   9.108   7.280 -12.986
    9   HG23  VAL  27          HG23      VAL  27   7.608   7.556 -12.098

  No H/Q in entry =           9
  In of MODEL   33
    1    H    SER  28           H        SER  28   6.427   3.947 -10.564
    2    HA   SER  28           HA       SER  28   6.615   6.059  -8.519
    3    HB2  SER  28           HB2      SER  28   4.071   5.211  -8.229
    4    HB3  SER  28           HB3      SER  28   4.534   6.527  -9.308
    5    HG   SER  28           HG       SER  28   4.030   5.328 -10.959

  No H/Q in entry =           5
  In of MODEL   33
    1    H    SER  29           H        SER  29   7.927   4.949  -7.089
    2    HA   SER  29           HA       SER  29   6.918   2.396  -6.045
    3    HB2  SER  29           HB2      SER  29   9.493   3.516  -5.060
    4    HB3  SER  29           HB3      SER  29   9.068   1.851  -5.458
    5    HG   SER  29           HG       SER  29   9.948   2.163  -7.326

  No H/Q in entry =           5
  In of MODEL   33
    1    H    HIS  30           H        HIS  30   5.814   2.389  -4.193
    2    HA   HIS  30           HA       HIS  30   6.310   4.517  -2.234
    3    HB2  HIS  30           HB2      HIS  30   3.537   3.615  -3.033
    4    HB3  HIS  30           HB3      HIS  30   3.956   4.934  -1.941
    5    HD1  HIS  30           HD1      HIS  30   3.580   7.120  -3.040
    6    HD2  HIS  30           HD2      HIS  30   4.886   4.244  -5.734
    7    HE1  HIS  30           HE1      HIS  30   3.722   8.292  -5.266
    8    HE2  HIS  30           HE2      HIS  30   4.609   6.556  -6.855

  No H/Q in entry =           8
  In of MODEL   33
    1    H    TYR  31           H        TYR  31   5.951   3.955  -0.085
    2    HA   TYR  31           HA       TYR  31   5.803   1.072   0.394
    3    HB2  TYR  31           HB2      TYR  31   7.174   3.327   1.675
    4    HB3  TYR  31           HB3      TYR  31   6.437   2.203   2.812
    5    HD1  TYR  31           HD1      TYR  31   7.814   1.235  -0.478
    6    HD2  TYR  31           HD2      TYR  31   8.446   1.313   3.729
    7    HE1  TYR  31           HE1      TYR  31   9.729  -0.283  -0.744
    8    HE2  TYR  31           HE2      TYR  31  10.364  -0.204   3.474
    9    HH   TYR  31           HH       TYR  31  12.046  -0.717   1.414

  No H/Q in entry =           9
  In of MODEL   33
    1    H    CYS  32           H        CYS  32   4.256   0.116   1.605
    2    HA   CYS  32           HA       CYS  32   1.769   1.377   1.937
    3    HB2  CYS  32           HB2      CYS  32   2.945  -1.236   2.561
    4    HB3  CYS  32           HB3      CYS  32   1.690  -0.747   3.692

  No H/Q in entry =           4
  In of MODEL   33
    1    H    THR  33           H        THR  33   0.723   2.213   3.708
    2    HA   THR  33           HA       THR  33   2.463   3.083   5.885
    3    HB   THR  33           HB       THR  33   0.817   4.737   6.374
    4    HG1  THR  33           HG1      THR  33  -0.884   3.220   4.697
    5   HG23  THR  33          HG21      THR  33   1.458   5.931   4.634
    6   HG22  THR  33          HG22      THR  33   0.166   5.193   3.687
    7   HG21  THR  33          HG23      THR  33   1.775   4.469   3.699

  No H/Q in entry =           7
  In of MODEL   33
    1    H    GLY  34           H        GLY  34   0.921   0.372   5.381
    2    HA3  GLY  34           HA2      GLY  34  -0.224  -1.181   6.643
    3    HA2  GLY  34           HA3      GLY  34   0.804  -0.577   7.932

  No H/Q in entry =           3
  In of MODEL   33
    1    H    ARG  35           H        ARG  35  -2.062   0.653   6.179
    2    HA   ARG  35           HA       ARG  35  -3.727   0.525   8.473
    3    HB2  ARG  35           HB2      ARG  35  -2.252   2.420   9.119
    4    HB3  ARG  35           HB3      ARG  35  -2.800   3.291   7.693
    5    HG2  ARG  35           HG2      ARG  35  -5.172   2.727   8.798
    6    HG3  ARG  35           HG3      ARG  35  -4.174   2.782  10.252
    7    HD2  ARG  35           HD2      ARG  35  -3.816   5.006  10.083
    8    HD3  ARG  35           HD3      ARG  35  -3.749   4.967   8.321
    9    HE   ARG  35           HE       ARG  35  -5.941   5.572   8.293
   10   HH11  ARG  35          HH11      ARG  35  -5.261   4.108  11.387
   11   HH12  ARG  35          HH12      ARG  35  -6.840   4.423  12.024
   12   HH21  ARG  35          HH21      ARG  35  -8.019   5.988   9.130
   13   HH22  ARG  35          HH22      ARG  35  -8.406   5.490  10.743

  No H/Q in entry =          13
  In of MODEL   33
    1    H    SER  36           H        SER  36  -3.121   2.096   5.366
    2    HA   SER  36           HA       SER  36  -5.945   1.633   4.690
    3    HB2  SER  36           HB2      SER  36  -4.430   4.190   4.601
    4    HB3  SER  36           HB3      SER  36  -5.525   3.860   3.258
    5    HG   SER  36           HG       SER  36  -6.276   3.705   5.988

  No H/Q in entry =           5
  In of MODEL   33
    1    H    CYS  37           H        CYS  37  -6.360   1.648   2.341
    2    HA   CYS  37           HA       CYS  37  -4.310   0.139   0.978
    3    HB2  CYS  37           HB2      CYS  37  -7.165   0.839   0.369
    4    HB3  CYS  37           HB3      CYS  37  -6.125   0.160  -0.879

  No H/Q in entry =           4
  In of MODEL   33
    1    H    GLU  38           H        GLU  38  -5.358   3.404   1.086
    2    HA   GLU  38           HA       GLU  38  -4.665   4.223  -1.526
    3    HB2  GLU  38           HB2      GLU  38  -4.770   5.762   1.072
    4    HB3  GLU  38           HB3      GLU  38  -4.529   6.508  -0.501
    5    HG2  GLU  38           HG2      GLU  38  -6.738   5.251  -1.105
    6    HG3  GLU  38           HG3      GLU  38  -6.966   5.239   0.643

  No H/Q in entry =           6
  In of MODEL   33
    1    H    CYS  39           H        CYS  39  -2.772   4.899  -2.414
    2    HA   CYS  39           HA       CYS  39  -0.359   4.497  -0.786
    3    HB2  CYS  39           HB2      CYS  39  -0.885   4.232  -3.735
    4    HB3  CYS  39           HB3      CYS  39   0.753   4.392  -3.111

  No H/Q in entry =           4
  In of MODEL   33
    1    HA   PRO  40           HA       PRO  40   0.314   8.903  -0.785
    2    HB2  PRO  40           HB2      PRO  40   3.170   8.083  -0.626
    3    HB3  PRO  40           HB3      PRO  40   2.253   9.176   0.417
    4    HG2  PRO  40           HG2      PRO  40   2.890   6.724   1.240
    5    HG3  PRO  40           HG3      PRO  40   1.317   7.440   1.636
    6    HD2  PRO  40           HD2      PRO  40   2.000   5.367  -0.404
    7    HD3  PRO  40           HD3      PRO  40   0.562   5.506   0.629

  No H/Q in entry =           7
  In of MODEL   33
    1    H    SER  41           H        SER  41   1.973  10.433  -1.884
    2    HA   SER  41           HA       SER  41   2.263   9.548  -4.677
    3    HB2  SER  41           HB2      SER  41   0.731  11.409  -4.481
    4    HB3  SER  41           HB3      SER  41   1.898  12.323  -3.526
    5    HG   SER  41           HG       SER  41   1.922  11.723  -6.273

  No H/Q in entry =           5
  In of MODEL   33
    1    H    TYR  42           H        TYR  42   4.197   9.042  -2.558
    2    HA   TYR  42           HA       TYR  42   6.538   9.969  -3.934
    3    HB2  TYR  42           HB2      TYR  42   7.564  11.172  -2.113
    4    HB3  TYR  42           HB3      TYR  42   5.997  11.900  -2.446
    5    HD1  TYR  42           HD1      TYR  42   4.268  11.908  -0.799
    6    HD2  TYR  42           HD2      TYR  42   7.870   9.757  -0.099
    7    HE1  TYR  42           HE1      TYR  42   3.640  11.638   1.563
    8    HE2  TYR  42           HE2      TYR  42   7.254   9.480   2.264
    9    HH   TYR  42           HH       TYR  42   4.535   9.594   3.483

  No H/Q in entry =           9
  In of MODEL   33
    1    HA   PRO  43           HA       PRO  43   7.943   6.106  -2.306
    2    HB2  PRO  43           HB2      PRO  43  10.583   6.301  -2.780
    3    HB3  PRO  43           HB3      PRO  43   9.408   6.145  -4.092
    4    HG2  PRO  43           HG2      PRO  43  10.769   8.603  -3.052
    5    HG3  PRO  43           HG3      PRO  43  10.487   8.107  -4.732
    6    HD2  PRO  43           HD2      PRO  43   8.927   9.922  -3.424
    7    HD3  PRO  43           HD3      PRO  43   8.323   8.877  -4.725

  No H/Q in entry =           7
  In of MODEL   33
    1    H    GLY  44           H        GLY  44   8.953   5.170  -0.516
    2    HA3  GLY  44           HA2      GLY  44   9.236   6.862   1.762
    3    HA2  GLY  44           HA3      GLY  44   9.535   5.132   1.711

  No H/Q in entry =           3
  In of MODEL   33
    1    H    ASN  45           H        ASN  45  11.198   6.330   3.278
    2    HA   ASN  45           HA       ASN  45  13.339   7.008   3.711
    3    HB2  ASN  45           HB2      ASN  45  15.039   5.565   2.733
    4    HB3  ASN  45           HB3      ASN  45  13.613   4.620   3.151
    5   HD21  ASN  45          HD21      ASN  45  15.709   5.652   0.663
    6   HD22  ASN  45          HD22      ASN  45  14.943   4.819  -0.642

  No H/Q in entry =           6
  In of MODEL   33
    1    H    GLY  46           H        GLY  46  11.977   8.735   1.869
    2    HA3  GLY  46           HA2      GLY  46  13.487  10.700   1.185
    3    HA2  GLY  46           HA3      GLY  46  14.150   9.536   0.048

  No H/Q in entry =           3
  In of MODEL   34
    1    H1   ALA   1           H1       ALA   1 -18.427  -3.568  10.483
    2    H2   ALA   1           H3       ALA   1 -18.843  -2.267   9.449
    3    H3   ALA   1           H2       ALA   1 -20.063  -3.065  10.355
    4    HA   ALA   1           HA       ALA   1 -19.977  -4.939   9.096
    5    HB1  ALA   1           HB1      ALA   1 -20.481  -4.195   6.917
    6    HB3  ALA   1           HB2      ALA   1 -19.418  -2.796   7.064
    7    HB2  ALA   1           HB3      ALA   1 -20.918  -2.864   7.988

  No H/Q in entry =           7
  In of MODEL   34
    1    H    MET   2           H        MET   2 -17.096  -2.994   8.735
    2    HA   MET   2           HA       MET   2 -14.970  -3.494   8.103
    3    HB2  MET   2           HB2      MET   2 -15.924  -6.313   8.629
    4    HB3  MET   2           HB3      MET   2 -14.247  -5.871   8.339
    5    HG2  MET   2           HG2      MET   2 -14.749  -4.198  10.337
    6    HG3  MET   2           HG3      MET   2 -15.945  -5.433  10.722
    7    HE1  MET   2           HE1      MET   2 -15.408  -6.149  12.646
    8    HE3  MET   2           HE2      MET   2 -13.808  -5.813  13.307
    9    HE2  MET   2           HE3      MET   2 -14.277  -7.472  12.934

  No H/Q in entry =           9
  In of MODEL   34
    1    H    ASP   3           H        ASP   3 -14.537  -3.026   6.050
    2    HA   ASP   3           HA       ASP   3 -15.240  -5.010   3.997
    3    HB2  ASP   3           HB2      ASP   3 -16.622  -2.744   4.116
    4    HB3  ASP   3           HB3      ASP   3 -15.220  -2.121   3.251

  No H/Q in entry =           4
  In of MODEL   34
    1    H    CYS   4           H        CYS   4 -13.834  -5.073   2.172
    2    HA   CYS   4           HA       CYS   4 -11.094  -4.527   2.861
    3    HB2  CYS   4           HB2      CYS   4 -11.996  -5.475   0.158
    4    HB3  CYS   4           HB3      CYS   4 -10.501  -5.834   1.012

  No H/Q in entry =           4
  In of MODEL   34
    1    H    THR   5           H        THR   5  -9.642  -3.220   1.713
    2    HA   THR   5           HA       THR   5 -10.916  -1.061   0.168
    3    HB   THR   5           HB       THR   5  -8.369  -0.954   1.789
    4    HG1  THR   5           HG1      THR   5  -9.842  -0.872   3.315
    5   HG22  THR   5          HG21      THR   5  -8.610   1.493   1.561
    6   HG21  THR   5          HG22      THR   5  -9.905   1.221   0.394
    7   HG23  THR   5          HG23      THR   5  -8.267   0.676   0.037

  No H/Q in entry =           7
  In of MODEL   34
    1    H    THR   6           H        THR   6 -10.569  -2.915  -1.487
    2    HA   THR   6           HA       THR   6  -8.232  -3.790  -2.521
    3    HB   THR   6           HB       THR   6  -9.448  -3.384  -4.839
    4    HG1  THR   6           HG1      THR   6 -11.708  -3.207  -4.474
    5   HG22  THR   6          HG21      THR   6 -11.221  -5.167  -3.550
    6   HG21  THR   6          HG22      THR   6  -9.614  -5.407  -2.864
    7   HG23  THR   6          HG23      THR   6  -9.859  -5.537  -4.606

  No H/Q in entry =           7
  In of MODEL   34
    1    H    GLY   7           H        GLY   7  -6.403  -2.852  -3.079
    2    HA3  GLY   7           HA2      GLY   7  -6.372  -0.555  -4.823
    3    HA2  GLY   7           HA3      GLY   7  -5.796  -0.212  -3.199

  No H/Q in entry =           3
  In of MODEL   34
    1    HA   PRO   8           HA       PRO   8  -2.216  -1.766  -5.729
    2    HB2  PRO   8           HB2      PRO   8  -0.524   0.269  -5.204
    3    HB3  PRO   8           HB3      PRO   8  -1.726   0.351  -6.498
    4    HG2  PRO   8           HG2      PRO   8  -1.832   1.506  -3.738
    5    HG3  PRO   8           HG3      PRO   8  -2.309   2.243  -5.278
    6    HD2  PRO   8           HD2      PRO   8  -4.090   1.143  -3.537
    7    HD3  PRO   8           HD3      PRO   8  -4.351   1.190  -5.292

  No H/Q in entry =           7
  In of MODEL   34
    1    H    CYS   9           H        CYS   9  -2.827  -1.021  -2.456
    2    HA   CYS   9           HA       CYS   9  -0.342  -2.385  -1.650
    3    HB2  CYS   9           HB2      CYS   9  -0.393  -0.049  -0.902
    4    HB3  CYS   9           HB3      CYS   9  -1.929  -0.336  -0.092

  No H/Q in entry =           4
  In of MODEL   34
    1    H    CYS  10           H        CYS  10  -3.795  -2.348  -1.452
    2    HA   CYS  10           HA       CYS  10  -4.212  -3.858   0.855
    3    HB2  CYS  10           HB2      CYS  10  -5.803  -2.831  -1.186
    4    HB3  CYS  10           HB3      CYS  10  -6.060  -4.570  -1.274

  No H/Q in entry =           4
  In of MODEL   34
    1    H    ARG  11           H        ARG  11  -4.177  -5.990   1.330
    2    HA   ARG  11           HA       ARG  11  -3.305  -7.832  -0.799
    3    HB2  ARG  11           HB2      ARG  11  -1.483  -7.394   0.780
    4    HB3  ARG  11           HB3      ARG  11  -2.519  -7.860   2.122
    5    HG2  ARG  11           HG2      ARG  11  -2.410 -10.098   1.610
    6    HG3  ARG  11           HG3      ARG  11  -2.031  -9.799  -0.088
    7    HD2  ARG  11           HD2      ARG  11   0.203  -9.208   0.419
    8    HD3  ARG  11           HD3      ARG  11  -0.141  -9.103   2.145
    9    HE   ARG  11           HE       ARG  11  -0.664 -11.715   1.206
   10   HH11  ARG  11          HH11      ARG  11   1.985  -9.567   1.945
   11   HH12  ARG  11          HH12      ARG  11   3.085 -10.850   2.321
   12   HH21  ARG  11          HH21      ARG  11   0.781 -13.405   1.701
   13   HH22  ARG  11          HH22      ARG  11   2.402 -13.029   2.182

  No H/Q in entry =          13
  In of MODEL   34
    1    H    GLN  12           H        GLN  12  -5.325  -8.636  -1.269
    2    HA   GLN  12           HA       GLN  12  -6.974 -10.209  -1.101
    3    HB2  GLN  12           HB2      GLN  12  -5.249 -11.263   0.595
    4    HB3  GLN  12           HB3      GLN  12  -6.427 -10.730   1.787
    5    HG2  GLN  12           HG2      GLN  12  -8.161 -11.985   0.453
    6    HG3  GLN  12           HG3      GLN  12  -6.822 -12.684  -0.457
    7   HE21  GLN  12          HE21      GLN  12  -7.204 -14.764   0.226
    8   HE22  GLN  12          HE22      GLN  12  -6.920 -15.288   1.847

  No H/Q in entry =           8
  In of MODEL   34
    1    H    CYS  13           H        CYS  13  -6.678  -8.531   2.019
    2    HA   CYS  13           HA       CYS  13  -8.951  -6.922   1.641
    3    HB2  CYS  13           HB2      CYS  13 -10.077  -9.146   1.871
    4    HB3  CYS  13           HB3      CYS  13  -9.416  -9.262   3.499

  No H/Q in entry =           4
  In of MODEL   34
    1    H    LYS  14           H        LYS  14  -6.229  -6.766   2.654
    2    HA   LYS  14           HA       LYS  14  -6.765  -5.206   4.996
    3    HB2  LYS  14           HB2      LYS  14  -5.347  -7.843   5.209
    4    HB3  LYS  14           HB3      LYS  14  -4.930  -6.523   6.294
    5    HG2  LYS  14           HG2      LYS  14  -7.456  -6.423   6.789
    6    HG3  LYS  14           HG3      LYS  14  -7.501  -8.033   6.067
    7    HD2  LYS  14           HD2      LYS  14  -5.817  -8.795   7.679
    8    HD3  LYS  14           HD3      LYS  14  -5.791  -7.187   8.406
    9    HE2  LYS  14           HE2      LYS  14  -8.022  -7.399   9.174
   10    HE3  LYS  14           HE3      LYS  14  -8.297  -8.837   8.192
   11    HZ2  LYS  14           HZ1      LYS  14  -7.953  -9.374  10.533
   12    HZ1  LYS  14           HZ2      LYS  14  -6.418  -8.666  10.486
   13    HZ3  LYS  14           HZ3      LYS  14  -6.739 -10.048   9.565

  No H/Q in entry =          13
  In of MODEL   34
    1    H    LEU  15           H        LEU  15  -5.587  -3.448   4.681
    2    HA   LEU  15           HA       LEU  15  -3.675  -3.023   2.780
    3    HB2  LEU  15           HB2      LEU  15  -2.824  -1.189   4.375
    4    HB3  LEU  15           HB3      LEU  15  -4.478  -1.104   3.800
    5    HG   LEU  15           HG       LEU  15  -4.587  -2.572   6.196
    6   HD13  LEU  15          HD11      LEU  15  -3.239  -1.635   7.728
    7   HD12  LEU  15          HD12      LEU  15  -3.333  -0.037   6.989
    8   HD11  LEU  15          HD13      LEU  15  -2.236  -1.250   6.330
    9   HD23  LEU  15          HD21      LEU  15  -5.201   0.341   6.111
   10   HD22  LEU  15          HD22      LEU  15  -6.132  -0.990   6.799
   11   HD21  LEU  15          HD23      LEU  15  -6.092  -0.752   5.052

  No H/Q in entry =          11
  In of MODEL   34
    1    H    LYS  16           H        LYS  16  -1.737  -3.850   2.420
    2    HA   LYS  16           HA       LYS  16  -0.411  -5.673   3.948
    3    HB2  LYS  16           HB2      LYS  16   0.552  -3.714   1.897
    4    HB3  LYS  16           HB3      LYS  16   1.712  -4.732   2.737
    5    HG2  LYS  16           HG2      LYS  16   0.418  -6.719   1.991
    6    HG3  LYS  16           HG3      LYS  16  -0.595  -5.637   1.033
    7    HD2  LYS  16           HD2      LYS  16   1.761  -4.830   0.131
    8    HD3  LYS  16           HD3      LYS  16   2.234  -6.456   0.627
    9    HE2  LYS  16           HE2      LYS  16   0.744  -7.469  -0.861
   10    HE3  LYS  16           HE3      LYS  16  -0.196  -5.992  -1.067
   11    HZ1  LYS  16           HZ1      LYS  16   1.889  -5.047  -2.115
   12    HZ3  LYS  16           HZ2      LYS  16   1.053  -6.211  -3.014
   13    HZ2  LYS  16           HZ3      LYS  16   2.464  -6.637  -2.186

  No H/Q in entry =          13
  In of MODEL   34
    1    HA   PRO  17           HA       PRO  17   1.666  -3.760   7.326
    2    HB2  PRO  17           HB2      PRO  17   4.309  -4.746   6.505
    3    HB3  PRO  17           HB3      PRO  17   3.343  -5.172   7.919
    4    HG2  PRO  17           HG2      PRO  17   3.720  -6.876   5.866
    5    HG3  PRO  17           HG3      PRO  17   2.223  -6.849   6.815
    6    HD2  PRO  17           HD2      PRO  17   2.775  -5.716   4.103
    7    HD3  PRO  17           HD3      PRO  17   1.319  -6.533   4.710

  No H/Q in entry =           7
  In of MODEL   34
    1    H    ALA  18           H        ALA  18   2.732  -1.914   7.912
    2    HA   ALA  18           HA       ALA  18   3.293   0.018   5.962
    3    HB2  ALA  18           HB1      ALA  18   3.898   1.446   7.723
    4    HB1  ALA  18           HB2      ALA  18   4.415   0.107   8.747
    5    HB3  ALA  18           HB3      ALA  18   2.700   0.358   8.424

  No H/Q in entry =           5
  In of MODEL   34
    1    H    GLY  19           H        GLY  19   5.318   1.035   5.423
    2    HA3  GLY  19           HA2      GLY  19   7.534   1.040   4.814
    3    HA2  GLY  19           HA3      GLY  19   7.827  -0.069   6.145

  No H/Q in entry =           3
  In of MODEL   34
    1    H    THR  20           H        THR  20   5.473  -1.038   3.839
    2    HA   THR  20           HA       THR  20   7.428  -2.874   2.619
    3    HB   THR  20           HB       THR  20   4.490  -3.352   3.167
    4    HG1  THR  20           HG1      THR  20   5.405  -3.697   5.065
    5   HG22  THR  20          HG21      THR  20   6.307  -5.572   2.474
    6   HG21  THR  20          HG22      THR  20   5.775  -4.522   1.161
    7   HG23  THR  20          HG23      THR  20   4.585  -5.364   2.154

  No H/Q in entry =           7
  In of MODEL   34
    1    H    THR  21           H        THR  21   7.700  -2.647   0.497
    2    HA   THR  21           HA       THR  21   6.540  -0.693  -1.050
    3    HB   THR  21           HB       THR  21   7.162  -2.851  -2.795
    4    HG1  THR  21           HG1      THR  21   9.176  -3.456  -1.992
    5   HG23  THR  21          HG21      THR  21   8.070  -1.055  -3.716
    6   HG22  THR  21          HG22      THR  21   9.433  -1.311  -2.626
    7   HG21  THR  21          HG23      THR  21   8.138  -0.201  -2.175

  No H/Q in entry =           7
  In of MODEL   34
    1    H    CYS  22           H        CYS  22   4.604  -0.393  -1.895
    2    HA   CYS  22           HA       CYS  22   2.814  -2.714  -2.139
    3    HB2  CYS  22           HB2      CYS  22   0.964  -1.059  -1.963
    4    HB3  CYS  22           HB3      CYS  22   1.988  -1.112  -0.532

  No H/Q in entry =           4
  In of MODEL   34
    1    H    TRP  23           H        TRP  23   4.016   0.165  -3.764
    2    HA   TRP  23           HA       TRP  23   2.511  -0.564  -6.165
    3    HB2  TRP  23           HB2      TRP  23   2.786   1.865  -5.061
    4    HB3  TRP  23           HB3      TRP  23   4.178   1.888  -6.137
    5    HD1  TRP  23           HD1      TRP  23   1.848  -0.133  -7.954
    6    HE1  TRP  23           HE1      TRP  23   0.467   1.240  -9.636
    7    HE3  TRP  23           HE3      TRP  23   2.804   4.540  -6.147
    8    HZ2  TRP  23           HZ2      TRP  23  -0.133   3.953 -10.129
    9    HZ3  TRP  23           HZ3      TRP  23   1.795   6.477  -7.281
   10    HH2  TRP  23           HH2      TRP  23   0.358   6.186  -9.234

  No H/Q in entry =          10
  In of MODEL   34
    1    H    LYS  24           H        LYS  24   5.724   0.880  -5.730
    2    HA   LYS  24           HA       LYS  24   7.739   0.425  -6.689
    3    HB2  LYS  24           HB2      LYS  24   7.417  -1.727  -5.537
    4    HB3  LYS  24           HB3      LYS  24   6.610  -2.358  -6.966
    5    HG2  LYS  24           HG2      LYS  24   9.064  -1.358  -7.866
    6    HG3  LYS  24           HG3      LYS  24   9.414  -2.216  -6.364
    7    HD2  LYS  24           HD2      LYS  24   8.066  -4.140  -7.294
    8    HD3  LYS  24           HD3      LYS  24   8.068  -3.284  -8.837
    9    HE2  LYS  24           HE2      LYS  24   9.938  -4.499  -9.190
   10    HE3  LYS  24           HE3      LYS  24  10.692  -3.203  -8.263
   11    HZ3  LYS  24           HZ1      LYS  24  10.515  -4.535  -6.278
   12    HZ2  LYS  24           HZ2      LYS  24  11.330  -5.413  -7.472
   13    HZ1  LYS  24           HZ3      LYS  24   9.713  -5.764  -7.121

  No H/Q in entry =          13
  In of MODEL   34
    1    H    THR  25           H        THR  25   5.694   1.485  -8.337
    2    HA   THR  25           HA       THR  25   5.451   0.173 -10.815
    3    HB   THR  25           HB       THR  25   5.450   3.086 -11.011
    4    HG1  THR  25           HG1      THR  25   3.859   1.844  -9.024
    5   HG21  THR  25          HG21      THR  25   3.416   0.925 -11.419
    6   HG23  THR  25          HG22      THR  25   4.213   1.934 -12.627
    7   HG22  THR  25          HG23      THR  25   3.017   2.638 -11.539

  No H/Q in entry =           7
  In of MODEL   34
    1    H    SER  26           H        SER  26   6.276   1.328 -12.890
    2    HA   SER  26           HA       SER  26   9.088   0.997 -12.955
    3    HB2  SER  26           HB2      SER  26   7.193   2.156 -15.011
    4    HB3  SER  26           HB3      SER  26   8.887   1.770 -15.318
    5    HG   SER  26           HG       SER  26   8.305  -0.420 -14.615

  No H/Q in entry =           5
  In of MODEL   34
    1    H    VAL  27           H        VAL  27   7.014   3.781 -12.607
    2    HA   VAL  27           HA       VAL  27   9.394   5.442 -12.204
    3    HB   VAL  27           HB       VAL  27   8.607   5.865 -14.506
    4   HG12  VAL  27          HG11      VAL  27   6.438   7.109 -14.765
    5   HG11  VAL  27          HG12      VAL  27   6.047   6.623 -13.116
    6   HG13  VAL  27          HG13      VAL  27   6.283   5.399 -14.364
    7   HG22  VAL  27          HG21      VAL  27   9.513   7.853 -14.084
    8   HG21  VAL  27          HG22      VAL  27   8.945   7.821 -12.415
    9   HG23  VAL  27          HG23      VAL  27   7.897   8.441 -13.691

  No H/Q in entry =           9
  In of MODEL   34
    1    H    SER  28           H        SER  28   7.738   4.264 -10.257
    2    HA   SER  28           HA       SER  28   6.714   6.681  -8.973
    3    HB2  SER  28           HB2      SER  28   5.023   4.697 -10.055
    4    HB3  SER  28           HB3      SER  28   4.980   4.483  -8.305
    5    HG   SER  28           HG       SER  28   3.870   6.423  -9.821

  No H/Q in entry =           5
  In of MODEL   34
    1    H    SER  29           H        SER  29   6.524   3.248  -8.147
    2    HA   SER  29           HA       SER  29   7.189   2.090  -6.310
    3    HB2  SER  29           HB2      SER  29   9.570   3.895  -6.737
    4    HB3  SER  29           HB3      SER  29   9.553   2.618  -5.521
    5    HG   SER  29           HG       SER  29  10.123   1.360  -7.095

  No H/Q in entry =           5
  In of MODEL   34
    1    H    HIS  30           H        HIS  30   5.742   2.557  -4.754
    2    HA   HIS  30           HA       HIS  30   6.508   4.646  -2.833
    3    HB2  HIS  30           HB2      HIS  30   3.668   4.012  -3.657
    4    HB3  HIS  30           HB3      HIS  30   4.190   5.283  -2.552
    5    HD1  HIS  30           HD1      HIS  30   3.912   7.461  -3.688
    6    HD2  HIS  30           HD2      HIS  30   5.289   4.527  -6.289
    7    HE1  HIS  30           HE1      HIS  30   4.286   8.631  -5.882
    8    HE2  HIS  30           HE2      HIS  30   5.282   6.876  -7.381

  No H/Q in entry =           8
  In of MODEL   34
    1    H    TYR  31           H        TYR  31   6.529   4.023  -0.760
    2    HA   TYR  31           HA       TYR  31   5.909   1.259  -0.145
    3    HB2  TYR  31           HB2      TYR  31   7.400   3.467   1.188
    4    HB3  TYR  31           HB3      TYR  31   6.732   2.201   2.212
    5    HD1  TYR  31           HD1      TYR  31   8.370   2.144  -1.150
    6    HD2  TYR  31           HD2      TYR  31   8.418   0.777   2.877
    7    HE1  TYR  31           HE1      TYR  31  10.306   0.718  -1.664
    8    HE2  TYR  31           HE2      TYR  31  10.353  -0.653   2.376
    9    HH   TYR  31           HH       TYR  31  12.156  -0.366  -0.500

  No H/Q in entry =           9
  In of MODEL   34
    1    H    CYS  32           H        CYS  32   4.675   0.697   1.814
    2    HA   CYS  32           HA       CYS  32   2.309   2.405   2.029
    3    HB2  CYS  32           HB2      CYS  32   2.583  -0.337   1.714
    4    HB3  CYS  32           HB3      CYS  32   2.171  -0.158   3.416

  No H/Q in entry =           4
  In of MODEL   34
    1    H    THR  33           H        THR  33   1.273   2.572   4.188
    2    HA   THR  33           HA       THR  33   3.314   2.785   6.304
    3    HB   THR  33           HB       THR  33   2.303   4.759   7.106
    4    HG1  THR  33           HG1      THR  33   0.263   5.217   6.839
    5   HG21  THR  33          HG21      THR  33   2.082   4.925   4.110
    6   HG23  THR  33          HG22      THR  33   3.538   5.214   5.063
    7   HG22  THR  33          HG23      THR  33   2.150   6.290   5.224

  No H/Q in entry =           7
  In of MODEL   34
    1    H    GLY  34           H        GLY  34   1.313   0.613   5.550
    2    HA3  GLY  34           HA2      GLY  34  -0.154  -0.814   6.604
    3    HA2  GLY  34           HA3      GLY  34   0.779  -0.420   8.039

  No H/Q in entry =           3
  In of MODEL   34
    1    H    ARG  35           H        ARG  35  -1.013   2.044   6.353
    2    HA   ARG  35           HA       ARG  35  -2.923   2.111   8.596
    3    HB2  ARG  35           HB2      ARG  35  -1.552   4.273   7.054
    4    HB3  ARG  35           HB3      ARG  35  -3.145   4.592   7.727
    5    HG2  ARG  35           HG2      ARG  35  -1.166   3.396   9.560
    6    HG3  ARG  35           HG3      ARG  35  -0.867   5.058   9.046
    7    HD2  ARG  35           HD2      ARG  35  -3.077   5.715   9.810
    8    HD3  ARG  35           HD3      ARG  35  -3.437   4.049  10.261
    9    HE   ARG  35           HE       ARG  35  -1.207   4.608  11.687
   10   HH11  ARG  35          HH11      ARG  35  -4.281   6.223  11.332
   11   HH12  ARG  35          HH12      ARG  35  -4.254   6.894  12.929
   12   HH21  ARG  35          HH21      ARG  35  -1.170   5.490  13.787
   13   HH22  ARG  35          HH22      ARG  35  -2.488   6.478  14.322

