*HEADER    ANTIMICROBIAL PROTEIN                   18-APR-12   2LS1              
*TITLE     STRUCTURE OF SVICEUCIN, AN ANTIBACTERIAL TYPE I LASSO PEPTIDE FROM    
*TITLE    2 STREPTOMYCES SVICEUS                                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: UNCHARACTERIZED PROTEIN;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 37-56;                                        
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOMYCES SVICEUS;                           
*SOURCE   3 ORGANISM_TAXID: 463191;                                              
*SOURCE   4 ATCC: 29083;                                                         
*SOURCE   5 GENE: SSEG_05172;                                                    
*SOURCE   6 EXPRESSION_SYSTEM: STREPTOMYCES COELICOLOR;                          
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 1902;                                       
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: M1154;                                     
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: COSMID;                               
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PWED4                                      
*KEYWDS    MACROLACTAM RING, ANTIMICROBIAL PEPTIDE, ANTIMICROBIAL PROTEIN        
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Y.LI, R.DUCASSE, A.BLOND, S.ZIRAH, C.GOULARD, E.LESCOP, E.GUITTET,    
*AUTHOR   2 J.PERNODET, S.REBUFFAT                                               
*REVDAT   1   15-AUG-12 2LS1    0                                                


assign (resid   1 and  name   HB1) (resid   1 and  name   HB2) 1.8 0.0 0.5
assign (resid   1 and  name   HB*) (resid   1 and  name    HN) 2.8 0.8 0.8
assign (resid   1 and  name    HN) (resid   2 and  name    HN) 2.7 0.8 0.8
assign (resid   1 and  name   HB*) (resid   2 and  name    HN) 3.8 1.1 1.1
assign (resid   1 and  name   HB*) (resid   2 and  name   HG*) 4.0 1.2 1.2
assign (resid   9 and  name   HB1) (resid   1 and  name    HN) 2.7 0.8 0.8
assign (resid   9 and  name   HB2) (resid   1 and  name    HN) 2.7 0.8 0.8
assign (resid   1 and  name   HB*) (resid  10 and  name   HD*) 3.9 1.2 1.2
assign (resid   1 and  name    HA) (resid  14 and  name    HN) 2.9 0.9 0.9
assign (resid   1 and  name   HB*) (resid  14 and  name    HN) 4.1 1.2 1.2
assign (resid   2 and  name    HB) (resid   2 and  name    HN) 3.4 1.0 1.0
assign (resid   2 and  name   HG*) (resid   2 and  name    HN) 2.5 0.7 0.8
assign (resid   2 and  name    HA) (resid   2 and  name   HG*) 2.6 0.8 0.8
assign (resid   2 and  name    HA) (resid   2 and  name    HB) 2.4 0.6 0.7
assign (resid   2 and  name  HG1*) (resid   2 and  name  HG2*) 2.4 0.6 0.7
assign (resid   2 and  name    HB) (resid   2 and  name   HG*) 2.2 0.4 0.4
assign (resid   2 and  name    HB) (resid   3 and  name    HN) 2.1 0.3 0.6
assign (resid   2 and  name   HG*) (resid   3 and  name    HN) 3.0 0.9 0.9
assign (resid   2 and  name   HG*) (resid   5 and  name    HN) 4.0 1.2 1.2
assign (resid   9 and  name   HB*) (resid   2 and  name    HN) 3.3 1.0 1.0
assign (resid   2 and  name   HG*) (resid  15 and  name    HB) 3.4 1.0 1.0
assign (resid  16 and  name    HA) (resid   2 and  name    HN) 3.7 1.1 1.1
assign (resid   2 and  name   HG*) (resid  16 and  name    HA) 2.8 0.8 0.8
assign (resid   2 and  name   HG*) (resid  16 and  name    HN) 4.4 1.3 1.3
assign (resid   2 and  name   HG*) (resid  16 and  name   HB*) 3.7 1.1 1.1
assign (resid   2 and  name    HB) (resid  17 and  name   HE1) 3.7 1.1 1.1
assign (resid   2 and  name    HB) (resid  17 and  name   HZ2) 3.6 1.1 1.1
assign (resid   2 and  name   HG*) (resid  17 and  name   HD1) 3.0 0.9 0.9
assign (resid   2 and  name   HG*) (resid  17 and  name    HN) 3.6 1.1 1.1
assign (resid   2 and  name   HG*) (resid  17 and  name   HE1) 3.0 0.9 0.9
assign (resid   3 and  name   HB2) (resid   3 and  name    HN) 2.6 0.8 0.8
assign (resid   3 and  name   HB1) (resid   3 and  name    HN) 2.6 0.8 0.8
assign (resid   3 and  name    HN) (resid   3 and  name   HD1) 4.1 1.2 1.2
assign (resid   3 and  name   HB*) (resid   3 and  name   HE3) 3.0 0.9 0.9
assign (resid   3 and  name   HB*) (resid   3 and  name   HD1) 3.2 1.0 1.0
assign (resid   3 and  name   HD1) (resid   3 and  name   HE1) 2.6 0.8 0.8
assign (resid   3 and  name   HB*) (resid   4 and  name    HN) 3.5 1.1 1.1
assign (resid   3 and  name   HD1) (resid   4 and  name    HN) 3.9 1.2 1.2
assign (resid   4 and  name   HA*) (resid   3 and  name   HD1) 3.6 1.1 1.1
assign (resid   3 and  name    HN) (resid  17 and  name   HE1) 3.8 1.1 1.1
assign (resid   3 and  name    HN) (resid  17 and  name   HZ2) 3.8 1.1 1.1
assign (resid   4 and  name   HA*) (resid   4 and  name    HN) 2.3 0.5 0.7
assign (resid   4 and  name   HA1) (resid   4 and  name   HA2) 1.8 0.0 0.5
assign (resid   4 and  name    HN) (resid   5 and  name    HN) 2.7 0.8 0.8
assign (resid   4 and  name   HA*) (resid   5 and  name    HN) 3.2 1.0 1.0
assign (resid  15 and  name  HG2*) (resid   4 and  name    HN) 3.5 1.1 1.1
assign (resid   4 and  name   HA*) (resid  17 and  name   HE1) 3.1 0.9 0.9
assign (resid   5 and  name   HA1) (resid   5 and  name   HA2) 1.8 0.0 0.5
assign (resid   5 and  name   HA*) (resid   5 and  name    HN) 2.4 0.6 0.7
assign (resid   5 and  name   HA*) (resid   6 and  name    HN) 2.5 0.7 0.8
assign (resid   5 and  name   HA*) (resid   7 and  name    HN) 3.3 1.0 1.0
assign (resid  15 and  name    HB) (resid   5 and  name    HN) 2.3 0.5 0.7
assign (resid  15 and  name  HG2*) (resid   5 and  name    HN) 3.1 0.9 0.9
assign (resid   5 and  name    HN) (resid  17 and  name   HD1) 3.4 1.0 1.0
assign (resid   5 and  name    HN) (resid  17 and  name   HE1) 3.6 1.1 1.1
assign (resid   5 and  name   HA*) (resid  17 and  name    HA) 3.3 1.0 1.0
assign (resid   5 and  name   HA*) (resid  17 and  name   HD1) 2.8 0.8 0.8
assign (resid   5 and  name   HA*) (resid  17 and  name   HE1) 4.0 1.2 1.2
assign (resid   6 and  name   HB*) (resid   6 and  name    HN) 2.7 0.8 0.8
assign (resid   6 and  name    HN) (resid   7 and  name    HN) 2.4 0.6 0.7
assign (resid   6 and  name   HB*) (resid   7 and  name    HN) 3.8 1.1 1.1
assign (resid   7 and  name    HA) (resid   7 and  name    HN) 2.7 0.8 0.8
assign (resid   7 and  name   HB1) (resid   7 and  name    HN) 3.1 0.9 0.9
assign (resid   7 and  name   HB2) (resid   7 and  name    HN) 3.1 0.9 0.9
assign (resid   7 and  name    HA) (resid   8 and  name    HN) 2.6 0.8 0.8
assign (resid   7 and  name   HB*) (resid   8 and  name    HN) 2.7 0.8 0.8
assign (resid  15 and  name    HA) (resid   7 and  name    HN) 3.9 1.2 1.2
assign (resid  15 and  name    HB) (resid   7 and  name    HN) 2.8 0.8 0.8
assign (resid  15 and  name  HG2*) (resid   7 and  name    HN) 3.7 1.1 1.1
assign (resid  16 and  name   HB*) (resid   7 and  name   HB*) 4.2 1.3 1.3
assign (resid   8 and  name    HA) (resid   8 and  name    HN) 3.1 0.9 0.9
assign (resid   8 and  name    HB) (resid   8 and  name    HN) 2.7 0.8 0.8
assign (resid   8 and  name  HG2*) (resid   8 and  name    HN) 3.5 1.1 1.1
assign (resid   8 and  name    HB) (resid   8 and  name    HA) 2.6 0.8 0.8
assign (resid   8 and  name    HB) (resid   8 and  name  HG2*) 2.5 0.7 0.8
assign (resid   8 and  name    HA) (resid   8 and  name  HG2*) 3.0 0.9 0.9
assign (resid   8 and  name    HB) (resid   9 and  name    HN) 3.3 1.0 1.0
assign (resid   8 and  name  HG2*) (resid   9 and  name    HN) 3.0 0.9 0.9