  No H/Q in entry =          13
  In of MODEL   34
    1    H    SER  36           H        SER  36  -2.531   2.396   5.120
    2    HA   SER  36           HA       SER  36  -5.387   1.835   4.800
    3    HB2  SER  36           HB2      SER  36  -3.920   3.986   3.252
    4    HB3  SER  36           HB3      SER  36  -5.600   3.503   3.020
    5    HG   SER  36           HG       SER  36  -4.469   5.096   4.963

  No H/Q in entry =           5
  In of MODEL   34
    1    H    CYS  37           H        CYS  37  -5.846   1.313   2.399
    2    HA   CYS  37           HA       CYS  37  -3.827  -0.619   1.576
    3    HB2  CYS  37           HB2      CYS  37  -6.726  -0.203   0.943
    4    HB3  CYS  37           HB3      CYS  37  -5.730  -1.183  -0.127

  No H/Q in entry =           4
  In of MODEL   34
    1    H    GLU  38           H        GLU  38  -4.086   2.512   1.048
    2    HA   GLU  38           HA       GLU  38  -3.562   2.381  -1.841
    3    HB2  GLU  38           HB2      GLU  38  -5.269   4.026  -0.566
    4    HB3  GLU  38           HB3      GLU  38  -3.812   5.007  -0.486
    5    HG2  GLU  38           HG2      GLU  38  -4.436   5.752  -2.488
    6    HG3  GLU  38           HG3      GLU  38  -3.806   4.221  -3.092

  No H/Q in entry =           6
  In of MODEL   34
    1    H    CYS  39           H        CYS  39  -1.804   3.712  -2.688
    2    HA   CYS  39           HA       CYS  39   0.474   3.727  -0.836
    3    HB2  CYS  39           HB2      CYS  39   0.473   3.751  -3.861
    4    HB3  CYS  39           HB3      CYS  39   1.894   3.637  -2.828

  No H/Q in entry =           4
  In of MODEL   34
    1    HA   PRO  40           HA       PRO  40   0.478   8.165  -0.694
    2    HB2  PRO  40           HB2      PRO  40   3.431   7.838  -0.558
    3    HB3  PRO  40           HB3      PRO  40   2.344   8.711   0.528
    4    HG2  PRO  40           HG2      PRO  40   3.394   6.370   1.245
    5    HG3  PRO  40           HG3      PRO  40   1.723   6.789   1.665
    6    HD2  PRO  40           HD2      PRO  40   2.742   4.955  -0.461
    7    HD3  PRO  40           HD3      PRO  40   1.306   4.801   0.572

  No H/Q in entry =           7
  In of MODEL   34
    1    H    SER  41           H        SER  41   1.833  10.006  -1.721
    2    HA   SER  41           HA       SER  41   2.151   9.348  -4.563
    3    HB2  SER  41           HB2      SER  41   0.525  11.163  -3.748
    4    HB3  SER  41           HB3      SER  41   1.962  12.130  -3.417
    5    HG   SER  41           HG       SER  41   2.468  12.102  -5.572

  No H/Q in entry =           5
  In of MODEL   34
    1    H    TYR  42           H        TYR  42   4.196   8.945  -2.413
    2    HA   TYR  42           HA       TYR  42   6.396  10.188  -3.847
    3    HB2  TYR  42           HB2      TYR  42   7.437  11.128  -1.874
    4    HB3  TYR  42           HB3      TYR  42   5.816  11.794  -2.039
    5    HD1  TYR  42           HD1      TYR  42   3.999  10.991  -0.533
    6    HD2  TYR  42           HD2      TYR  42   8.058   9.848   0.030
    7    HE1  TYR  42           HE1      TYR  42   3.477  10.291   1.767
    8    HE2  TYR  42           HE2      TYR  42   7.548   9.144   2.330
    9    HH   TYR  42           HH       TYR  42   5.537   9.933   4.092

  No H/Q in entry =           9
  In of MODEL   34
    1    HA   PRO  43           HA       PRO  43   8.217   6.248  -3.026
    2    HB2  PRO  43           HB2      PRO  43  10.833   6.819  -3.387
    3    HB3  PRO  43           HB3      PRO  43   9.683   6.761  -4.728
    4    HG2  PRO  43           HG2      PRO  43  10.747   9.137  -3.246
    5    HG3  PRO  43           HG3      PRO  43  10.521   8.918  -4.992
    6    HD2  PRO  43           HD2      PRO  43   8.765  10.290  -3.440
    7    HD3  PRO  43           HD3      PRO  43   8.269   9.387  -4.885

  No H/Q in entry =           7
  In of MODEL   34
    1    H    GLY  44           H        GLY  44  10.525   5.550  -1.873
    2    HA3  GLY  44           HA2      GLY  44  11.829   5.644   0.080
    3    HA2  GLY  44           HA3      GLY  44  10.810   6.947   0.673

  No H/Q in entry =           3
  In of MODEL   34
    1    H    ASN  45           H        ASN  45  10.519   6.005   2.693
    2    HA   ASN  45           HA       ASN  45   9.255   3.374   2.809
    3    HB2  ASN  45           HB2      ASN  45  10.053   5.141   5.126
    4    HB3  ASN  45           HB3      ASN  45   9.697   3.417   5.166
    5   HD21  ASN  45          HD21      ASN  45  12.037   4.502   6.182
    6   HD22  ASN  45          HD22      ASN  45  13.368   3.957   5.224

  No H/Q in entry =           6
  In of MODEL   34
    1    H    GLY  46           H        GLY  46   8.643   6.724   3.819
    2    HA3  GLY  46           HA2      GLY  46   6.136   6.310   4.997
    3    HA2  GLY  46           HA3      GLY  46   6.689   7.826   4.301

  No H/Q in entry =           3
  In of MODEL   35
    1    H1   ALA   1           H2       ALA   1 -14.627  -2.663   0.580
    2    H2   ALA   1           H1       ALA   1 -15.332  -2.766  -0.982
    3    H3   ALA   1           H3       ALA   1 -14.312  -1.446  -0.588
    4    HA   ALA   1           HA       ALA   1 -15.832  -0.461   0.735
    5    HB3  ALA   1           HB1      ALA   1 -16.738  -0.002  -1.301
    6    HB1  ALA   1           HB2      ALA   1 -18.092  -0.878  -0.587
    7    HB2  ALA   1           HB3      ALA   1 -16.995  -1.702  -1.696

  No H/Q in entry =           7
  In of MODEL   35
    1    H    MET   2           H        MET   2 -17.555  -3.451  -0.166
    2    HA   MET   2           HA       MET   2 -19.163  -3.478   2.145
    3    HB2  MET   2           HB2      MET   2 -18.428  -5.855   0.432
    4    HB3  MET   2           HB3      MET   2 -19.849  -5.685   1.453
    5    HG2  MET   2           HG2      MET   2 -19.514  -3.616  -0.608
    6    HG3  MET   2           HG3      MET   2 -19.827  -5.246  -1.201
    7    HE1  MET   2           HE1      MET   2 -21.791  -4.516  -2.370
    8    HE3  MET   2           HE2      MET   2 -23.398  -4.433  -1.648
    9    HE2  MET   2           HE3      MET   2 -22.485  -5.942  -1.598

  No H/Q in entry =           9
  In of MODEL   35
    1    H    ASP   3           H        ASP   3 -16.604  -5.816   1.297
    2    HA   ASP   3           HA       ASP   3 -15.832  -5.878   4.132
    3    HB2  ASP   3           HB2      ASP   3 -16.090  -8.322   2.367
    4    HB3  ASP   3           HB3      ASP   3 -15.611  -8.300   4.061

  No H/Q in entry =           4
  In of MODEL   35
    1    H    CYS   4           H        CYS   4 -13.655  -6.608   4.527
    2    HA   CYS   4           HA       CYS   4 -11.411  -6.603   4.160
    3    HB2  CYS   4           HB2      CYS   4 -12.318  -7.464   1.410
    4    HB3  CYS   4           HB3      CYS   4 -10.628  -7.394   1.895

  No H/Q in entry =           4
  In of MODEL   35
    1    H    THR   5           H        THR   5  -9.755  -5.234   3.486
    2    HA   THR   5           HA       THR   5 -10.670  -2.704   2.381
    3    HB   THR   5           HB       THR   5  -7.837  -3.187   3.196
    4    HG1  THR   5           HG1      THR   5  -9.962  -2.819   5.035
    5   HG23  THR   5          HG21      THR   5  -7.735  -0.978   3.611
    6   HG22  THR   5          HG22      THR   5  -9.402  -0.894   4.182
    7   HG21  THR   5          HG23      THR   5  -9.063  -0.938   2.451

  No H/Q in entry =           7
  In of MODEL   35
    1    H    THR   6           H        THR   6 -10.703  -2.546   0.231
    2    HA   THR   6           HA       THR   6  -8.680  -3.943  -1.350
    3    HB   THR   6           HB       THR   6 -10.302  -2.755  -3.186
    4    HG1  THR   6           HG1      THR   6 -11.987  -3.431  -1.014
    5   HG23  THR   6          HG21      THR   6 -10.667  -4.857  -3.747
    6   HG22  THR   6          HG22      THR   6 -11.636  -5.119  -2.298
    7   HG21  THR   6          HG23      THR   6  -9.889  -5.358  -2.245

  No H/Q in entry =           7
  In of MODEL   35
    1    H    GLY   7           H        GLY   7  -7.466  -2.867  -2.984
    2    HA3  GLY   7           HA2      GLY   7  -7.297  -0.385  -3.867
    3    HA2  GLY   7           HA3      GLY   7  -6.775  -0.135  -2.208

  No H/Q in entry =           3
  In of MODEL   35
    1    HA   PRO   8           HA       PRO   8  -3.017  -1.194  -4.688
    2    HB2  PRO   8           HB2      PRO   8  -1.494   0.889  -3.952
    3    HB3  PRO   8           HB3      PRO   8  -2.714   1.035  -5.223
    4    HG2  PRO   8           HG2      PRO   8  -2.868   1.856  -2.347
    5    HG3  PRO   8           HG3      PRO   8  -3.413   2.730  -3.791
    6    HD2  PRO   8           HD2      PRO   8  -5.080   1.284  -2.170
    7    HD3  PRO   8           HD3      PRO   8  -5.388   1.572  -3.893

  No H/Q in entry =           7
  In of MODEL   35
    1    H    CYS   9           H        CYS   9  -3.486  -0.357  -1.309
    2    HA   CYS   9           HA       CYS   9  -1.101  -1.953  -0.629
    3    HB2  CYS   9           HB2      CYS   9  -0.916   0.375   0.115
    4    HB3  CYS   9           HB3      CYS   9  -2.433   0.225   0.993

  No H/Q in entry =           4
  In of MODEL   35
    1    H    CYS  10           H        CYS  10  -2.708  -3.758  -0.997
    2    HA   CYS  10           HA       CYS  10  -3.767  -4.544   1.593
    3    HB2  CYS  10           HB2      CYS  10  -5.633  -5.136  -0.623
    4    HB3  CYS  10           HB3      CYS  10  -5.969  -4.717   1.052

  No H/Q in entry =           4
  In of MODEL   35
    1    H    ARG  11           H        ARG  11  -3.019  -6.512   1.989
    2    HA   ARG  11           HA       ARG  11  -1.682  -8.096   0.116
    3    HB2  ARG  11           HB2      ARG  11  -2.668  -8.477   2.891
    4    HB3  ARG  11           HB3      ARG  11  -2.282  -9.930   1.980
    5    HG2  ARG  11           HG2      ARG  11  -0.263  -7.787   1.894
    6    HG3  ARG  11           HG3      ARG  11  -0.501  -8.571   3.457
    7    HD2  ARG  11           HD2      ARG  11   1.224  -9.746   2.283
    8    HD3  ARG  11           HD3      ARG  11  -0.211 -10.769   2.326
    9    HE   ARG  11           HE       ARG  11  -0.003  -9.171  -0.054
   10   HH11  ARG  11          HH11      ARG  11   0.930 -12.170   1.469
   11   HH12  ARG  11          HH12      ARG  11   1.185 -12.997  -0.031
   12   HH21  ARG  11          HH21      ARG  11   0.332 -10.258  -2.027
   13   HH22  ARG  11          HH22      ARG  11   0.846 -11.912  -2.016

  No H/Q in entry =          13
  In of MODEL   35
    1    H    GLN  12           H        GLN  12  -4.488  -9.406   1.836
    2    HA   GLN  12           HA       GLN  12  -5.701 -10.130  -0.733
    3    HB2  GLN  12           HB2      GLN  12  -4.938 -12.004   1.489
    4    HB3  GLN  12           HB3      GLN  12  -6.232 -12.401   0.367
    5    HG2  GLN  12           HG2      GLN  12  -3.555 -11.601  -0.678
    6    HG3  GLN  12           HG3      GLN  12  -3.817 -13.238  -0.077
    7   HE21  GLN  12          HE21      GLN  12  -6.012 -14.153  -0.936
    8   HE22  GLN  12          HE22      GLN  12  -6.227 -14.008  -2.644

  No H/Q in entry =           8
  In of MODEL   35
    1    H    CYS  13           H        CYS  13  -6.141  -8.503   2.006
    2    HA   CYS  13           HA       CYS  13  -8.892  -8.251   1.786
    3    HB2  CYS  13           HB2      CYS  13  -9.091 -10.526   2.601
    4    HB3  CYS  13           HB3      CYS  13  -8.057 -10.162   3.977

  No H/Q in entry =           4
  In of MODEL   35
    1    H    LYS  14           H        LYS  14  -6.085  -8.148   3.903
    2    HA   LYS  14           HA       LYS  14  -7.210  -5.751   5.190
    3    HB2  LYS  14           HB2      LYS  14  -5.636  -6.187   7.037
    4    HB3  LYS  14           HB3      LYS  14  -6.747  -7.527   6.787
    5    HG2  LYS  14           HG2      LYS  14  -5.111  -8.947   6.138
    6    HG3  LYS  14           HG3      LYS  14  -4.157  -7.674   5.374
    7    HD2  LYS  14           HD2      LYS  14  -2.813  -7.968   7.162
    8    HD3  LYS  14           HD3      LYS  14  -3.989  -6.926   7.965
    9    HE2  LYS  14           HE2      LYS  14  -5.009  -8.698   9.054
   10    HE3  LYS  14           HE3      LYS  14  -4.411  -9.884   7.895
   11    HZ3  LYS  14           HZ1      LYS  14  -3.008 -10.300   9.605
   12    HZ2  LYS  14           HZ2      LYS  14  -3.082  -8.726  10.221
   13    HZ1  LYS  14           HZ3      LYS  14  -2.117  -9.061   8.874

  No H/Q in entry =          13
  In of MODEL   35
    1    H    LEU  15           H        LEU  15  -6.040  -3.868   5.217
    2    HA   LEU  15           HA       LEU  15  -4.355  -3.275   3.123
    3    HB2  LEU  15           HB2      LEU  15  -3.965  -1.196   4.136
    4    HB3  LEU  15           HB3      LEU  15  -5.560  -1.676   4.681
    5    HG   LEU  15           HG       LEU  15  -4.013  -2.649   6.700
    6   HD13  LEU  15          HD11      LEU  15  -2.124  -1.491   7.064
    7   HD12  LEU  15          HD12      LEU  15  -2.803   0.015   6.446
    8   HD11  LEU  15          HD13      LEU  15  -2.187  -1.201   5.325
    9   HD21  LEU  15          HD21      LEU  15  -6.050  -0.907   6.454
   10   HD23  LEU  15          HD22      LEU  15  -4.766   0.188   6.966
   11   HD22  LEU  15          HD23      LEU  15  -5.191  -1.201   7.966

  No H/Q in entry =          11
  In of MODEL   35
    1    H    LYS  16           H        LYS  16  -2.284  -3.653   2.664
    2    HA   LYS  16           HA       LYS  16  -0.687  -5.426   3.989
    3    HB2  LYS  16           HB2      LYS  16  -0.342  -3.506   1.852
    4    HB3  LYS  16           HB3      LYS  16   1.124  -3.634   2.814
    5    HG2  LYS  16           HG2      LYS  16   0.843  -6.171   2.533
    6    HG3  LYS  16           HG3      LYS  16  -0.280  -5.755   1.237
    7    HD2  LYS  16           HD2      LYS  16   1.816  -4.160   0.617
    8    HD3  LYS  16           HD3      LYS  16   2.654  -5.528   1.351
    9    HE2  LYS  16           HE2      LYS  16   1.642  -7.056  -0.195
   10    HE3  LYS  16           HE3      LYS  16   0.599  -5.787  -0.838
   11    HZ2  LYS  16           HZ1      LYS  16   3.408  -6.330  -1.369
   12    HZ1  LYS  16           HZ2      LYS  16   2.973  -4.699  -1.265
   13    HZ3  LYS  16           HZ3      LYS  16   2.212  -5.705  -2.391

  No H/Q in entry =          13
  In of MODEL   35
    1    HA   PRO  17           HA       PRO  17   1.089  -3.429   7.499
    2    HB2  PRO  17           HB2      PRO  17   3.570  -4.478   7.599
    3    HB3  PRO  17           HB3      PRO  17   2.124  -5.441   7.929
    4    HG2  PRO  17           HG2      PRO  17   3.765  -5.276   5.431
    5    HG3  PRO  17           HG3      PRO  17   3.068  -6.703   6.219
    6    HD2  PRO  17           HD2      PRO  17   1.938  -5.487   4.058
    7    HD3  PRO  17           HD3      PRO  17   0.999  -6.362   5.283

  No H/Q in entry =           7
  In of MODEL   35
    1    H    ALA  18           H        ALA  18   2.418  -1.786   8.211
    2    HA   ALA  18           HA       ALA  18   3.205   0.164   6.375
    3    HB2  ALA  18           HB1      ALA  18   2.701   0.367   8.896
    4    HB3  ALA  18           HB2      ALA  18   3.935   1.415   8.197
    5    HB1  ALA  18           HB3      ALA  18   4.409  -0.015   9.113

  No H/Q in entry =           5
  In of MODEL   35
    1    H    GLY  19           H        GLY  19   5.450   1.091   6.219
    2    HA3  GLY  19           HA2      GLY  19   7.617   0.869   5.499
    3    HA2  GLY  19           HA3      GLY  19   7.762  -0.405   6.699

  No H/Q in entry =           3
  In of MODEL   35
    1    H    THR  20           H        THR  20   5.336  -0.860   4.314
    2    HA   THR  20           HA       THR  20   7.126  -2.632   2.790
    3    HB   THR  20           HB       THR  20   4.246  -3.216   3.503
    4    HG1  THR  20           HG1      THR  20   5.543  -3.420   5.328
    5   HG21  THR  20          HG21      THR  20   5.555  -4.239   1.401
    6   HG23  THR  20          HG22      THR  20   4.349  -5.127   2.333
    7   HG22  THR  20          HG23      THR  20   6.066  -5.364   2.658

  No H/Q in entry =           7
  In of MODEL   35
    1    H    THR  21           H        THR  21   7.296  -1.886   0.787
    2    HA   THR  21           HA       THR  21   5.793   0.076  -0.409
    3    HB   THR  21           HB       THR  21   7.966  -0.761  -1.249
    4    HG1  THR  21           HG1      THR  21   7.049   0.440  -2.763
    5   HG21  THR  21          HG21      THR  21   6.774  -3.239  -1.280
    6   HG23  THR  21          HG22      THR  21   8.326  -2.811  -2.002
    7   HG22  THR  21          HG23      THR  21   6.860  -2.791  -2.983

  No H/Q in entry =           7
  In of MODEL   35
    1    H    CYS  22           H        CYS  22   3.715   0.158  -0.847
    2    HA   CYS  22           HA       CYS  22   2.205  -2.286  -1.294
    3    HB2  CYS  22           HB2      CYS  22   0.236  -0.698  -1.278
    4    HB3  CYS  22           HB3      CYS  22   1.164  -0.774   0.214

  No H/Q in entry =           4
  In of MODEL   35
    1    H    TRP  23           H        TRP  23   3.335   0.507  -3.055
    2    HA   TRP  23           HA       TRP  23   1.793  -0.288  -5.402
    3    HB2  TRP  23           HB2      TRP  23   2.314   2.188  -4.408
    4    HB3  TRP  23           HB3      TRP  23   3.584   2.043  -5.618
    5    HD1  TRP  23           HD1      TRP  23   1.073   0.102  -7.165
    6    HE1  TRP  23           HE1      TRP  23  -0.432   1.470  -8.742
    7    HE3  TRP  23           HE3      TRP  23   2.228   4.785  -5.510
    8    HZ2  TRP  23           HZ2      TRP  23  -1.048   4.178  -9.213
    9    HZ3  TRP  23           HZ3      TRP  23   1.142   6.719  -6.578
   10    HH2  TRP  23           HH2      TRP  23  -0.461   6.416  -8.396

  No H/Q in entry =          10
  In of MODEL   35
    1    H    LYS  24           H        LYS  24   5.067   1.028  -5.131
    2    HA   LYS  24           HA       LYS  24   7.032   0.444  -6.114
    3    HB2  LYS  24           HB2      LYS  24   6.624  -1.590  -4.718
    4    HB3  LYS  24           HB3      LYS  24   5.892  -2.349  -6.124
    5    HG2  LYS  24           HG2      LYS  24   7.915  -3.114  -6.620
    6    HG3  LYS  24           HG3      LYS  24   8.338  -1.457  -7.056
    7    HD2  LYS  24           HD2      LYS  24   9.510  -1.105  -5.133
    8    HD3  LYS  24           HD3      LYS  24   8.492  -2.194  -4.186
    9    HE2  LYS  24           HE2      LYS  24   9.635  -4.086  -4.903
   10    HE3  LYS  24           HE3      LYS  24  10.295  -3.270  -6.319
   11    HZ1  LYS  24           HZ1      LYS  24  11.057  -2.497  -3.566
   12    HZ3  LYS  24           HZ2      LYS  24  11.850  -2.132  -5.015
   13    HZ2  LYS  24           HZ3      LYS  24  11.874  -3.712  -4.414

  No H/Q in entry =          13
  In of MODEL   35
    1    H    THR  25           H        THR  25   4.682   1.145  -7.775
    2    HA   THR  25           HA       THR  25   4.482  -0.392 -10.085
    3    HB   THR  25           HB       THR  25   2.940   1.431  -9.638
    4    HG1  THR  25           HG1      THR  25   3.040   1.031 -11.783
    5   HG23  THR  25          HG21      THR  25   3.695   3.347  -8.837
    6   HG22  THR  25          HG22      THR  25   4.208   3.737 -10.479
    7   HG21  THR  25          HG23      THR  25   5.342   2.993  -9.353

  No H/Q in entry =           7
  In of MODEL   35
    1    H    SER  26           H        SER  26   5.273   0.357 -12.305
    2    HA   SER  26           HA       SER  26   8.167   0.540 -12.164
    3    HB2  SER  26           HB2      SER  26   6.590  -0.970 -13.726
    4    HB3  SER  26           HB3      SER  26   6.794   0.417 -14.795
    5    HG   SER  26           HG       SER  26   8.412  -1.287 -14.988

  No H/Q in entry =           5
  In of MODEL   35
    1    H    VAL  27           H        VAL  27   7.479   2.886 -11.304
    2    HA   VAL  27           HA       VAL  27   8.592   4.730 -13.059
    3    HB   VAL  27           HB       VAL  27   6.543   4.488 -14.384
    4   HG13  VAL  27          HG11      VAL  27   4.384   5.170 -13.519
    5   HG12  VAL  27          HG12      VAL  27   5.098   5.510 -11.943
    6   HG11  VAL  27          HG13      VAL  27   5.040   3.853 -12.546
    7   HG23  VAL  27          HG21      VAL  27   6.263   7.177 -13.135
    8   HG22  VAL  27          HG22      VAL  27   6.300   6.721 -14.838
    9   HG21  VAL  27          HG23      VAL  27   7.793   6.750 -13.900

  No H/Q in entry =           9
  In of MODEL   35
    1    H    SER  28           H        SER  28   6.329   4.214 -10.425
    2    HA   SER  28           HA       SER  28   7.277   6.690  -9.156
    3    HB2  SER  28           HB2      SER  28   4.659   5.600  -9.479
    4    HB3  SER  28           HB3      SER  28   5.033   5.633  -7.757
    5    HG   SER  28           HG       SER  28   4.797   7.744  -9.575

  No H/Q in entry =           5
  In of MODEL   35
    1    H    SER  29           H        SER  29   5.779   3.823  -7.735
    2    HA   SER  29           HA       SER  29   6.534   2.289  -6.218
    3    HB2  SER  29           HB2      SER  29   9.245   3.574  -6.075
    4    HB3  SER  29           HB3      SER  29   8.808   1.876  -5.888
    5    HG   SER  29           HG       SER  29   9.121   1.633  -7.942

  No H/Q in entry =           5
  In of MODEL   35
    1    H    HIS  30           H        HIS  30   5.752   2.494  -4.247
    2    HA   HIS  30           HA       HIS  30   6.638   4.748  -2.587
    3    HB2  HIS  30           HB2      HIS  30   3.776   3.824  -2.921
    4    HB3  HIS  30           HB3      HIS  30   4.326   5.080  -1.812
    5    HD1  HIS  30           HD1      HIS  30   3.797   7.314  -2.707
    6    HD2  HIS  30           HD2      HIS  30   4.756   4.633  -5.733
    7    HE1  HIS  30           HE1      HIS  30   3.640   8.631  -4.843
    8    HE2  HIS  30           HE2      HIS  30   4.106   6.959  -6.667

  No H/Q in entry =           8
  In of MODEL   35
    1    H    TYR  31           H        TYR  31   5.804   4.439  -0.267
    2    HA   TYR  31           HA       TYR  31   6.031   1.604   0.497
    3    HB2  TYR  31           HB2      TYR  31   7.604   3.933   1.339
    4    HB3  TYR  31           HB3      TYR  31   6.982   2.979   2.681
    5    HD1  TYR  31           HD1      TYR  31   8.075   1.777  -0.664
    6    HD2  TYR  31           HD2      TYR  31   8.905   1.926   3.506
    7    HE1  TYR  31           HE1      TYR  31   9.900   0.159  -0.975
    8    HE2  TYR  31           HE2      TYR  31  10.734   0.310   3.206
    9    HH   TYR  31           HH       TYR  31  12.287  -0.302   0.883

  No H/Q in entry =           9
  In of MODEL   35
    1    H    CYS  32           H        CYS  32   4.373   0.855   1.687
    2    HA   CYS  32           HA       CYS  32   2.279   2.659   2.455
    3    HB2  CYS  32           HB2      CYS  32   2.150   0.156   1.636
    4    HB3  CYS  32           HB3      CYS  32   2.308  -0.187   3.355

  No H/Q in entry =           4
  In of MODEL   35
    1    H    THR  33           H        THR  33   1.408   2.898   4.561
    2    HA   THR  33           HA       THR  33   3.441   2.652   6.673
    3    HB   THR  33           HB       THR  33   2.616   4.609   7.666
    4    HG1  THR  33           HG1      THR  33   0.329   4.460   6.000
    5   HG21  THR  33          HG21      THR  33   3.741   5.143   5.549
    6   HG23  THR  33          HG22      THR  33   2.503   6.323   5.979
    7   HG22  THR  33          HG23      THR  33   2.177   5.117   4.734

  No H/Q in entry =           7
  In of MODEL   35
    1    H    GLY  34           H        GLY  34   1.322   0.701   5.718
    2    HA3  GLY  34           HA2      GLY  34  -0.250  -0.724   6.618
    3    HA2  GLY  34           HA3      GLY  34   0.725  -0.571   8.071

  No H/Q in entry =           3
  In of MODEL   35
    1    H    ARG  35           H        ARG  35  -0.936   2.174   6.702
    2    HA   ARG  35           HA       ARG  35  -2.656   2.239   9.080
    3    HB2  ARG  35           HB2      ARG  35  -1.620   4.372   7.233
    4    HB3  ARG  35           HB3      ARG  35  -3.004   4.673   8.274
    5    HG2  ARG  35           HG2      ARG  35  -0.608   3.532   9.568
    6    HG3  ARG  35           HG3      ARG  35  -0.486   5.196   8.991
    7    HD2  ARG  35           HD2      ARG  35  -2.946   4.528  10.470
    8    HD3  ARG  35           HD3      ARG  35  -1.456   4.500  11.413
    9    HE   ARG  35           HE       ARG  35  -1.316   6.855  10.080
   10   HH11  ARG  35          HH11      ARG  35  -3.742   5.388  12.116
   11   HH12  ARG  35          HH12      ARG  35  -4.344   6.902  12.703
   12   HH21  ARG  35          HH21      ARG  35  -2.107   8.847  10.851
   13   HH22  ARG  35          HH22      ARG  35  -3.416   8.866  11.985

  No H/Q in entry =          13
  In of MODEL   35
    1    H    SER  36           H        SER  36  -2.700   2.260   5.582
    2    HA   SER  36           HA       SER  36  -5.430   1.404   5.532
    3    HB2  SER  36           HB2      SER  36  -5.901   3.757   5.780
    4    HB3  SER  36           HB3      SER  36  -4.745   4.170   4.514
    5    HG   SER  36           HG       SER  36  -7.249   2.889   4.269

  No H/Q in entry =           5
  In of MODEL   35
    1    H    CYS  37           H        CYS  37  -6.205   1.247   3.170
    2    HA   CYS  37           HA       CYS  37  -4.205  -0.168   1.717
    3    HB2  CYS  37           HB2      CYS  37  -7.095   0.413   1.374
    4    HB3  CYS  37           HB3      CYS  37  -6.188   0.009  -0.080

  No H/Q in entry =           4
  In of MODEL   35
    1    H    GLU  38           H        GLU  38  -5.281   3.097   1.739
    2    HA   GLU  38           HA       GLU  38  -4.515   3.774  -0.924
    3    HB2  GLU  38           HB2      GLU  38  -6.129   5.093   0.435
    4    HB3  GLU  38           HB3      GLU  38  -4.802   5.588   1.477
    5    HG2  GLU  38           HG2      GLU  38  -3.724   6.697  -0.406
    6    HG3  GLU  38           HG3      GLU  38  -5.040   6.187  -1.463

  No H/Q in entry =           6
  In of MODEL   35
    1    H    CYS  39           H        CYS  39  -2.573   4.295  -1.726
    2    HA   CYS  39           HA       CYS  39  -0.285   4.228   0.092
    3    HB2  CYS  39           HB2      CYS  39  -0.405   4.128  -2.931
    4    HB3  CYS  39           HB3      CYS  39   1.064   3.990  -1.970

  No H/Q in entry =           4
  In of MODEL   35
    1    HA   PRO  40           HA       PRO  40   0.382   8.598   0.112
    2    HB2  PRO  40           HB2      PRO  40   3.261   7.914  -0.195
    3    HB3  PRO  40           HB3      PRO  40   2.464   8.905   1.031
    4    HG2  PRO  40           HG2      PRO  40   3.318   6.449   1.610
    5    HG3  PRO  40           HG3      PRO  40   1.792   7.065   2.272
    6    HD2  PRO  40           HD2      PRO  40   2.251   5.135   0.038
    7    HD3  PRO  40           HD3      PRO  40   0.977   5.150   1.275

  No H/Q in entry =           7
  In of MODEL   35
    1    H    SER  41           H        SER  41   1.774  10.271  -1.128
    2    HA   SER  41           HA       SER  41   1.741   9.526  -3.978
    3    HB2  SER  41           HB2      SER  41   1.596  12.365  -3.000
    4    HB3  SER  41           HB3      SER  41   1.032  11.688  -4.528
    5    HG   SER  41           HG       SER  41  -0.214  11.796  -2.067

  No H/Q in entry =           5
  In of MODEL   35
    1    H    TYR  42           H        TYR  42   3.971   9.184  -2.086
    2    HA   TYR  42           HA       TYR  42   5.992  10.532  -3.681
    3    HB2  TYR  42           HB2      TYR  42   7.195  11.429  -1.782
    4    HB3  TYR  42           HB3      TYR  42   5.549  12.053  -1.762
    5    HD1  TYR  42           HD1      TYR  42   7.802   9.548  -0.217
    6    HD2  TYR  42           HD2      TYR  42   4.139  11.688   0.097
    7    HE1  TYR  42           HE1      TYR  42   7.536   8.742   2.090
    8    HE2  TYR  42           HE2      TYR  42   3.863  10.890   2.406
    9    HH   TYR  42           HH       TYR  42   4.618   9.065   3.826

  No H/Q in entry =           9
  In of MODEL   35
    1    HA   PRO  43           HA       PRO  43   7.951   6.599  -3.200
    2    HB2  PRO  43           HB2      PRO  43  10.502   7.241  -3.826
    3    HB3  PRO  43           HB3      PRO  43   9.214   7.184  -5.035
    4    HG2  PRO  43           HG2      PRO  43  10.381   9.552  -3.621
    5    HG3  PRO  43           HG3      PRO  43   9.967   9.366  -5.336
    6    HD2  PRO  43           HD2      PRO  43   8.365  10.662  -3.570
    7    HD3  PRO  43           HD3      PRO  43   7.731   9.772  -4.969

  No H/Q in entry =           7
  In of MODEL   35
    1    H    GLY  44           H        GLY  44   8.562   5.524  -1.432
    2    HA3  GLY  44           HA2      GLY  44   9.809   7.009   0.760
    3    HA2  GLY  44           HA3      GLY  44   9.042   5.433   0.881