assign (resid   8 and  name  HG2*) (resid  10 and  name    HN) 3.1 0.9 0.9
assign (resid   8 and  name  HG2*) (resid  10 and  name    HA) 3.6 1.1 1.1
assign (resid   8 and  name  HG2*) (resid  11 and  name    HA) 3.0 0.9 0.9
assign (resid   8 and  name  HG2*) (resid  14 and  name    HN) 3.8 1.1 1.1
assign (resid   8 and  name    HA) (resid  15 and  name    HA) 2.2 0.4 0.4
assign (resid   8 and  name    HA) (resid  15 and  name    HB) 3.9 1.2 1.2
assign (resid   8 and  name    HA) (resid  15 and  name  HG2*) 3.1 0.9 0.9
assign (resid   8 and  name    HA) (resid  16 and  name    HN) 3.3 1.0 1.0
assign (resid   9 and  name   HB*) (resid   9 and  name    HN) 3.1 0.9 0.9
assign (resid   9 and  name   HB*) (resid   9 and  name    HA) 2.5 0.7 0.8
assign (resid   9 and  name    HA) (resid  10 and  name    HN) 2.9 0.9 0.9
assign (resid   9 and  name    HN) (resid  10 and  name    HN) 2.4 0.6 0.7
assign (resid   9 and  name    HN) (resid  15 and  name    HN) 3.6 1.1 1.1
assign (resid  15 and  name    HA) (resid   9 and  name    HN) 2.5 0.7 0.8
assign (resid  15 and  name  HG2*) (resid   9 and  name    HN) 4.2 1.3 1.3
assign (resid   9 and  name    HA) (resid  16 and  name   HB*) 2.6 0.8 0.8
assign (resid   9 and  name   HB*) (resid  16 and  name    HA) 3.6 1.1 1.1
assign (resid   9 and  name   HB*) (resid  16 and  name   HB*) 2.8 0.8 0.8
assign (resid  10 and  name   HB*) (resid  10 and  name    HN) 2.9 0.9 0.9
assign (resid  10 and  name   HB*) (resid  10 and  name    HA) 2.9 0.9 0.9
assign (resid  10 and  name    HA) (resid  10 and  name   HD*) 3.4 1.0 1.0
assign (resid  10 and  name    HA) (resid  11 and  name    HN) 2.8 0.8 0.8
assign (resid  10 and  name    HN) (resid  13 and  name   HB*) 2.9 0.9 0.9
assign (resid  10 and  name   HB*) (resid  13 and  name   HB*) 2.9 0.9 0.9
assign (resid  10 and  name    HN) (resid  14 and  name    HN) 3.2 1.0 1.0
assign (resid  10 and  name   HB1) (resid  14 and  name    HN) 4.1 1.2 1.2
assign (resid  10 and  name   HB2) (resid  14 and  name    HN) 4.1 1.2 1.2
assign (resid  11 and  name    HA) (resid  11 and  name    HG) 2.6 0.8 0.8
assign (resid  11 and  name    HA) (resid  12 and  name    HN) 2.2 0.4 0.4
assign (resid  12 and  name   HA*) (resid  12 and  name    HN) 2.5 0.7 0.8
assign (resid  12 and  name   HA1) (resid  12 and  name   HA2) 1.8 0.0 0.5
assign (resid  13 and  name   HB1) (resid  13 and  name   HB2) 2.0 0.2 0.6
assign (resid  13 and  name   HB*) (resid  14 and  name    HN) 2.4 0.6 0.7
assign (resid  14 and  name   HA*) (resid  14 and  name    HN) 2.4 0.6 0.7
assign (resid  14 and  name    HN) (resid  15 and  name    HN) 3.7 1.1 1.1
assign (resid  14 and  name   HA*) (resid  15 and  name    HN) 2.1 0.3 0.6
assign (resid  14 and  name   HA*) (resid  15 and  name    HA) 3.7 1.1 1.1
assign (resid  15 and  name  HG2*) (resid  14 and  name    HN) 4.3 1.3 1.3
assign (resid  14 and  name   HA*) (resid  15 and  name  HG2*) 2.9 0.9 0.9
assign (resid  15 and  name  HG2*) (resid  15 and  name    HN) 2.9 0.9 0.9
assign (resid  15 and  name    HA) (resid  15 and  name    HB) 2.3 0.5 0.7
assign (resid  15 and  name  HG2*) (resid  15 and  name    HB) 2.1 0.3 0.6
assign (resid  15 and  name    HA) (resid  15 and  name  HG2*) 2.5 0.7 0.8
assign (resid  15 and  name    HN) (resid  16 and  name    HN) 3.6 1.1 1.1
assign (resid  15 and  name    HA) (resid  16 and  name    HN) 2.4 0.6 0.7
assign (resid  15 and  name    HA) (resid  16 and  name   HB*) 3.7 1.1 1.1
assign (resid  15 and  name    HB) (resid  16 and  name    HN) 2.1 0.3 0.6
assign (resid  15 and  name  HG2*) (resid  16 and  name    HN) 3.4 1.0 1.0
assign (resid  16 and  name   HB*) (resid  16 and  name    HN) 2.7 0.8 0.8
assign (resid  16 and  name    HA) (resid  16 and  name   HB*) 2.3 0.5 0.7
assign (resid  16 and  name    HA) (resid  17 and  name   HD1) 3.6 1.1 1.1
assign (resid  16 and  name    HA) (resid  17 and  name    HN) 2.4 0.6 0.7
assign (resid  16 and  name   HB*) (resid  17 and  name   HD1) 4.5 1.4 1.4
assign (resid  16 and  name   HB*) (resid  18 and  name    HN) 4.0 1.2 1.2
assign (resid  16 and  name   HB*) (resid  19 and  name    HN) 4.2 1.3 1.3
assign (resid  19 and  name    HA) (resid  16 and  name   HB*) 3.8 1.1 1.1
assign (resid  17 and  name   HB*) (resid  17 and  name    HN) 2.6 0.8 0.8
assign (resid  17 and  name    HN) (resid  17 and  name   HD1) 3.3 1.0 1.0
assign (resid  17 and  name    HA) (resid  17 and  name   HD1) 2.6 0.8 0.8
assign (resid  17 and  name   HB1) (resid  17 and  name   HB2) 1.9 0.1 0.6
assign (resid  17 and  name   HB2) (resid  17 and  name   HD1) 3.4 1.0 1.0
assign (resid  17 and  name   HB1) (resid  17 and  name   HD1) 3.4 1.0 1.0
assign (resid  17 and  name   HB*) (resid  17 and  name   HE3) 3.3 1.0 1.0
assign (resid  17 and  name   HD1) (resid  17 and  name   HE1) 2.5 0.7 0.8
assign (resid  17 and  name    HN) (resid  18 and  name    HN) 2.7 0.8 0.8
assign (resid  18 and  name    HA) (resid  18 and  name  HG1*) 3.2 1.0 1.0
assign (resid  18 and  name    HB) (resid  18 and  name  HG1*) 2.9 0.9 0.9
assign (resid  18 and  name    HA) (resid  19 and  name    HN) 2.3 0.5 0.7
assign (resid  18 and  name    HB) (resid  19 and  name    HN) 3.5 1.1 1.1
assign (resid  18 and  name  HG2*) (resid  19 and  name    HN) 3.1 0.9 0.9
assign (resid  19 and  name    HA) (resid  19 and  name    HN) 2.8 0.8 0.8
assign (resid  19 and  name   HB*) (resid  19 and  name    HN) 2.7 0.8 0.8
assign (resid  19 and  name   HB*) (resid  19 and  name    HA) 2.6 0.8 0.8
assign (resid  19 and  name   HB1) (resid  19 and  name   HB2) 1.8 0.0 0.5
assign (resid  19 and  name    HA) (resid  20 and  name    HN) 2.8 0.8 0.8
assign (resid  19 and  name   HB*) (resid  20 and  name    HN) 3.4 1.0 1.0
assign (resid  20 and  name    HA) (resid  20 and  name    HN) 3.1 0.9 0.9
assign (resid  20 and  name    HB) (resid  20 and  name    HN) 3.7 1.1 1.1
assign (resid  20 and  name    HA) (resid  20 and  name    HB) 3.4 1.0 1.0


assign (resid  16 and  name   HB*)
       (resid   7 and  name   HB* or resid  17 and  name   HB*) 3.3 1.0 1.0
assign (resid   9 and  name    HN)
       (resid   8 and  name   HA or resid   9 and  name   HA) 2.1 0.3 0.6
assign (resid  14 and  name   HA*)
       (resid   1 and  name   HA or resid   2 and  name   HA) 2.6 0.8 0.8
assign (resid  18 and  name    HA)
       (resid  18 and  name HG2* or resid  18 and  name   HD*) 2.6 0.8 0.8
assign (resid   9 and  name    HN)
       (resid  11 and  name   HA or resid  14 and  name  HA*) 3.6 1.1 1.1
assign (resid  15 and  name    HB)
       (resid   2 and  name   HN or resid  15 and  name   HN) 2.4 0.6 0.7


assign (resid   1 and name C   )
       (resid   2 and name N   )
       (resid   2 and name CA  )
       (resid   2 and name C   )  1.0   -120.0  30.0  2
assign (resid   2 and name C   )
       (resid   3 and name N   )
       (resid   3 and name CA  )
       (resid   3 and name C   )  1.0   -120.0  45.0  2
assign (resid   5 and name C   )
       (resid   6 and name N   )
       (resid   6 and name CA  )
       (resid   6 and name C   )  1.0   -120.0  45.0  2
assign (resid   6 and name C   )
       (resid   7 and name N   )
       (resid   7 and name CA  )
       (resid   7 and name C   )  1.0   -120.0  45.0  2
assign (resid   7 and name C   )
       (resid   8 and name N   )
       (resid   8 and name CA  )
       (resid   8 and name C   )  1.0   -120.0  45.0  2
assign (resid   8 and name C   )