  No H/Q in entry =           3
  In of MODEL   35
    1    H    ASN  45           H        ASN  45  11.529   6.498  -1.404
    2    HA   ASN  45           HA       ASN  45  13.079   4.157  -1.022
    3    HB2  ASN  45           HB2      ASN  45  13.383   6.699  -2.541
    4    HB3  ASN  45           HB3      ASN  45  14.841   5.759  -2.234
    5   HD21  ASN  45          HD21      ASN  45  14.159   6.105  -4.774
    6   HD22  ASN  45          HD22      ASN  45  13.512   4.655  -5.457

  No H/Q in entry =           6
  In of MODEL   35
    1    H    GLY  46           H        GLY  46  13.157   7.361   0.384
    2    HA3  GLY  46           HA2      GLY  46  14.574   6.590   2.659
    3    HA2  GLY  46           HA3      GLY  46  15.744   7.231   1.516

  No H/Q in entry =           3
  In of MODEL   36
    1    H1   ALA   1           H1       ALA   1 -18.448  -8.129   8.561
    2    H2   ALA   1           H3       ALA   1 -16.878  -8.724   8.905
    3    H3   ALA   1           H2       ALA   1 -17.642  -7.640   9.995
    4    HA   ALA   1           HA       ALA   1 -17.416  -5.863   8.615
    5    HB1  ALA   1           HB1      ALA   1 -15.307  -5.995   9.430
    6    HB3  ALA   1           HB2      ALA   1 -14.927  -6.262   7.728
    7    HB2  ALA   1           HB3      ALA   1 -15.058  -7.634   8.828

  No H/Q in entry =           7
  In of MODEL   36
    1    H    MET   2           H        MET   2 -18.088  -5.137   6.716
    2    HA   MET   2           HA       MET   2 -17.858  -6.897   4.373
    3    HB2  MET   2           HB2      MET   2 -20.101  -5.792   5.351
    4    HB3  MET   2           HB3      MET   2 -19.593  -4.490   4.284
    5    HG2  MET   2           HG2      MET   2 -19.850  -5.763   2.383
    6    HG3  MET   2           HG3      MET   2 -19.698  -7.287   3.256
    7    HE1  MET   2           HE1      MET   2 -21.244  -7.907   5.110
    8    HE3  MET   2           HE2      MET   2 -22.992  -7.911   4.882
    9    HE2  MET   2           HE3      MET   2 -22.216  -6.575   5.733

  No H/Q in entry =           9
  In of MODEL   36
    1    H    ASP   3           H        ASP   3 -15.653  -5.311   5.292
    2    HA   ASP   3           HA       ASP   3 -15.265  -3.675   2.894
    3    HB2  ASP   3           HB2      ASP   3 -15.887  -2.303   5.006
    4    HB3  ASP   3           HB3      ASP   3 -14.259  -2.694   5.552

  No H/Q in entry =           4
  In of MODEL   36
    1    H    CYS   4           H        CYS   4 -13.696  -4.752   1.880
    2    HA   CYS   4           HA       CYS   4 -11.452  -5.801   3.460
    3    HB2  CYS   4           HB2      CYS   4 -12.893  -6.756   1.112
    4    HB3  CYS   4           HB3      CYS   4 -11.149  -6.759   0.873

  No H/Q in entry =           4
  In of MODEL   36
    1    H    THR   5           H        THR   5 -12.316  -3.428   1.117
    2    HA   THR   5           HA       THR   5 -11.137  -1.763   0.110
    3    HB   THR   5           HB       THR   5  -8.574  -2.209   1.444
    4    HG1  THR   5           HG1      THR   5  -9.467  -2.880   3.235
    5   HG21  THR   5          HG21      THR   5  -9.336  -0.063   0.431
    6   HG23  THR   5          HG22      THR   5  -8.777   0.061   2.099
    7   HG22  THR   5          HG23      THR   5 -10.505   0.071   1.744

  No H/Q in entry =           7
  In of MODEL   36
    1    H    THR   6           H        THR   6 -10.211  -1.711  -1.842
    2    HA   THR   6           HA       THR   6  -8.240  -3.786  -2.521
    3    HB   THR   6           HB       THR   6  -9.361  -3.672  -4.872
    4    HG1  THR   6           HG1      THR   6 -10.803  -1.959  -4.224
    5   HG22  THR   6          HG21      THR   6 -11.019  -5.037  -2.787
    6   HG21  THR   6          HG22      THR   6  -9.414  -5.617  -3.231
    7   HG23  THR   6          HG23      THR   6 -10.690  -5.537  -4.446

  No H/Q in entry =           7
  In of MODEL   36
    1    H    GLY   7           H        GLY   7  -6.437  -3.013  -3.434
    2    HA3  GLY   7           HA2      GLY   7  -6.222  -1.034  -5.350
    3    HA2  GLY   7           HA3      GLY   7  -6.106  -0.207  -3.805

  No H/Q in entry =           3
  In of MODEL   36
    1    HA   PRO   8           HA       PRO   8  -1.834  -1.522  -4.830
    2    HB2  PRO   8           HB2      PRO   8  -0.616   0.785  -4.174
    3    HB3  PRO   8           HB3      PRO   8  -1.429   0.561  -5.727
    4    HG2  PRO   8           HG2      PRO   8  -2.373   1.989  -3.280
    5    HG3  PRO   8           HG3      PRO   8  -2.565   2.434  -4.983
    6    HD2  PRO   8           HD2      PRO   8  -4.515   1.230  -3.453
    7    HD3  PRO   8           HD3      PRO   8  -4.438   1.155  -5.223

  No H/Q in entry =           7
  In of MODEL   36
    1    H    CYS   9           H        CYS   9  -2.593   0.553  -2.009
    2    HA   CYS   9           HA       CYS   9  -0.514  -0.431  -0.391
    3    HB2  CYS   9           HB2      CYS   9  -2.473   1.540  -0.172
    4    HB3  CYS   9           HB3      CYS   9  -2.822   0.431   1.149

  No H/Q in entry =           4
  In of MODEL   36
    1    H    CYS  10           H        CYS  10  -3.970  -1.280  -0.462
    2    HA   CYS  10           HA       CYS  10  -3.573  -3.410   1.442
    3    HB2  CYS  10           HB2      CYS  10  -5.942  -3.794   1.267
    4    HB3  CYS  10           HB3      CYS  10  -5.667  -2.059   1.359

  No H/Q in entry =           4
  In of MODEL   36
    1    H    ARG  11           H        ARG  11  -3.092  -5.454   1.004
    2    HA   ARG  11           HA       ARG  11  -2.303  -6.339  -1.502
    3    HB2  ARG  11           HB2      ARG  11  -1.565  -7.438   0.525
    4    HB3  ARG  11           HB3      ARG  11  -3.208  -7.942   0.895
    5    HG2  ARG  11           HG2      ARG  11  -3.238  -9.474  -0.916
    6    HG3  ARG  11           HG3      ARG  11  -1.736  -8.823  -1.574
    7    HD2  ARG  11           HD2      ARG  11  -0.435  -9.823   0.051
    8    HD3  ARG  11           HD3      ARG  11  -1.772  -9.941   1.194
    9    HE   ARG  11           HE       ARG  11  -0.994 -11.892  -0.710
   10   HH11  ARG  11          HH11      ARG  11  -3.808 -10.504   0.816
   11   HH12  ARG  11          HH12      ARG  11  -4.769 -11.931   0.627
   12   HH21  ARG  11          HH21      ARG  11  -2.257 -13.771  -0.961
   13   HH22  ARG  11          HH22      ARG  11  -3.889 -13.787  -0.381

  No H/Q in entry =          13
  In of MODEL   36
    1    H    GLN  12           H        GLN  12  -4.980  -8.008   0.120
    2    HA   GLN  12           HA       GLN  12  -6.660  -7.624  -2.240
    3    HB2  GLN  12           HB2      GLN  12  -5.173  -9.816  -2.217
    4    HB3  GLN  12           HB3      GLN  12  -6.459 -10.395  -1.167
    5    HG2  GLN  12           HG2      GLN  12  -7.201  -9.108  -3.741
    6    HG3  GLN  12           HG3      GLN  12  -6.544 -10.744  -3.769
    7   HE21  GLN  12          HE21      GLN  12  -7.611 -12.311  -2.306
    8   HE22  GLN  12          HE22      GLN  12  -9.325 -12.202  -2.117

  No H/Q in entry =           8
  In of MODEL   36
    1    H    CYS  13           H        CYS  13  -6.491  -7.263   0.932
    2    HA   CYS  13           HA       CYS  13  -9.237  -7.054   1.354
    3    HB2  CYS  13           HB2      CYS  13  -8.172  -9.734   1.757
    4    HB3  CYS  13           HB3      CYS  13  -8.946  -9.103   3.206

  No H/Q in entry =           4
  In of MODEL   36
    1    H    LYS  14           H        LYS  14  -6.053  -7.549   2.761
    2    HA   LYS  14           HA       LYS  14  -6.858  -5.794   4.987
    3    HB2  LYS  14           HB2      LYS  14  -6.148  -8.317   5.384
    4    HB3  LYS  14           HB3      LYS  14  -4.530  -7.638   5.269
    5    HG2  LYS  14           HG2      LYS  14  -4.704  -6.524   7.234
    6    HG3  LYS  14           HG3      LYS  14  -6.440  -6.258   7.058
    7    HD2  LYS  14           HD2      LYS  14  -5.532  -9.056   7.418
    8    HD3  LYS  14           HD3      LYS  14  -5.413  -7.987   8.817
    9    HE2  LYS  14           HE2      LYS  14  -7.884  -7.366   8.051
   10    HE3  LYS  14           HE3      LYS  14  -7.808  -8.998   7.387
   11    HZ1  LYS  14           HZ1      LYS  14  -6.947  -8.566  10.157
   12    HZ3  LYS  14           HZ2      LYS  14  -7.654  -9.930   9.451
   13    HZ2  LYS  14           HZ3      LYS  14  -8.606  -8.582   9.822

  No H/Q in entry =          13
  In of MODEL   36
    1    H    LEU  15           H        LEU  15  -5.769  -3.946   5.199
    2    HA   LEU  15           HA       LEU  15  -4.065  -2.925   3.294
    3    HB2  LEU  15           HB2      LEU  15  -3.294  -1.373   5.212
    4    HB3  LEU  15           HB3      LEU  15  -4.973  -1.334   4.707
    5    HG   LEU  15           HG       LEU  15  -4.685  -3.271   6.797
    6   HD12  LEU  15          HD11      LEU  15  -3.933  -0.566   7.797
    7   HD11  LEU  15          HD12      LEU  15  -2.676  -1.653   7.208
    8   HD13  LEU  15          HD13      LEU  15  -3.713  -2.147   8.546
    9   HD23  LEU  15          HD21      LEU  15  -5.993  -0.704   7.372
   10   HD22  LEU  15          HD22      LEU  15  -6.616  -2.349   7.485
   11   HD21  LEU  15          HD23      LEU  15  -6.565  -1.531   5.923

  No H/Q in entry =          11
  In of MODEL   36
    1    H    LYS  16           H        LYS  16  -2.095  -3.528   2.682
    2    HA   LYS  16           HA       LYS  16  -0.509  -5.423   3.855
    3    HB2  LYS  16           HB2      LYS  16   0.293  -3.072   2.139
    4    HB3  LYS  16           HB3      LYS  16   1.397  -4.369   2.572
    5    HG2  LYS  16           HG2      LYS  16  -0.020  -5.985   1.444
    6    HG3  LYS  16           HG3      LYS  16  -1.181  -4.714   1.054
    7    HD2  LYS  16           HD2      LYS  16   0.668  -3.545  -0.182
    8    HD3  LYS  16           HD3      LYS  16   1.649  -4.993   0.055
    9    HE2  LYS  16           HE2      LYS  16  -0.310  -6.253  -1.021
   10    HE3  LYS  16           HE3      LYS  16  -0.866  -4.666  -1.551
   11    HZ1  LYS  16           HZ1      LYS  16   1.619  -4.522  -2.372
   12    HZ3  LYS  16           HZ2      LYS  16   0.412  -5.234  -3.319
   13    HZ2  LYS  16           HZ3      LYS  16   1.461  -6.206  -2.416

  No H/Q in entry =          13
  In of MODEL   36
    1    HA   PRO  17           HA       PRO  17   1.118  -3.713   7.600
    2    HB2  PRO  17           HB2      PRO  17   3.623  -4.932   7.483
    3    HB3  PRO  17           HB3      PRO  17   2.164  -5.642   8.180
    4    HG2  PRO  17           HG2      PRO  17   3.371  -6.054   5.483
    5    HG3  PRO  17           HG3      PRO  17   2.572  -7.225   6.548
    6    HD2  PRO  17           HD2      PRO  17   1.320  -6.212   4.410
    7    HD3  PRO  17           HD3      PRO  17   0.445  -6.525   5.925

  No H/Q in entry =           7
  In of MODEL   36
    1    H    ALA  18           H        ALA  18   2.238  -1.925   8.160
    2    HA   ALA  18           HA       ALA  18   3.176  -0.101   6.354
    3    HB2  ALA  18           HB1      ALA  18   2.695   0.412   8.703
    4    HB3  ALA  18           HB2      ALA  18   4.271   1.030   8.208
    5    HB1  ALA  18           HB3      ALA  18   4.166  -0.435   9.184

  No H/Q in entry =           5
  In of MODEL   36
    1    H    GLY  19           H        GLY  19   5.222   0.568   5.620
    2    HA3  GLY  19           HA2      GLY  19   7.484   0.361   5.130
    3    HA2  GLY  19           HA3      GLY  19   7.560  -1.031   6.200

  No H/Q in entry =           3
  In of MODEL   36
    1    H    THR  20           H        THR  20   4.994  -1.315   4.039
    2    HA   THR  20           HA       THR  20   6.601  -3.082   2.320
    3    HB   THR  20           HB       THR  20   3.629  -3.192   2.871
    4    HG1  THR  20           HG1      THR  20   5.800  -4.642   3.955
    5   HG22  THR  20          HG21      THR  20   4.199  -5.647   2.055
    6   HG21  THR  20          HG22      THR  20   5.422  -4.773   1.133
    7   HG23  THR  20          HG23      THR  20   3.716  -4.367   0.942

  No H/Q in entry =           7
  In of MODEL   36
    1    H    THR  21           H        THR  21   6.995  -2.285   0.375
    2    HA   THR  21           HA       THR  21   6.099   0.006  -0.754
    3    HB   THR  21           HB       THR  21   7.915  -1.195  -1.744
    4    HG1  THR  21           HG1      THR  21   7.218  -0.121  -3.415
    5   HG21  THR  21          HG21      THR  21   6.039  -3.404  -1.786
    6   HG23  THR  21          HG22      THR  21   7.803  -3.405  -1.824
    7   HG22  THR  21          HG23      THR  21   6.888  -3.186  -3.317

  No H/Q in entry =           7
  In of MODEL   36
    1    H    CYS  22           H        CYS  22   3.981   0.542  -0.649
    2    HA   CYS  22           HA       CYS  22   1.836  -1.191  -1.205
    3    HB2  CYS  22           HB2      CYS  22   0.506   0.951  -1.406
    4    HB3  CYS  22           HB3      CYS  22   1.383   0.736   0.102

  No H/Q in entry =           4
  In of MODEL   36
    1    H    TRP  23           H        TRP  23   3.997   0.427  -3.310
    2    HA   TRP  23           HA       TRP  23   2.221  -0.217  -5.561
    3    HB2  TRP  23           HB2      TRP  23   2.935   2.335  -4.872
    4    HB3  TRP  23           HB3      TRP  23   4.150   1.933  -6.081
    5    HD1  TRP  23           HD1      TRP  23   1.654  -0.020  -7.452
    6    HE1  TRP  23           HE1      TRP  23   0.116   1.224  -9.101
    7    HE3  TRP  23           HE3      TRP  23   2.732   4.777  -6.090
    8    HZ2  TRP  23           HZ2      TRP  23  -0.548   3.888  -9.732
    9    HZ3  TRP  23           HZ3      TRP  23   1.608   6.622  -7.268
   10    HH2  TRP  23           HH2      TRP  23   0.004   6.182  -9.056

  No H/Q in entry =          10
  In of MODEL   36
    1    H    LYS  24           H        LYS  24   5.570   0.928  -5.419
    2    HA   LYS  24           HA       LYS  24   7.520   0.035  -6.178
    3    HB2  LYS  24           HB2      LYS  24   6.172  -2.120  -5.021
    4    HB3  LYS  24           HB3      LYS  24   6.685  -2.712  -6.594
    5    HG2  LYS  24           HG2      LYS  24   8.950  -1.496  -5.745
    6    HG3  LYS  24           HG3      LYS  24   8.268  -2.050  -4.215
    7    HD2  LYS  24           HD2      LYS  24   8.074  -4.320  -5.148
    8    HD3  LYS  24           HD3      LYS  24   8.812  -3.752  -6.647
    9    HE2  LYS  24           HE2      LYS  24  10.835  -3.136  -5.405
   10    HE3  LYS  24           HE3      LYS  24  10.095  -3.724  -3.916
   11    HZ1  LYS  24           HZ1      LYS  24  10.283  -5.547  -6.205
   12    HZ3  LYS  24           HZ2      LYS  24  10.322  -5.891  -4.549
   13    HZ2  LYS  24           HZ3      LYS  24  11.683  -5.234  -5.308

  No H/Q in entry =          13
  In of MODEL   36
    1    H    THR  25           H        THR  25   5.214   0.831  -7.963
    2    HA   THR  25           HA       THR  25   5.060  -0.743 -10.245
    3    HB   THR  25           HB       THR  25   3.661   1.279  -9.736
    4    HG1  THR  25           HG1      THR  25   4.770   1.623 -12.290
    5   HG23  THR  25          HG21      THR  25   4.485   3.318  -9.583
    6   HG22  THR  25          HG22      THR  25   5.258   3.176 -11.163
    7   HG21  THR  25          HG23      THR  25   6.102   2.630  -9.715

  No H/Q in entry =           7
  In of MODEL   36
    1    H    SER  26           H        SER  26   5.935   0.100 -12.460
    2    HA   SER  26           HA       SER  26   8.813  -0.079 -12.277
    3    HB2  SER  26           HB2      SER  26   8.739  -0.319 -14.721
    4    HB3  SER  26           HB3      SER  26   7.601  -1.416 -13.940
    5    HG   SER  26           HG       SER  26   5.929  -0.140 -14.571

  No H/Q in entry =           5
  In of MODEL   36
    1    H    VAL  27           H        VAL  27   7.055   2.490 -11.745
    2    HA   VAL  27           HA       VAL  27   9.056   4.309 -12.709
    3    HB   VAL  27           HB       VAL  27   7.280   5.795 -13.818
    4   HG13  VAL  27          HG11      VAL  27   7.901   5.031 -15.906
    5   HG12  VAL  27          HG12      VAL  27   7.818   3.336 -15.426
    6   HG11  VAL  27          HG13      VAL  27   9.159   4.343 -14.879
    7   HG22  VAL  27          HG21      VAL  27   5.367   4.721 -14.774
    8   HG21  VAL  27          HG22      VAL  27   5.364   4.398 -13.040
    9   HG23  VAL  27          HG23      VAL  27   5.884   3.148 -14.170

  No H/Q in entry =           9
  In of MODEL   36
    1    H    SER  28           H        SER  28   7.797   3.457 -10.173
    2    HA   SER  28           HA       SER  28   7.843   5.772  -8.725
    3    HB2  SER  28           HB2      SER  28   5.399   5.613 -10.237
    4    HB3  SER  28           HB3      SER  28   5.030   5.535  -8.514
    5    HG   SER  28           HG       SER  28   6.134   7.466  -8.223

  No H/Q in entry =           5
  In of MODEL   36
    1    H    SER  29           H        SER  29   8.761   4.354  -7.245
    2    HA   SER  29           HA       SER  29   7.066   2.240  -6.143
    3    HB2  SER  29           HB2      SER  29   9.956   2.875  -5.495
    4    HB3  SER  29           HB3      SER  29   9.068   1.419  -5.045
    5    HG   SER  29           HG       SER  29   8.841   1.025  -7.337

  No H/Q in entry =           5
  In of MODEL   36
    1    H    HIS  30           H        HIS  30   6.139   2.337  -4.186
    2    HA   HIS  30           HA       HIS  30   6.856   4.592  -2.430
    3    HB2  HIS  30           HB2      HIS  30   4.066   3.534  -2.930
    4    HB3  HIS  30           HB3      HIS  30   4.496   4.883  -1.881
    5    HD1  HIS  30           HD1      HIS  30   3.735   6.953  -2.993
    6    HD2  HIS  30           HD2      HIS  30   5.408   4.274  -5.690
    7    HE1  HIS  30           HE1      HIS  30   3.735   8.143  -5.208
    8    HE2  HIS  30           HE2      HIS  30   4.846   6.541  -6.804

  No H/Q in entry =           8
  In of MODEL   36
    1    H    TYR  31           H        TYR  31   5.008   3.898  -0.370
    2    HA   TYR  31           HA       TYR  31   5.554   1.172   0.407
    3    HB2  TYR  31           HB2      TYR  31   7.030   3.484   1.554
    4    HB3  TYR  31           HB3      TYR  31   6.503   2.225   2.667
    5    HD1  TYR  31           HD1      TYR  31   7.073  -0.233   1.893
    6    HD2  TYR  31           HD2      TYR  31   9.089   3.252   0.524
    7    HE1  TYR  31           HE1      TYR  31   9.006  -1.611   1.258
    8    HE2  TYR  31           HE2      TYR  31  11.032   1.885  -0.113
    9    HH   TYR  31           HH       TYR  31  10.930  -1.454  -0.358

  No H/Q in entry =           9
  In of MODEL   36
    1    H    CYS  32           H        CYS  32   3.942   0.390   1.605
    2    HA   CYS  32           HA       CYS  32   1.739   2.078   2.281
    3    HB2  CYS  32           HB2      CYS  32   1.805  -0.467   1.591
    4    HB3  CYS  32           HB3      CYS  32   1.983  -0.715   3.323

  No H/Q in entry =           4
  In of MODEL   36
    1    H    THR  33           H        THR  33   0.900   2.522   4.337
    2    HA   THR  33           HA       THR  33   2.922   2.483   6.466
    3    HB   THR  33           HB       THR  33   1.901   4.401   7.384
    4    HG1  THR  33           HG1      THR  33  -0.146   4.931   7.092
    5   HG21  THR  33          HG21      THR  33   3.075   4.936   5.301
    6   HG23  THR  33          HG22      THR  33   1.723   6.026   5.609
    7   HG22  THR  33          HG23      THR  33   1.563   4.739   4.413

  No H/Q in entry =           7
  In of MODEL   36
    1    H    GLY  34           H        GLY  34   0.887   0.348   5.621
    2    HA3  GLY  34           HA2      GLY  34  -0.579  -1.122   6.624
    3    HA2  GLY  34           HA3      GLY  34   0.449  -0.880   8.027

  No H/Q in entry =           3
  In of MODEL   36
    1    H    ARG  35           H        ARG  35  -1.861   1.267   6.369
    2    HA   ARG  35           HA       ARG  35  -3.444   1.349   8.840
    3    HB2  ARG  35           HB2      ARG  35  -1.777   3.371   8.246
    4    HB3  ARG  35           HB3      ARG  35  -3.185   3.884   7.327
    5    HG2  ARG  35           HG2      ARG  35  -3.691   3.037  10.105
    6    HG3  ARG  35           HG3      ARG  35  -2.768   4.527   9.894
    7    HD2  ARG  35           HD2      ARG  35  -5.175   4.228   8.210
    8    HD3  ARG  35           HD3      ARG  35  -5.456   4.431   9.939
    9    HE   ARG  35           HE       ARG  35  -3.615   6.343   8.836
   10   HH11  ARG  35          HH11      ARG  35  -6.979   5.615   9.412
   11   HH12  ARG  35          HH12      ARG  35  -7.473   7.274   9.378
   12   HH21  ARG  35          HH21      ARG  35  -4.263   8.526   8.790
   13   HH22  ARG  35          HH22      ARG  35  -5.932   8.927   9.024

  No H/Q in entry =          13
  In of MODEL   36
    1    H    SER  36           H        SER  36  -3.326   2.171   5.401
    2    HA   SER  36           HA       SER  36  -6.094   1.285   5.137
    3    HB2  SER  36           HB2      SER  36  -5.128   4.065   4.687
    4    HB3  SER  36           HB3      SER  36  -6.294   3.414   3.535
    5    HG   SER  36           HG       SER  36  -6.589   3.693   6.339

  No H/Q in entry =           5
  In of MODEL   36
    1    H    CYS  37           H        CYS  37  -6.722   1.406   2.704
    2    HA   CYS  37           HA       CYS  37  -4.733  -0.119   1.285
    3    HB2  CYS  37           HB2      CYS  37  -7.102  -0.752   1.189
    4    HB3  CYS  37           HB3      CYS  37  -7.490   0.791   0.439

  No H/Q in entry =           4
  In of MODEL   36
    1    H    GLU  38           H        GLU  38  -5.197   3.128   1.664
    2    HA   GLU  38           HA       GLU  38  -4.716   3.965  -1.050
    3    HB2  GLU  38           HB2      GLU  38  -4.428   6.230   0.025
    4    HB3  GLU  38           HB3      GLU  38  -5.989   5.464   0.285
    5    HG2  GLU  38           HG2      GLU  38  -5.673   5.258   2.503
    6    HG3  GLU  38           HG3      GLU  38  -3.948   4.937   2.338

  No H/Q in entry =           6
  In of MODEL   36
    1    H    CYS  39           H        CYS  39  -2.811   4.001  -2.019
    2    HA   CYS  39           HA       CYS  39  -0.378   3.699  -0.442
    3    HB2  CYS  39           HB2      CYS  39  -0.644   2.211  -2.344
    4    HB3  CYS  39           HB3      CYS  39  -0.877   3.579  -3.426

  No H/Q in entry =           4
  In of MODEL   36
    1    HA   PRO  40           HA       PRO  40   0.244   8.160  -0.347
    2    HB2  PRO  40           HB2      PRO  40   3.045   7.122  -0.133
    3    HB3  PRO  40           HB3      PRO  40   2.250   8.404   0.788
    4    HG2  PRO  40           HG2      PRO  40   2.577   5.979   1.840
    5    HG3  PRO  40           HG3      PRO  40   1.095   6.908   2.130
    6    HD2  PRO  40           HD2      PRO  40   1.529   4.530   0.412
    7    HD3  PRO  40           HD3      PRO  40   0.059   5.071   1.243

  No H/Q in entry =           7
  In of MODEL   36
    1    H    SER  41           H        SER  41   1.530   9.739  -1.561
    2    HA   SER  41           HA       SER  41   2.086   8.765  -4.276
    3    HB2  SER  41           HB2      SER  41   1.482  10.881  -5.098
    4    HB3  SER  41           HB3      SER  41   0.338  10.607  -3.785
    5    HG   SER  41           HG       SER  41   1.260  12.143  -2.638

  No H/Q in entry =           5
  In of MODEL   36
    1    H    TYR  42           H        TYR  42   3.967   8.648  -1.990
    2    HA   TYR  42           HA       TYR  42   6.210   9.925  -3.339
    3    HB2  TYR  42           HB2      TYR  42   7.069  10.971  -1.334
    4    HB3  TYR  42           HB3      TYR  42   5.433  11.551  -1.625
    5    HD1  TYR  42           HD1      TYR  42   3.626  10.984  -0.116
    6    HD2  TYR  42           HD2      TYR  42   7.555   9.493   0.546
    7    HE1  TYR  42           HE1      TYR  42   2.985  10.325   2.164
    8    HE2  TYR  42           HE2      TYR  42   6.925   8.829   2.827
    9    HH   TYR  42           HH       TYR  42   4.503   9.947   4.467

  No H/Q in entry =           9
  In of MODEL   36
    1    HA   PRO  43           HA       PRO  43   8.139   6.098  -2.264
    2    HB2  PRO  43           HB2      PRO  43  10.742   6.762  -2.522
    3    HB3  PRO  43           HB3      PRO  43   9.663   6.612  -3.915
    4    HG2  PRO  43           HG2      PRO  43  10.560   9.078  -2.470
    5    HG3  PRO  43           HG3      PRO  43  10.431   8.790  -4.215
    6    HD2  PRO  43           HD2      PRO  43   8.547  10.142  -2.797
    7    HD3  PRO  43           HD3      PRO  43   8.163   9.179  -4.238

  No H/Q in entry =           7
  In of MODEL   36
    1    H    GLY  44           H        GLY  44   9.285   5.041  -0.605
    2    HA3  GLY  44           HA2      GLY  44   9.065   6.148   1.958
    3    HA2  GLY  44           HA3      GLY  44   9.989   4.710   1.553

  No H/Q in entry =           3
  In of MODEL   36
    1    H    ASN  45           H        ASN  45  12.028   5.535   0.069
    2    HA   ASN  45           HA       ASN  45  13.589   7.089   1.953
    3    HB2  ASN  45           HB2      ASN  45  14.197   5.355  -0.401
    4    HB3  ASN  45           HB3      ASN  45  15.392   6.552   0.088
    5   HD21  ASN  45          HD21      ASN  45  15.033   3.487   0.240
    6   HD22  ASN  45          HD22      ASN  45  15.542   3.119   1.850

  No H/Q in entry =           6
  In of MODEL   36
    1    H    GLY  46           H        GLY  46  12.835   9.194   1.731
    2    HA3  GLY  46           HA2      GLY  46  12.800  10.443  -0.888
    3    HA2  GLY  46           HA3      GLY  46  12.372  11.202   0.637

  No H/Q in entry =           3
  In of MODEL   37
    1    H1   ALA   1           H3       ALA   1 -13.982  -6.584   8.194
    2    H2   ALA   1           H2       ALA   1 -14.818  -7.677   9.221
    3    H3   ALA   1           H1       ALA   1 -13.110  -7.540   9.319
    4    HA   ALA   1           HA       ALA   1 -12.763  -8.597   7.358
    5    HB2  ALA   1           HB1      ALA   1 -13.491 -10.674   7.869
    6    HB1  ALA   1           HB2      ALA   1 -15.171 -10.163   8.036
    7    HB3  ALA   1           HB3      ALA   1 -14.027  -9.877   9.348

  No H/Q in entry =           7
  In of MODEL   37
    1    H    MET   2           H        MET   2 -16.028  -7.371   7.609
    2    HA   MET   2           HA       MET   2 -16.518  -7.954   4.781
    3    HB2  MET   2           HB2      MET   2 -18.179  -8.265   6.866
    4    HB3  MET   2           HB3      MET   2 -18.582  -6.608   6.436
    5    HG2  MET   2           HG2      MET   2 -20.064  -7.606   5.084
    6    HG3  MET   2           HG3      MET   2 -18.675  -7.745   4.008
    7    HE2  MET   2           HE1      MET   2 -17.192 -10.008   6.140
    8    HE1  MET   2           HE2      MET   2 -16.951  -9.907   4.396
    9    HE3  MET   2           HE3      MET   2 -17.485 -11.421   5.127

  No H/Q in entry =           9
  In of MODEL   37
    1    H    ASP   3           H        ASP   3 -14.589  -5.965   5.498
    2    HA   ASP   3           HA       ASP   3 -15.717  -3.729   4.030
    3    HB2  ASP   3           HB2      ASP   3 -16.030  -3.359   6.567
    4    HB3  ASP   3           HB3      ASP   3 -14.285  -3.128   6.608

  No H/Q in entry =           4
  In of MODEL   37
    1    H    CYS   4           H        CYS   4 -14.255  -4.444   2.420
    2    HA   CYS   4           HA       CYS   4 -11.405  -4.113   3.044
    3    HB2  CYS   4           HB2      CYS   4 -12.625  -5.319   0.556
    4    HB3  CYS   4           HB3      CYS   4 -10.938  -5.390   1.055

  No H/Q in entry =           4
  In of MODEL   37
    1    H    THR   5           H        THR   5 -10.060  -2.866   1.673
    2    HA   THR   5           HA       THR   5 -11.504  -0.837   0.096
    3    HB   THR   5           HB       THR   5  -9.029  -0.498   1.796
    4    HG1  THR   5           HG1      THR   5 -10.951  -0.510   2.985
    5   HG23  THR   5          HG21      THR   5  -8.829   0.937  -0.133
    6   HG22  THR   5          HG22      THR   5  -9.215   1.895   1.296
    7   HG21  THR   5          HG23      THR   5 -10.470   1.535   0.111

  No H/Q in entry =           7
  In of MODEL   37
    1    H    THR   6           H        THR   6 -11.187  -2.179  -1.778
    2    HA   THR   6           HA       THR   6  -8.855  -3.230  -2.753
    3    HB   THR   6           HB       THR   6  -9.916  -2.422  -5.068
    4    HG1  THR   6           HG1      THR   6 -11.862  -1.641  -4.893
    5   HG21  THR   6          HG21      THR   6 -10.201  -4.706  -3.456
    6   HG23  THR   6          HG22      THR   6 -10.490  -4.547  -5.189
    7   HG22  THR   6          HG23      THR   6 -11.809  -4.287  -4.048

  No H/Q in entry =           7
  In of MODEL   37
    1    H    GLY   7           H        GLY   7  -6.921  -2.286  -2.826
    2    HA3  GLY   7           HA2      GLY   7  -6.534   0.044  -4.483
    3    HA2  GLY   7           HA3      GLY   7  -6.237   0.341  -2.777

  No H/Q in entry =           3
  In of MODEL   37
    1    HA   PRO   8           HA       PRO   8  -2.472  -1.478  -5.160
    2    HB2  PRO   8           HB2      PRO   8  -0.866   0.721  -4.607
    3    HB3  PRO   8           HB3      PRO   8  -1.679   0.410  -6.144
    4    HG2  PRO   8           HG2      PRO   8  -2.492   2.190  -3.894
    5    HG3  PRO   8           HG3      PRO   8  -2.655   2.440  -5.640
    6    HD2  PRO   8           HD2      PRO   8  -4.747   1.727  -4.114
    7    HD3  PRO   8           HD3      PRO   8  -4.559   1.129  -5.776