       (resid   9 and name N   )
       (resid   9 and name CA  )
       (resid   9 and name C   )  1.0   -120.0  30.0  2
assign (resid   9 and name C   )
       (resid  10 and name N   )
       (resid  10 and name CA  )
       (resid  10 and name C   )  1.0   -120.0  45.0  2
assign (resid  14 and name C   )
       (resid  15 and name N   )
       (resid  15 and name CA  )
       (resid  15 and name C   )  1.0   -120.0  30.0  2
assign (resid  15 and name C   )
       (resid  16 and name N   )
       (resid  16 and name CA  )
       (resid  16 and name C   )  1.0   -120.0  30.0  2
assign (resid  16 and name C   )
       (resid  17 and name N   )
       (resid  17 and name CA  )
       (resid  17 and name C   )  1.0   -120.0  30.0  2
assign (resid  18 and name C   )
       (resid  19 and name N   )
       (resid  19 and name CA  )
       (resid  19 and name C   )  1.0   -120.0  30.0  2
assign (resid  19 and name C   )
       (resid  20 and name N   )
       (resid  20 and name CA  )
       (resid  20 and name C   )  1.0   -120.0  45.0  2



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   CYS   1           H        CYS   1  -0.207   1.127  -4.405
    2    HA   CYS   1           HA       CYS   1  -2.156   3.171  -3.618
    3    HB2  CYS   1           2HB      CYS   1  -0.988   2.740  -6.444
    4    HB3  CYS   1           1HB      CYS   1  -2.483   3.681  -6.116
    5    H    VAL   2           H        VAL   2  -2.838   0.853  -2.775
    6    HA   VAL   2           HA       VAL   2  -4.882   0.100  -4.713
    7    HB   VAL   2           HB       VAL   2  -4.895  -2.260  -3.829
    8   HG11  VAL   2          1HG1      VAL   2  -3.956  -1.679  -6.066
    9   HG12  VAL   2          2HG1      VAL   2  -3.076  -3.051  -5.298
   10   HG13  VAL   2          3HG1      VAL   2  -2.332  -1.413  -5.323
   11   HG21  VAL   2          3HG2      VAL   2  -2.819  -3.121  -2.737
   12   HG22  VAL   2          1HG2      VAL   2  -3.554  -1.834  -1.718
   13   HG23  VAL   2          2HG2      VAL   2  -2.110  -1.476  -2.743
   14    H    TRP   3           H        TRP   3  -6.424  -1.438  -2.875
   15    HA   TRP   3           HA       TRP   3  -6.410   0.120  -0.426
   16    HB2  TRP   3           2HB      TRP   3  -8.082   1.212  -2.026
   17    HB3  TRP   3           1HB      TRP   3  -8.995  -0.334  -2.028
   18    HD1  TRP   3           HD       TRP   3 -10.816  -0.428  -0.057
   19    HE1  TRP   3           1HE      TRP   3 -11.238   0.878   2.120
   20    HE3  TRP   3           3HE      TRP   3  -6.627   2.483  -0.109
   21    HZ2  TRP   3           2HZ      TRP   3  -9.895   2.888   3.658
   22    HZ3  TRP   3           3HZ      TRP   3  -6.220   4.050   1.754
   23    HH2  TRP   3           HH       TRP   3  -7.831   4.253   3.613
   24    H    GLY   4           H        GLY   4  -7.106  -1.064   1.337
   25    HA2  GLY   4           2HA      GLY   4  -7.775  -2.817   2.504
   26    HA3  GLY   4           1HA      GLY   4  -8.169  -3.715   0.984
   27    H    GLY   5           H        GLY   5  -5.250  -2.241   2.568
   28    HA2  GLY   5           2HA      GLY   5  -3.850  -4.790   2.250
   29    HA3  GLY   5           1HA      GLY   5  -3.197  -3.227   1.603
   30    H    ASP   6           H        ASP   6  -1.624  -4.542   3.309
   31    HA   ASP   6           HA       ASP   6  -2.253  -3.930   6.052
   32    HB2  ASP   6           2HB      ASP   6   0.190  -5.321   4.767
   33    HB3  ASP   6           1HB      ASP   6  -0.170  -5.249   6.534
   34    H    CYS   7           H        CYS   7   0.014  -2.908   3.461
   35    HA   CYS   7           HA       CYS   7   1.341  -1.115   5.381
   36    HB2  CYS   7           2HB      CYS   7   3.397  -1.318   3.994
   37    HB3  CYS   7           1HB      CYS   7   2.908  -2.816   4.815
   38    H    THR   8           H        THR   8   2.705  -0.040   2.765
   39    HA   THR   8           HA       THR   8   0.485   1.641   1.866
   40    HB   THR   8           HB       THR   8   3.145   2.667   3.009
   41    HG1  THR   8           1HG      THR   8   1.849   1.985   4.645
   42   HG21  THR   8          3HG2      THR   8   2.007   4.919   2.835
   43   HG22  THR   8          1HG2      THR   8   0.589   4.143   2.040
   44   HG23  THR   8          2HG2      THR   8   2.197   4.160   1.225
   45    H    ASP   9           H        ASP   9   0.838   2.403  -0.323
   46    HA   ASP   9           HA       ASP   9   3.304   1.464  -1.582
   47    HB2  ASP   9           2HB      ASP   9   2.354   2.408  -3.744
   48    HB3  ASP   9           1HB      ASP   9   1.642   0.909  -3.087
   49    H    PHE  10           H        PHE  10   1.725   4.441  -2.513
   50    HA   PHE  10           HA       PHE  10   3.847   6.070  -1.318
   51    HB2  PHE  10           2HB      PHE  10   1.586   6.675  -3.345
   52    HB3  PHE  10           1HB      PHE  10   2.635   7.951  -2.625
   53    HD1  PHE  10           2HD      PHE  10   5.077   7.960  -3.111
   54    HD2  PHE  10           1HD      PHE  10   2.436   5.166  -5.034
   55    HE1  PHE  10           2HE      PHE  10   6.807   7.497  -4.819
   56    HE2  PHE  10           1HE      PHE  10   4.165   4.708  -6.743
   57    HZ   PHE  10           HZ       PHE  10   6.355   5.871  -6.638
   58    H    LEU  11           H        LEU  11   3.232   7.728   0.190
   59    HA   LEU  11           HA       LEU  11   0.931   6.965   1.744
   60    HB2  LEU  11           2HB      LEU  11   3.140   7.495   2.824
   61    HB3  LEU  11           1HB      LEU  11   3.018   9.170   2.204
   62    HG   LEU  11           HG       LEU  11   0.922   9.497   3.572
   63   HD11  LEU  11          1HD1      LEU  11   0.102   7.155   3.769
   64   HD12  LEU  11          2HD1      LEU  11   0.365   7.870   5.397
   65   HD13  LEU  11          3HD1      LEU  11   1.564   6.704   4.724
   66   HD21  LEU  11          3HD2      LEU  11   3.385   8.589   5.187
   67   HD22  LEU  11          1HD2      LEU  11   2.061   9.666   5.770
   68   HD23  LEU  11          2HD2      LEU  11   3.141  10.209   4.431
   69    H    GLY  12           H        GLY  12  -1.023   7.929   1.612
   70    HA2  GLY  12           2HA      GLY  12  -2.375   9.793   1.481
   71    HA3  GLY  12           1HA      GLY  12  -1.239  10.558   0.305
   72    H    CYS  13           H        CYS  13  -0.901   7.733  -0.913
   73    HA   CYS  13           HA       CYS  13  -2.985   8.071  -2.862
   74    HB2  CYS  13           2HB      CYS  13  -0.542   7.627  -3.417
   75    HB3  CYS  13           1HB      CYS  13  -0.723   5.979  -2.752
   76    H    GLY  14           H        GLY  14  -1.645   5.186  -1.085
   77    HA2  GLY  14           2HA      GLY  14  -4.101   4.458   0.029
   78    HA3  GLY  14           1HA      GLY  14  -3.817   3.571  -1.534
   79    H    THR  15           H        THR  15  -3.777   1.568   0.062
   80    HA   THR  15           HA       THR  15  -1.502   1.360   1.661
   81    HB   THR  15           HB       THR  15  -2.628  -0.878   2.006
   82    HG1  THR  15           1HG      THR  15  -4.585  -1.208   1.170
   83   HG21  THR  15          3HG2      THR  15  -4.505   0.062   3.332
   84   HG22  THR  15          1HG2      THR  15  -4.417   1.611   2.417
   85   HG23  THR  15          2HG2      THR  15  -3.054   1.117   3.490
   86    H    ALA  16           H        ALA  16  -0.615  -1.131   1.356
   87    HA   ALA  16           HA       ALA  16  -0.598  -1.971  -1.400