  No H/Q in entry =           7
  In of MODEL   37
    1    H    CYS   9           H        CYS   9  -3.159   0.026  -2.097
    2    HA   CYS   9           HA       CYS   9  -0.764  -1.072  -0.855
    3    HB2  CYS   9           HB2      CYS   9  -2.486   1.110  -0.293
    4    HB3  CYS   9           HB3      CYS   9  -2.609  -0.005   1.062

  No H/Q in entry =           4
  In of MODEL   37
    1    H    CYS  10           H        CYS  10  -4.209  -1.656  -1.032
    2    HA   CYS  10           HA       CYS  10  -4.490  -3.442   1.104
    3    HB2  CYS  10           HB2      CYS  10  -6.096  -2.486  -1.021
    4    HB3  CYS  10           HB3      CYS  10  -6.155  -4.241  -1.101

  No H/Q in entry =           4
  In of MODEL   37
    1    H    ARG  11           H        ARG  11  -3.494  -5.314   1.438
    2    HA   ARG  11           HA       ARG  11  -1.956  -6.650  -0.506
    3    HB2  ARG  11           HB2      ARG  11  -2.022  -6.730   2.175
    4    HB3  ARG  11           HB3      ARG  11  -2.933  -8.193   1.830
    5    HG2  ARG  11           HG2      ARG  11  -1.095  -9.087   0.549
    6    HG3  ARG  11           HG3      ARG  11  -0.187  -7.588   0.754
    7    HD2  ARG  11           HD2      ARG  11   0.185  -7.979   3.018
    8    HD3  ARG  11           HD3      ARG  11  -1.141  -9.136   3.134
    9    HE   ARG  11           HE       ARG  11   0.982  -9.983   1.392
   10   HH11  ARG  11          HH11      ARG  11  -0.147  -9.902   4.693
   11   HH12  ARG  11          HH12      ARG  11   0.785 -11.278   5.178
   12   HH21  ARG  11          HH21      ARG  11   2.209 -11.794   2.028
   13   HH22  ARG  11          HH22      ARG  11   2.123 -12.352   3.665

  No H/Q in entry =          13
  In of MODEL   37
    1    H    GLN  12           H        GLN  12  -5.292  -6.698   0.123
    2    HA   GLN  12           HA       GLN  12  -6.063  -8.171  -2.044
    3    HB2  GLN  12           HB2      GLN  12  -5.168  -9.882   0.160
    4    HB3  GLN  12           HB3      GLN  12  -6.800 -10.251  -0.382
    5    HG2  GLN  12           HG2      GLN  12  -4.810  -9.896  -2.516
    6    HG3  GLN  12           HG3      GLN  12  -4.565 -11.291  -1.465
    7   HE21  GLN  12          HE21      GLN  12  -6.935  -9.674  -3.511
    8   HE22  GLN  12          HE22      GLN  12  -7.808 -11.101  -3.942

  No H/Q in entry =           8
  In of MODEL   37
    1    H    CYS  13           H        CYS  13  -6.628  -7.285   1.265
    2    HA   CYS  13           HA       CYS  13  -9.301  -6.427   0.632
    3    HB2  CYS  13           HB2      CYS  13  -8.934  -8.998   1.781
    4    HB3  CYS  13           HB3      CYS  13  -9.600  -7.957   3.034

  No H/Q in entry =           4
  In of MODEL   37
    1    H    LYS  14           H        LYS  14  -6.822  -6.942   3.104
    2    HA   LYS  14           HA       LYS  14  -7.749  -4.499   4.459
    3    HB2  LYS  14           HB2      LYS  14  -6.489  -7.015   5.435
    4    HB3  LYS  14           HB3      LYS  14  -6.090  -5.523   6.275
    5    HG2  LYS  14           HG2      LYS  14  -7.883  -6.203   7.499
    6    HG3  LYS  14           HG3      LYS  14  -8.703  -5.219   6.284
    7    HD2  LYS  14           HD2      LYS  14  -8.991  -7.352   4.949
    8    HD3  LYS  14           HD3      LYS  14  -8.459  -8.217   6.392
    9    HE2  LYS  14           HE2      LYS  14 -10.910  -6.514   6.034
   10    HE3  LYS  14           HE3      LYS  14 -10.822  -8.224   6.454
   11    HZ1  LYS  14           HZ1      LYS  14  -9.774  -7.569   8.566
   12    HZ3  LYS  14           HZ2      LYS  14 -11.337  -6.944   8.399
   13    HZ2  LYS  14           HZ3      LYS  14  -9.996  -5.940   8.164

  No H/Q in entry =          13
  In of MODEL   37
    1    H    LEU  15           H        LEU  15  -6.242  -2.914   5.040
    2    HA   LEU  15           HA       LEU  15  -4.269  -2.301   3.200
    3    HB2  LEU  15           HB2      LEU  15  -3.363  -0.820   5.130
    4    HB3  LEU  15           HB3      LEU  15  -4.943  -0.489   4.447
    5    HG   LEU  15           HG       LEU  15  -4.985  -2.315   6.749
    6   HD11  LEU  15          HD11      LEU  15  -3.545   0.214   6.894
    7   HD13  LEU  15          HD12      LEU  15  -3.600  -1.129   8.036
    8   HD12  LEU  15          HD13      LEU  15  -4.869   0.096   8.054
    9   HD23  LEU  15          HD21      LEU  15  -6.502   0.208   6.714
   10   HD22  LEU  15          HD22      LEU  15  -7.040  -1.440   7.039
   11   HD21  LEU  15          HD23      LEU  15  -6.822  -0.895   5.375

  No H/Q in entry =          11
  In of MODEL   37
    1    H    LYS  16           H        LYS  16  -2.291  -3.034   2.824
    2    HA   LYS  16           HA       LYS  16  -1.144  -5.190   4.115
    3    HB2  LYS  16           HB2      LYS  16  -0.038  -3.040   2.343
    4    HB3  LYS  16           HB3      LYS  16   1.052  -4.209   3.075
    5    HG2  LYS  16           HG2      LYS  16  -0.093  -6.029   2.001
    6    HG3  LYS  16           HG3      LYS  16  -1.320  -4.930   1.370
    7    HD2  LYS  16           HD2      LYS  16   1.045  -3.810   0.496
    8    HD3  LYS  16           HD3      LYS  16   1.342  -5.544   0.355
    9    HE2  LYS  16           HE2      LYS  16  -1.294  -4.770  -0.607
   10    HE3  LYS  16           HE3      LYS  16   0.010  -3.957  -1.471
   11    HZ3  LYS  16           HZ1      LYS  16   0.750  -5.886  -2.359
   12    HZ2  LYS  16           HZ2      LYS  16  -0.865  -6.343  -2.152
   13    HZ1  LYS  16           HZ3      LYS  16   0.301  -6.825  -1.026

  No H/Q in entry =          13
  In of MODEL   37
    1    HA   PRO  17           HA       PRO  17   0.774  -3.748   7.808
    2    HB2  PRO  17           HB2      PRO  17   3.213  -4.977   7.748
    3    HB3  PRO  17           HB3      PRO  17   1.707  -5.814   8.139
    4    HG2  PRO  17           HG2      PRO  17   3.205  -5.717   5.551
    5    HG3  PRO  17           HG3      PRO  17   2.420  -7.098   6.339
    6    HD2  PRO  17           HD2      PRO  17   1.274  -5.778   4.287
    7    HD3  PRO  17           HD3      PRO  17   0.317  -6.480   5.607

  No H/Q in entry =           7
  In of MODEL   37
    1    H    ALA  18           H        ALA  18   1.694  -1.869   8.342
    2    HA   ALA  18           HA       ALA  18   2.856  -0.097   6.597
    3    HB3  ALA  18           HB1      ALA  18   2.043   0.638   8.729
    4    HB2  ALA  18           HB2      ALA  18   3.751   1.061   8.611
    5    HB1  ALA  18           HB3      ALA  18   3.251  -0.328   9.576

  No H/Q in entry =           5
  In of MODEL   37
    1    H    GLY  19           H        GLY  19   4.656  -0.226   5.445
    2    HA3  GLY  19           HA2      GLY  19   7.106  -0.147   5.552
    3    HA2  GLY  19           HA3      GLY  19   7.023  -1.490   6.682

  No H/Q in entry =           3
  In of MODEL   37
    1    H    THR  20           H        THR  20   4.807  -1.655   4.089
    2    HA   THR  20           HA       THR  20   6.574  -3.529   2.662
    3    HB   THR  20           HB       THR  20   3.576  -3.727   3.016
    4    HG1  THR  20           HG1      THR  20   4.977  -4.257   4.862
    5   HG21  THR  20          HG21      THR  20   4.706  -4.693   0.887
    6   HG23  THR  20          HG22      THR  20   3.554  -5.669   1.799
    7   HG22  THR  20          HG23      THR  20   5.286  -5.938   1.992

  No H/Q in entry =           7
  In of MODEL   37
    1    H    THR  21           H        THR  21   6.726  -3.317   0.489
    2    HA   THR  21           HA       THR  21   6.034  -0.905  -0.726
    3    HB   THR  21           HB       THR  21   6.316  -2.868  -2.760
    4    HG1  THR  21           HG1      THR  21   7.171  -4.371  -1.480
    5   HG23  THR  21          HG21      THR  21   7.470  -1.053  -3.355
    6   HG22  THR  21          HG22      THR  21   8.796  -1.836  -2.494
    7   HG21  THR  21          HG23      THR  21   7.825  -0.603  -1.687

  No H/Q in entry =           7
  In of MODEL   37
    1    H    CYS  22           H        CYS  22   4.206  -0.153  -1.546
    2    HA   CYS  22           HA       CYS  22   2.039  -2.064  -2.094
    3    HB2  CYS  22           HB2      CYS  22   0.542  -0.038  -1.860
    4    HB3  CYS  22           HB3      CYS  22   1.347  -0.561  -0.385

  No H/Q in entry =           4
  In of MODEL   37
    1    H    TRP  23           H        TRP  23   4.250  -1.211  -3.923
    2    HA   TRP  23           HA       TRP  23   2.654  -0.894  -6.244
    3    HB2  TRP  23           HB2      TRP  23   3.155   1.497  -5.006
    4    HB3  TRP  23           HB3      TRP  23   4.476   1.406  -6.165
    5    HD1  TRP  23           HD1      TRP  23   1.980  -0.353  -7.947
    6    HE1  TRP  23           HE1      TRP  23   0.586   1.162  -9.491
    7    HE3  TRP  23           HE3      TRP  23   3.200   4.167  -5.934
    8    HZ2  TRP  23           HZ2      TRP  23   0.077   3.918  -9.806
    9    HZ3  TRP  23           HZ3      TRP  23   2.226   6.203  -6.916
   10    HH2  TRP  23           HH2      TRP  23   0.700   6.077  -8.816

  No H/Q in entry =          10
  In of MODEL   37
    1    H    LYS  24           H        LYS  24   5.909   0.300  -5.506
    2    HA   LYS  24           HA       LYS  24   7.966  -0.295  -6.282
    3    HB2  LYS  24           HB2      LYS  24   7.371  -2.468  -5.284
    4    HB3  LYS  24           HB3      LYS  24   6.651  -2.959  -6.809
    5    HG2  LYS  24           HG2      LYS  24   8.670  -3.269  -7.826
    6    HG3  LYS  24           HG3      LYS  24   9.483  -2.066  -6.823
    7    HD2  LYS  24           HD2      LYS  24  10.292  -4.247  -6.218
    8    HD3  LYS  24           HD3      LYS  24   9.296  -3.628  -4.899
    9    HE2  LYS  24           HE2      LYS  24   7.874  -5.210  -6.935
   10    HE3  LYS  24           HE3      LYS  24   9.045  -6.101  -5.964
   11    HZ3  LYS  24           HZ1      LYS  24   7.833  -5.831  -4.086
   12    HZ2  LYS  24           HZ2      LYS  24   6.558  -5.754  -5.195
   13    HZ1  LYS  24           HZ3      LYS  24   7.204  -4.330  -4.550

  No H/Q in entry =          13
  In of MODEL   37
    1    H    THR  25           H        THR  25   6.013   0.913  -8.035
    2    HA   THR  25           HA       THR  25   6.084  -0.270 -10.607
    3    HB   THR  25           HB       THR  25   5.713   2.660  -9.972
    4    HG1  THR  25           HG1      THR  25   3.878   2.171  -9.118
    5   HG23  THR  25          HG21      THR  25   5.835   2.324 -12.326
    6   HG22  THR  25          HG22      THR  25   4.144   2.567 -11.893
    7   HG21  THR  25          HG23      THR  25   4.741   0.944 -12.238

  No H/Q in entry =           7
  In of MODEL   37
    1    H    SER  26           H        SER  26   7.106   0.805 -12.523
    2    HA   SER  26           HA       SER  26   9.910   0.876 -12.190
    3    HB2  SER  26           HB2      SER  26   8.515   1.958 -14.623
    4    HB3  SER  26           HB3      SER  26  10.043   1.083 -14.521
    5    HG   SER  26           HG       SER  26   7.662   0.087 -15.006

  No H/Q in entry =           5
  In of MODEL   37
    1    H    VAL  27           H        VAL  27   7.489   3.373 -12.188
    2    HA   VAL  27           HA       VAL  27   9.628   5.363 -11.836
    3    HB   VAL  27           HB       VAL  27   8.621   5.596 -14.091
    4   HG12  VAL  27          HG11      VAL  27   6.305   6.498 -14.238
    5   HG11  VAL  27          HG12      VAL  27   6.097   6.118 -12.528
    6   HG13  VAL  27          HG13      VAL  27   6.387   4.823 -13.690
    7   HG22  VAL  27          HG21      VAL  27   9.283   7.697 -13.783
    8   HG21  VAL  27          HG22      VAL  27   8.873   7.632 -12.069
    9   HG23  VAL  27          HG23      VAL  27   7.645   8.079 -13.253

  No H/Q in entry =           9
  In of MODEL   37
    1    H    SER  28           H        SER  28   8.146   3.928  -9.828
    2    HA   SER  28           HA       SER  28   7.089   6.222  -8.396
    3    HB2  SER  28           HB2      SER  28   5.339   4.432  -9.657
    4    HB3  SER  28           HB3      SER  28   5.300   3.994  -7.949
    5    HG   SER  28           HG       SER  28   4.794   6.537  -9.097

  No H/Q in entry =           5
  In of MODEL   37
    1    H    SER  29           H        SER  29   6.812   2.735  -7.843
    2    HA   SER  29           HA       SER  29   7.415   1.438  -6.076
    3    HB2  SER  29           HB2      SER  29   9.882   3.149  -6.403
    4    HB3  SER  29           HB3      SER  29   9.810   1.778  -5.295
    5    HG   SER  29           HG       SER  29   9.380   1.691  -8.101

  No H/Q in entry =           5
  In of MODEL   37
    1    H    HIS  30           H        HIS  30   6.015   1.875  -4.465
    2    HA   HIS  30           HA       HIS  30   6.884   3.834  -2.452
    3    HB2  HIS  30           HB2      HIS  30   4.027   3.297  -3.283
    4    HB3  HIS  30           HB3      HIS  30   4.567   4.483  -2.094
    5    HD1  HIS  30           HD1      HIS  30   4.321   6.736  -3.092
    6    HD2  HIS  30           HD2      HIS  30   5.670   3.950  -5.864
    7    HE1  HIS  30           HE1      HIS  30   4.739   8.037  -5.206
    8    HE2  HIS  30           HE2      HIS  30   5.706   6.362  -6.808

  No H/Q in entry =           8
  In of MODEL   37
    1    H    TYR  31           H        TYR  31   5.583   3.466  -0.339
    2    HA   TYR  31           HA       TYR  31   5.284   0.581   0.155
    3    HB2  TYR  31           HB2      TYR  31   6.964   2.578   1.617
    4    HB3  TYR  31           HB3      TYR  31   6.240   1.249   2.516
    5    HD1  TYR  31           HD1      TYR  31   8.526   2.063  -0.280
    6    HD2  TYR  31           HD2      TYR  31   7.151  -0.932   2.409
    7    HE1  TYR  31           HE1      TYR  31  10.372   0.597  -0.980
    8    HE2  TYR  31           HE2      TYR  31   8.993  -2.407   1.718
    9    HH   TYR  31           HH       TYR  31  11.660  -1.353   0.036

  No H/Q in entry =           9
  In of MODEL   37
    1    H    CYS  32           H        CYS  32   3.998   0.055   2.062
    2    HA   CYS  32           HA       CYS  32   1.745   1.871   2.299
    3    HB2  CYS  32           HB2      CYS  32   1.893  -0.847   2.130
    4    HB3  CYS  32           HB3      CYS  32   1.726  -0.628   3.868

  No H/Q in entry =           4
  In of MODEL   37
    1    H    THR  33           H        THR  33   0.874   2.531   4.324
    2    HA   THR  33           HA       THR  33   2.910   2.727   6.442
    3    HB   THR  33           HB       THR  33   2.476   4.913   5.672
    4    HG1  THR  33           HG1      THR  33   0.677   4.599   7.835
    5   HG23  THR  33          HG21      THR  33   0.672   5.234   4.415
    6   HG22  THR  33          HG22      THR  33  -0.165   5.548   5.936
    7   HG21  THR  33          HG23      THR  33  -0.228   3.942   5.210

  No H/Q in entry =           7
  In of MODEL   37
    1    H    GLY  34           H        GLY  34   0.830   0.611   5.936
    2    HA3  GLY  34           HA2      GLY  34  -0.724  -0.612   7.114
    3    HA2  GLY  34           HA3      GLY  34   0.192  -0.083   8.516

  No H/Q in entry =           3
  In of MODEL   37
    1    H    ARG  35           H        ARG  35  -1.491   2.178   6.455
    2    HA   ARG  35           HA       ARG  35  -3.355   2.707   8.668
    3    HB2  ARG  35           HB2      ARG  35  -1.634   4.458   7.589
    4    HB3  ARG  35           HB3      ARG  35  -2.995   4.704   6.504
    5    HG2  ARG  35           HG2      ARG  35  -3.354   4.784   9.475
    6    HG3  ARG  35           HG3      ARG  35  -2.796   6.197   8.578
    7    HD2  ARG  35           HD2      ARG  35  -5.200   4.778   7.569
    8    HD3  ARG  35           HD3      ARG  35  -5.372   5.732   9.041
    9    HE   ARG  35           HE       ARG  35  -4.070   7.138   6.899
   10   HH11  ARG  35          HH11      ARG  35  -7.149   6.287   8.306
   11   HH12  ARG  35          HH12      ARG  35  -7.980   7.638   7.613
   12   HH21  ARG  35          HH21      ARG  35  -5.163   8.917   5.987
   13   HH22  ARG  35          HH22      ARG  35  -6.854   9.131   6.296

  No H/Q in entry =          13
  In of MODEL   37
    1    H    SER  36           H        SER  36  -3.292   3.169   5.147
    2    HA   SER  36           HA       SER  36  -5.999   2.018   5.025
    3    HB2  SER  36           HB2      SER  36  -6.410   3.688   3.128
    4    HB3  SER  36           HB3      SER  36  -6.389   4.341   4.766
    5    HG   SER  36           HG       SER  36  -4.483   4.592   2.721

  No H/Q in entry =           5
  In of MODEL   37
    1    H    CYS  37           H        CYS  37  -6.581   1.510   2.646
    2    HA   CYS  37           HA       CYS  37  -4.428  -0.133   1.609
    3    HB2  CYS  37           HB2      CYS  37  -7.361   0.095   0.987
    4    HB3  CYS  37           HB3      CYS  37  -6.277  -0.853  -0.023

  No H/Q in entry =           4
  In of MODEL   37
    1    H    GLU  38           H        GLU  38  -5.132   3.003   1.228
    2    HA   GLU  38           HA       GLU  38  -4.818   3.109  -1.668
    3    HB2  GLU  38           HB2      GLU  38  -5.003   5.454   0.216
    4    HB3  GLU  38           HB3      GLU  38  -5.329   5.427  -1.511
    5    HG2  GLU  38           HG2      GLU  38  -7.179   3.709  -0.828
    6    HG3  GLU  38           HG3      GLU  38  -7.009   4.473   0.752

  No H/Q in entry =           6
  In of MODEL   37
    1    H    CYS  39           H        CYS  39  -2.713   2.447  -2.011
    2    HA   CYS  39           HA       CYS  39  -0.432   3.090  -0.635
    3    HB2  CYS  39           HB2      CYS  39  -0.573   1.507  -2.553
    4    HB3  CYS  39           HB3      CYS  39  -0.653   2.884  -3.646

  No H/Q in entry =           4
  In of MODEL   37
    1    HA   PRO  40           HA       PRO  40  -0.184   7.535  -0.912
    2    HB2  PRO  40           HB2      PRO  40   2.549   7.675  -0.422
    3    HB3  PRO  40           HB3      PRO  40   1.288   7.640   0.814
    4    HG2  PRO  40           HG2      PRO  40   2.985   5.416  -0.229
    5    HG3  PRO  40           HG3      PRO  40   2.443   5.735   1.430
    6    HD2  PRO  40           HD2      PRO  40   1.289   3.844  -0.070
    7    HD3  PRO  40           HD3      PRO  40   0.332   4.847   1.042

  No H/Q in entry =           7
  In of MODEL   37
    1    H    SER  41           H        SER  41   0.823   9.161  -2.214
    2    HA   SER  41           HA       SER  41   1.729   8.108  -4.789
    3    HB2  SER  41           HB2      SER  41   0.938  10.077  -5.775
    4    HB3  SER  41           HB3      SER  41  -0.224   9.796  -4.479
    5    HG   SER  41           HG       SER  41   0.337  11.650  -3.697

  No H/Q in entry =           5
  In of MODEL   37
    1    H    TYR  42           H        TYR  42   3.448   8.365  -2.362
    2    HA   TYR  42           HA       TYR  42   5.609   9.857  -3.653
    3    HB2  TYR  42           HB2      TYR  42   6.262  10.938  -1.587
    4    HB3  TYR  42           HB3      TYR  42   4.584  11.338  -1.937
    5    HD1  TYR  42           HD1      TYR  42   6.864   9.832   0.414
    6    HD2  TYR  42           HD2      TYR  42   2.761  10.167  -0.661
    7    HE1  TYR  42           HE1      TYR  42   6.220   9.038   2.649
    8    HE2  TYR  42           HE2      TYR  42   2.105   9.375   1.571
    9    HH   TYR  42           HH       TYR  42   3.028   8.096   3.417

  No H/Q in entry =           9
  In of MODEL   37
    1    HA   PRO  43           HA       PRO  43   7.931   6.247  -2.606
    2    HB2  PRO  43           HB2      PRO  43  10.447   7.235  -2.666
    3    HB3  PRO  43           HB3      PRO  43   9.485   7.000  -4.131
    4    HG2  PRO  43           HG2      PRO  43   9.964   9.508  -2.562
    5    HG3  PRO  43           HG3      PRO  43   9.991   9.267  -4.320
    6    HD2  PRO  43           HD2      PRO  43   7.860  10.326  -3.024
    7    HD3  PRO  43           HD3      PRO  43   7.694   9.342  -4.492

  No H/Q in entry =           7
  In of MODEL   37
    1    H    GLY  44           H        GLY  44   9.144   5.272  -0.931
    2    HA3  GLY  44           HA2      GLY  44   9.097   6.814   1.577
    3    HA2  GLY  44           HA3      GLY  44   9.018   5.063   1.462

  No H/Q in entry =           3
  In of MODEL   37
    1    H    ASN  45           H        ASN  45  11.282   6.917  -0.433
    2    HA   ASN  45           HA       ASN  45  13.462   5.901   1.271
    3    HB2  ASN  45           HB2      ASN  45  14.844   5.835  -0.802
    4    HB3  ASN  45           HB3      ASN  45  13.472   4.732  -0.846
    5   HD21  ASN  45          HD21      ASN  45  14.081   4.909  -3.186
    6   HD22  ASN  45          HD22      ASN  45  13.298   6.142  -4.108

  No H/Q in entry =           6
  In of MODEL   37
    1    H    GLY  46           H        GLY  46  12.088   8.458   1.504
    2    HA3  GLY  46           HA2      GLY  46  13.731  10.264   2.322
    3    HA2  GLY  46           HA3      GLY  46  14.183  10.331   0.626

  No H/Q in entry =           3
  In of MODEL   38
    1    H1   ALA   1           H2       ALA   1 -15.916  -7.954  10.018
    2    H2   ALA   1           H1       ALA   1 -14.431  -7.186  10.407
    3    H3   ALA   1           H3       ALA   1 -15.713  -6.275   9.726
    4    HA   ALA   1           HA       ALA   1 -14.202  -6.633   8.036
    5    HB3  ALA   1           HB1      ALA   1 -14.219  -9.503   8.948
    6    HB2  ALA   1           HB2      ALA   1 -12.868  -8.370   8.981
    7    HB1  ALA   1           HB3      ALA   1 -13.491  -8.955   7.438

  No H/Q in entry =           7
  In of MODEL   38
    1    H    MET   2           H        MET   2 -16.083  -5.868   7.009
    2    HA   MET   2           HA       MET   2 -17.920  -7.927   5.998
    3    HB2  MET   2           HB2      MET   2 -18.255  -4.923   6.058
    4    HB3  MET   2           HB3      MET   2 -19.456  -6.080   5.502
    5    HG2  MET   2           HG2      MET   2 -19.401  -7.072   7.815
    6    HG3  MET   2           HG3      MET   2 -18.438  -5.677   8.297
    7    HE2  MET   2           HE1      MET   2 -21.037  -4.744  10.178
    8    HE1  MET   2           HE2      MET   2 -20.523  -6.393   9.821
    9    HE3  MET   2           HE3      MET   2 -22.188  -5.900   9.508

  No H/Q in entry =           9
  In of MODEL   38
    1    H    ASP   3           H        ASP   3 -16.413  -4.898   4.860
    2    HA   ASP   3           HA       ASP   3 -16.376  -6.030   2.148
    3    HB2  ASP   3           HB2      ASP   3 -16.478  -3.228   3.207
    4    HB3  ASP   3           HB3      ASP   3 -15.820  -3.526   1.601

  No H/Q in entry =           4
  In of MODEL   38
    1    H    CYS   4           H        CYS   4 -14.500  -6.129   0.959
    2    HA   CYS   4           HA       CYS   4 -12.050  -6.183   2.485
    3    HB2  CYS   4           HB2      CYS   4 -12.804  -6.942  -0.322
    4    HB3  CYS   4           HB3      CYS   4 -11.112  -6.833   0.153

  No H/Q in entry =           4
  In of MODEL   38
    1    H    THR   5           H        THR   5 -10.612  -4.605   2.627
    2    HA   THR   5           HA       THR   5 -10.989  -2.056   1.542
    3    HB   THR   5           HB       THR   5  -8.258  -3.023   2.290
    4    HG1  THR   5           HG1      THR   5 -10.372  -2.569   4.123
    5   HG22  THR   5          HG21      THR   5  -9.411  -0.662   3.574
    6   HG21  THR   5          HG22      THR   5  -9.216  -0.533   1.826
    7   HG23  THR   5          HG23      THR   5  -7.824  -0.903   2.843

  No H/Q in entry =           7
  In of MODEL   38
    1    H    THR   6           H        THR   6 -11.250  -2.070  -0.671
    2    HA   THR   6           HA       THR   6  -9.270  -3.307  -2.379
    3    HB   THR   6           HB       THR   6 -10.759  -1.974  -4.134
    4    HG1  THR   6           HG1      THR   6 -12.510  -1.165  -3.333
    5   HG23  THR   6          HG21      THR   6 -11.395  -4.027  -4.623
    6   HG22  THR   6          HG22      THR   6 -12.522  -4.004  -3.266
    7   HG21  THR   6          HG23      THR   6 -10.871  -4.580  -3.032

  No H/Q in entry =           7
  In of MODEL   38
    1    H    GLY   7           H        GLY   7  -7.518  -2.355  -3.176
    2    HA3  GLY   7           HA2      GLY   7  -7.243   0.169  -4.204
    3    HA2  GLY   7           HA3      GLY   7  -6.898   0.361  -2.493

  No H/Q in entry =           3
  In of MODEL   38
    1    HA   PRO   8           HA       PRO   8  -3.054  -1.076  -4.759
    2    HB2  PRO   8           HB2      PRO   8  -1.560   1.146  -4.592
    3    HB3  PRO   8           HB3      PRO   8  -2.757   0.925  -5.874
    4    HG2  PRO   8           HG2      PRO   8  -2.967   2.501  -3.339
    5    HG3  PRO   8           HG3      PRO   8  -3.498   2.936  -4.973
    6    HD2  PRO   8           HD2      PRO   8  -5.172   1.966  -3.032
    7    HD3  PRO   8           HD3      PRO   8  -5.463   1.777  -4.772

  No H/Q in entry =           7
  In of MODEL   38
    1    H    CYS   9           H        CYS   9  -3.759   0.335  -1.680
    2    HA   CYS   9           HA       CYS   9  -1.149  -0.474  -0.622
    3    HB2  CYS   9           HB2      CYS   9  -2.435   1.811  -0.160
    4    HB3  CYS   9           HB3      CYS   9  -3.174   0.849   1.112

  No H/Q in entry =           4
  In of MODEL   38
    1    H    CYS  10           H        CYS  10  -3.473  -2.297  -1.330
    2    HA   CYS  10           HA       CYS  10  -3.511  -3.712   1.246
    3    HB2  CYS  10           HB2      CYS  10  -5.867  -3.488  -0.634
    4    HB3  CYS  10           HB3      CYS  10  -5.825  -4.393   0.876

  No H/Q in entry =           4
  In of MODEL   38
    1    H    ARG  11           H        ARG  11  -3.079  -5.841   1.149
    2    HA   ARG  11           HA       ARG  11  -1.862  -6.969  -1.073
    3    HB2  ARG  11           HB2      ARG  11  -1.535  -7.832   1.184
    4    HB3  ARG  11           HB3      ARG  11  -3.210  -8.360   1.249
    5    HG2  ARG  11           HG2      ARG  11  -2.647  -9.816  -0.771
    6    HG3  ARG  11           HG3      ARG  11  -0.959  -9.478  -0.383
    7    HD2  ARG  11           HD2      ARG  11  -1.199 -11.356   0.862
    8    HD3  ARG  11           HD3      ARG  11  -1.810 -10.199   2.043
    9    HE   ARG  11           HE       ARG  11  -4.022 -10.932   0.647
   10   HH11  ARG  11          HH11      ARG  11  -1.545 -12.695   2.359
   11   HH12  ARG  11          HH12      ARG  11  -2.597 -14.000   2.792
   12   HH21  ARG  11          HH21      ARG  11  -5.408 -12.648   1.215
   13   HH22  ARG  11          HH22      ARG  11  -4.790 -13.974   2.142

  No H/Q in entry =          13
  In of MODEL   38
    1    H    GLN  12           H        GLN  12  -4.890  -8.297   0.245
    2    HA   GLN  12           HA       GLN  12  -6.064  -8.278  -2.424
    3    HB2  GLN  12           HB2      GLN  12  -4.730 -10.472  -1.828
    4    HB3  GLN  12           HB3      GLN  12  -6.188 -10.853  -0.923
    5    HG2  GLN  12           HG2      GLN  12  -7.478 -11.040  -2.807
    6    HG3  GLN  12           HG3      GLN  12  -6.436  -9.982  -3.757
    7   HE21  GLN  12          HE21      GLN  12  -7.218 -13.174  -2.958
    8   HE22  GLN  12          HE22      GLN  12  -5.941 -13.961  -3.816

  No H/Q in entry =           8
  In of MODEL   38
    1    H    CYS  13           H        CYS  13  -6.463  -7.484   0.676
    2    HA   CYS  13           HA       CYS  13  -9.198  -7.053   0.533
    3    HB2  CYS  13           HB2      CYS  13  -9.467  -9.474   0.636
    4    HB3  CYS  13           HB3      CYS  13  -8.493  -9.543   2.099

  No H/Q in entry =           4
  In of MODEL   38
    1    H    LYS  14           H        LYS  14  -6.385  -7.601   2.562
    2    HA   LYS  14           HA       LYS  14  -7.521  -5.748   4.548
    3    HB2  LYS  14           HB2      LYS  14  -5.568  -8.014   4.794
    4    HB3  LYS  14           HB3      LYS  14  -5.606  -6.732   5.997
    5    HG2  LYS  14           HG2      LYS  14  -7.714  -7.317   6.746
    6    HG3  LYS  14           HG3      LYS  14  -8.118  -8.169   5.254
    7    HD2  LYS  14           HD2      LYS  14  -7.733  -9.752   7.060
    8    HD3  LYS  14           HD3      LYS  14  -6.483  -9.912   5.824
    9    HE2  LYS  14           HE2      LYS  14  -4.853  -8.969   7.162
   10    HE3  LYS  14           HE3      LYS  14  -6.025  -8.119   8.168
   11    HZ2  LYS  14           HZ1      LYS  14  -5.161 -10.923   8.291
   12    HZ1  LYS  14           HZ2      LYS  14  -6.720 -10.526   8.811
   13    HZ3  LYS  14           HZ3      LYS  14  -5.376  -9.809   9.546