   88    HB1  ALA  16           1HB      ALA  16   1.563  -0.747  -1.380
   89    HB2  ALA  16           2HB      ALA  16   1.879  -2.517  -1.348
   90    HB3  ALA  16           3HB      ALA  16   2.014  -1.538   0.166
   91    H    TRP  17           H        TRP  17   0.176  -4.286  -1.441
   92    HA   TRP  17           HA       TRP  17  -1.076  -5.557   0.852
   93    HB2  TRP  17           2HB      TRP  17  -0.250  -6.634  -1.906
   94    HB3  TRP  17           1HB      TRP  17  -1.083  -7.586  -0.623
   95    HD1  TRP  17           HD       TRP  17  -3.337  -5.442   0.227
   96    HE1  TRP  17           1HE      TRP  17  -5.220  -4.821  -1.379
   97    HE3  TRP  17           3HE      TRP  17  -1.089  -6.902  -4.108
   98    HZ2  TRP  17           2HZ      TRP  17  -5.717  -4.996  -4.204
   99    HZ3  TRP  17           3HZ      TRP  17  -2.311  -6.647  -6.240
  100    HH2  TRP  17           HH       TRP  17  -4.592  -5.709  -6.290
  101    H    ILE  18           H        ILE  18   1.705  -6.549  -1.251
  102    HA   ILE  18           HA       ILE  18   3.083  -7.470   1.149
  103    HB   ILE  18           HB       ILE  18   3.870  -7.848  -1.783
  104   HG12  ILE  18          2HG1      ILE  18   3.252 -10.348  -0.957
  105   HG13  ILE  18          1HG1      ILE  18   2.082  -9.470   0.077
  106   HG21  ILE  18          1HG2      ILE  18   5.807  -7.946  -0.214
  107   HG22  ILE  18          2HG2      ILE  18   5.396  -9.595  -0.789
  108   HG23  ILE  18          3HG2      ILE  18   4.902  -9.076   0.865
  109   HD11  ILE  18          3HD1      ILE  18   1.067 -10.213  -2.095
  110   HD12  ILE  18          1HD1      ILE  18   2.324  -9.304  -3.013
  111   HD13  ILE  18          2HD1      ILE  18   1.104  -8.415  -2.034
  112    H    CYS  19           H        CYS  19   4.701  -6.272   2.029
  113    HA   CYS  19           HA       CYS  19   6.171  -4.415   0.299
  114    HB2  CYS  19           2HB      CYS  19   5.339  -3.921   3.229
  115    HB3  CYS  19           1HB      CYS  19   6.567  -2.959   2.338
  116    H    VAL  20           H        VAL  20   8.400  -4.087   1.214
  117    HA   VAL  20           HA       VAL  20   9.447  -6.628   2.013
  118    HB   VAL  20           HB       VAL  20  10.579  -5.406   0.286
  119   HG11  VAL  20          1HG1      VAL  20  11.136  -3.195   2.374
  120   HG12  VAL  20          2HG1      VAL  20  10.002  -3.061   0.975
  121   HG13  VAL  20          3HG1      VAL  20  11.763  -3.280   0.694
  122   HG21  VAL  20          3HG2      VAL  20  11.844  -6.941   1.809
  123   HG22  VAL  20          1HG2      VAL  20  12.257  -5.549   2.881
  124   HG23  VAL  20          2HG2      VAL  20  12.872  -5.595   1.191
  Start of MODEL    2
    1    H1   CYS   1           H        CYS   1  -0.530   1.187  -4.352
    2    HA   CYS   1           HA       CYS   1  -2.363   2.882  -2.950
    3    HB2  CYS   1           2HB      CYS   1  -1.123   4.393  -4.677
    4    HB3  CYS   1           1HB      CYS   1  -1.991   3.492  -5.950
    5    H    VAL   2           H        VAL   2  -2.973   0.632  -2.565
    6    HA   VAL   2           HA       VAL   2  -5.013  -0.067  -4.556
    7    HB   VAL   2           HB       VAL   2  -4.861  -2.458  -3.812
    8   HG11  VAL   2          1HG1      VAL   2  -2.912  -3.020  -5.219
    9   HG12  VAL   2          2HG1      VAL   2  -2.297  -1.331  -5.111
   10   HG13  VAL   2          3HG1      VAL   2  -3.853  -1.674  -5.958
   11   HG21  VAL   2          3HG2      VAL   2  -2.232  -1.495  -2.496
   12   HG22  VAL   2          1HG2      VAL   2  -2.747  -3.201  -2.671
   13   HG23  VAL   2          2HG2      VAL   2  -3.688  -2.092  -1.610
   14    H    TRP   3           H        TRP   3  -6.547  -1.708  -3.008
   15    HA   TRP   3           HA       TRP   3  -6.991  -0.201  -0.518
   16    HB2  TRP   3           2HB      TRP   3  -8.813   0.235  -2.183
   17    HB3  TRP   3           1HB      TRP   3  -9.065  -1.531  -2.368
   18    HD1  TRP   3           HD       TRP   3  -9.246   1.145   0.559
   19    HE1  TRP   3           1HE      TRP   3 -11.134   0.441   2.149
   20    HE3  TRP   3           3HE      TRP   3 -10.523  -3.240  -1.705
   21    HZ2  TRP   3           2HZ      TRP   3 -12.926  -1.773   2.431
   22    HZ3  TRP   3           3HZ      TRP   3 -12.303  -4.636  -0.712
   23    HH2  TRP   3           HH       TRP   3 -13.492  -3.913   1.325
   24    H    GLY   4           H        GLY   4  -7.194  -1.443   1.298
   25    HA2  GLY   4           2HA      GLY   4  -7.485  -3.180   2.591
   26    HA3  GLY   4           1HA      GLY   4  -7.860  -4.201   1.148
   27    H    GLY   5           H        GLY   5  -5.031  -2.381   2.514
   28    HA2  GLY   5           2HA      GLY   5  -3.396  -4.803   2.226
   29    HA3  GLY   5           1HA      GLY   5  -2.902  -3.181   1.588
   30    H    ASP   6           H        ASP   6  -1.239  -4.357   3.392
   31    HA   ASP   6           HA       ASP   6  -2.017  -3.602   6.071
   32    HB2  ASP   6           2HB      ASP   6  -0.973  -5.854   5.555
   33    HB3  ASP   6           1HB      ASP   6   0.516  -5.016   5.015
   34    H    CYS   7           H        CYS   7   0.366  -2.737   3.498
   35    HA   CYS   7           HA       CYS   7   1.600  -0.825   5.361
   36    HB2  CYS   7           2HB      CYS   7   3.637  -0.972   3.916
   37    HB3  CYS   7           1HB      CYS   7   3.209  -2.455   4.792
   38    H    THR   8           H        THR   8   2.867   0.129   2.566
   39    HA   THR   8           HA       THR   8   0.666   1.882   1.783
   40    HB   THR   8           HB       THR   8   3.409   2.840   2.789
   41    HG1  THR   8           1HG      THR   8   2.315   3.662   4.482
   42   HG21  THR   8          3HG2      THR   8   2.464   4.317   0.990
   43   HG22  THR   8          1HG2      THR   8   2.355   5.132   2.580
   44   HG23  THR   8          2HG2      THR   8   0.883   4.391   1.853
   45    H    ASP   9           H        ASP   9   0.911   2.534  -0.430
   46    HA   ASP   9           HA       ASP   9   3.287   1.543  -1.810
   47    HB2  ASP   9           2HB      ASP   9   2.154   2.361  -3.937
   48    HB3  ASP   9           1HB      ASP   9   1.467   0.917  -3.133
   49    H    PHE  10           H        PHE  10   1.631   4.447  -2.786
   50    HA   PHE  10           HA       PHE  10   3.794   6.196  -1.928
   51    HB2  PHE  10           2HB      PHE  10   1.162   6.713  -3.489
   52    HB3  PHE  10           1HB      PHE  10   2.402   7.970  -3.131
   53    HD1  PHE  10           2HD      PHE  10   4.782   7.580  -4.035
   54    HD2  PHE  10           1HD      PHE  10   1.389   5.297  -5.363
   55    HE1  PHE  10           2HE      PHE  10   6.027   6.909  -6.067
   56    HE2  PHE  10           1HE      PHE  10   2.635   4.628  -7.394
   57    HZ   PHE  10           HZ       PHE  10   4.957   5.431  -7.749
   58    H    LEU  11           H        LEU  11   3.391   7.829  -0.336
   59    HA   LEU  11           HA       LEU  11   1.347   7.082   1.537
   60    HB2  LEU  11           2HB      LEU  11   3.670   7.690   2.276
   61    HB3  LEU  11           1HB      LEU  11   3.422   9.342   1.634
   62    HG   LEU  11           HG       LEU  11   1.538   9.674   3.280
   63   HD11  LEU  11          1HD1      LEU  11   0.809   7.324   3.659
   64   HD12  LEU  11          2HD1      LEU  11   1.283   8.098   5.211
   65   HD13  LEU  11          3HD1      LEU  11   2.401   6.931   4.411
   66   HD21  LEU  11          3HD2      LEU  11   2.980   9.932   5.285
   67   HD22  LEU  11          1HD2      LEU  11   3.842  10.451   3.789
   68   HD23  LEU  11          2HD2      LEU  11   4.229   8.859   4.546
   69    H    GLY  12           H        GLY  12  -0.635   7.970   1.652
   70    HA2  GLY  12           2HA      GLY  12  -2.000   9.839   1.760
   71    HA3  GLY  12           1HA      GLY  12  -1.103  10.587   0.384
   72    H    CYS  13           H        CYS  13  -0.936   7.859  -0.957
   73    HA   CYS  13           HA       CYS  13  -3.385   8.200  -2.408
   74    HB2  CYS  13           2HB      CYS  13  -1.067   7.911  -3.432
   75    HB3  CYS  13           1HB      CYS  13  -1.132   6.186  -2.966
   76    H    GLY  14           H        GLY  14  -1.671   5.247  -1.054
   77    HA2  GLY  14           2HA      GLY  14  -3.984   4.429   0.332
   78    HA3  GLY  14           1HA      GLY  14  -3.833   3.591  -1.270
   79    H    THR  15           H        THR  15  -3.651   1.558   0.204
   80    HA   THR  15           HA       THR  15  -1.303   1.313   1.694
   81    HB   THR  15           HB       THR  15  -2.442  -0.922   2.073
   82    HG1  THR  15           1HG      THR  15  -3.651  -1.079   0.256
   83   HG21  THR  15          3HG2      THR  15  -4.213   0.040   3.523
   84   HG22  THR  15          1HG2      THR  15  -4.138   1.602   2.628
   85   HG23  THR  15          2HG2      THR  15  -2.729   1.054   3.609
   86    H    ALA  16           H        ALA  16  -0.491  -1.248   1.327
   87    HA   ALA  16           HA       ALA  16  -0.473  -1.903  -1.490
   88    HB1  ALA  16           1HB      ALA  16   1.659  -0.658  -1.372
   89    HB2  ALA  16           2HB      ALA  16   1.992  -2.417  -1.508
   90    HB3  ALA  16           3HB      ALA  16   2.146  -1.581   0.085
   91    H    TRP  17           H        TRP  17   0.003  -4.112  -1.848
   92    HA   TRP  17           HA       TRP  17  -0.886  -5.747   0.371
   93    HB2  TRP  17           2HB      TRP  17  -0.364  -6.396  -2.599
   94    HB3  TRP  17           1HB      TRP  17  -1.033  -7.545  -1.390
   95    HD1  TRP  17           HD       TRP  17  -3.223  -5.454  -0.062
   96    HE1  TRP  17           1HE      TRP  17  -5.340  -4.945  -1.413
   97    HE3  TRP  17           3HE      TRP  17  -1.454  -6.653  -4.693
   98    HZ2  TRP  17           2HZ      TRP  17  -6.148  -5.004  -4.155
   99    HZ3  TRP  17           3HZ      TRP  17  -2.931  -6.377  -6.654
  100    HH2  TRP  17           HH       TRP  17  -5.246  -5.564  -6.391
  101    H    ILE  18           H        ILE  18   1.822  -5.511  -2.012
  102    HA   ILE  18           HA       ILE  18   3.361  -7.484  -0.585
  103    HB   ILE  18           HB       ILE  18   4.195  -5.637  -2.873
  104   HG12  ILE  18          2HG1      ILE  18   2.296  -6.973  -3.636
  105   HG13  ILE  18          1HG1      ILE  18   3.819  -7.531  -4.385
  106   HG21  ILE  18          1HG2      ILE  18   6.133  -6.534  -1.614
  107   HG22  ILE  18          2HG2      ILE  18   5.998  -7.381  -3.192
  108   HG23  ILE  18          3HG2      ILE  18   5.456  -8.202  -1.681
  109   HD11  ILE  18          3HD1      ILE  18   2.339  -8.943  -2.062
  110   HD12  ILE  18          1HD1      ILE  18   3.893  -9.492  -2.797
  111   HD13  ILE  18          2HD1      ILE  18   2.388  -9.458  -3.783
  112    H    CYS  19           H        CYS  19   4.512  -6.990   1.184
  113    HA   CYS  19           HA       CYS  19   5.283  -4.185   1.640
  114    HB2  CYS  19           2HB      CYS  19   4.348  -6.275   3.700
  115    HB3  CYS  19           1HB      CYS  19   4.858  -4.592   4.068
  116    H    VAL  20           H        VAL  20   7.096  -4.067   3.272
  117    HA   VAL  20           HA       VAL  20   9.154  -5.903   2.435
  118    HB   VAL  20           HB       VAL  20   9.365  -3.570   4.406
  119   HG11  VAL  20          1HG1      VAL  20  11.200  -5.260   4.613
  120   HG12  VAL  20          2HG1      VAL  20  11.807  -3.761   3.827
  121   HG13  VAL  20          3HG1      VAL  20  11.457  -5.220   2.827
  122   HG21  VAL  20          3HG2      VAL  20  10.295  -2.338   2.409
  123   HG22  VAL  20          1HG2      VAL  20   8.560  -2.746   2.195
  124   HG23  VAL  20          2HG2      VAL  20   9.825  -3.717   1.347
  Start of MODEL    3
    1    H1   CYS   1           H        CYS   1  -0.227   1.124  -4.319
    2    HA   CYS   1           HA       CYS   1  -2.174   3.182  -3.576
    3    HB2  CYS   1           2HB      CYS   1  -0.918   2.780  -6.368
    4    HB3  CYS   1           1HB      CYS   1  -2.416   3.726  -6.079
    5    H    VAL   2           H        VAL   2  -2.787   0.776  -2.808
    6    HA   VAL   2           HA       VAL   2  -4.851   0.077  -4.746
    7    HB   VAL   2           HB       VAL   2  -4.783  -2.325  -3.958
    8   HG11  VAL   2          1HG1      VAL   2  -3.944  -1.623  -6.199
    9   HG12  VAL   2          2HG1      VAL   2  -2.997  -3.000  -5.523
   10   HG13  VAL   2          3HG1      VAL   2  -2.302  -1.342  -5.504
   11   HG21  VAL   2          3HG2      VAL   2  -1.975  -1.517  -2.941
   12   HG22  VAL   2          1HG2      VAL   2  -2.656  -3.175  -2.971
   13   HG23  VAL   2          2HG2      VAL   2  -3.376  -1.940  -1.878
   14    H    TRP   3           H        TRP   3  -6.363  -1.545  -2.995
   15    HA   TRP   3           HA       TRP   3  -6.340  -0.117  -0.465
   16    HB2  TRP   3           2HB      TRP   3  -8.026   1.018  -2.023
   17    HB3  TRP   3           1HB      TRP   3  -8.934  -0.530  -2.054
   18    HD1  TRP   3           HD       TRP   3 -10.697  -0.709  -0.032
   19    HE1  TRP   3           1HE      TRP   3 -11.068   0.520   2.200
   20    HE3  TRP   3           3HE      TRP   3  -6.556   2.266  -0.124
   21    HZ2  TRP   3           2HZ      TRP   3  -9.710   2.506   3.754
   22    HZ3  TRP   3           3HZ      TRP   3  -6.112   3.780   1.775
   23    HH2  TRP   3           HH       TRP   3  -7.668   3.902   3.687
   24    H    GLY   4           H        GLY   4  -7.150  -1.348   1.245
   25    HA2  GLY   4           2HA      GLY   4  -7.854  -3.151   2.319
   26    HA3  GLY   4           1HA      GLY   4  -8.076  -4.035   0.757
   27    H    GLY   5           H        GLY   5  -5.263  -2.333   2.261
   28    HA2  GLY   5           2HA      GLY   5  -3.723  -4.834   2.078
   29    HA3  GLY   5           1HA      GLY   5  -3.156  -3.201   1.552
   30    H    ASP   6           H        ASP   6  -1.608  -4.558   3.269
   31    HA   ASP   6           HA       ASP   6  -2.351  -4.001   6.007
   32    HB2  ASP   6           2HB      ASP   6   0.119  -5.397   4.784
   33    HB3  ASP   6           1HB      ASP   6  -0.287  -5.334   6.541
   34    H    CYS   7           H        CYS   7  -0.018  -2.974   3.484
   35    HA   CYS   7           HA       CYS   7   1.287  -1.209   5.445
   36    HB2  CYS   7           2HB      CYS   7   3.360  -1.392   4.086
   37    HB3  CYS   7           1HB      CYS   7   2.859  -2.907   4.868
   38    H    THR   8           H        THR   8   2.692  -0.076   2.880
   39    HA   THR   8           HA       THR   8   0.459   1.587   1.967
   40    HB   THR   8           HB       THR   8   3.107   2.666   3.072
   41    HG1  THR   8           1HG      THR   8   1.952   3.319   4.797
   42   HG21  THR   8          3HG2      THR   8   0.462   4.034   2.183