  No H/Q in entry =          13
  In of MODEL   38
    1    H    LEU  15           H        LEU  15  -6.142  -4.161   5.477
    2    HA   LEU  15           HA       LEU  15  -4.599  -2.734   3.630
    3    HB2  LEU  15           HB2      LEU  15  -5.641  -2.271   6.150
    4    HB3  LEU  15           HB3      LEU  15  -3.910  -2.208   6.419
    5    HG   LEU  15           HG       LEU  15  -4.642   0.014   6.002
    6   HD13  LEU  15          HD11      LEU  15  -2.998   0.561   4.581
    7   HD12  LEU  15          HD12      LEU  15  -3.644  -0.448   3.287
    8   HD11  LEU  15          HD13      LEU  15  -2.665  -1.171   4.563
    9   HD22  LEU  15          HD21      LEU  15  -6.300   0.599   4.623
   10   HD21  LEU  15          HD22      LEU  15  -6.646  -1.127   4.521
   11   HD23  LEU  15          HD23      LEU  15  -5.649  -0.353   3.289

  No H/Q in entry =          11
  In of MODEL   38
    1    H    LYS  16           H        LYS  16  -2.616  -3.102   2.892
    2    HA   LYS  16           HA       LYS  16  -0.977  -5.187   3.713
    3    HB2  LYS  16           HB2      LYS  16  -0.828  -3.000   1.835
    4    HB3  LYS  16           HB3      LYS  16   0.732  -3.239   2.611
    5    HG2  LYS  16           HG2      LYS  16   0.772  -5.547   1.919
    6    HG3  LYS  16           HG3      LYS  16  -0.854  -5.405   1.247
    7    HD2  LYS  16           HD2      LYS  16   1.123  -3.452   0.258
    8    HD3  LYS  16           HD3      LYS  16   1.402  -5.132  -0.206
    9    HE2  LYS  16           HE2      LYS  16  -1.081  -5.139  -0.875
   10    HE3  LYS  16           HE3      LYS  16  -0.960  -3.381  -0.798
   11    HZ1  LYS  16           HZ1      LYS  16   1.006  -4.905  -2.368
   12    HZ3  LYS  16           HZ2      LYS  16   0.473  -3.313  -2.575
   13    HZ2  LYS  16           HZ3      LYS  16  -0.526  -4.603  -3.021

  No H/Q in entry =          13
  In of MODEL   38
    1    HA   PRO  17           HA       PRO  17   0.973  -3.825   7.433
    2    HB2  PRO  17           HB2      PRO  17   3.450  -4.972   7.113
    3    HB3  PRO  17           HB3      PRO  17   2.012  -5.846   7.651
    4    HG2  PRO  17           HG2      PRO  17   3.234  -5.700   4.925
    5    HG3  PRO  17           HG3      PRO  17   2.545  -7.098   5.772
    6    HD2  PRO  17           HD2      PRO  17   1.182  -5.795   3.858
    7    HD3  PRO  17           HD3      PRO  17   0.367  -6.483   5.278

  No H/Q in entry =           7
  In of MODEL   38
    1    H    ALA  18           H        ALA  18   1.890  -1.951   7.987
    2    HA   ALA  18           HA       ALA  18   2.879  -0.089   6.211
    3    HB1  ALA  18           HB1      ALA  18   3.583  -0.312   9.136
    4    HB3  ALA  18           HB2      ALA  18   2.124   0.437   8.488
    5    HB2  ALA  18           HB3      ALA  18   3.704   1.138   8.138

  No H/Q in entry =           5
  In of MODEL   38
    1    H    GLY  19           H        GLY  19   5.013   0.753   5.846
    2    HA3  GLY  19           HA2      GLY  19   7.276   0.599   5.452
    3    HA2  GLY  19           HA3      GLY  19   7.347  -0.647   6.690

  No H/Q in entry =           3
  In of MODEL   38
    1    H    THR  20           H        THR  20   5.123  -1.113   4.102
    2    HA   THR  20           HA       THR  20   7.008  -2.942   2.772
    3    HB   THR  20           HB       THR  20   4.091  -3.464   3.379
    4    HG1  THR  20           HG1      THR  20   4.807  -4.456   5.064
    5   HG22  THR  20          HG21      THR  20   5.734  -5.695   2.473
    6   HG21  THR  20          HG22      THR  20   5.435  -4.470   1.240
    7   HG23  THR  20          HG23      THR  20   4.079  -5.251   2.054

  No H/Q in entry =           7
  In of MODEL   38
    1    H    THR  21           H        THR  21   7.110  -2.755   0.610
    2    HA   THR  21           HA       THR  21   6.005  -0.611  -0.754
    3    HB   THR  21           HB       THR  21   6.418  -2.552  -2.715
    4    HG1  THR  21           HG1      THR  21   7.363  -4.063  -1.544
    5   HG22  THR  21          HG21      THR  21   8.893  -1.303  -2.059
    6   HG21  THR  21          HG22      THR  21   7.580  -0.136  -1.897
    7   HG23  THR  21          HG23      THR  21   7.813  -0.998  -3.419

  No H/Q in entry =           7
  In of MODEL   38
    1    H    CYS  22           H        CYS  22   4.221  -0.288  -2.012
    2    HA   CYS  22           HA       CYS  22   2.324  -2.495  -2.322
    3    HB2  CYS  22           HB2      CYS  22   0.472  -1.128  -1.507
    4    HB3  CYS  22           HB3      CYS  22   1.697  -1.324  -0.260

  No H/Q in entry =           4
  In of MODEL   38
    1    H    TRP  23           H        TRP  23   4.090  -0.925  -4.142
    2    HA   TRP  23           HA       TRP  23   2.102  -0.456  -6.161
    3    HB2  TRP  23           HB2      TRP  23   2.543   1.730  -4.697
    4    HB3  TRP  23           HB3      TRP  23   3.893   1.888  -5.817
    5    HD1  TRP  23           HD1      TRP  23   1.496   0.303  -7.896
    6    HE1  TRP  23           HE1      TRP  23   0.070   1.972  -9.239
    7    HE3  TRP  23           HE3      TRP  23   2.509   4.544  -5.244
    8    HZ2  TRP  23           HZ2      TRP  23  -0.543   4.722  -9.178
    9    HZ3  TRP  23           HZ3      TRP  23   1.468   6.657  -5.953
   10    HH2  TRP  23           HH2      TRP  23  -0.026   6.743  -7.882

  No H/Q in entry =          10
  In of MODEL   38
    1    H    LYS  24           H        LYS  24   5.457   0.575  -5.594
    2    HA   LYS  24           HA       LYS  24   7.308   0.429  -6.932
    3    HB2  LYS  24           HB2      LYS  24   7.937  -1.850  -7.545
    4    HB3  LYS  24           HB3      LYS  24   7.270  -1.804  -5.919
    5    HG2  LYS  24           HG2      LYS  24   5.265  -2.819  -6.596
    6    HG3  LYS  24           HG3      LYS  24   5.601  -2.529  -8.304
    7    HD2  LYS  24           HD2      LYS  24   6.210  -4.716  -8.214
    8    HD3  LYS  24           HD3      LYS  24   7.744  -4.003  -7.710
    9    HE2  LYS  24           HE2      LYS  24   7.504  -5.510  -6.028
   10    HE3  LYS  24           HE3      LYS  24   6.585  -4.182  -5.322
   11    HZ3  LYS  24           HZ1      LYS  24   5.231  -6.048  -5.082
   12    HZ2  LYS  24           HZ2      LYS  24   5.562  -6.623  -6.637
   13    HZ1  LYS  24           HZ3      LYS  24   4.587  -5.257  -6.432

  No H/Q in entry =          13
  In of MODEL   38
    1    H    THR  25           H        THR  25   5.366   1.691  -8.266
    2    HA   THR  25           HA       THR  25   4.629   0.577 -10.754
    3    HB   THR  25           HB       THR  25   4.820   3.456  -9.847
    4    HG1  THR  25           HG1      THR  25   2.562   3.178  -9.568
    5   HG22  THR  25          HG21      THR  25   2.839   2.824 -11.878
    6   HG21  THR  25          HG22      THR  25   4.503   2.685 -12.446
    7   HG23  THR  25          HG23      THR  25   3.935   4.199 -11.741

  No H/Q in entry =           7
  In of MODEL   38
    1    H    SER  26           H        SER  26   6.981  -0.243 -11.048
    2    HA   SER  26           HA       SER  26   8.759  -0.298 -12.463
    3    HB2  SER  26           HB2      SER  26   8.032   2.435 -13.499
    4    HB3  SER  26           HB3      SER  26   8.860   1.125 -14.340
    5    HG   SER  26           HG       SER  26   6.954   0.621 -15.048

  No H/Q in entry =           5
  In of MODEL   38
    1    H    VAL  27           H        VAL  27   8.253   3.033 -11.393
    2    HA   VAL  27           HA       VAL  27  10.940   3.001 -10.209
    3    HB   VAL  27           HB       VAL  27  10.772   4.314 -12.368
    4   HG12  VAL  27          HG11      VAL  27   9.179   6.203 -10.636
    5   HG11  VAL  27          HG12      VAL  27   8.553   5.275 -11.999
    6   HG13  VAL  27          HG13      VAL  27   9.761   6.532 -12.268
    7   HG22  VAL  27          HG21      VAL  27  12.249   5.998 -11.611
    8   HG21  VAL  27          HG22      VAL  27  12.488   4.623 -10.532
    9   HG23  VAL  27          HG23      VAL  27  11.532   6.006 -10.000

  No H/Q in entry =           9
  In of MODEL   38
    1    H    SER  28           H        SER  28   7.718   4.413 -10.222
    2    HA   SER  28           HA       SER  28   8.049   5.781  -7.730
    3    HB2  SER  28           HB2      SER  28   5.280   5.304  -8.403
    4    HB3  SER  28           HB3      SER  28   6.173   6.824  -8.382
    5    HG   SER  28           HG       SER  28   5.245   5.681 -10.478

  No H/Q in entry =           5
  In of MODEL   38
    1    H    SER  29           H        SER  29   8.737   4.169  -6.285
    2    HA   SER  29           HA       SER  29   6.818   2.033  -5.684
    3    HB2  SER  29           HB2      SER  29   9.550   1.935  -5.903
    4    HB3  SER  29           HB3      SER  29   9.338   2.095  -4.160
    5    HG   SER  29           HG       SER  29   9.272  -0.070  -4.657

  No H/Q in entry =           5
  In of MODEL   38
    1    H    HIS  30           H        HIS  30   5.322   2.598  -4.253
    2    HA   HIS  30           HA       HIS  30   6.093   4.365  -2.031
    3    HB2  HIS  30           HB2      HIS  30   3.304   3.833  -3.068
    4    HB3  HIS  30           HB3      HIS  30   3.794   5.076  -1.917
    5    HD1  HIS  30           HD1      HIS  30   3.454   7.230  -3.124
    6    HD2  HIS  30           HD2      HIS  30   5.301   4.377  -5.509
    7    HE1  HIS  30           HE1      HIS  30   4.026   8.410  -5.274
    8    HE2  HIS  30           HE2      HIS  30   5.244   6.695  -6.647

  No H/Q in entry =           8
  In of MODEL   38
    1    H    TYR  31           H        TYR  31   6.153   3.552  -0.057
    2    HA   TYR  31           HA       TYR  31   5.344   0.828   0.426
    3    HB2  TYR  31           HB2      TYR  31   6.761   2.941   2.015
    4    HB3  TYR  31           HB3      TYR  31   6.132   1.512   2.827
    5    HD1  TYR  31           HD1      TYR  31   8.126   0.447   3.473
    6    HD2  TYR  31           HD2      TYR  31   7.614   1.656  -0.574
    7    HE1  TYR  31           HE1      TYR  31  10.150  -0.801   2.851
    8    HE2  TYR  31           HE2      TYR  31   9.638   0.411  -1.208
    9    HH   TYR  31           HH       TYR  31  10.902  -1.759  -0.052

  No H/Q in entry =           9
  In of MODEL   38
    1    H    CYS  32           H        CYS  32   3.856   0.141   2.029
    2    HA   CYS  32           HA       CYS  32   1.522   1.809   2.206
    3    HB2  CYS  32           HB2      CYS  32   2.188  -1.004   2.723
    4    HB3  CYS  32           HB3      CYS  32   1.019  -0.336   3.854

  No H/Q in entry =           4
  In of MODEL   38
    1    H    THR  33           H        THR  33   0.484   2.457   4.149
    2    HA   THR  33           HA       THR  33   2.384   2.964   6.332
    3    HB   THR  33           HB       THR  33   1.057   4.869   6.922
    4    HG1  THR  33           HG1      THR  33  -0.790   4.073   4.926
    5   HG21  THR  33          HG21      THR  33   2.029   4.596   4.227
    6   HG23  THR  33          HG22      THR  33   2.085   5.984   5.314
    7   HG22  THR  33          HG23      THR  33   0.663   5.708   4.308

  No H/Q in entry =           7
  In of MODEL   38
    1    H    GLY  34           H        GLY  34   0.414   0.616   5.677
    2    HA3  GLY  34           HA2      GLY  34  -1.025  -0.765   6.830
    3    HA2  GLY  34           HA3      GLY  34   0.020  -0.377   8.188

  No H/Q in entry =           3
  In of MODEL   38
    1    H    ARG  35           H        ARG  35  -2.486   1.388   6.348
    2    HA   ARG  35           HA       ARG  35  -4.189   1.534   8.655
    3    HB2  ARG  35           HB2      ARG  35  -2.356   3.332   8.926
    4    HB3  ARG  35           HB3      ARG  35  -3.198   4.178   7.635
    5    HG2  ARG  35           HG2      ARG  35  -5.272   3.683   9.250
    6    HG3  ARG  35           HG3      ARG  35  -3.977   3.750  10.447
    7    HD2  ARG  35           HD2      ARG  35  -4.814   5.877   8.492
    8    HD3  ARG  35           HD3      ARG  35  -4.835   5.950  10.253
    9    HE   ARG  35           HE       ARG  35  -2.595   6.440   8.523
   10   HH11  ARG  35          HH11      ARG  35  -3.567   5.482  11.735
   11   HH12  ARG  35          HH12      ARG  35  -2.080   5.980  12.469
   12   HH21  ARG  35          HH21      ARG  35  -0.639   7.096   9.487
   13   HH22  ARG  35          HH22      ARG  35  -0.418   6.897  11.193

  No H/Q in entry =          13
  In of MODEL   38
    1    H    SER  36           H        SER  36  -3.462   2.800   5.431
    2    HA   SER  36           HA       SER  36  -6.333   2.603   4.819
    3    HB2  SER  36           HB2      SER  36  -5.270   5.010   5.158
    4    HB3  SER  36           HB3      SER  36  -4.737   4.750   3.497
    5    HG   SER  36           HG       SER  36  -6.865   4.511   2.873

  No H/Q in entry =           5
  In of MODEL   38
    1    H    CYS  37           H        CYS  37  -6.858   2.197   2.619
    2    HA   CYS  37           HA       CYS  37  -5.039   0.422   1.329
    3    HB2  CYS  37           HB2      CYS  37  -7.744   0.687   1.335
    4    HB3  CYS  37           HB3      CYS  37  -7.348   1.411  -0.218

  No H/Q in entry =           4
  In of MODEL   38
    1    H    GLU  38           H        GLU  38  -5.415   3.778   1.264
    2    HA   GLU  38           HA       GLU  38  -4.502   4.114  -1.472
    3    HB2  GLU  38           HB2      GLU  38  -6.139   5.687  -0.530
    4    HB3  GLU  38           HB3      GLU  38  -4.979   6.158   0.705
    5    HG2  GLU  38           HG2      GLU  38  -3.491   6.692  -1.413
    6    HG3  GLU  38           HG3      GLU  38  -5.072   6.843  -2.178

  No H/Q in entry =           6
  In of MODEL   38
    1    H    CYS  39           H        CYS  39  -2.425   3.680  -1.857
    2    HA   CYS  39           HA       CYS  39  -0.368   3.760   0.069
    3    HB2  CYS  39           HB2      CYS  39  -0.272   3.743  -2.952
    4    HB3  CYS  39           HB3      CYS  39   1.158   3.609  -1.935

  No H/Q in entry =           4
  In of MODEL   38
    1    HA   PRO  40           HA       PRO  40   0.807   7.987   0.462
    2    HB2  PRO  40           HB2      PRO  40   3.591   7.034  -0.022
    3    HB3  PRO  40           HB3      PRO  40   2.951   8.016   1.302
    4    HG2  PRO  40           HG2      PRO  40   3.528   5.446   1.679
    5    HG3  PRO  40           HG3      PRO  40   2.097   6.177   2.430
    6    HD2  PRO  40           HD2      PRO  40   2.283   4.361   0.069
    7    HD3  PRO  40           HD3      PRO  40   1.032   4.457   1.325

  No H/Q in entry =           7
  In of MODEL   38
    1    H    SER  41           H        SER  41   2.313   9.643  -0.661
    2    HA   SER  41           HA       SER  41   2.224   9.155  -3.567
    3    HB2  SER  41           HB2      SER  41   0.624  10.904  -2.489
    4    HB3  SER  41           HB3      SER  41   2.069  11.908  -2.372
    5    HG   SER  41           HG       SER  41   2.319  11.648  -4.642

  No H/Q in entry =           5
  In of MODEL   38
    1    H    TYR  42           H        TYR  42   4.455   8.509  -1.933
    2    HA   TYR  42           HA       TYR  42   6.469  10.093  -3.282
    3    HB2  TYR  42           HB2      TYR  42   7.705  10.678  -1.276
    4    HB3  TYR  42           HB3      TYR  42   6.074  11.333  -1.172
    5    HD1  TYR  42           HD1      TYR  42   4.407  10.249   0.327
    6    HD2  TYR  42           HD2      TYR  42   8.498   9.085   0.302
    7    HE1  TYR  42           HE1      TYR  42   4.100   9.145   2.503
    8    HE2  TYR  42           HE2      TYR  42   8.203   7.976   2.476
    9    HH   TYR  42           HH       TYR  42   6.264   6.964   3.779

  No H/Q in entry =           9
  In of MODEL   38
    1    HA   PRO  43           HA       PRO  43   8.442   6.146  -3.410
    2    HB2  PRO  43           HB2      PRO  43  11.015   6.880  -3.828
    3    HB3  PRO  43           HB3      PRO  43   9.770   7.020  -5.074
    4    HG2  PRO  43           HG2      PRO  43  10.871   9.127  -3.254
    5    HG3  PRO  43           HG3      PRO  43  10.514   9.223  -4.989
    6    HD2  PRO  43           HD2      PRO  43   8.847  10.214  -3.095
    7    HD3  PRO  43           HD3      PRO  43   8.262   9.552  -4.634

  No H/Q in entry =           7
  In of MODEL   38
    1    H    GLY  44           H        GLY  44  10.851   5.319  -2.589
    2    HA3  GLY  44           HA2      GLY  44  10.542   5.177   0.252
    3    HA2  GLY  44           HA3      GLY  44  11.821   4.430  -0.695

  No H/Q in entry =           3
  In of MODEL   38
    1    H    ASN  45           H        ASN  45  13.615   5.817  -1.376
    2    HA   ASN  45           HA       ASN  45  14.298   7.682   0.760
    3    HB2  ASN  45           HB2      ASN  45  16.000   6.517  -1.455
    4    HB3  ASN  45           HB3      ASN  45  16.591   7.536  -0.146
    5   HD21  ASN  45          HD21      ASN  45  17.670   6.368   1.255
    6   HD22  ASN  45          HD22      ASN  45  17.229   4.802   1.835

  No H/Q in entry =           6
  In of MODEL   38
    1    H    GLY  46           H        GLY  46  13.528   9.680   0.400
    2    HA3  GLY  46           HA2      GLY  46  14.428  11.047  -2.022
    3    HA2  GLY  46           HA3      GLY  46  12.698  11.019  -1.716

  No H/Q in entry =           3
  In of MODEL   39
    1    H1   ALA   1           H2       ALA   1  -8.664  -1.896   9.313
    2    H2   ALA   1           H1       ALA   1  -8.454  -3.579   9.572
    3    H3   ALA   1           H3       ALA   1  -7.461  -2.756   8.443
    4    HA   ALA   1           HA       ALA   1  -9.101  -2.538   6.924
    5    HB2  ALA   1           HB1      ALA   1 -10.173  -5.076   7.973
    6    HB3  ALA   1           HB2      ALA   1  -8.424  -5.002   7.757
    7    HB1  ALA   1           HB3      ALA   1  -9.496  -4.694   6.390

  No H/Q in entry =           7
  In of MODEL   39
    1    H    MET   2           H        MET   2 -10.779  -1.199   6.862
    2    HA   MET   2           HA       MET   2 -12.975  -1.592   8.780
    3    HB2  MET   2           HB2      MET   2 -11.825   0.805   7.439
    4    HB3  MET   2           HB3      MET   2 -13.552   0.808   7.772
    5    HG2  MET   2           HG2      MET   2 -12.609  -0.003  10.159
    6    HG3  MET   2           HG3      MET   2 -11.265   0.997   9.610
    7    HE2  MET   2           HE1      MET   2 -13.435   2.952   7.710
    8    HE1  MET   2           HE2      MET   2 -11.862   3.387   8.379
    9    HE3  MET   2           HE3      MET   2 -13.287   4.342   8.786

  No H/Q in entry =           9
  In of MODEL   39
    1    H    ASP   3           H        ASP   3 -12.167  -1.324   5.385
    2    HA   ASP   3           HA       ASP   3 -14.660  -2.591   4.668
    3    HB2  ASP   3           HB2      ASP   3 -15.138  -0.098   4.754
    4    HB3  ASP   3           HB3      ASP   3 -14.024   0.075   3.401

  No H/Q in entry =           4
  In of MODEL   39
    1    H    CYS   4           H        CYS   4 -11.851  -3.242   4.527
    2    HA   CYS   4           HA       CYS   4 -10.388  -4.250   3.115
    3    HB2  CYS   4           HB2      CYS   4 -12.870  -4.219   1.429
    4    HB3  CYS   4           HB3      CYS   4 -11.348  -4.797   0.759

  No H/Q in entry =           4
  In of MODEL   39
    1    H    THR   5           H        THR   5 -12.108  -2.359   0.667
    2    HA   THR   5           HA       THR   5 -11.482  -0.561  -0.597
    3    HB   THR   5           HB       THR   5  -8.982  -0.291   1.059
    4    HG1  THR   5           HG1      THR   5 -11.548   0.746   1.671
    5   HG21  THR   5          HG21      THR   5  -9.283   1.155  -0.956
    6   HG23  THR   5          HG22      THR   5  -9.104   2.021   0.570
    7   HG22  THR   5          HG23      THR   5 -10.699   1.847  -0.163

  No H/Q in entry =           7
  In of MODEL   39
    1    H    THR   6           H        THR   6 -11.195  -2.431  -2.102
    2    HA   THR   6           HA       THR   6  -8.750  -3.635  -2.651
    3    HB   THR   6           HB       THR   6 -10.421  -3.004  -5.002
    4    HG1  THR   6           HG1      THR   6 -12.146  -3.170  -3.742
    5   HG21  THR   6          HG21      THR   6  -9.425  -5.554  -3.764
    6   HG23  THR   6          HG22      THR   6  -8.821  -4.754  -5.215
    7   HG22  THR   6          HG23      THR   6 -10.430  -5.478  -5.211

  No H/Q in entry =           7
  In of MODEL   39
    1    H    GLY   7           H        GLY   7  -6.892  -2.938  -3.488
    2    HA3  GLY   7           HA2      GLY   7  -6.718  -0.954  -5.520
    3    HA2  GLY   7           HA3      GLY   7  -6.298  -0.274  -3.955

  No H/Q in entry =           3
  In of MODEL   39
    1    HA   PRO   8           HA       PRO   8  -2.380  -1.969  -5.672
    2    HB2  PRO   8           HB2      PRO   8  -0.783  -0.028  -4.668
    3    HB3  PRO   8           HB3      PRO   8  -1.679   0.167  -6.179
    4    HG2  PRO   8           HG2      PRO   8  -2.354   1.161  -3.436
    5    HG3  PRO   8           HG3      PRO   8  -2.467   2.007  -4.990
    6    HD2  PRO   8           HD2      PRO   8  -4.617   0.892  -3.769
    7    HD3  PRO   8           HD3      PRO   8  -4.467   1.000  -5.535

  No H/Q in entry =           7
  In of MODEL   39
    1    H    CYS   9           H        CYS   9  -2.779  -0.502  -2.440
    2    HA   CYS   9           HA       CYS   9  -0.790  -2.150  -1.225
    3    HB2  CYS   9           HB2      CYS   9  -2.577  -0.003  -0.408
    4    HB3  CYS   9           HB3      CYS   9  -2.461  -1.259   0.819

  No H/Q in entry =           4
  In of MODEL   39
    1    H    CYS  10           H        CYS  10  -4.267  -2.310  -1.601
    2    HA   CYS  10           HA       CYS  10  -4.710  -4.461   0.196
    3    HB2  CYS  10           HB2      CYS  10  -6.260  -2.834  -1.605
    4    HB3  CYS  10           HB3      CYS  10  -6.703  -4.524  -1.797

  No H/Q in entry =           4
  In of MODEL   39
    1    H    ARG  11           H        ARG  11  -5.652  -6.581  -0.596
    2    HA   ARG  11           HA       ARG  11  -4.862  -7.609  -3.128
    3    HB2  ARG  11           HB2      ARG  11  -2.985  -7.830  -0.886
    4    HB3  ARG  11           HB3      ARG  11  -3.371  -9.376  -1.630
    5    HG2  ARG  11           HG2      ARG  11  -2.738  -7.191  -3.496
    6    HG3  ARG  11           HG3      ARG  11  -1.409  -7.744  -2.475
    7    HD2  ARG  11           HD2      ARG  11  -1.660  -9.993  -3.256
    8    HD3  ARG  11           HD3      ARG  11  -3.141  -9.581  -4.118
    9    HE   ARG  11           HE       ARG  11  -1.066  -7.974  -5.092
   10   HH11  ARG  11          HH11      ARG  11  -2.048 -11.322  -5.076
   11   HH12  ARG  11          HH12      ARG  11  -1.280 -11.685  -6.585
   12   HH21  ARG  11          HH21      ARG  11  -0.055  -8.449  -7.077
   13   HH22  ARG  11          HH22      ARG  11  -0.148 -10.054  -7.721

  No H/Q in entry =          13
  In of MODEL   39
    1    H    GLN  12           H        GLN  12  -5.031  -8.947   0.167
    2    HA   GLN  12           HA       GLN  12  -7.027 -10.883  -0.755
    3    HB2  GLN  12           HB2      GLN  12  -5.125 -10.733   1.534
    4    HB3  GLN  12           HB3      GLN  12  -6.574 -11.711   1.706
    5    HG2  GLN  12           HG2      GLN  12  -5.823 -12.747  -0.555
    6    HG3  GLN  12           HG3      GLN  12  -4.249 -12.080  -0.126
    7   HE21  GLN  12          HE21      GLN  12  -3.020 -13.653   0.609
    8   HE22  GLN  12          HE22      GLN  12  -3.492 -14.872   1.740

  No H/Q in entry =           8
  In of MODEL   39
    1    H    CYS  13           H        CYS  13  -7.407  -7.953  -0.042
    2    HA   CYS  13           HA       CYS  13  -9.244  -6.769   0.653
    3    HB2  CYS  13           HB2      CYS  13 -10.234  -9.354   0.833
    4    HB3  CYS  13           HB3      CYS  13 -10.447  -8.722   2.462

  No H/Q in entry =           4
  In of MODEL   39
    1    H    LYS  14           H        LYS  14  -6.682  -7.017   1.937
    2    HA   LYS  14           HA       LYS  14  -7.354  -5.760   4.451
    3    HB2  LYS  14           HB2      LYS  14  -7.049  -8.360   4.731
    4    HB3  LYS  14           HB3      LYS  14  -5.339  -7.967   4.622
    5    HG2  LYS  14           HG2      LYS  14  -6.974  -6.383   6.514
    6    HG3  LYS  14           HG3      LYS  14  -6.641  -8.065   6.931
    7    HD2  LYS  14           HD2      LYS  14  -4.409  -6.299   6.023
    8    HD3  LYS  14           HD3      LYS  14  -5.001  -6.172   7.680
    9    HE2  LYS  14           HE2      LYS  14  -4.053  -8.716   6.367
   10    HE3  LYS  14           HE3      LYS  14  -3.087  -7.719   7.454
   11    HZ1  LYS  14           HZ1      LYS  14  -5.254  -8.104   8.941
   12    HZ3  LYS  14           HZ2      LYS  14  -3.910  -9.130   8.982
   13    HZ2  LYS  14           HZ3      LYS  14  -5.262  -9.546   8.055

  No H/Q in entry =          13
  In of MODEL   39
    1    H    LEU  15           H        LEU  15  -6.249  -3.933   4.289
    2    HA   LEU  15           HA       LEU  15  -4.284  -3.207   2.608
    3    HB2  LEU  15           HB2      LEU  15  -3.446  -1.678   4.560
    4    HB3  LEU  15           HB3      LEU  15  -5.004  -1.416   3.810
    5    HG   LEU  15           HG       LEU  15  -4.824  -1.273   6.369
    6   HD13  LEU  15          HD11      LEU  15  -7.035  -1.399   6.347
    7   HD12  LEU  15          HD12      LEU  15  -7.017  -3.112   5.932
    8   HD11  LEU  15          HD13      LEU  15  -6.894  -1.895   4.661
    9   HD23  LEU  15          HD21      LEU  15  -5.215  -3.440   7.518
   10   HD22  LEU  15          HD22      LEU  15  -3.597  -3.269   6.839
   11   HD21  LEU  15          HD23      LEU  15  -4.797  -4.265   6.019

  No H/Q in entry =          11
  In of MODEL   39
    1    H    LYS  16           H        LYS  16  -2.367  -3.935   2.108
    2    HA   LYS  16           HA       LYS  16  -0.944  -5.915   3.342
    3    HB2  LYS  16           HB2      LYS  16  -0.212  -3.718   1.479
    4    HB3  LYS  16           HB3      LYS  16   1.108  -4.582   2.255
    5    HG2  LYS  16           HG2      LYS  16   0.308  -6.681   1.361
    6    HG3  LYS  16           HG3      LYS  16  -1.093  -5.872   0.655
    7    HD2  LYS  16           HD2      LYS  16   0.936  -4.397  -0.379
    8    HD3  LYS  16           HD3      LYS  16   1.697  -5.985  -0.271
    9    HE2  LYS  16           HE2      LYS  16   0.285  -6.919  -1.805
   10    HE3  LYS  16           HE3      LYS  16  -1.045  -5.835  -1.401
   11    HZ1  LYS  16           HZ1      LYS  16   0.428  -4.046  -2.461
   12    HZ3  LYS  16           HZ2      LYS  16  -0.373  -5.127  -3.485
   13    HZ2  LYS  16           HZ3      LYS  16   1.272  -5.337  -3.156

  No H/Q in entry =          13
  In of MODEL   39
    1    HA   PRO  17           HA       PRO  17   0.839  -4.432   7.084
    2    HB2  PRO  17           HB2      PRO  17   3.379  -5.507   6.889
    3    HB3  PRO  17           HB3      PRO  17   1.952  -6.386   7.445
    4    HG2  PRO  17           HG2      PRO  17   3.237  -6.368   4.747
    5    HG3  PRO  17           HG3      PRO  17   2.537  -7.725   5.648
    6    HD2  PRO  17           HD2      PRO  17   1.217  -6.558   3.628
    7    HD3  PRO  17           HD3      PRO  17   0.365  -7.150   5.070

  No H/Q in entry =           7
  In of MODEL   39
    1    H    ALA  18           H        ALA  18   1.970  -2.693   7.817
    2    HA   ALA  18           HA       ALA  18   2.843  -0.732   6.038
    3    HB1  ALA  18           HB1      ALA  18   3.576  -1.026   8.949
    4    HB3  ALA  18           HB2      ALA  18   2.111  -0.264   8.332
    5    HB2  ALA  18           HB3      ALA  18   3.687   0.449   7.989

  No H/Q in entry =           5
  In of MODEL   39
    1    H    GLY  19           H        GLY  19   5.059   0.257   6.014
    2    HA3  GLY  19           HA2      GLY  19   7.280   0.100   5.458
    3    HA2  GLY  19           HA3      GLY  19   7.380  -1.149   6.689

  No H/Q in entry =           3
  In of MODEL   39
    1    H    THR  20           H        THR  20   5.201  -1.602   4.042
    2    HA   THR  20           HA       THR  20   7.107  -3.471   2.796
    3    HB   THR  20           HB       THR  20   4.129  -3.860   3.156
    4    HG1  THR  20           HG1      THR  20   4.953  -4.408   5.055
    5   HG23  THR  20          HG21      THR  20   4.183  -5.746   1.933
    6   HG22  THR  20          HG22      THR  20   5.859  -6.104   2.351
    7   HG21  THR  20          HG23      THR  20   5.496  -4.900   1.114

  No H/Q in entry =           7
  In of MODEL   39
    1    H    THR  21           H        THR  21   7.512  -3.039   0.728
    2    HA   THR  21           HA       THR  21   6.403  -0.915  -0.677
    3    HB   THR  21           HB       THR  21   7.310  -2.950  -2.509
    4    HG1  THR  21           HG1      THR  21   8.658  -3.932  -1.242
    5   HG23  THR  21          HG21      THR  21   7.579  -0.627  -3.003
    6   HG22  THR  21          HG22      THR  21   9.173  -1.368  -2.863
    7   HG21  THR  21          HG23      THR  21   8.539  -0.383  -1.544