   43   HG22  THR   8          1HG2      THR   8   2.052   4.148   1.339
   44   HG23  THR   8          2HG2      THR   8   1.847   4.874   2.966
   45    H    ASP   9           H        ASP   9   0.805   2.388  -0.215
   46    HA   ASP   9           HA       ASP   9   3.275   1.471  -1.479
   47    HB2  ASP   9           2HB      ASP   9   2.334   2.393  -3.639
   48    HB3  ASP   9           1HB      ASP   9   1.611   0.900  -2.979
   49    H    PHE  10           H        PHE  10   1.685   4.414  -2.427
   50    HA   PHE  10           HA       PHE  10   3.912   6.044  -1.481
   51    HB2  PHE  10           2HB      PHE  10   1.553   6.494  -3.424
   52    HB3  PHE  10           1HB      PHE  10   2.589   7.850  -2.859
   53    HD1  PHE  10           1HD      PHE  10   2.454   4.754  -4.903
   54    HD2  PHE  10           2HD      PHE  10   4.943   7.981  -3.538
   55    HE1  PHE  10           1HE      PHE  10   4.130   4.192  -6.631
   56    HE2  PHE  10           2HE      PHE  10   6.622   7.415  -5.266
   57    HZ   PHE  10           HZ       PHE  10   6.219   5.519  -6.815
   58    H    LEU  11           H        LEU  11   3.359   8.095  -0.391
   59    HA   LEU  11           HA       LEU  11   1.495   7.560   1.717
   60    HB2  LEU  11           2HB      LEU  11   3.229  10.043   1.193
   61    HB3  LEU  11           1HB      LEU  11   2.347   9.674   2.716
   62    HG   LEU  11           HG       LEU  11   4.671   8.042   1.518
   63   HD11  LEU  11          1HD1      LEU  11   4.638   9.966   3.926
   64   HD12  LEU  11          2HD1      LEU  11   5.396  10.279   2.318
   65   HD13  LEU  11          3HD1      LEU  11   6.034   8.966   3.376
   66   HD21  LEU  11          3HD2      LEU  11   3.222   7.723   4.226
   67   HD22  LEU  11          1HD2      LEU  11   4.731   6.867   3.735
   68   HD23  LEU  11          2HD2      LEU  11   3.200   6.560   2.847
   69    H    GLY  12           H        GLY  12  -0.583   8.214   1.757
   70    HA2  GLY  12           2HA      GLY  12  -2.270   9.662   1.619
   71    HA3  GLY  12           1HA      GLY  12  -1.342  10.705   0.479
   72    H    CYS  13           H        CYS  13  -0.910   7.673  -0.725
   73    HA   CYS  13           HA       CYS  13  -2.939   8.098  -2.742
   74    HB2  CYS  13           2HB      CYS  13  -0.503   7.630  -3.281
   75    HB3  CYS  13           1HB      CYS  13  -0.699   5.987  -2.612
   76    H    GLY  14           H        GLY  14  -1.643   5.158  -1.052
   77    HA2  GLY  14           2HA      GLY  14  -4.110   4.480   0.107
   78    HA3  GLY  14           1HA      GLY  14  -3.842   3.586  -1.456
   79    H    THR  15           H        THR  15  -3.817   1.590   0.176
   80    HA   THR  15           HA       THR  15  -1.498   1.360   1.709
   81    HB   THR  15           HB       THR  15  -2.636  -0.880   2.067
   82    HG1  THR  15           1HG      THR  15  -3.813  -1.040   0.243
   83   HG21  THR  15          3HG2      THR  15  -4.343   1.640   2.606
   84   HG22  THR  15          1HG2      THR  15  -2.944   1.098   3.604
   85   HG23  THR  15          2HG2      THR  15  -4.426   0.080   3.501
   86    H    ALA  16           H        ALA  16  -0.536  -1.049   1.381
   87    HA   ALA  16           HA       ALA  16  -0.626  -1.919  -1.384
   88    HB1  ALA  16           1HB      ALA  16   1.577  -0.763  -1.341
   89    HB2  ALA  16           2HB      ALA  16   1.829  -2.541  -1.330
   90    HB3  ALA  16           3HB      ALA  16   1.993  -1.589   0.195
   91    H    TRP  17           H        TRP  17   0.037  -4.268  -1.431
   92    HA   TRP  17           HA       TRP  17  -1.344  -5.469   0.802
   93    HB2  TRP  17           2HB      TRP  17  -0.309  -6.641  -1.852
   94    HB3  TRP  17           1HB      TRP  17  -1.264  -7.540  -0.621
   95    HD1  TRP  17           HD       TRP  17  -3.546  -5.357  -0.014
   96    HE1  TRP  17           1HE      TRP  17  -5.293  -4.774  -1.775
   97    HE3  TRP  17           3HE      TRP  17  -0.966  -6.927  -4.116
   98    HZ2  TRP  17           2HZ      TRP  17  -5.560  -5.008  -4.628
   99    HZ3  TRP  17           3HZ      TRP  17  -2.008  -6.712  -6.347
  100    HH2  TRP  17           HH       TRP  17  -4.274  -5.767  -6.601
  101    H    ILE  18           H        ILE  18   1.575  -6.551  -1.050
  102    HA   ILE  18           HA       ILE  18   2.831  -7.246   1.504
  103    HB   ILE  18           HB       ILE  18   4.518  -8.430   0.134
  104   HG12  ILE  18          2HG1      ILE  18   2.583  -7.872  -2.215
  105   HG13  ILE  18          1HG1      ILE  18   4.202  -7.122  -2.008
  106   HG21  ILE  18          1HG2      ILE  18   2.533  -9.508   1.237
  107   HG22  ILE  18          2HG2      ILE  18   3.032 -10.373  -0.257
  108   HG23  ILE  18          3HG2      ILE  18   1.581  -9.304  -0.283
  109   HD11  ILE  18          3HD1      ILE  18   4.361  -8.980  -3.601
  110   HD12  ILE  18          1HD1      ILE  18   3.640 -10.130  -2.418
  111   HD13  ILE  18          2HD1      ILE  18   5.265  -9.408  -2.100
  112    H    CYS  19           H        CYS  19   4.900  -6.446   2.014
  113    HA   CYS  19           HA       CYS  19   6.068  -4.433   0.281
  114    HB2  CYS  19           2HB      CYS  19   5.365  -3.959   3.253
  115    HB3  CYS  19           1HB      CYS  19   6.569  -2.986   2.346
  116    H    VAL  20           H        VAL  20   8.344  -4.018   1.053
  117    HA   VAL  20           HA       VAL  20   9.527  -6.521   1.776
  118    HB   VAL  20           HB       VAL  20  10.502  -5.261  -0.019
  119   HG11  VAL  20          1HG1      VAL  20   9.890  -2.938   0.713
  120   HG12  VAL  20          2HG1      VAL  20  11.634  -3.096   0.316
  121   HG13  VAL  20          3HG1      VAL  20  11.118  -3.031   2.033
  122   HG21  VAL  20          3HG2      VAL  20  12.348  -5.345   2.460
  123   HG22  VAL  20          1HG2      VAL  20  12.854  -5.371   0.733
  124   HG23  VAL  20          2HG2      VAL  20  11.916  -6.752   1.414
  Start of MODEL    4
    1    H1   CYS   1           H        CYS   1   0.071   0.965  -4.229
    2    HA   CYS   1           HA       CYS   1  -1.972   2.970  -3.605
    3    HB2  CYS   1           2HB      CYS   1  -0.705   2.445  -6.369
    4    HB3  CYS   1           1HB      CYS   1  -2.235   3.354  -6.129
    5    H    VAL   2           H        VAL   2  -2.624   0.686  -2.668
    6    HA   VAL   2           HA       VAL   2  -4.542  -0.260  -4.653
    7    HB   VAL   2           HB       VAL   2  -4.492  -2.568  -3.638
    8   HG11  VAL   2          1HG1      VAL   2  -3.496  -2.065  -5.869
    9   HG12  VAL   2          2HG1      VAL   2  -2.595  -3.359  -4.994
   10   HG13  VAL   2          3HG1      VAL   2  -1.912  -1.694  -5.084
   11   HG21  VAL   2          3HG2      VAL   2  -1.791  -1.593  -2.496
   12   HG22  VAL   2          1HG2      VAL   2  -2.419  -3.270  -2.432
   13   HG23  VAL   2          2HG2      VAL   2  -3.255  -1.973  -1.508
   14    H    TRP   3           H        TRP   3  -6.070  -1.804  -2.788
   15    HA   TRP   3           HA       TRP   3  -6.288  -0.101  -0.449
   16    HB2  TRP   3           2HB      TRP   3  -7.916   0.805  -2.199
   17    HB3  TRP   3           1HB      TRP   3  -8.743  -0.788  -2.168
   18    HD1  TRP   3           HD       TRP   3 -10.681  -0.879  -0.312
   19    HE1  TRP   3           1HE      TRP   3 -11.309   0.511   1.758