  No H/Q in entry =           7
  In of MODEL   39
    1    H    CYS  22           H        CYS  22   4.388  -0.664  -1.327
    2    HA   CYS  22           HA       CYS  22   2.759  -3.001  -1.962
    3    HB2  CYS  22           HB2      CYS  22   0.865  -1.450  -1.883
    4    HB3  CYS  22           HB3      CYS  22   1.832  -1.341  -0.416

  No H/Q in entry =           4
  In of MODEL   39
    1    H    TRP  23           H        TRP  23   3.897   0.003  -3.437
    2    HA   TRP  23           HA       TRP  23   2.711  -0.803  -5.982
    3    HB2  TRP  23           HB2      TRP  23   2.747   1.625  -4.788
    4    HB3  TRP  23           HB3      TRP  23   4.172   1.757  -5.812
    5    HD1  TRP  23           HD1      TRP  23   2.061  -0.379  -7.758
    6    HE1  TRP  23           HE1      TRP  23   0.647   0.934  -9.460
    7    HE3  TRP  23           HE3      TRP  23   2.601   4.314  -5.814
    8    HZ2  TRP  23           HZ2      TRP  23  -0.138   3.600  -9.914
    9    HZ3  TRP  23           HZ3      TRP  23   1.490   6.194  -6.946
   10    HH2  TRP  23           HH2      TRP  23   0.151   5.842  -8.956

  No H/Q in entry =          10
  In of MODEL   39
    1    H    LYS  24           H        LYS  24   5.797   0.541  -4.861
    2    HA   LYS  24           HA       LYS  24   7.901   0.434  -5.739
    3    HB2  LYS  24           HB2      LYS  24   8.786  -1.785  -5.940
    4    HB3  LYS  24           HB3      LYS  24   7.617  -1.778  -4.628
    5    HG2  LYS  24           HG2      LYS  24   6.007  -2.919  -5.933
    6    HG3  LYS  24           HG3      LYS  24   6.938  -2.679  -7.413
    7    HD2  LYS  24           HD2      LYS  24   7.639  -4.784  -6.999
    8    HD3  LYS  24           HD3      LYS  24   8.758  -3.977  -5.899
    9    HE2  LYS  24           HE2      LYS  24   7.677  -5.843  -4.786
   10    HE3  LYS  24           HE3      LYS  24   7.175  -4.318  -4.056
   11    HZ1  LYS  24           HZ1      LYS  24   5.556  -5.583  -6.174
   12    HZ3  LYS  24           HZ2      LYS  24   5.077  -4.467  -4.996
   13    HZ2  LYS  24           HZ3      LYS  24   5.400  -6.069  -4.561

  No H/Q in entry =          13
  In of MODEL   39
    1    H    THR  25           H        THR  25   5.795   1.135  -7.633
    2    HA   THR  25           HA       THR  25   6.146  -0.146 -10.111
    3    HB   THR  25           HB       THR  25   5.424   2.763  -9.756
    4    HG1  THR  25           HG1      THR  25   3.306   2.044  -9.435
    5   HG23  THR  25          HG21      THR  25   4.180   2.583 -11.711
    6   HG22  THR  25          HG22      THR  25   4.224   0.820 -11.688
    7   HG21  THR  25          HG23      THR  25   5.682   1.735 -12.074

  No H/Q in entry =           7
  In of MODEL   39
    1    H    SER  26           H        SER  26   7.488   0.231 -11.829
    2    HA   SER  26           HA       SER  26  10.087   1.079 -11.378
    3    HB2  SER  26           HB2      SER  26   9.074  -0.299 -13.340
    4    HB3  SER  26           HB3      SER  26   8.859   1.272 -14.113
    5    HG   SER  26           HG       SER  26  10.864   0.342 -14.663

  No H/Q in entry =           5
  In of MODEL   39
    1    H    VAL  27           H        VAL  27   7.278   2.911 -12.334
    2    HA   VAL  27           HA       VAL  27   8.852   5.287 -12.921
    3    HB   VAL  27           HB       VAL  27   6.885   4.787 -14.315
    4   HG13  VAL  27          HG11      VAL  27   5.396   3.719 -12.822
    5   HG12  VAL  27          HG12      VAL  27   4.617   5.233 -13.282
    6   HG11  VAL  27          HG13      VAL  27   5.406   5.089 -11.711
    7   HG23  VAL  27          HG21      VAL  27   6.323   7.278 -12.728
    8   HG22  VAL  27          HG22      VAL  27   6.069   6.991 -14.449
    9   HG21  VAL  27          HG23      VAL  27   7.707   7.143 -13.813

  No H/Q in entry =           9
  In of MODEL   39
    1    H    SER  28           H        SER  28   6.915   3.940 -10.360
    2    HA   SER  28           HA       SER  28   7.792   6.027  -8.566
    3    HB2  SER  28           HB2      SER  28   5.540   6.675  -9.792
    4    HB3  SER  28           HB3      SER  28   4.835   5.590  -8.593
    5    HG   SER  28           HG       SER  28   6.197   8.020  -8.221

  No H/Q in entry =           5
  In of MODEL   39
    1    H    SER  29           H        SER  29   8.640   4.757  -7.034
    2    HA   SER  29           HA       SER  29   7.191   2.349  -6.202
    3    HB2  SER  29           HB2      SER  29   9.394   2.001  -4.861
    4    HB3  SER  29           HB3      SER  29   9.421   1.772  -6.609
    5    HG   SER  29           HG       SER  29  10.163   4.159  -5.264

  No H/Q in entry =           5
  In of MODEL   39
    1    H    HIS  30           H        HIS  30   5.991   2.372  -4.433
    2    HA   HIS  30           HA       HIS  30   6.579   4.366  -2.346
    3    HB2  HIS  30           HB2      HIS  30   3.841   3.303  -3.062
    4    HB3  HIS  30           HB3      HIS  30   4.215   4.597  -1.927
    5    HD1  HIS  30           HD1      HIS  30   3.260   6.630  -2.989
    6    HD2  HIS  30           HD2      HIS  30   5.394   4.312  -5.696
    7    HE1  HIS  30           HE1      HIS  30   3.304   7.955  -5.128
    8    HE2  HIS  30           HE2      HIS  30   4.710   6.593  -6.700

  No H/Q in entry =           8
  In of MODEL   39
    1    H    TYR  31           H        TYR  31   4.898   3.559  -0.386
    2    HA   TYR  31           HA       TYR  31   5.381   0.716   0.089
    3    HB2  TYR  31           HB2      TYR  31   6.628   2.969   1.571
    4    HB3  TYR  31           HB3      TYR  31   6.030   1.622   2.534
    5    HD1  TYR  31           HD1      TYR  31   8.475   2.658   0.002
    6    HD2  TYR  31           HD2      TYR  31   7.090  -0.548   2.431
    7    HE1  TYR  31           HE1      TYR  31  10.531   1.403  -0.494
    8    HE2  TYR  31           HE2      TYR  31   9.142  -1.813   1.942
    9    HH   TYR  31           HH       TYR  31  11.845  -0.601   0.900

  No H/Q in entry =           9
  In of MODEL   39
    1    H    CYS  32           H        CYS  32   4.116  -0.150   1.864
    2    HA   CYS  32           HA       CYS  32   1.549   1.190   2.065
    3    HB2  CYS  32           HB2      CYS  32   2.201  -1.428   1.764
    4    HB3  CYS  32           HB3      CYS  32   1.966  -1.356   3.507

  No H/Q in entry =           4
  In of MODEL   39
    1    H    THR  33           H        THR  33   0.525   1.725   4.010
    2    HA   THR  33           HA       THR  33   2.380   2.185   6.239
    3    HB   THR  33           HB       THR  33   0.825   3.919   6.974
    4    HG1  THR  33           HG1      THR  33  -1.065   4.281   5.969
    5   HG22  THR  33          HG21      THR  33   1.300   4.228   4.022
    6   HG21  THR  33          HG22      THR  33   2.503   4.538   5.273
    7   HG23  THR  33          HG23      THR  33   1.035   5.512   5.201

  No H/Q in entry =           7
  In of MODEL   39
    1    H    GLY  34           H        GLY  34   0.634  -0.268   5.491
    2    HA3  GLY  34           HA2      GLY  34  -0.689  -1.813   6.572
    3    HA2  GLY  34           HA3      GLY  34   0.255  -1.344   7.976

  No H/Q in entry =           3
  In of MODEL   39
    1    H    ARG  35           H        ARG  35  -1.957   0.784   6.255
    2    HA   ARG  35           HA       ARG  35  -3.857   0.577   8.484
    3    HB2  ARG  35           HB2      ARG  35  -2.145   2.646   8.365
    4    HB3  ARG  35           HB3      ARG  35  -3.423   3.274   7.334
    5    HG2  ARG  35           HG2      ARG  35  -4.902   2.417   9.398
    6    HG3  ARG  35           HG3      ARG  35  -3.396   2.787  10.241
    7    HD2  ARG  35           HD2      ARG  35  -3.539   5.024   9.804
    8    HD3  ARG  35           HD3      ARG  35  -4.429   4.784   8.301
    9    HE   ARG  35           HE       ARG  35  -5.530   5.140  10.925
   10   HH11  ARG  35          HH11      ARG  35  -6.096   3.770   7.766
   11   HH12  ARG  35          HH12      ARG  35  -7.820   3.812   7.920
   12   HH21  ARG  35          HH21      ARG  35  -7.797   5.195  11.129
   13   HH22  ARG  35          HH22      ARG  35  -8.786   4.621   9.829

  No H/Q in entry =          13
  In of MODEL   39
    1    H    SER  36           H        SER  36  -3.291   1.851   5.232
    2    HA   SER  36           HA       SER  36  -6.097   1.230   4.591
    3    HB2  SER  36           HB2      SER  36  -5.458   3.743   4.812
    4    HB3  SER  36           HB3      SER  36  -4.649   3.506   3.263
    5    HG   SER  36           HG       SER  36  -6.846   4.223   3.075

  No H/Q in entry =           5
  In of MODEL   39
    1    H    CYS  37           H        CYS  37  -6.387   1.198   2.101
    2    HA   CYS  37           HA       CYS  37  -4.209  -0.449   1.023
    3    HB2  CYS  37           HB2      CYS  37  -7.145  -0.314   0.348
    4    HB3  CYS  37           HB3      CYS  37  -5.980  -1.229  -0.602

  No H/Q in entry =           4
  In of MODEL   39
    1    H    GLU  38           H        GLU  38  -4.595   2.595   1.007
    2    HA   GLU  38           HA       GLU  38  -4.376   2.975  -1.906
    3    HB2  GLU  38           HB2      GLU  38  -4.963   5.133   0.119
    4    HB3  GLU  38           HB3      GLU  38  -5.134   5.220  -1.629
    5    HG2  GLU  38           HG2      GLU  38  -7.068   3.946  -1.634
    6    HG3  GLU  38           HG3      GLU  38  -6.736   3.257  -0.046

  No H/Q in entry =           6
  In of MODEL   39
    1    H    CYS  39           H        CYS  39  -2.227   2.718  -2.268
    2    HA   CYS  39           HA       CYS  39  -0.142   3.467  -0.579
    3    HB2  CYS  39           HB2      CYS  39  -0.112   3.285  -3.599
    4    HB3  CYS  39           HB3      CYS  39   1.308   3.283  -2.559

  No H/Q in entry =           4
  In of MODEL   39
    1    HA   PRO  40           HA       PRO  40  -0.070   7.897  -0.664
    2    HB2  PRO  40           HB2      PRO  40   2.886   7.532  -0.659
    3    HB3  PRO  40           HB3      PRO  40   1.868   8.493   0.420
    4    HG2  PRO  40           HG2      PRO  40   2.905   6.181   1.236
    5    HG3  PRO  40           HG3      PRO  40   1.260   6.655   1.699
    6    HD2  PRO  40           HD2      PRO  40   2.159   4.670  -0.341
    7    HD3  PRO  40           HD3      PRO  40   0.756   4.618   0.745

  No H/Q in entry =           7
  In of MODEL   39
    1    H    SER  41           H        SER  41   1.236   9.678  -1.847
    2    HA   SER  41           HA       SER  41   1.577   8.829  -4.647
    3    HB2  SER  41           HB2      SER  41   0.461  11.332  -3.419
    4    HB3  SER  41           HB3      SER  41   1.130  11.370  -5.050
    5    HG   SER  41           HG       SER  41  -0.494  10.189  -5.762

  No H/Q in entry =           5
  In of MODEL   39
    1    H    TYR  42           H        TYR  42   3.694   8.641  -2.779
    2    HA   TYR  42           HA       TYR  42   5.690  10.148  -4.173
    3    HB2  TYR  42           HB2      TYR  42   6.577  11.371  -2.259
    4    HB3  TYR  42           HB3      TYR  42   4.909  11.847  -2.562
    5    HD1  TYR  42           HD1      TYR  42   7.198  10.225  -0.238
    6    HD2  TYR  42           HD2      TYR  42   3.121  11.152  -1.025
    7    HE1  TYR  42           HE1      TYR  42   6.636   9.709   2.099
    8    HE2  TYR  42           HE2      TYR  42   2.548  10.639   1.310
    9    HH   TYR  42           HH       TYR  42   4.922  10.202   3.733

  No H/Q in entry =           9
  In of MODEL   39
    1    HA   PRO  43           HA       PRO  43   8.046   6.608  -2.994
    2    HB2  PRO  43           HB2      PRO  43  10.570   7.569  -3.229
    3    HB3  PRO  43           HB3      PRO  43   9.546   7.217  -4.626
    4    HG2  PRO  43           HG2      PRO  43  10.108   9.844  -3.304
    5    HG3  PRO  43           HG3      PRO  43  10.039   9.454  -5.033
    6    HD2  PRO  43           HD2      PRO  43   7.988  10.642  -3.723
    7    HD3  PRO  43           HD3      PRO  43   7.736   9.535  -5.088

  No H/Q in entry =           7
  In of MODEL   39
    1    H    GLY  44           H        GLY  44   9.419   5.749  -1.345
    2    HA3  GLY  44           HA2      GLY  44  10.421   5.664   0.735
    3    HA2  GLY  44           HA3      GLY  44  10.421   7.421   0.761

  No H/Q in entry =           3
  In of MODEL   39
    1    H    ASN  45           H        ASN  45   9.828   5.738   2.974
    2    HA   ASN  45           HA       ASN  45   6.996   5.598   3.349
    3    HB2  ASN  45           HB2      ASN  45   8.962   4.267   4.511
    4    HB3  ASN  45           HB3      ASN  45   8.893   5.600   5.659
    5   HD21  ASN  45          HD21      ASN  45   7.248   5.712   7.092
    6   HD22  ASN  45          HD22      ASN  45   6.005   4.521   7.232

  No H/Q in entry =           6
  In of MODEL   39
    1    H    GLY  46           H        GLY  46   9.505   7.926   4.078
    2    HA3  GLY  46           HA2      GLY  46   7.410   9.798   4.951
    3    HA2  GLY  46           HA3      GLY  46   8.847   9.592   5.939

  No H/Q in entry =           3
  In of MODEL   40
    1    H1   ALA   1           H1       ALA   1 -19.429  -6.901   5.654
    2    H2   ALA   1           H3       ALA   1 -18.836  -6.877   4.046
    3    H3   ALA   1           H2       ALA   1 -20.352  -7.605   4.390
    4    HA   ALA   1           HA       ALA   1 -19.442  -9.401   5.379
    5    HB3  ALA   1           HB1      ALA   1 -17.702 -10.213   3.845
    6    HB2  ALA   1           HB2      ALA   1 -17.511  -8.577   3.214
    7    HB1  ALA   1           HB3      ALA   1 -19.035  -9.437   2.990

  No H/Q in entry =           7
  In of MODEL   40
    1    H    MET   2           H        MET   2 -16.724  -7.152   4.832
    2    HA   MET   2           HA       MET   2 -15.863  -7.210   7.520
    3    HB2  MET   2           HB2      MET   2 -15.241  -9.549   6.639
    4    HB3  MET   2           HB3      MET   2 -14.006  -8.723   5.699
    5    HG2  MET   2           HG2      MET   2 -13.126  -7.772   7.827
    6    HG3  MET   2           HG3      MET   2 -14.271  -8.795   8.693
    7    HE3  MET   2           HE1      MET   2 -12.443 -11.456   9.667
    8    HE2  MET   2           HE2      MET   2 -13.583 -12.057   8.463
    9    HE1  MET   2           HE3      MET   2 -14.012 -10.675   9.470

  No H/Q in entry =           9
  In of MODEL   40
    1    H    ASP   3           H        ASP   3 -14.238  -5.722   7.921
    2    HA   ASP   3           HA       ASP   3 -13.893  -3.683   5.998
    3    HB2  ASP   3           HB2      ASP   3 -12.818  -4.237   8.726
    4    HB3  ASP   3           HB3      ASP   3 -12.005  -3.021   7.745

  No H/Q in entry =           4
  In of MODEL   40
    1    H    CYS   4           H        CYS   4 -13.023  -4.739   4.159
    2    HA   CYS   4           HA       CYS   4 -10.266  -5.699   4.405
    3    HB2  CYS   4           HB2      CYS   4 -12.487  -6.566   2.880
    4    HB3  CYS   4           HB3      CYS   4 -11.298  -5.953   1.742

  No H/Q in entry =           4
  In of MODEL   40
    1    H    THR   5           H        THR   5 -12.222  -3.538   2.379
    2    HA   THR   5           HA       THR   5 -11.705  -1.584   1.315
    3    HB   THR   5           HB       THR   5  -9.046  -1.634   2.740
    4    HG1  THR   5           HG1      THR   5 -10.036  -1.242   4.532
    5   HG23  THR   5          HG21      THR   5  -8.942   0.642   2.457
    6   HG22  THR   5          HG22      THR   5 -10.681   0.799   2.205
    7   HG21  THR   5          HG23      THR   5  -9.663   0.121   0.934

  No H/Q in entry =           7
  In of MODEL   40
    1    H    THR   6           H        THR   6 -10.843  -1.077  -0.660
    2    HA   THR   6           HA       THR   6  -8.886  -2.999  -1.732
    3    HB   THR   6           HB       THR   6 -10.469  -1.409  -3.645
    4    HG1  THR   6           HG1      THR   6 -12.368  -2.393  -3.256
    5   HG21  THR   6          HG21      THR   6  -9.002  -3.276  -4.319
    6   HG23  THR   6          HG22      THR   6 -10.682  -3.486  -4.815
    7   HG22  THR   6          HG23      THR   6 -10.053  -4.378  -3.429

  No H/Q in entry =           7
  In of MODEL   40
    1    H    GLY   7           H        GLY   7  -7.226  -2.258  -3.093
    2    HA3  GLY   7           HA2      GLY   7  -6.664   0.112  -4.188
    3    HA2  GLY   7           HA3      GLY   7  -6.370   0.456  -2.491

  No H/Q in entry =           3
  In of MODEL   40
    1    HA   PRO   8           HA       PRO   8  -2.627  -1.564  -4.655
    2    HB2  PRO   8           HB2      PRO   8  -1.008   0.621  -4.744
    3    HB3  PRO   8           HB3      PRO   8  -2.095   0.170  -6.062
    4    HG2  PRO   8           HG2      PRO   8  -2.480   2.209  -3.903
    5    HG3  PRO   8           HG3      PRO   8  -2.844   2.330  -5.634
    6    HD2  PRO   8           HD2      PRO   8  -4.750   1.831  -3.788
    7    HD3  PRO   8           HD3      PRO   8  -4.819   1.155  -5.428

  No H/Q in entry =           7
  In of MODEL   40
    1    H    CYS   9           H        CYS   9  -3.375   0.171  -1.818
    2    HA   CYS   9           HA       CYS   9  -0.797  -0.483  -0.580
    3    HB2  CYS   9           HB2      CYS   9  -2.428   1.771  -0.389
    4    HB3  CYS   9           HB3      CYS   9  -2.674   0.927   1.135

  No H/Q in entry =           4
  In of MODEL   40
    1    H    CYS  10           H        CYS  10  -2.437  -2.655  -1.141
    2    HA   CYS  10           HA       CYS  10  -2.546  -3.945   1.351
    3    HB2  CYS  10           HB2      CYS  10  -5.068  -4.296   1.397
    4    HB3  CYS  10           HB3      CYS  10  -4.487  -2.716   1.911

  No H/Q in entry =           4
  In of MODEL   40
    1    H    ARG  11           H        ARG  11  -2.418  -6.078   1.014
    2    HA   ARG  11           HA       ARG  11  -2.397  -7.126  -1.621
    3    HB2  ARG  11           HB2      ARG  11  -2.089  -8.239   1.125
    4    HB3  ARG  11           HB3      ARG  11  -2.472  -9.367  -0.168
    5    HG2  ARG  11           HG2      ARG  11  -0.462  -7.997  -1.320
    6    HG3  ARG  11           HG3      ARG  11   0.006  -7.878   0.377
    7    HD2  ARG  11           HD2      ARG  11   0.928  -9.894   0.093
    8    HD3  ARG  11           HD3      ARG  11  -0.722 -10.511   0.141
    9    HE   ARG  11           HE       ARG  11  -0.554 -11.002  -2.082
   10   HH11  ARG  11          HH11      ARG  11   1.946  -8.710  -1.262
   11   HH12  ARG  11          HH12      ARG  11   2.708  -8.796  -2.814
   12   HH21  ARG  11          HH21      ARG  11   0.447 -11.116  -4.125
   13   HH22  ARG  11          HH22      ARG  11   1.857 -10.161  -4.440

  No H/Q in entry =          13
  In of MODEL   40
    1    H    GLN  12           H        GLN  12  -4.228  -7.232  -2.772
    2    HA   GLN  12           HA       GLN  12  -6.295  -7.927  -3.440
    3    HB2  GLN  12           HB2      GLN  12  -6.560  -9.439  -0.845
    4    HB3  GLN  12           HB3      GLN  12  -7.378  -9.755  -2.368
    5    HG2  GLN  12           HG2      GLN  12  -5.825 -11.312  -2.685
    6    HG3  GLN  12           HG3      GLN  12  -4.743  -9.973  -3.066
    7   HE21  GLN  12          HE21      GLN  12  -2.984 -11.235  -2.355
    8   HE22  GLN  12          HE22      GLN  12  -2.661 -11.453  -0.672

  No H/Q in entry =           8
  In of MODEL   40
    1    H    CYS  13           H        CYS  13  -6.609  -7.725   0.089
    2    HA   CYS  13           HA       CYS  13  -7.920  -5.205   0.011
    3    HB2  CYS  13           HB2      CYS  13 -10.110  -5.909   0.767
    4    HB3  CYS  13           HB3      CYS  13  -9.753  -6.657  -0.779

  No H/Q in entry =           4
  In of MODEL   40
    1    H    LYS  14           H        LYS  14  -5.692  -6.497   1.339
    2    HA   LYS  14           HA       LYS  14  -6.583  -6.256   4.137
    3    HB2  LYS  14           HB2      LYS  14  -4.645  -8.111   2.829
    4    HB3  LYS  14           HB3      LYS  14  -4.318  -7.593   4.478
    5    HG2  LYS  14           HG2      LYS  14  -5.516  -9.463   4.922
    6    HG3  LYS  14           HG3      LYS  14  -6.848  -8.311   4.806
    7    HD2  LYS  14           HD2      LYS  14  -6.930  -8.945   2.325
    8    HD3  LYS  14           HD3      LYS  14  -5.918 -10.320   2.775
    9    HE2  LYS  14           HE2      LYS  14  -8.653  -9.659   3.861
   10    HE3  LYS  14           HE3      LYS  14  -8.248 -10.977   2.763
   11    HZ2  LYS  14           HZ1      LYS  14  -7.582 -10.692   5.624
   12    HZ1  LYS  14           HZ2      LYS  14  -6.684 -11.720   4.625
   13    HZ3  LYS  14           HZ3      LYS  14  -8.341 -11.982   4.835

  No H/Q in entry =          13
  In of MODEL   40
    1    H    LEU  15           H        LEU  15  -5.931  -4.421   5.021
    2    HA   LEU  15           HA       LEU  15  -4.304  -2.508   3.984
    3    HB2  LEU  15           HB2      LEU  15  -5.031  -3.236   6.782
    4    HB3  LEU  15           HB3      LEU  15  -3.806  -2.006   6.532
    5    HG   LEU  15           HG       LEU  15  -6.582  -1.874   5.358
    6   HD12  LEU  15          HD11      LEU  15  -6.831  -0.041   7.120
    7   HD11  LEU  15          HD12      LEU  15  -5.456  -0.801   7.923
    8   HD13  LEU  15          HD13      LEU  15  -6.942  -1.716   7.662
    9   HD21  LEU  15          HD21      LEU  15  -4.387  -0.583   4.500
   10   HD23  LEU  15          HD22      LEU  15  -4.916   0.526   5.766
   11   HD22  LEU  15          HD23      LEU  15  -6.008   0.109   4.445

  No H/Q in entry =          11
  In of MODEL   40
    1    H    LYS  16           H        LYS  16  -2.385  -3.004   3.078
    2    HA   LYS  16           HA       LYS  16  -0.527  -4.859   3.979
    3    HB2  LYS  16           HB2      LYS  16  -0.709  -3.028   1.871
    4    HB3  LYS  16           HB3      LYS  16   0.770  -2.593   2.716
    5    HG2  LYS  16           HG2      LYS  16   1.822  -4.247   1.697
    6    HG3  LYS  16           HG3      LYS  16   0.748  -5.406   2.484
    7    HD2  LYS  16           HD2      LYS  16   0.427  -5.882   0.241
    8    HD3  LYS  16           HD3      LYS  16  -0.904  -4.775   0.582
    9    HE2  LYS  16           HE2      LYS  16  -0.071  -3.163  -0.750
   10    HE3  LYS  16           HE3      LYS  16   1.594  -3.483  -0.264
   11    HZ3  LYS  16           HZ1      LYS  16   1.424  -4.047  -2.533
   12    HZ2  LYS  16           HZ2      LYS  16  -0.006  -4.921  -2.302
   13    HZ1  LYS  16           HZ3      LYS  16   1.457  -5.519  -1.698

  No H/Q in entry =          13
  In of MODEL   40
    1    HA   PRO  17           HA       PRO  17   1.205  -3.050   7.631
    2    HB2  PRO  17           HB2      PRO  17   3.732  -4.130   7.469
    3    HB3  PRO  17           HB3      PRO  17   2.318  -4.990   8.086
    4    HG2  PRO  17           HG2      PRO  17   3.576  -5.108   5.377
    5    HG3  PRO  17           HG3      PRO  17   2.915  -6.424   6.365
    6    HD2  PRO  17           HD2      PRO  17   1.548  -5.387   4.299
    7    HD3  PRO  17           HD3      PRO  17   0.729  -5.936   5.775

  No H/Q in entry =           7
  In of MODEL   40
    1    H    ALA  18           H        ALA  18   2.147  -1.147   8.073
    2    HA   ALA  18           HA       ALA  18   3.018   0.633   6.172
    3    HB1  ALA  18           HB1      ALA  18   3.691   0.477   9.102
    4    HB3  ALA  18           HB2      ALA  18   2.430   1.437   8.328
    5    HB2  ALA  18           HB3      ALA  18   4.127   1.845   8.078

  No H/Q in entry =           5
  In of MODEL   40
    1    H    GLY  19           H        GLY  19   5.225   1.618   5.952
    2    HA3  GLY  19           HA2      GLY  19   7.435   1.432   5.354
    3    HA2  GLY  19           HA3      GLY  19   7.569   0.198   6.598

  No H/Q in entry =           3
  In of MODEL   40
    1    H    THR  20           H        THR  20   5.208  -0.396   4.193
    2    HA   THR  20           HA       THR  20   7.046  -2.237   2.812
    3    HB   THR  20           HB       THR  20   4.094  -2.675   3.306
    4    HG1  THR  20           HG1      THR  20   4.663  -3.424   5.161
    5   HG21  THR  20          HG21      THR  20   6.228  -4.483   2.206
    6   HG23  THR  20          HG22      THR  20   4.787  -3.893   1.376
    7   HG22  THR  20          HG23      THR  20   4.630  -5.022   2.722

  No H/Q in entry =           7
  In of MODEL   40
    1    H    THR  21           H        THR  21   7.051  -2.202   0.628
    2    HA   THR  21           HA       THR  21   6.094   0.014  -0.750
    3    HB   THR  21           HB       THR  21   6.359  -2.083  -2.630
    4    HG1  THR  21           HG1      THR  21   7.609  -3.455  -1.688
    5   HG22  THR  21          HG21      THR  21   8.656  -1.035  -2.945
    6   HG21  THR  21          HG22      THR  21   8.165   0.108  -1.694
    7   HG23  THR  21          HG23      THR  21   7.243  -0.009  -3.193

  No H/Q in entry =           7
  In of MODEL   40
    1    H    CYS  22           H        CYS  22   4.199   0.559  -1.601
    2    HA   CYS  22           HA       CYS  22   2.110  -1.508  -1.739
    3    HB2  CYS  22           HB2      CYS  22   0.518   0.463  -1.672
    4    HB3  CYS  22           HB3      CYS  22   1.426   0.164  -0.195

  No H/Q in entry =           4
  In of MODEL   40
    1    H    TRP  23           H        TRP  23   4.164  -0.767  -3.799
    2    HA   TRP  23           HA       TRP  23   2.403  -0.823  -6.034
    3    HB2  TRP  23           HB2      TRP  23   2.881   1.716  -5.165
    4    HB3  TRP  23           HB3      TRP  23   4.170   1.509  -6.346
    5    HD1  TRP  23           HD1      TRP  23   1.763  -0.542  -7.865
    6    HE1  TRP  23           HE1      TRP  23   0.242   0.713  -9.519
    7    HE3  TRP  23           HE3      TRP  23   2.704   4.242  -6.350
    8    HZ2  TRP  23           HZ2      TRP  23  -0.463   3.378 -10.101
    9    HZ3  TRP  23           HZ3      TRP  23   1.568   6.092  -7.511
   10    HH2  TRP  23           HH2      TRP  23   0.021   5.665  -9.350

  No H/Q in entry =          10
  In of MODEL   40
    1    H    LYS  24           H        LYS  24   5.661   0.539  -5.711
    2    HA   LYS  24           HA       LYS  24   7.644  -0.045  -6.666
    3    HB2  LYS  24           HB2      LYS  24   7.369  -1.935  -5.081
    4    HB3  LYS  24           HB3      LYS  24   6.572  -2.854  -6.351
    5    HG2  LYS  24           HG2      LYS  24   8.518  -3.195  -7.518
    6    HG3  LYS  24           HG3      LYS  24   9.298  -1.761  -6.847
    7    HD2  LYS  24           HD2      LYS  24  10.034  -2.859  -5.014
    8    HD3  LYS  24           HD3      LYS  24   8.582  -3.856  -4.902
    9    HE2  LYS  24           HE2      LYS  24  10.493  -4.310  -7.146
   10    HE3  LYS  24           HE3      LYS  24  10.896  -4.916  -5.540
   11    HZ1  LYS  24           HZ1      LYS  24   8.238  -5.492  -6.643
   12    HZ3  LYS  24           HZ2      LYS  24   9.176  -6.401  -5.568
   13    HZ2  LYS  24           HZ3      LYS  24   9.562  -6.378  -7.214

  No H/Q in entry =          13
  In of MODEL   40
    1    H    THR  25           H        THR  25   5.429   0.535  -8.423
    2    HA   THR  25           HA       THR  25   5.089  -1.201 -10.547
    3    HB   THR  25           HB       THR  25   3.830   0.915 -10.222
    4    HG1  THR  25           HG1      THR  25   3.780  -0.094 -12.253
    5   HG23  THR  25          HG21      THR  25   4.744   2.924 -10.227
    6   HG22  THR  25          HG22      THR  25   5.597   2.604 -11.738
    7   HG21  THR  25          HG23      THR  25   6.316   2.129 -10.201

  No H/Q in entry =           7
  In of MODEL   40
    1    H    SER  26           H        SER  26   5.879  -0.527 -12.862
    2    HA   SER  26           HA       SER  26   8.558  -1.313 -13.049
    3    HB2  SER  26           HB2      SER  26   6.795   0.007 -15.121
    4    HB3  SER  26           HB3      SER  26   8.338  -0.776 -15.462
    5    HG   SER  26           HG       SER  26   7.249  -2.556 -15.575

  No H/Q in entry =           5
  In of MODEL   40
    1    H    VAL  27           H        VAL  27   7.198   1.856 -12.664
    2    HA   VAL  27           HA       VAL  27   9.868   2.978 -12.576
    3    HB   VAL  27           HB       VAL  27   7.850   4.195 -14.464
    4   HG12  VAL  27          HG11      VAL  27  10.210   5.255 -15.159
    5   HG11  VAL  27          HG12      VAL  27  10.506   4.988 -13.441
    6   HG13  VAL  27          HG13      VAL  27   9.143   5.981 -13.958
    7   HG23  VAL  27          HG21      VAL  27   9.402   3.458 -16.260
    8   HG22  VAL  27          HG22      VAL  27   8.597   2.126 -15.431
    9   HG21  VAL  27          HG23      VAL  27  10.278   2.509 -15.059

  No H/Q in entry =           9
  In of MODEL   40
    1    H    SER  28           H        SER  28   8.181   2.647 -10.475
    2    HA   SER  28           HA       SER  28   8.081   5.144  -9.284
    3    HB2  SER  28           HB2      SER  28   5.822   4.676 -11.025
    4    HB3  SER  28           HB3      SER  28   5.283   4.854  -9.355
    5    HG   SER  28           HG       SER  28   5.396   6.885 -10.250

  No H/Q in entry =           5
  In of MODEL   40
    1    H    SER  29           H        SER  29   8.931   3.776  -7.661
    2    HA   SER  29           HA       SER  29   7.103   1.843  -6.453
    3    HB2  SER  29           HB2      SER  29   9.978   2.474  -5.732
    4    HB3  SER  29           HB3      SER  29   9.022   1.120  -5.130
    5    HG   SER  29           HG       SER  29  10.093   1.544  -7.695

  No H/Q in entry =           5
  In of MODEL   40
    1    H    HIS  30           H        HIS  30   6.011   2.208  -4.633
    2    HA   HIS  30           HA       HIS  30   6.695   4.606  -3.061
    3    HB2  HIS  30           HB2      HIS  30   3.939   3.510  -3.656
    4    HB3  HIS  30           HB3      HIS  30   4.286   4.902  -2.633
    5    HD1  HIS  30           HD1      HIS  30   3.571   6.909  -3.897
    6    HD2  HIS  30           HD2      HIS  30   5.513   4.159  -6.330
    7    HE1  HIS  30           HE1      HIS  30   3.735   8.006  -6.154
    8    HE2  HIS  30           HE2      HIS  30   4.992   6.358  -7.586

  No H/Q in entry =           8
  In of MODEL   40
    1    H    TYR  31           H        TYR  31   5.217   4.399  -0.886
    2    HA   TYR  31           HA       TYR  31   5.647   1.697   0.193
    3    HB2  TYR  31           HB2      TYR  31   6.878   4.227   1.051
    4    HB3  TYR  31           HB3      TYR  31   6.173   3.284   2.360
    5    HD1  TYR  31           HD1      TYR  31   8.126   2.457  -0.726
    6    HD2  TYR  31           HD2      TYR  31   7.750   2.052   3.492
    7    HE1  TYR  31           HE1      TYR  31  10.123   1.023  -0.692
    8    HE2  TYR  31           HE2      TYR  31   9.746   0.617   3.538
    9    HH   TYR  31           HH       TYR  31  11.072  -0.778   0.807

  No H/Q in entry =           9
  In of MODEL   40
    1    H    CYS  32           H        CYS  32   4.370   1.178   2.071
    2    HA   CYS  32           HA       CYS  32   1.833   2.652   2.108
    3    HB2  CYS  32           HB2      CYS  32   2.150   0.047   1.662
    4    HB3  CYS  32           HB3      CYS  32   2.131  -0.010   3.420

  No H/Q in entry =           4
  In of MODEL   40
    1    H    THR  33           H        THR  33   0.816   3.151   4.084
    2    HA   THR  33           HA       THR  33   2.681   3.353   6.350
    3    HB   THR  33           HB       THR  33   2.065   5.536   5.677
    4    HG1  THR  33           HG1      THR  33   0.239   4.899   7.745
    5   HG23  THR  33          HG21      THR  33   0.263   5.386   4.247
    6   HG22  THR  33          HG22      THR  33  -0.434   6.159   5.670
    7   HG21  THR  33          HG23      THR  33  -0.694   4.438   5.385

  No H/Q in entry =           7
  In of MODEL   40
    1    H    GLY  34           H        GLY  34   0.656   1.184   5.472
    2    HA3  GLY  34           HA2      GLY  34  -0.903  -0.199   6.456
    3    HA2  GLY  34           HA3      GLY  34   0.045   0.094   7.905

  No H/Q in entry =           3
  In of MODEL   40
    1    H    ARG  35           H        ARG  35  -1.867   2.480   6.137
    2    HA   ARG  35           HA       ARG  35  -3.622   2.688   8.495
    3    HB2  ARG  35           HB2      ARG  35  -2.345   4.780   6.786
    4    HB3  ARG  35           HB3      ARG  35  -3.897   5.125   7.537
    5    HG2  ARG  35           HG2      ARG  35  -2.886   4.549   9.737
    6    HG3  ARG  35           HG3      ARG  35  -1.326   4.409   8.924
    7    HD2  ARG  35           HD2      ARG  35  -1.288   6.696   8.375
    8    HD3  ARG  35           HD3      ARG  35  -3.004   6.892   8.729
    9    HE   ARG  35           HE       ARG  35  -1.716   6.086  11.074
   10   HH11  ARG  35          HH11      ARG  35  -1.808   8.833   8.923
   11   HH12  ARG  35          HH12      ARG  35  -1.412   9.976  10.163
   12   HH21  ARG  35          HH21      ARG  35  -1.195   7.587  12.706
   13   HH22  ARG  35          HH22      ARG  35  -1.064   9.268  12.311

  No H/Q in entry =          13
  In of MODEL   40
    1    H    SER  36           H        SER  36  -3.430   2.918   4.983
    2    HA   SER  36           HA       SER  36  -6.220   2.116   4.804
    3    HB2  SER  36           HB2      SER  36  -5.480   4.406   3.049
    4    HB3  SER  36           HB3      SER  36  -7.046   3.971   3.735
    5    HG   SER  36           HG       SER  36  -6.443   4.858   5.666

  No H/Q in entry =           5
  In of MODEL   40
    1    H    CYS  37           H        CYS  37  -6.836   1.788   2.425
    2    HA   CYS  37           HA       CYS  37  -4.837   0.102   1.249
    3    HB2  CYS  37           HB2      CYS  37  -7.699   0.701   0.779
    4    HB3  CYS  37           HB3      CYS  37  -6.781   0.153  -0.619

  No H/Q in entry =           4
  In of MODEL   40
    1    H    GLU  38           H        GLU  38  -5.486   3.394   1.036
    2    HA   GLU  38           HA       GLU  38  -4.827   3.766  -1.733
    3    HB2  GLU  38           HB2      GLU  38  -4.889   5.775   0.526
    4    HB3  GLU  38           HB3      GLU  38  -4.812   6.156  -1.189
    5    HG2  GLU  38           HG2      GLU  38  -7.017   4.685  -1.227
    6    HG3  GLU  38           HG3      GLU  38  -7.093   5.223   0.451

  No H/Q in entry =           6
  In of MODEL   40
    1    H    CYS  39           H        CYS  39  -2.863   3.640  -2.567
    2    HA   CYS  39           HA       CYS  39  -0.530   3.674  -0.847
    3    HB2  CYS  39           HB2      CYS  39  -0.700   1.972  -2.600
    4    HB3  CYS  39           HB3      CYS  39  -0.788   3.229  -3.828

  No H/Q in entry =           4
  In of MODEL   40
    1    HA   PRO  40           HA       PRO  40  -0.056   8.136  -1.257
    2    HB2  PRO  40           HB2      PRO  40   2.731   7.244  -0.624
    3    HB3  PRO  40           HB3      PRO  40   1.807   8.597   0.041
    4    HG2  PRO  40           HG2      PRO  40   2.088   6.336   1.421
    5    HG3  PRO  40           HG3      PRO  40   0.558   7.231   1.436
    6    HD2  PRO  40           HD2      PRO  40   1.245   4.682   0.080
    7    HD3  PRO  40           HD3      PRO  40  -0.320   5.252   0.692

  No H/Q in entry =           7
  In of MODEL   40
    1    H    SER  41           H        SER  41   1.257   9.594  -2.553
    2    HA   SER  41           HA       SER  41   2.121   8.315  -5.045
    3    HB2  SER  41           HB2      SER  41   0.927  10.949  -4.357
    4    HB3  SER  41           HB3      SER  41   2.064  10.915  -5.704
    5    HG   SER  41           HG       SER  41  -0.458  10.254  -5.767

  No H/Q in entry =           5
  In of MODEL   40
    1    H    TYR  42           H        TYR  42   3.789   8.435  -2.634
    2    HA   TYR  42           HA       TYR  42   6.074   9.845  -3.822
    3    HB2  TYR  42           HB2      TYR  42   6.795  10.661  -1.664
    4    HB3  TYR  42           HB3      TYR  42   5.140  11.190  -1.944
    5    HD1  TYR  42           HD1      TYR  42   7.147   8.592  -0.199
    6    HD2  TYR  42           HD2      TYR  42   3.467  10.719  -0.376
    7    HE1  TYR  42           HE1      TYR  42   6.478   7.600   1.949
    8    HE2  TYR  42           HE2      TYR  42   2.788   9.733   1.773
    9    HH   TYR  42           HH       TYR  42   4.702   8.472   3.906

  No H/Q in entry =           9
  In of MODEL   40
    1    HA   PRO  43           HA       PRO  43   8.134   5.990  -3.159
    2    HB2  PRO  43           HB2      PRO  43  10.710   6.785  -3.250
    3    HB3  PRO  43           HB3      PRO  43   9.678   6.770  -4.685
    4    HG2  PRO  43           HG2      PRO  43  10.429   9.067  -2.917
    5    HG3  PRO  43           HG3      PRO  43  10.357   8.997  -4.688
    6    HD2  PRO  43           HD2      PRO  43   8.381  10.081  -3.165
    7    HD3  PRO  43           HD3      PRO  43   8.078   9.303  -4.731

  No H/Q in entry =           7
  In of MODEL   40
    1    H    GLY  44           H        GLY  44   9.080   4.765  -1.549
    2    HA3  GLY  44           HA2      GLY  44   8.851   5.647   1.100
    3    HA2  GLY  44           HA3      GLY  44   9.701   4.198   0.586

  No H/Q in entry =           3
  In of MODEL   40
    1    H    ASN  45           H        ASN  45  10.009   7.276   1.921
    2    HA   ASN  45           HA       ASN  45  12.822   7.564   1.223
    3    HB2  ASN  45           HB2      ASN  45  11.085   9.487   1.407
    4    HB3  ASN  45           HB3      ASN  45  11.343   9.341   3.143
    5   HD21  ASN  45          HD21      ASN  45  12.850  10.075   0.076
    6   HD22  ASN  45          HD22      ASN  45  14.197  10.939   0.726

  No H/Q in entry =           6
  In of MODEL   40
    1    H    GLY  46           H        GLY  46  10.887   7.416   4.221
    2    HA3  GLY  46           HA2      GLY  46  11.890   5.540   5.709
    3    HA2  GLY  46           HA3      GLY  46  13.308   6.577   5.660

  No H/Q in entry =           3
  In of MODEL   41
    1    H1   ALA   1           H3       ALA   1 -14.849  -8.583  11.244
    2    H2   ALA   1           H2       ALA   1 -16.564  -8.642  11.228
    3    H3   ALA   1           H1       ALA   1 -15.651 -10.063  10.925
    4    HA   ALA   1           HA       ALA   1 -14.990  -9.383   8.880
    5    HB1  ALA   1           HB1      ALA   1 -17.172 -10.006   8.528
    6    HB3  ALA   1           HB2      ALA   1 -17.185  -8.364   7.884
    7    HB2  ALA   1           HB3      ALA   1 -17.821  -8.684   9.498

  No H/Q in entry =           7
  In of MODEL   41
    1    H    MET   2           H        MET   2 -13.983  -7.878   7.694
    2    HA   MET   2           HA       MET   2 -14.512  -5.045   8.254
    3    HB2  MET   2           HB2      MET   2 -11.910  -6.497   8.443
    4    HB3  MET   2           HB3      MET   2 -11.904  -4.842   7.849
    5    HG2  MET   2           HG2      MET   2 -12.396  -3.969   9.866
    6    HG3  MET   2           HG3      MET   2 -13.428  -5.322  10.323
    7    HE3  MET   2           HE1      MET   2  -9.026  -5.676   9.824
    8    HE2  MET   2           HE2      MET   2  -9.251  -4.282  10.881
    9    HE1  MET   2           HE3      MET   2 -10.045  -4.333   9.306

  No H/Q in entry =           9
  In of MODEL   41
    1    H    ASP   3           H        ASP   3 -14.337  -3.674   6.514
    2    HA   ASP   3           HA       ASP   3 -14.470  -4.906   3.920
    3    HB2  ASP   3           HB2      ASP   3 -14.883  -2.605   3.109
    4    HB3  ASP   3           HB3      ASP   3 -15.947  -3.042   4.443

  No H/Q in entry =           4
  In of MODEL   41
    1    H    CYS   4           H        CYS   4 -13.263  -3.712   2.073
    2    HA   CYS   4           HA       CYS   4 -10.522  -3.029   2.839
    3    HB2  CYS   4           HB2      CYS   4  -9.793  -4.504   0.832
    4    HB3  CYS   4           HB3      CYS   4 -10.119  -5.264   2.384

  No H/Q in entry =           4
  In of MODEL   41
    1    H    THR   5           H        THR   5  -9.526  -1.587   1.510
    2    HA   THR   5           HA       THR   5 -11.197  -0.417  -0.592
    3    HB   THR   5           HB       THR   5  -8.792   0.674   0.875
    4    HG1  THR   5           HG1      THR   5 -10.420   0.914   2.237
    5   HG21  THR   5          HG21      THR   5 -10.373   1.793  -1.389
    6   HG23  THR   5          HG22      THR   5  -8.635   1.845  -1.095
    7   HG22  THR   5          HG23      THR   5  -9.719   2.870  -0.155

  No H/Q in entry =           7
  In of MODEL   41
    1    H    THR   6           H        THR   6 -10.423  -2.544  -1.688
    2    HA   THR   6           HA       THR   6  -8.096  -3.316  -2.630
    3    HB   THR   6           HB       THR   6  -9.332  -3.276  -5.032
    4    HG1  THR   6           HG1      THR   6 -11.547  -3.294  -4.695
    5   HG21  THR   6          HG21      THR   6  -8.927  -5.162  -3.114
    6   HG23  THR   6          HG22      THR   6  -9.726  -5.436  -4.662
    7   HG22  THR   6          HG23      THR   6 -10.687  -5.115  -3.219

  No H/Q in entry =           7
  In of MODEL   41
    1    H    GLY   7           H        GLY   7  -6.301  -2.373  -3.284
    2    HA3  GLY   7           HA2      GLY   7  -6.222  -0.564  -5.477
    3    HA2  GLY   7           HA3      GLY   7  -5.986   0.289  -3.959

  No H/Q in entry =           3
  In of MODEL   41
    1    HA   PRO   8           HA       PRO   8  -1.804  -1.120  -5.131
    2    HB2  PRO   8           HB2      PRO   8  -0.493   1.128  -4.519
    3    HB3  PRO   8           HB3      PRO   8  -1.447   0.994  -6.002
    4    HG2  PRO   8           HG2      PRO   8  -2.141   2.321  -3.414
    5    HG3  PRO   8           HG3      PRO   8  -2.442   2.872  -5.072
    6    HD2  PRO   8           HD2      PRO   8  -4.314   1.628  -3.467
    7    HD3  PRO   8           HD3      PRO   8  -4.374   1.670  -5.239

  No H/Q in entry =           7
  In of MODEL   41
    1    H    CYS   9           H        CYS   9  -3.070   0.168  -2.145
    2    HA   CYS   9           HA       CYS   9  -0.744  -0.885  -0.687
    3    HB2  CYS   9           HB2      CYS   9  -2.285   1.492  -0.387
    4    HB3  CYS   9           HB3      CYS   9  -2.516   0.513   1.056

  No H/Q in entry =           4
  In of MODEL   41
    1    H    CYS  10           H        CYS  10  -2.554  -2.747  -1.696
    2    HA   CYS  10           HA       CYS  10  -3.046  -4.360   0.502
    3    HB2  CYS  10           HB2      CYS  10  -5.607  -4.291   0.452
    4    HB3  CYS  10           HB3      CYS  10  -4.781  -2.987   1.298

  No H/Q in entry =           4
  In of MODEL   41
    1    H    ARG  11           H        ARG  11  -4.812  -6.118  -0.106
    2    HA   ARG  11           HA       ARG  11  -5.461  -6.622  -2.773
    3    HB2  ARG  11           HB2      ARG  11  -3.764  -8.468  -3.202
    4    HB3  ARG  11           HB3      ARG  11  -3.176  -6.817  -3.342
    5    HG2  ARG  11           HG2      ARG  11  -2.045  -6.944  -1.271
    6    HG3  ARG  11           HG3      ARG  11  -2.858  -8.450  -0.841
    7    HD2  ARG  11           HD2      ARG  11  -0.505  -8.755  -1.582
    8    HD3  ARG  11           HD3      ARG  11  -1.678  -9.647  -2.549
    9    HE   ARG  11           HE       ARG  11  -1.143  -7.119  -3.709
   10   HH11  ARG  11          HH11      ARG  11   0.252 -10.288  -3.269
   11   HH12  ARG  11          HH12      ARG  11   1.217 -10.200  -4.704
   12   HH21  ARG  11          HH21      ARG  11   0.125  -7.002  -5.597
   13   HH22  ARG  11          HH22      ARG  11   1.146  -8.334  -6.026

  No H/Q in entry =          13
  In of MODEL   41
    1    H    GLN  12           H        GLN  12  -4.511  -7.980   0.330
    2    HA   GLN  12           HA       GLN  12  -6.090 -10.371  -0.064
    3    HB2  GLN  12           HB2      GLN  12  -4.469  -9.312   2.243
    4    HB3  GLN  12           HB3      GLN  12  -5.452 -10.764   2.377
    5    HG2  GLN  12           HG2      GLN  12  -4.088 -11.396   0.179
    6    HG3  GLN  12           HG3      GLN  12  -2.917 -10.311   0.927
    7   HE21  GLN  12          HE21      GLN  12  -1.505 -11.272   2.183
    8   HE22  GLN  12          HE22      GLN  12  -1.751 -12.731   3.074

  No H/Q in entry =           8
  In of MODEL   41
    1    H    CYS  13           H        CYS  13  -7.040  -7.334   0.413
    2    HA   CYS  13           HA       CYS  13  -8.963  -6.387   1.123
    3    HB2  CYS  13           HB2      CYS  13 -10.028  -8.457   0.253
    4    HB3  CYS  13           HB3      CYS  13  -9.839  -9.191   1.841

  No H/Q in entry =           4
  In of MODEL   41
    1    H    LYS  14           H        LYS  14  -6.826  -6.307   2.833
    2    HA   LYS  14           HA       LYS  14  -8.111  -5.771   5.300
    3    HB2  LYS  14           HB2      LYS  14  -6.591  -8.314   5.020
    4    HB3  LYS  14           HB3      LYS  14  -6.374  -7.403   6.507
    5    HG2  LYS  14           HG2      LYS  14  -8.203  -8.375   7.284
    6    HG3  LYS  14           HG3      LYS  14  -9.130  -7.461   6.093
    7    HD2  LYS  14           HD2      LYS  14  -9.767  -9.627   5.614
    8    HD3  LYS  14           HD3      LYS  14  -8.431  -9.394   4.484
    9    HE2  LYS  14           HE2      LYS  14  -7.747 -10.437   7.167
   10    HE3  LYS  14           HE3      LYS  14  -8.634 -11.522   6.098
   11    HZ1  LYS  14           HZ1      LYS  14  -6.779 -10.650   4.428
   12    HZ3  LYS  14           HZ2      LYS  14  -6.553 -12.006   5.414
   13    HZ2  LYS  14           HZ3      LYS  14  -5.914 -10.509   5.876

  No H/Q in entry =          13
  In of MODEL   41
    1    H    LEU  15           H        LEU  15  -6.834  -4.093   3.783
    2    HA   LEU  15           HA       LEU  15  -5.050  -2.670   3.509
    3    HB2  LEU  15           HB2      LEU  15  -6.184  -2.520   6.028
    4    HB3  LEU  15           HB3      LEU  15  -4.462  -2.540   6.357
    5    HG   LEU  15           HG       LEU  15  -5.142  -0.261   6.206
    6   HD13  LEU  15          HD11      LEU  15  -3.345   0.338   5.040
    7   HD12  LEU  15          HD12      LEU  15  -4.032  -0.263   3.531
    8   HD11  LEU  15          HD13      LEU  15  -3.167  -1.362   4.606
    9   HD21  LEU  15          HD21      LEU  15  -6.932  -1.257   4.216
   10   HD23  LEU  15          HD22      LEU  15  -5.982   0.062   3.531
   11   HD22  LEU  15          HD23      LEU  15  -6.914   0.320   5.006

  No H/Q in entry =          11
  In of MODEL   41
    1    H    LYS  16           H        LYS  16  -3.240  -3.418   2.588
    2    HA   LYS  16           HA       LYS  16  -1.610  -5.480   3.360
    3    HB2  LYS  16           HB2      LYS  16  -1.527  -3.461   1.422
    4    HB3  LYS  16           HB3      LYS  16  -0.005  -3.320   2.289
    5    HG2  LYS  16           HG2      LYS  16   0.777  -5.295   1.518
    6    HG3  LYS  16           HG3      LYS  16  -0.820  -6.046   1.500
    7    HD2  LYS  16           HD2      LYS  16  -1.366  -5.116  -0.568
    8    HD3  LYS  16           HD3      LYS  16  -0.116  -3.876  -0.445
    9    HE2  LYS  16           HE2      LYS  16   1.593  -5.681  -0.609
   10    HE3  LYS  16           HE3      LYS  16   0.287  -6.829  -0.904
   11    HZ2  LYS  16           HZ1      LYS  16   1.403  -4.794  -2.662
   12    HZ1  LYS  16           HZ2      LYS  16  -0.270  -5.022  -2.749
   13    HZ3  LYS  16           HZ3      LYS  16   0.775  -6.321  -3.033

  No H/Q in entry =          13
  In of MODEL   41
    1    HA   PRO  17           HA       PRO  17   0.449  -4.317   7.085
    2    HB2  PRO  17           HB2      PRO  17   2.884  -5.525   6.669
    3    HB3  PRO  17           HB3      PRO  17   1.432  -6.372   7.212
    4    HG2  PRO  17           HG2      PRO  17   2.595  -6.172   4.464
    5    HG3  PRO  17           HG3      PRO  17   1.880  -7.575   5.280
    6    HD2  PRO  17           HD2      PRO  17   0.518  -6.166   3.443
    7    HD3  PRO  17           HD3      PRO  17  -0.287  -6.872   4.860

  No H/Q in entry =           7
  In of MODEL   41
    1    H    ALA  18           H        ALA  18   1.626  -2.625   7.793
    2    HA   ALA  18           HA       ALA  18   2.563  -0.657   6.066
    3    HB2  ALA  18           HB1      ALA  18   3.196   0.528   7.945
    4    HB1  ALA  18           HB2      ALA  18   3.699  -0.919   8.818
    5    HB3  ALA  18           HB3      ALA  18   1.984  -0.571   8.602

  No H/Q in entry =           5
  In of MODEL   41
    1    H    GLY  19           H        GLY  19   4.874   0.219   6.117
    2    HA3  GLY  19           HA2      GLY  19   7.065  -0.050   5.487
    3    HA2  GLY  19           HA3      GLY  19   7.090  -1.424   6.582

  No H/Q in entry =           3
  In of MODEL   41
    1    H    THR  20           H        THR  20   4.789  -1.508   4.028
    2    HA   THR  20           HA       THR  20   6.505  -3.386   2.544
    3    HB   THR  20           HB       THR  20   3.498  -3.467   2.872
    4    HG1  THR  20           HG1      THR  20   4.749  -4.124   4.722
    5   HG22  THR  20          HG21      THR  20   5.071  -5.744   1.799
    6   HG21  THR  20          HG22      THR  20   4.648  -4.416   0.718
    7   HG23  THR  20          HG23      THR  20   3.379  -5.315   1.549

  No H/Q in entry =           7
  In of MODEL   41
    1    H    THR  21           H        THR  21   6.763  -3.046   0.412
    2    HA   THR  21           HA       THR  21   6.133  -0.596  -0.747
    3    HB   THR  21           HB       THR  21   6.431  -2.475  -2.846
    4    HG1  THR  21           HG1      THR  21   7.969  -3.817  -2.164
    5   HG22  THR  21          HG21      THR  21   8.896  -1.576  -2.616
    6   HG21  THR  21          HG22      THR  21   8.111  -0.414  -1.547
    7   HG23  THR  21          HG23      THR  21   7.586  -0.564  -3.224

  No H/Q in entry =           7
  In of MODEL   41
    1    H    CYS  22           H        CYS  22   4.378   0.210  -1.683
    2    HA   CYS  22           HA       CYS  22   2.174  -1.640  -2.298
    3    HB2  CYS  22           HB2      CYS  22   0.763   0.513  -2.118
    4    HB3  CYS  22           HB3      CYS  22   1.361  -0.214  -0.632

  No H/Q in entry =           4
  In of MODEL   41
    1    H    TRP  23           H        TRP  23   4.416  -0.906  -4.063
    2    HA   TRP  23           HA       TRP  23   2.889  -0.423  -6.412
    3    HB2  TRP  23           HB2      TRP  23   3.902   1.883  -5.100
    4    HB3  TRP  23           HB3      TRP  23   4.872   1.644  -6.550
    5    HD1  TRP  23           HD1      TRP  23   1.295   0.530  -6.764
    6    HE1  TRP  23           HE1      TRP  23  -0.028   2.145  -8.268
    7    HE3  TRP  23           HE3      TRP  23   4.770   4.227  -7.264
    8    HZ2  TRP  23           HZ2      TRP  23   0.338   4.646  -9.487
    9    HZ3  TRP  23           HZ3      TRP  23   4.204   6.208  -8.607
   10    HH2  TRP  23           HH2      TRP  23   2.032   6.410  -9.701

  No H/Q in entry =          10
  In of MODEL   41
    1    H    LYS  24           H        LYS  24   6.222   0.442  -5.649
    2    HA   LYS  24           HA       LYS  24   8.204  -0.235  -6.562
    3    HB2  LYS  24           HB2      LYS  24   7.506  -2.219  -5.147
    4    HB3  LYS  24           HB3      LYS  24   6.936  -2.972  -6.630
    5    HG2  LYS  24           HG2      LYS  24   9.436  -2.321  -7.374
    6    HG3  LYS  24           HG3      LYS  24   9.679  -2.562  -5.642
    7    HD2  LYS  24           HD2      LYS  24   8.666  -4.782  -5.807
    8    HD3  LYS  24           HD3      LYS  24   8.408  -4.539  -7.536
    9    HE2  LYS  24           HE2      LYS  24  10.766  -4.462  -7.942
   10    HE3  LYS  24           HE3      LYS  24  11.114  -4.459  -6.213
   11    HZ2  LYS  24           HZ1      LYS  24  11.213  -6.648  -7.655
   12    HZ1  LYS  24           HZ2      LYS  24   9.567  -6.700  -7.268
   13    HZ3  LYS  24           HZ3      LYS  24  10.724  -6.671  -6.035

  No H/Q in entry =          13
  In of MODEL   41
    1    H    THR  25           H        THR  25   5.997   0.538  -8.374
    2    HA   THR  25           HA       THR  25   5.955  -1.078 -10.674
    3    HB   THR  25           HB       THR  25   5.671   1.861 -10.994
    4    HG1  THR  25           HG1      THR  25   3.993   2.048  -9.681
    5   HG22  THR  25          HG21      THR  25   3.420   1.052 -11.907
    6   HG21  THR  25          HG22      THR  25   4.137  -0.559 -11.843
    7   HG23  THR  25          HG23      THR  25   4.878   0.698 -12.834

  No H/Q in entry =           7
  In of MODEL   41
    1    H    SER  26           H        SER  26   6.728  -0.140 -12.861
    2    HA   SER  26           HA       SER  26   9.586  -0.026 -12.752
    3    HB2  SER  26           HB2      SER  26   7.873  -0.976 -14.598
    4    HB3  SER  26           HB3      SER  26   8.193   0.611 -15.297
    5    HG   SER  26           HG       SER  26  10.332   0.118 -15.446

  No H/Q in entry =           5
  In of MODEL   41
    1    H    VAL  27           H        VAL  27   7.070   2.305 -12.805
    2    HA   VAL  27           HA       VAL  27   8.870   4.429 -13.711
    3    HB   VAL  27           HB       VAL  27   6.606   4.347 -14.696
    4   HG12  VAL  27          HG11      VAL  27   5.642   4.989 -11.909
    5   HG11  VAL  27          HG12      VAL  27   5.433   3.441 -12.729
    6   HG13  VAL  27          HG13      VAL  27   4.651   4.888 -13.365
    7   HG22  VAL  27          HG21      VAL  27   6.266   6.645 -14.681
    8   HG21  VAL  27          HG22      VAL  27   7.960   6.498 -14.212
    9   HG23  VAL  27          HG23      VAL  27   6.728   6.803 -12.986

  No H/Q in entry =           9
  In of MODEL   41
    1    H    SER  28           H        SER  28   7.268   3.217 -10.866
    2    HA   SER  28           HA       SER  28   8.726   5.151  -9.247
    3    HB2  SER  28           HB2      SER  28   6.456   6.121  -9.762
    4    HB3  SER  28           HB3      SER  28   5.755   4.765  -8.882
    5    HG   SER  28           HG       SER  28   7.093   6.996  -7.939

  No H/Q in entry =           5
  In of MODEL   41
    1    H    SER  29           H        SER  29   7.711   4.665  -6.804
    2    HA   SER  29           HA       SER  29   7.103   2.040  -6.103
    3    HB2  SER  29           HB2      SER  29   9.314   1.286  -5.213
    4    HB3  SER  29           HB3      SER  29   9.282   1.405  -6.972
    5    HG   SER  29           HG       SER  29  10.342   3.412  -6.787

  No H/Q in entry =           5
  In of MODEL   41
    1    H    HIS  30           H        HIS  30   6.208   2.267  -4.162
    2    HA   HIS  30           HA       HIS  30   7.409   4.163  -2.259
    3    HB2  HIS  30           HB2      HIS  30   4.427   3.829  -2.486
    4    HB3  HIS  30           HB3      HIS  30   5.331   5.127  -1.714
    5    HD1  HIS  30           HD1      HIS  30   4.831   7.187  -3.006
    6    HD2  HIS  30           HD2      HIS  30   5.468   3.916  -5.482
    7    HE1  HIS  30           HE1      HIS  30   4.729   8.086  -5.358
    8    HE2  HIS  30           HE2      HIS  30   5.242   6.112  -6.824

  No H/Q in entry =           8
  In of MODEL   41
    1    H    TYR  31           H        TYR  31   5.690   3.813  -0.154
    2    HA   TYR  31           HA       TYR  31   5.720   0.929   0.398
    3    HB2  TYR  31           HB2      TYR  31   7.135   3.095   1.869
    4    HB3  TYR  31           HB3      TYR  31   6.394   1.817   2.826
    5    HD1  TYR  31           HD1      TYR  31   8.521   2.138  -0.237
    6    HD2  TYR  31           HD2      TYR  31   7.738   0.030   3.374
    7    HE1  TYR  31           HE1      TYR  31  10.473   0.703  -0.658
    8    HE2  TYR  31           HE2      TYR  31   9.687  -1.411   2.963
    9    HH   TYR  31           HH       TYR  31  12.076  -0.702   0.809

  No H/Q in entry =           9
  In of MODEL   41
    1    H    CYS  32           H        CYS  32   4.390   0.341   2.298
    2    HA   CYS  32           HA       CYS  32   2.018   2.065   2.423
    3    HB2  CYS  32           HB2      CYS  32   2.096  -0.522   1.758
    4    HB3  CYS  32           HB3      CYS  32   1.969  -0.707   3.504

  No H/Q in entry =           4
  In of MODEL   41
    1    H    THR  33           H        THR  33   0.915   2.320   4.452
    2    HA   THR  33           HA       THR  33   2.757   2.220   6.747
    3    HB   THR  33           HB       THR  33   1.789   4.191   7.594
    4    HG1  THR  33           HG1      THR  33  -0.169   4.942   7.017
    5   HG22  THR  33          HG21      THR  33   1.695   4.617   4.619
    6   HG21  THR  33          HG22      THR  33   3.163   4.643   5.596
    7   HG23  THR  33          HG23      THR  33   1.903   5.847   5.866

  No H/Q in entry =           7
  In of MODEL   41
    1    H    GLY  34           H        GLY  34   0.625   0.273   5.633
    2    HA3  GLY  34           HA2      GLY  34  -1.028  -1.103   6.456
    3    HA2  GLY  34           HA3      GLY  34  -0.103  -0.996   7.945

  No H/Q in entry =           3
  In of MODEL   41
    1    H    ARG  35           H        ARG  35  -2.097   1.385   6.196
    2    HA   ARG  35           HA       ARG  35  -3.908   1.478   8.496
    3    HB2  ARG  35           HB2      ARG  35  -1.989   3.328   8.341
    4    HB3  ARG  35           HB3      ARG  35  -3.164   4.080   7.270
    5    HG2  ARG  35           HG2      ARG  35  -4.807   3.574   9.262
    6    HG3  ARG  35           HG3      ARG  35  -3.309   3.576  10.194
    7    HD2  ARG  35           HD2      ARG  35  -4.459   5.799   8.524
    8    HD3  ARG  35           HD3      ARG  35  -4.164   5.788  10.262
    9    HE   ARG  35           HE       ARG  35  -1.723   5.378   8.978
   10   HH11  ARG  35          HH11      ARG  35  -4.130   7.884   9.300
   11   HH12  ARG  35          HH12      ARG  35  -2.994   9.175   9.091
   12   HH21  ARG  35          HH21      ARG  35  -0.228   7.074   8.703
   13   HH22  ARG  35          HH22      ARG  35  -0.779   8.715   8.752

  No H/Q in entry =          13
  In of MODEL   41
    1    H    SER  36           H        SER  36  -3.287   2.595   5.197
    2    HA   SER  36           HA       SER  36  -6.093   2.085   4.551
    3    HB2  SER  36           HB2      SER  36  -4.725   4.726   4.428
    4    HB3  SER  36           HB3      SER  36  -5.812   4.315   3.102
    5    HG   SER  36           HG       SER  36  -6.376   4.696   5.822

  No H/Q in entry =           5
  In of MODEL   41
    1    H    CYS  37           H        CYS  37  -6.466   2.138   2.149
    2    HA   CYS  37           HA       CYS  37  -4.326   0.686   0.863
    3    HB2  CYS  37           HB2      CYS  37  -7.167   1.314   0.122
    4    HB3  CYS  37           HB3      CYS  37  -6.058   0.587  -1.035