   20    HE3  TRP   3           3HE      TRP   3  -6.658   2.257  -0.271
   21    HZ2  TRP   3           2HZ      TRP   3 -10.179   2.674   3.259
   22    HZ3  TRP   3           3HZ      TRP   3  -6.457   3.942   1.522
   23    HH2  TRP   3           HH       TRP   3  -8.194   4.151   3.263
   24    H    GLY   4           H        GLY   4  -7.025  -1.207   1.343
   25    HA2  GLY   4           2HA      GLY   4  -7.741  -2.904   2.571
   26    HA3  GLY   4           1HA      GLY   4  -7.960  -3.922   1.093
   27    H    GLY   5           H        GLY   5  -5.221  -2.176   2.723
   28    HA2  GLY   5           2HA      GLY   5  -3.704  -4.683   2.759
   29    HA3  GLY   5           1HA      GLY   5  -3.081  -3.164   1.995
   30    H    ASP   6           H        ASP   6  -1.658  -4.338   4.034
   31    HA   ASP   6           HA       ASP   6  -2.475  -3.200   6.554
   32    HB2  ASP   6           2HB      ASP   6  -0.597  -4.503   7.517
   33    HB3  ASP   6           1HB      ASP   6  -1.727  -5.534   6.583
   34    H    CYS   7           H        CYS   7  -0.080  -2.701   3.984
   35    HA   CYS   7           HA       CYS   7   1.362  -0.763   5.661
   36    HB2  CYS   7           2HB      CYS   7   3.333  -1.270   4.081
   37    HB3  CYS   7           1HB      CYS   7   2.851  -2.512   5.255
   38    H    THR   8           H        THR   8   2.716   0.239   3.123
   39    HA   THR   8           HA       THR   8   0.474   1.770   2.025
   40    HB   THR   8           HB       THR   8   3.033   2.945   3.252
   41    HG1  THR   8           1HG      THR   8   1.677   2.276   4.845
   42   HG21  THR   8          3HG2      THR   8   2.125   4.324   1.358
   43   HG22  THR   8          1HG2      THR   8   1.827   5.142   2.923
   44   HG23  THR   8          2HG2      THR   8   0.480   4.282   2.093
   45    H    ASP   9           H        ASP   9   0.903   2.457  -0.173
   46    HA   ASP   9           HA       ASP   9   3.450   1.548  -1.280
   47    HB2  ASP   9           2HB      ASP   9   2.567   2.340  -3.522
   48    HB3  ASP   9           1HB      ASP   9   1.861   0.860  -2.812
   49    H    PHE  10           H        PHE  10   1.817   4.423  -2.415
   50    HA   PHE  10           HA       PHE  10   3.831   6.178  -1.207
   51    HB2  PHE  10           2HB      PHE  10   1.642   6.616  -3.353
   52    HB3  PHE  10           1HB      PHE  10   2.621   7.956  -2.650
   53    HD1  PHE  10           1HD      PHE  10   5.088   8.008  -3.022
   54    HD2  PHE  10           2HD      PHE  10   2.602   5.077  -4.948
   55    HE1  PHE  10           1HE      PHE  10   6.902   7.525  -4.634
   56    HE2  PHE  10           2HE      PHE  10   4.416   4.598  -6.560
   57    HZ   PHE  10           HZ       PHE  10   6.570   5.820  -6.405
   58    H    LEU  11           H        LEU  11   3.097   7.874   0.200
   59    HA   LEU  11           HA       LEU  11   0.752   7.100   1.682
   60    HB2  LEU  11           2HB      LEU  11   2.890   7.754   2.836
   61    HB3  LEU  11           1HB      LEU  11   2.742   9.394   2.136
   62    HG   LEU  11           HG       LEU  11   0.574   9.705   3.393
   63   HD11  LEU  11          1HD1      LEU  11   1.258   6.989   4.698
   64   HD12  LEU  11          2HD1      LEU  11  -0.173   7.346   3.659
   65   HD13  LEU  11          3HD1      LEU  11  -0.010   8.140   5.263
   66   HD21  LEU  11          3HD2      LEU  11   2.991   8.956   5.154
   67   HD22  LEU  11          1HD2      LEU  11   1.607  10.010   5.631
   68   HD23  LEU  11          2HD2      LEU  11   2.726  10.532   4.318
   69    H    GLY  12           H        GLY  12  -1.224   7.983   1.418
   70    HA2  GLY  12           2HA      GLY  12  -2.630   9.795   1.144
   71    HA3  GLY  12           1HA      GLY  12  -1.468  10.546  -0.014
   72    H    CYS  13           H        CYS  13  -0.979   7.689  -1.092
   73    HA   CYS  13           HA       CYS  13  -2.987   7.868  -3.138
   74    HB2  CYS  13           2HB      CYS  13  -0.508   7.488  -3.572
   75    HB3  CYS  13           1HB      CYS  13  -0.665   5.864  -2.842
   76    H    GLY  14           H        GLY  14  -1.631   5.113  -1.176
   77    HA2  GLY  14           2HA      GLY  14  -4.114   4.340  -0.153
   78    HA3  GLY  14           1HA      GLY  14  -3.717   3.398  -1.657
   79    H    THR  15           H        THR  15  -3.697   1.477   0.030
   80    HA   THR  15           HA       THR  15  -1.508   1.421   1.756
   81    HB   THR  15           HB       THR  15  -2.594  -0.821   2.171
   82    HG1  THR  15           1HG      THR  15  -3.552  -1.191   0.255
   83   HG21  THR  15          3HG2      THR  15  -3.163   1.242   3.502
   84   HG22  THR  15          1HG2      THR  15  -4.574   0.139   3.321
   85   HG23  THR  15          2HG2      THR  15  -4.470   1.632   2.321
   86    H    ALA  16           H        ALA  16  -0.622  -1.158   1.585
   87    HA   ALA  16           HA       ALA  16  -0.199  -1.869  -1.201
   88    HB1  ALA  16           1HB      ALA  16   1.919  -0.700  -0.739
   89    HB2  ALA  16           2HB      ALA  16   2.216  -2.470  -0.755
   90    HB3  ALA  16           3HB      ALA  16   2.102  -1.583   0.814
   91    H    TRP  17           H        TRP  17   0.413  -4.132  -1.372
   92    HA   TRP  17           HA       TRP  17  -0.629  -5.713   0.877
   93    HB2  TRP  17           2HB      TRP  17  -0.286  -6.424  -2.107
   94    HB3  TRP  17           1HB      TRP  17  -0.903  -7.528  -0.829
   95    HD1  TRP  17           HD       TRP  17  -2.982  -5.258   0.510
   96    HE1  TRP  17           1HE      TRP  17  -5.130  -4.733  -0.778
   97    HE3  TRP  17           3HE      TRP  17  -1.503  -6.869  -4.102
   98    HZ2  TRP  17           2HZ      TRP  17  -6.085  -4.961  -3.462
   99    HZ3  TRP  17           3HZ      TRP  17  -3.070  -6.672  -6.002
  100    HH2  TRP  17           HH       TRP  17  -5.329  -5.732  -5.690
  101    H    ILE  18           H        ILE  18   1.718  -6.020  -1.859
  102    HA   ILE  18           HA       ILE  18   3.632  -7.315  -0.097
  103    HB   ILE  18           HB       ILE  18   3.804  -6.675  -3.083
  104   HG12  ILE  18          2HG1      ILE  18   3.065  -9.297  -1.636
  105   HG13  ILE  18          1HG1      ILE  18   1.931  -8.252  -2.555
  106   HG21  ILE  18          1HG2      ILE  18   6.043  -6.888  -1.945
  107   HG22  ILE  18          2HG2      ILE  18   5.741  -8.291  -3.010
  108   HG23  ILE  18          3HG2      ILE  18   5.533  -8.460  -1.228
  109   HD11  ILE  18          3HD1      ILE  18   3.277  -8.645  -4.655
  110   HD12  ILE  18          1HD1      ILE  18   2.563 -10.146  -3.959
  111   HD13  ILE  18          2HD1      ILE  18   4.316  -9.805  -3.743
  112    H    CYS  19           H        CYS  19   5.222  -6.148   0.874
  113    HA   CYS  19           HA       CYS  19   6.072  -3.605  -0.202
  114    HB2  CYS  19           2HB      CYS  19   5.697  -2.504   2.114
  115    HB3  CYS  19           1HB      CYS  19   4.269  -2.709   1.052
  116    H    VAL  20           H        VAL  20   6.098  -5.957   2.526
  117    HA   VAL  20           HA       VAL  20   8.956  -5.519   2.876
  118    HB   VAL  20           HB       VAL  20   8.632  -7.009   4.890
  119   HG11  VAL  20          1HG1      VAL  20   7.002  -4.386   4.716
  120   HG12  VAL  20          2HG1      VAL  20   8.784  -4.516   4.974
  121   HG13  VAL  20          3HG1      VAL  20   7.644  -5.151   6.216