  No H/Q in entry =           4
  In of MODEL   41
    1    H    GLU  38           H        GLU  38  -4.926   3.893   1.216
    2    HA   GLU  38           HA       GLU  38  -4.399   4.757  -1.482
    3    HB2  GLU  38           HB2      GLU  38  -5.790   6.100   0.048
    4    HB3  GLU  38           HB3      GLU  38  -4.402   6.327   1.102
    5    HG2  GLU  38           HG2      GLU  38  -3.470   7.888  -0.230
    6    HG3  GLU  38           HG3      GLU  38  -4.034   7.118  -1.712

  No H/Q in entry =           6
  In of MODEL   41
    1    H    CYS  39           H        CYS  39  -2.410   3.650  -1.881
    2    HA   CYS  39           HA       CYS  39  -0.089   3.876  -0.350
    3    HB2  CYS  39           HB2      CYS  39  -0.324   2.258  -2.173
    4    HB3  CYS  39           HB3      CYS  39  -0.360   3.566  -3.350

  No H/Q in entry =           4
  In of MODEL   41
    1    HA   PRO  40           HA       PRO  40   1.125   8.134  -0.549
    2    HB2  PRO  40           HB2      PRO  40   3.834   6.933  -0.950
    3    HB3  PRO  40           HB3      PRO  40   3.322   8.205   0.166
    4    HG2  PRO  40           HG2      PRO  40   3.730   5.727   1.041
    5    HG3  PRO  40           HG3      PRO  40   2.383   6.700   1.661
    6    HD2  PRO  40           HD2      PRO  40   2.351   4.413  -0.243
    7    HD3  PRO  40           HD3      PRO  40   1.131   4.913   0.945

  No H/Q in entry =           7
  In of MODEL   41
    1    H    SER  41           H        SER  41   1.618   9.660  -2.087
    2    HA   SER  41           HA       SER  41   1.862   8.666  -4.821
    3    HB2  SER  41           HB2      SER  41   1.535  11.325  -5.141
    4    HB3  SER  41           HB3      SER  41   0.188  10.205  -4.942
    5    HG   SER  41           HG       SER  41   1.381  11.889  -3.012

  No H/Q in entry =           5
  In of MODEL   41
    1    H    TYR  42           H        TYR  42   4.103   8.991  -2.737
    2    HA   TYR  42           HA       TYR  42   5.993  10.188  -4.606
    3    HB2  TYR  42           HB2      TYR  42   7.048  11.568  -2.925
    4    HB3  TYR  42           HB3      TYR  42   5.339  11.980  -3.004
    5    HD1  TYR  42           HD1      TYR  42   8.003  10.595  -0.952
    6    HD2  TYR  42           HD2      TYR  42   3.816  11.312  -1.185
    7    HE1  TYR  42           HE1      TYR  42   7.810  10.213   1.469
    8    HE2  TYR  42           HE2      TYR  42   3.611  10.933   1.236
    9    HH   TYR  42           HH       TYR  42   5.957   9.480   3.076

  No H/Q in entry =           9
  In of MODEL   41
    1    HA   PRO  43           HA       PRO  43   8.360   6.639  -3.445
    2    HB2  PRO  43           HB2      PRO  43  10.848   7.479  -4.135
    3    HB3  PRO  43           HB3      PRO  43   9.627   7.012  -5.325
    4    HG2  PRO  43           HG2      PRO  43  10.413   9.749  -4.391
    5    HG3  PRO  43           HG3      PRO  43  10.104   9.177  -6.042
    6    HD2  PRO  43           HD2      PRO  43   8.265  10.562  -4.631
    7    HD3  PRO  43           HD3      PRO  43   7.811   9.294  -5.787

  No H/Q in entry =           7
  In of MODEL   41
    1    H    GLY  44           H        GLY  44   9.766   5.868  -1.848
    2    HA3  GLY  44           HA2      GLY  44  10.854   5.855   0.173
    3    HA2  GLY  44           HA3      GLY  44  11.376   7.491  -0.197

  No H/Q in entry =           3
  In of MODEL   41
    1    H    ASN  45           H        ASN  45   9.997   5.835   2.140
    2    HA   ASN  45           HA       ASN  45   7.602   7.154   2.760
    3    HB2  ASN  45           HB2      ASN  45   8.909   5.073   3.850
    4    HB3  ASN  45           HB3      ASN  45   9.354   6.322   5.009
    5   HD21  ASN  45          HD21      ASN  45   7.531   3.911   5.061
    6   HD22  ASN  45          HD22      ASN  45   6.050   4.519   5.710

  No H/Q in entry =           6
  In of MODEL   41
    1    H    GLY  46           H        GLY  46  10.961   7.970   3.439
    2    HA3  GLY  46           HA2      GLY  46  11.875  10.037   3.928
    3    HA2  GLY  46           HA3      GLY  46  10.261  10.728   3.844

  No H/Q in entry =           3
  In of MODEL   42
    1    H1   ALA   1           H2       ALA   1 -19.643  -7.866  -1.438
    2    H2   ALA   1           H1       ALA   1 -20.621  -6.495  -1.768
    3    H3   ALA   1           H3       ALA   1 -19.010  -6.286  -1.221
    4    HA   ALA   1           HA       ALA   1 -20.494  -5.861   0.539
    5    HB2  ALA   1           HB1      ALA   1 -21.805  -7.970   1.347
    6    HB3  ALA   1           HB2      ALA   1 -21.668  -8.459  -0.342
    7    HB1  ALA   1           HB3      ALA   1 -22.470  -6.944   0.076

  No H/Q in entry =           7
  In of MODEL   42
    1    H    MET   2           H        MET   2 -18.248  -5.829   1.198
    2    HA   MET   2           HA       MET   2 -17.691  -7.926   3.113
    3    HB2  MET   2           HB2      MET   2 -15.704  -7.291   0.924
    4    HB3  MET   2           HB3      MET   2 -15.429  -8.370   2.284
    5    HG2  MET   2           HG2      MET   2 -17.274  -9.801   1.455
    6    HG3  MET   2           HG3      MET   2 -17.393  -8.758   0.040
    7    HE2  MET   2           HE1      MET   2 -16.534 -12.208  -0.167
    8    HE1  MET   2           HE2      MET   2 -16.291 -11.715   1.509
    9    HE3  MET   2           HE3      MET   2 -14.941 -12.357   0.575

  No H/Q in entry =           9
  In of MODEL   42
    1    H    ASP   3           H        ASP   3 -16.051  -7.344   4.645
    2    HA   ASP   3           HA       ASP   3 -15.768  -4.439   4.888
    3    HB2  ASP   3           HB2      ASP   3 -16.635  -6.215   6.721
    4    HB3  ASP   3           HB3      ASP   3 -14.917  -6.211   7.108

  No H/Q in entry =           4
  In of MODEL   42
    1    H    CYS   4           H        CYS   4 -14.108  -5.913   3.053
    2    HA   CYS   4           HA       CYS   4 -11.495  -6.054   4.323
    3    HB2  CYS   4           HB2      CYS   4 -12.530  -6.723   1.580
    4    HB3  CYS   4           HB3      CYS   4 -10.802  -6.620   1.896

  No H/Q in entry =           4
  In of MODEL   42
    1    H    THR   5           H        THR   5  -9.634  -4.997   3.194
    2    HA   THR   5           HA       THR   5 -10.359  -2.232   2.510
    3    HB   THR   5           HB       THR   5  -7.531  -2.754   3.038
    4    HG1  THR   5           HG1      THR   5  -8.247  -4.255   4.495
    5   HG23  THR   5          HG21      THR   5  -7.586  -0.688   3.834
    6   HG22  THR   5          HG22      THR   5  -8.919  -1.061   4.927
    7   HG21  THR   5          HG23      THR   5  -9.249  -0.608   3.255

  No H/Q in entry =           7
  In of MODEL   42
    1    H    THR   6           H        THR   6 -10.646  -2.261   0.329
    2    HA   THR   6           HA       THR   6  -8.744  -3.614  -1.391
    3    HB   THR   6           HB       THR   6 -10.198  -2.835  -3.226
    4    HG1  THR   6           HG1      THR   6 -11.792  -1.670  -1.196
    5   HG21  THR   6          HG21      THR   6 -10.864  -4.734  -1.371
    6   HG23  THR   6          HG22      THR   6 -11.678  -4.460  -2.911
    7   HG22  THR   6          HG23      THR   6 -12.308  -3.723  -1.438

  No H/Q in entry =           7
  In of MODEL   42
    1    H    GLY   7           H        GLY   7  -7.388  -2.615  -2.891
    2    HA3  GLY   7           HA2      GLY   7  -7.006  -0.222  -3.851
    3    HA2  GLY   7           HA3      GLY   7  -6.653   0.133  -2.167

  No H/Q in entry =           3
  In of MODEL   42
    1    HA   PRO   8           HA       PRO   8  -2.782  -1.369  -4.377
    2    HB2  PRO   8           HB2      PRO   8  -1.322   0.893  -4.208
    3    HB3  PRO   8           HB3      PRO   8  -2.449   0.596  -5.538
    4    HG2  PRO   8           HG2      PRO   8  -2.826   2.251  -3.071
    5    HG3  PRO   8           HG3      PRO   8  -3.275   2.621  -4.746
    6    HD2  PRO   8           HD2      PRO   8  -5.051   1.706  -2.898
    7    HD3  PRO   8           HD3      PRO   8  -5.204   1.377  -4.635

  No H/Q in entry =           7
  In of MODEL   42
    1    H    CYS   9           H        CYS   9  -3.446   0.378  -1.427
    2    HA   CYS   9           HA       CYS   9  -0.967  -0.613  -0.218
    3    HB2  CYS   9           HB2      CYS   9  -2.279   1.831  -0.012
    4    HB3  CYS   9           HB3      CYS   9  -2.642   1.025   1.509

  No H/Q in entry =           4
  In of MODEL   42
    1    H    CYS  10           H        CYS  10  -2.702  -2.621  -0.729
    2    HA   CYS  10           HA       CYS  10  -3.306  -3.564   1.938
    3    HB2  CYS  10           HB2      CYS  10  -5.616  -4.271   0.440
    4    HB3  CYS  10           HB3      CYS  10  -5.522  -3.283   1.891

  No H/Q in entry =           4
  In of MODEL   42
    1    H    ARG  11           H        ARG  11  -2.856  -5.670   2.113
    2    HA   ARG  11           HA       ARG  11  -1.659  -7.096   0.033
    3    HB2  ARG  11           HB2      ARG  11  -1.219  -7.637   2.353
    4    HB3  ARG  11           HB3      ARG  11  -2.896  -8.097   2.603
    5    HG2  ARG  11           HG2      ARG  11  -2.660 -10.090   1.486
    6    HG3  ARG  11           HG3      ARG  11  -1.295  -9.513   0.527
    7    HD2  ARG  11           HD2      ARG  11  -0.252  -9.349   3.011
    8    HD3  ARG  11           HD3      ARG  11  -1.356 -10.707   3.222
    9    HE   ARG  11           HE       ARG  11   0.016 -11.986   1.910
   10   HH11  ARG  11          HH11      ARG  11   0.875  -8.627   1.507
   11   HH12  ARG  11          HH12      ARG  11   2.299  -8.973   0.584
   12   HH21  ARG  11          HH21      ARG  11   1.889 -12.442   0.696
   13   HH22  ARG  11          HH22      ARG  11   2.874 -11.138   0.123

  No H/Q in entry =          13
  In of MODEL   42
    1    H    GLN  12           H        GLN  12  -4.554  -8.374   1.639
    2    HA   GLN  12           HA       GLN  12  -5.869  -8.667  -0.954
    3    HB2  GLN  12           HB2      GLN  12  -4.443 -10.749  -0.064
    4    HB3  GLN  12           HB3      GLN  12  -5.939 -11.055   0.807
    5    HG2  GLN  12           HG2      GLN  12  -5.980 -10.528  -2.134
    6    HG3  GLN  12           HG3      GLN  12  -5.576 -12.127  -1.512
    7   HE21  GLN  12          HE21      GLN  12  -8.029 -10.220  -2.587
    8   HE22  GLN  12          HE22      GLN  12  -9.370 -11.044  -1.873

  No H/Q in entry =           8
  In of MODEL   42
    1    H    CYS  13           H        CYS  13  -6.135  -7.503   2.028
    2    HA   CYS  13           HA       CYS  13  -8.884  -7.145   1.991
    3    HB2  CYS  13           HB2      CYS  13  -9.073  -9.544   2.420
    4    HB3  CYS  13           HB3      CYS  13  -8.037  -9.391   3.833

  No H/Q in entry =           4
  In of MODEL   42
    1    H    LYS  14           H        LYS  14  -5.938  -7.366   3.869
    2    HA   LYS  14           HA       LYS  14  -6.975  -5.265   5.655
    3    HB2  LYS  14           HB2      LYS  14  -4.697  -7.170   6.212
    4    HB3  LYS  14           HB3      LYS  14  -5.410  -6.022   7.336
    5    HG2  LYS  14           HG2      LYS  14  -7.279  -7.304   7.679
    6    HG3  LYS  14           HG3      LYS  14  -7.147  -8.109   6.114
    7    HD2  LYS  14           HD2      LYS  14  -4.858  -8.937   7.285
    8    HD3  LYS  14           HD3      LYS  14  -5.898  -8.770   8.701
    9    HE2  LYS  14           HE2      LYS  14  -6.302 -10.952   8.064
   10    HE3  LYS  14           HE3      LYS  14  -7.618 -10.088   7.270
   11    HZ3  LYS  14           HZ1      LYS  14  -6.766 -10.479   5.232
   12    HZ2  LYS  14           HZ2      LYS  14  -6.054 -11.804   6.007
   13    HZ1  LYS  14           HZ3      LYS  14  -5.155 -10.395   5.746

  No H/Q in entry =          13
  In of MODEL   42
    1    H    LEU  15           H        LEU  15  -5.468  -3.618   6.330
    2    HA   LEU  15           HA       LEU  15  -4.089  -2.427   4.215
    3    HB2  LEU  15           HB2      LEU  15  -3.560  -1.951   7.146
    4    HB3  LEU  15           HB3      LEU  15  -3.266  -0.838   5.823
    5    HG   LEU  15           HG       LEU  15  -6.065  -1.736   6.165
    6   HD12  LEU  15          HD11      LEU  15  -6.092   0.331   7.880
    7   HD11  LEU  15          HD12      LEU  15  -4.531  -0.383   8.288
    8   HD13  LEU  15          HD13      LEU  15  -5.999  -1.356   8.387
    9   HD23  LEU  15          HD21      LEU  15  -6.306   0.813   5.836
   10   HD22  LEU  15          HD22      LEU  15  -5.774  -0.174   4.475
   11   HD21  LEU  15          HD23      LEU  15  -4.597   0.757   5.401

  No H/Q in entry =          11
  In of MODEL   42
    1    H    LYS  16           H        LYS  16  -2.107  -2.694   3.394
    2    HA   LYS  16           HA       LYS  16  -0.473  -4.837   4.012
    3    HB2  LYS  16           HB2      LYS  16  -0.187  -2.356   2.436
    4    HB3  LYS  16           HB3      LYS  16   1.324  -3.098   2.943
    5    HG2  LYS  16           HG2      LYS  16   0.818  -5.115   1.809
    6    HG3  LYS  16           HG3      LYS  16  -0.849  -4.612   1.523
    7    HD2  LYS  16           HD2      LYS  16   0.195  -2.644   0.229
    8    HD3  LYS  16           HD3      LYS  16   1.669  -3.615   0.234
    9    HE2  LYS  16           HE2      LYS  16  -0.107  -5.463  -0.587
   10    HE3  LYS  16           HE3      LYS  16  -0.864  -4.007  -1.232
   11    HZ3  LYS  16           HZ1      LYS  16   0.996  -3.538  -2.539
   12    HZ2  LYS  16           HZ2      LYS  16   0.790  -5.208  -2.708
   13    HZ1  LYS  16           HZ3      LYS  16   1.996  -4.604  -1.688

  No H/Q in entry =          13
  In of MODEL   42
    1    HA   PRO  17           HA       PRO  17   1.643  -3.843   7.753
    2    HB2  PRO  17           HB2      PRO  17   4.126  -4.907   7.166
    3    HB3  PRO  17           HB3      PRO  17   2.743  -5.837   7.749
    4    HG2  PRO  17           HG2      PRO  17   3.751  -5.486   4.957
    5    HG3  PRO  17           HG3      PRO  17   3.119  -6.942   5.748
    6    HD2  PRO  17           HD2      PRO  17   1.624  -5.518   4.037
    7    HD3  PRO  17           HD3      PRO  17   0.911  -6.284   5.473

  No H/Q in entry =           7
  In of MODEL   42
    1    H    ALA  18           H        ALA  18   2.301  -1.868   8.286
    2    HA   ALA  18           HA       ALA  18   3.283   0.097   6.672
    3    HB3  ALA  18           HB1      ALA  18   2.626   0.008   9.257
    4    HB2  ALA  18           HB2      ALA  18   3.531   1.346   8.548
    5    HB1  ALA  18           HB3      ALA  18   4.381   0.070   9.420

  No H/Q in entry =           5
  In of MODEL   42
    1    H    GLY  19           H        GLY  19   5.280   0.878   6.047
    2    HA3  GLY  19           HA2      GLY  19   7.563   0.885   5.676
    3    HA2  GLY  19           HA3      GLY  19   7.732  -0.323   6.941

  No H/Q in entry =           3
  In of MODEL   42
    1    H    THR  20           H        THR  20   5.536  -0.843   4.305
    2    HA   THR  20           HA       THR  20   7.457  -2.667   3.029
    3    HB   THR  20           HB       THR  20   4.563  -3.269   3.676
    4    HG1  THR  20           HG1      THR  20   7.001  -4.334   4.646
    5   HG22  THR  20          HG21      THR  20   6.200  -5.489   2.783
    6   HG21  THR  20          HG22      THR  20   5.959  -4.267   1.534
    7   HG23  THR  20          HG23      THR  20   4.566  -5.019   2.313

  No H/Q in entry =           7
  In of MODEL   42
    1    H    THR  21           H        THR  21   7.447  -2.663   0.836
    2    HA   THR  21           HA       THR  21   6.303  -0.523  -0.550
    3    HB   THR  21           HB       THR  21   6.796  -2.686  -2.363
    4    HG1  THR  21           HG1      THR  21   8.883  -2.287  -0.492
    5   HG22  THR  21          HG21      THR  21   9.041  -1.041  -2.311
    6   HG21  THR  21          HG22      THR  21   7.678   0.005  -1.911
    7   HG23  THR  21          HG23      THR  21   7.658  -0.939  -3.401

  No H/Q in entry =           7
  In of MODEL   42
    1    H    CYS  22           H        CYS  22   4.328  -0.172  -1.303
    2    HA   CYS  22           HA       CYS  22   2.452  -2.426  -1.388
    3    HB2  CYS  22           HB2      CYS  22   0.676  -0.789  -1.191
    4    HB3  CYS  22           HB3      CYS  22   1.857  -0.535   0.088

  No H/Q in entry =           4
  In of MODEL   42
    1    H    TRP  23           H        TRP  23   3.594   0.346  -3.264
    2    HA   TRP  23           HA       TRP  23   2.042  -0.549  -5.561
    3    HB2  TRP  23           HB2      TRP  23   2.589   1.958  -4.667
    4    HB3  TRP  23           HB3      TRP  23   3.843   1.764  -5.887
    5    HD1  TRP  23           HD1      TRP  23   1.245  -0.214  -7.285
    6    HE1  TRP  23           HE1      TRP  23  -0.252   1.107  -8.910
    7    HE3  TRP  23           HE3      TRP  23   2.574   4.518  -5.928
    8    HZ2  TRP  23           HZ2      TRP  23  -0.793   3.805  -9.529
    9    HZ3  TRP  23           HZ3      TRP  23   1.527   6.421  -7.085
   10    HH2  TRP  23           HH2      TRP  23  -0.121   6.068  -8.852

  No H/Q in entry =          10
  In of MODEL   42
    1    H    LYS  24           H        LYS  24   5.350   0.701  -5.306
    2    HA   LYS  24           HA       LYS  24   7.314   0.030  -6.237
    3    HB2  LYS  24           HB2      LYS  24   6.835  -2.020  -4.957
    4    HB3  LYS  24           HB3      LYS  24   5.977  -2.671  -6.345
    5    HG2  LYS  24           HG2      LYS  24   7.877  -3.517  -7.098
    6    HG3  LYS  24           HG3      LYS  24   8.523  -1.883  -7.260
    7    HD2  LYS  24           HD2      LYS  24   9.766  -2.050  -5.380
    8    HD3  LYS  24           HD3      LYS  24   8.540  -2.992  -4.530
    9    HE2  LYS  24           HE2      LYS  24   9.864  -4.346  -6.789
   10    HE3  LYS  24           HE3      LYS  24  10.890  -3.999  -5.397
   11    HZ3  LYS  24           HZ1      LYS  24   9.487  -5.248  -3.993
   12    HZ2  LYS  24           HZ2      LYS  24   9.726  -6.202  -5.369
   13    HZ1  LYS  24           HZ3      LYS  24   8.270  -5.366  -5.164

  No H/Q in entry =          13
  In of MODEL   42
    1    H    THR  25           H        THR  25   5.141   1.017  -7.908
    2    HA   THR  25           HA       THR  25   4.965  -0.420 -10.329
    3    HB   THR  25           HB       THR  25   4.780   2.576 -10.210
    4    HG1  THR  25           HG1      THR  25   3.292   2.453  -8.764
    5   HG23  THR  25          HG21      THR  25   4.199   1.907 -12.331
    6   HG22  THR  25          HG22      THR  25   2.635   1.955 -11.517
    7   HG21  THR  25          HG23      THR  25   3.451   0.412 -11.770

  No H/Q in entry =           7
  In of MODEL   42
    1    H    SER  26           H        SER  26   5.754   0.656 -12.456
    2    HA   SER  26           HA       SER  26   8.645   0.809 -12.266
    3    HB2  SER  26           HB2      SER  26   7.244   1.099 -14.881
    4    HB3  SER  26           HB3      SER  26   8.703   0.193 -14.480
    5    HG   SER  26           HG       SER  26   7.457  -1.482 -14.378

  No H/Q in entry =           5
  In of MODEL   42
    1    H    VAL  27           H        VAL  27   7.588   3.011 -11.083
    2    HA   VAL  27           HA       VAL  27   8.913   5.140 -12.229
    3    HB   VAL  27           HB       VAL  27   7.272   5.072 -14.047
    4   HG11  VAL  27          HG11      VAL  27   5.225   5.500 -11.874
    5   HG13  VAL  27          HG12      VAL  27   5.410   4.057 -12.871
    6   HG12  VAL  27          HG13      VAL  27   4.906   5.578 -13.607
    7   HG22  VAL  27          HG21      VAL  27   6.565   7.394 -13.983
    8   HG21  VAL  27          HG22      VAL  27   8.198   7.235 -13.336
    9   HG23  VAL  27          HG23      VAL  27   6.833   7.448 -12.240

  No H/Q in entry =           9
  In of MODEL   42
    1    H    SER  28           H        SER  28   6.114   4.109 -10.386
    2    HA   SER  28           HA       SER  28   6.209   6.451  -8.674
    3    HB2  SER  28           HB2      SER  28   4.215   4.579  -9.423
    4    HB3  SER  28           HB3      SER  28   4.436   4.428  -7.681
    5    HG   SER  28           HG       SER  28   3.984   6.862  -9.071

  No H/Q in entry =           5
  In of MODEL   42
    1    H    SER  29           H        SER  29   5.862   3.048  -7.772
    2    HA   SER  29           HA       SER  29   6.793   1.799  -6.125
    3    HB2  SER  29           HB2      SER  29   9.151   3.598  -6.717
    4    HB3  SER  29           HB3      SER  29   9.235   2.197  -5.650
    5    HG   SER  29           HG       SER  29   9.121   2.323  -8.399

  No H/Q in entry =           5
  In of MODEL   42
    1    H    HIS  30           H        HIS  30   5.553   2.252  -4.387
    2    HA   HIS  30           HA       HIS  30   6.585   4.275  -2.521
    3    HB2  HIS  30           HB2      HIS  30   3.661   3.687  -3.030
    4    HB3  HIS  30           HB3      HIS  30   4.313   4.904  -1.931
    5    HD1  HIS  30           HD1      HIS  30   3.937   7.133  -2.931
    6    HD2  HIS  30           HD2      HIS  30   4.988   4.309  -5.791
    7    HE1  HIS  30           HE1      HIS  30   4.083   8.398  -5.099
    8    HE2  HIS  30           HE2      HIS  30   4.894   6.706  -6.773

  No H/Q in entry =           8
  In of MODEL   42
    1    H    TYR  31           H        TYR  31   5.637   3.932  -0.274
    2    HA   TYR  31           HA       TYR  31   5.513   1.045   0.305
    3    HB2  TYR  31           HB2      TYR  31   7.020   3.263   1.610
    4    HB3  TYR  31           HB3      TYR  31   6.405   1.970   2.635
    5    HD1  TYR  31           HD1      TYR  31   8.050   0.460   3.186
    6    HD2  TYR  31           HD2      TYR  31   8.018   2.094  -0.741
    7    HE1  TYR  31           HE1      TYR  31   9.989  -0.934   2.597
    8    HE2  TYR  31           HE2      TYR  31   9.956   0.705  -1.342
    9    HH   TYR  31           HH       TYR  31  11.036  -1.872   0.577

  No H/Q in entry =           9
  In of MODEL   42
    1    H    CYS  32           H        CYS  32   4.309   0.459   2.258
    2    HA   CYS  32           HA       CYS  32   1.953   2.170   2.548
    3    HB2  CYS  32           HB2      CYS  32   2.075  -0.476   2.052
    4    HB3  CYS  32           HB3      CYS  32   2.017  -0.512   3.811

  No H/Q in entry =           4
  In of MODEL   42
    1    H    THR  33           H        THR  33   1.103   2.706   4.576
    2    HA   THR  33           HA       THR  33   3.082   2.648   6.753
    3    HB   THR  33           HB       THR  33   2.200   4.697   7.550
    4    HG1  THR  33           HG1      THR  33   0.285   5.578   6.753
    5   HG23  THR  33          HG21      THR  33   2.372   6.245   5.745
    6   HG22  THR  33          HG22      THR  33   2.034   4.981   4.562
    7   HG21  THR  33          HG23      THR  33   3.540   4.951   5.479

  No H/Q in entry =           7
  In of MODEL   42
    1    H    GLY  34           H        GLY  34   0.849   0.702   5.917
    2    HA3  GLY  34           HA2      GLY  34  -0.793  -0.562   6.923
    3    HA2  GLY  34           HA3      GLY  34   0.214  -0.377   8.350

  No H/Q in entry =           3
  In of MODEL   42
    1    H    ARG  35           H        ARG  35  -1.830   1.915   6.533
    2    HA   ARG  35           HA       ARG  35  -3.490   2.236   8.923
    3    HB2  ARG  35           HB2      ARG  35  -1.546   4.021   8.485
    4    HB3  ARG  35           HB3      ARG  35  -2.788   4.717   7.454
    5    HG2  ARG  35           HG2      ARG  35  -4.108   5.308   9.202
    6    HG3  ARG  35           HG3      ARG  35  -3.579   3.956  10.204
    7    HD2  ARG  35           HD2      ARG  35  -1.795   5.090  11.032
    8    HD3  ARG  35           HD3      ARG  35  -1.545   5.999   9.542
    9    HE   ARG  35           HE       ARG  35  -3.929   6.748  10.957
   10   HH11  ARG  35          HH11      ARG  35  -0.490   7.270  10.682
   11   HH12  ARG  35          HH12      ARG  35  -0.549   8.858  11.370
   12   HH21  ARG  35          HH21      ARG  35  -4.010   8.836  11.862
   13   HH22  ARG  35          HH22      ARG  35  -2.548   9.747  12.041

  No H/Q in entry =          13
  In of MODEL   42
    1    H    SER  36           H        SER  36  -3.067   3.093   5.512
    2    HA   SER  36           HA       SER  36  -5.930   2.626   5.110
    3    HB2  SER  36           HB2      SER  36  -5.069   5.175   5.320
    4    HB3  SER  36           HB3      SER  36  -4.801   4.911   3.597
    5    HG   SER  36           HG       SER  36  -7.017   4.205   3.497

  No H/Q in entry =           5
  In of MODEL   42
    1    H    CYS  37           H        CYS  37  -6.502   2.388   2.800
    2    HA   CYS  37           HA       CYS  37  -4.571   0.717   1.483
    3    HB2  CYS  37           HB2      CYS  37  -7.431   1.414   1.094
    4    HB3  CYS  37           HB3      CYS  37  -6.543   0.866  -0.324

  No H/Q in entry =           4
  In of MODEL   42
    1    H    GLU  38           H        GLU  38  -5.074   4.018   1.514
    2    HA   GLU  38           HA       GLU  38  -4.458   4.501  -1.272
    3    HB2  GLU  38           HB2      GLU  38  -4.563   6.460   1.028
    4    HB3  GLU  38           HB3      GLU  38  -4.546   6.858  -0.685
    5    HG2  GLU  38           HG2      GLU  38  -6.769   7.076  -0.195
    6    HG3  GLU  38           HG3      GLU  38  -6.706   5.407  -0.760

  No H/Q in entry =           6
  In of MODEL   42
    1    H    CYS  39           H        CYS  39  -2.442   3.885  -1.833
    2    HA   CYS  39           HA       CYS  39  -0.180   3.966  -0.170
    3    HB2  CYS  39           HB2      CYS  39  -0.510   3.819  -3.163
    4    HB3  CYS  39           HB3      CYS  39   1.080   3.841  -2.407

  No H/Q in entry =           4
  In of MODEL   42
    1    HA   PRO  40           HA       PRO  40   1.055   8.194   0.055
    2    HB2  PRO  40           HB2      PRO  40   3.782   7.167  -0.580
    3    HB3  PRO  40           HB3      PRO  40   3.251   8.202   0.750
    4    HG2  PRO  40           HG2      PRO  40   3.797   5.632   1.170
    5    HG3  PRO  40           HG3      PRO  40   2.432   6.418   1.987
    6    HD2  PRO  40           HD2      PRO  40   2.429   4.527  -0.321
    7    HD3  PRO  40           HD3      PRO  40   1.262   4.692   1.007

  No H/Q in entry =           7
  In of MODEL   42
    1    H    SER  41           H        SER  41   2.300   9.860  -1.205
    2    HA   SER  41           HA       SER  41   2.086   9.281  -4.085
    3    HB2  SER  41           HB2      SER  41   1.947  12.003  -2.776
    4    HB3  SER  41           HB3      SER  41   1.549  11.594  -4.445
    5    HG   SER  41           HG       SER  41  -0.239  10.478  -3.727

  No H/Q in entry =           5
  In of MODEL   42
    1    H    TYR  42           H        TYR  42   4.423   8.906  -2.231
    2    HA   TYR  42           HA       TYR  42   6.377  10.187  -3.955
    3    HB2  TYR  42           HB2      TYR  42   7.658  11.167  -2.152
    4    HB3  TYR  42           HB3      TYR  42   6.014  11.792  -2.086
    5    HD1  TYR  42           HD1      TYR  42   4.697  11.524  -0.148
    6    HD2  TYR  42           HD2      TYR  42   8.328   9.342  -0.540
    7    HE1  TYR  42           HE1      TYR  42   4.525  10.827   2.204
    8    HE2  TYR  42           HE2      TYR  42   8.166   8.638   1.810
    9    HH   TYR  42           HH       TYR  42   6.696   9.935   4.023

  No H/Q in entry =           9
  In of MODEL   42
    1    HA   PRO  43           HA       PRO  43   8.346   6.273  -3.377
    2    HB2  PRO  43           HB2      PRO  43  10.865   6.871  -4.154
    3    HB3  PRO  43           HB3      PRO  43   9.520   6.767  -5.297
    4    HG2  PRO  43           HG2      PRO  43  10.762   9.190  -4.049
    5    HG3  PRO  43           HG3      PRO  43  10.267   8.928  -5.732
    6    HD2  PRO  43           HD2      PRO  43   8.754  10.311  -3.952
    7    HD3  PRO  43           HD3      PRO  43   8.052   9.366  -5.280

  No H/Q in entry =           7
  In of MODEL   42
    1    H    GLY  44           H        GLY  44   8.498   5.672  -1.276
    2    HA3  GLY  44           HA2      GLY  44   9.799   7.079   0.766
    3    HA2  GLY  44           HA3      GLY  44   9.397   5.369   0.813

  No H/Q in entry =           3
  In of MODEL   42
    1    H    ASN  45           H        ASN  45  11.048   4.839  -1.596
    2    HA   ASN  45           HA       ASN  45  13.426   4.095  -0.318
    3    HB2  ASN  45           HB2      ASN  45  12.269   3.416  -2.657
    4    HB3  ASN  45           HB3      ASN  45  13.524   4.498  -3.253
    5   HD21  ASN  45          HD21      ASN  45  12.808   1.439  -1.889
    6   HD22  ASN  45          HD22      ASN  45  14.413   0.800  -1.917

  No H/Q in entry =           6
  In of MODEL   42
    1    H    GLY  46           H        GLY  46  12.536   7.000  -2.045
    2    HA3  GLY  46           HA2      GLY  46  14.871   8.353  -1.024
    3    HA2  GLY  46           HA3      GLY  46  14.883   8.151  -2.769

  No H/Q in entry =           3