  122   HG21  VAL  20          3HG2      VAL  20   5.620  -6.536   4.279
  123   HG22  VAL  20          1HG2      VAL  20   6.318  -7.341   5.723
  124   HG23  VAL  20          2HG2      VAL  20   6.463  -8.120   4.110
  Start of MODEL    5
    1    H1   CYS   1           H        CYS   1  -0.290   1.155  -4.320
    2    HA   CYS   1           HA       CYS   1  -2.212   2.877  -3.065
    3    HB2  CYS   1           2HB      CYS   1  -0.804   4.353  -4.683
    4    HB3  CYS   1           1HB      CYS   1  -1.591   3.470  -6.022
    5    H    VAL   2           H        VAL   2  -2.843   0.617  -2.734
    6    HA   VAL   2           HA       VAL   2  -4.867   0.047  -4.769
    7    HB   VAL   2           HB       VAL   2  -4.885  -2.352  -3.965
    8   HG11  VAL   2          1HG1      VAL   2  -3.882  -1.670  -6.144
    9   HG12  VAL   2          2HG1      VAL   2  -2.991  -3.049  -5.398
   10   HG13  VAL   2          3HG1      VAL   2  -2.292  -1.391  -5.336
   11   HG21  VAL   2          3HG2      VAL   2  -2.827  -3.216  -2.833
   12   HG22  VAL   2          1HG2      VAL   2  -3.624  -1.983  -1.791
   13   HG23  VAL   2          2HG2      VAL   2  -2.150  -1.562  -2.746
   14    H    TRP   3           H        TRP   3  -6.422  -1.603  -2.968
   15    HA   TRP   3           HA       TRP   3  -6.516  -0.051  -0.514
   16    HB2  TRP   3           2HB      TRP   3  -8.199   0.969  -2.147
   17    HB3  TRP   3           1HB      TRP   3  -9.044  -0.615  -2.173
   18    HD1  TRP   3           HD       TRP   3 -10.915  -0.783  -0.255
   19    HE1  TRP   3           1HE      TRP   3 -11.451   0.502   1.908
   20    HE3  TRP   3           3HE      TRP   3  -6.845   2.292  -0.187
   21    HZ2  TRP   3           2HZ      TRP   3 -10.235   2.562   3.484
   22    HZ3  TRP   3           3HZ      TRP   3  -6.557   3.875   1.685
   23    HH2  TRP   3           HH       TRP   3  -8.229   4.012   3.496
   24    H    GLY   4           H        GLY   4  -7.215  -1.251   1.236
   25    HA2  GLY   4           2HA      GLY   4  -7.830  -3.026   2.399
   26    HA3  GLY   4           1HA      GLY   4  -8.155  -3.945   0.875
   27    H    GLY   5           H        GLY   5  -5.308  -2.312   2.426
   28    HA2  GLY   5           2HA      GLY   5  -3.790  -4.806   2.136
   29    HA3  GLY   5           1HA      GLY   5  -3.205  -3.196   1.549
   30    H    ASP   6           H        ASP   6  -1.647  -4.551   3.275
   31    HA   ASP   6           HA       ASP   6  -2.339  -3.963   6.012
   32    HB2  ASP   6           2HB      ASP   6   0.127  -5.340   4.759
   33    HB3  ASP   6           1HB      ASP   6  -0.255  -5.279   6.521
   34    H    CYS   7           H        CYS   7  -0.047  -2.919   3.460
   35    HA   CYS   7           HA       CYS   7   1.270  -1.147   5.408
   36    HB2  CYS   7           2HB      CYS   7   3.344  -1.350   4.049
   37    HB3  CYS   7           1HB      CYS   7   2.836  -2.855   4.845
   38    H    THR   8           H        THR   8   2.677  -0.038   2.839
   39    HA   THR   8           HA       THR   8   0.459   1.614   1.885
   40    HB   THR   8           HB       THR   8   3.059   2.690   3.113
   41    HG1  THR   8           1HG      THR   8   1.733   1.963   4.705
   42   HG21  THR   8          3HG2      THR   8   2.143   4.177   1.316
   43   HG22  THR   8          1HG2      THR   8   1.844   4.912   2.924
   44   HG23  THR   8          2HG2      THR   8   0.498   4.093   2.057
   45    H    ASP   9           H        ASP   9   0.846   2.383  -0.278
   46    HA   ASP   9           HA       ASP   9   3.333   1.466  -1.504
   47    HB2  ASP   9           2HB      ASP   9   2.355   2.343  -3.683
   48    HB3  ASP   9           1HB      ASP   9   1.628   0.870  -2.977
   49    H    PHE  10           H        PHE  10   1.733   4.372  -2.522
   50    HA   PHE  10           HA       PHE  10   3.922   6.080  -1.658
   51    HB2  PHE  10           2HB      PHE  10   1.388   6.544  -3.382
   52    HB3  PHE  10           1HB      PHE  10   2.569   7.844  -2.980
   53    HD1  PHE  10           2HD      PHE  10   4.996   7.536  -3.705
   54    HD2  PHE  10           1HD      PHE  10   1.826   5.019  -5.152
   55    HE1  PHE  10           2HE      PHE  10   6.418   6.832  -5.605
   56    HE2  PHE  10           1HE      PHE  10   3.248   4.318  -7.050
   57    HZ   PHE  10           HZ       PHE  10   5.547   5.222  -7.281
   58    H    LEU  11           H        LEU  11   3.401   8.055  -0.454
   59    HA   LEU  11           HA       LEU  11   1.582   7.461   1.675
   60    HB2  LEU  11           2HB      LEU  11   3.262   9.988   1.183
   61    HB3  LEU  11           1HB      LEU  11   2.435   9.542   2.716
   62    HG   LEU  11           HG       LEU  11   4.765   8.025   1.384
   63   HD11  LEU  11          1HD1      LEU  11   4.736   9.823   3.889
   64   HD12  LEU  11          2HD1      LEU  11   5.445  10.240   2.282
   65   HD13  LEU  11          3HD1      LEU  11   6.148   8.893   3.255
   66   HD21  LEU  11          3HD2      LEU  11   3.385   7.521   4.101
   67   HD22  LEU  11          1HD2      LEU  11   4.917   6.747   3.541
   68   HD23  LEU  11          2HD2      LEU  11   3.382   6.428   2.664
   69    H    GLY  12           H        GLY  12  -0.508   8.094   1.771
   70    HA2  GLY  12           2HA      GLY  12  -2.146   9.622   1.768
   71    HA3  GLY  12           1HA      GLY  12  -1.287  10.616   0.538
   72    H    CYS  13           H        CYS  13  -0.893   7.791  -0.891
   73    HA   CYS  13           HA       CYS  13  -3.176   8.218  -2.580
   74    HB2  CYS  13           2HB      CYS  13  -0.780   7.868  -3.383
   75    HB3  CYS  13           1HB      CYS  13  -0.933   6.145  -2.931
   76    H    GLY  14           H        GLY  14  -1.672   5.227  -1.096
   77    HA2  GLY  14           2HA      GLY  14  -4.115   4.461   0.086
   78    HA3  GLY  14           1HA      GLY  14  -3.832   3.608  -1.494
   79    H    THR  15           H        THR  15  -3.792   1.583   0.045
   80    HA   THR  15           HA       THR  15  -1.536   1.339   1.672
   81    HB   THR  15           HB       THR  15  -2.690  -0.896   1.985
   82    HG1  THR  15           1HG      THR  15  -4.656  -1.182   1.149
   83   HG21  THR  15          3HG2      THR  15  -4.434   1.618   2.440
   84   HG22  THR  15          1HG2      THR  15  -3.078   1.084   3.501
   85   HG23  THR  15          2HG2      THR  15  -4.549   0.058   3.334
   86    H    ALA  16           H        ALA  16  -0.643  -1.138   1.367
   87    HA   ALA  16           HA       ALA  16  -0.629  -1.974  -1.393
   88    HB1  ALA  16           1HB      ALA  16   1.979  -1.538   0.186
   89    HB2  ALA  16           2HB      ALA  16   1.529  -0.737  -1.354
   90    HB3  ALA  16           3HB      ALA  16   1.856  -2.504  -1.337
   91    H    TRP  17           H        TRP  17   0.148  -4.281  -1.455
   92    HA   TRP  17           HA       TRP  17  -1.109  -5.581   0.808
   93    HB2  TRP  17           2HB      TRP  17  -0.209  -6.632  -1.938
   94    HB3  TRP  17           1HB      TRP  17  -1.050  -7.605  -0.677
   95    HD1  TRP  17           HD       TRP  17  -3.355  -5.503   0.140
   96    HE1  TRP  17           1HE      TRP  17  -5.227  -4.928  -1.497
   97    HE3  TRP  17           3HE      TRP  17  -1.003  -6.905  -4.156
   98    HZ2  TRP  17           2HZ      TRP  17  -5.668  -5.102  -4.331
   99    HZ3  TRP  17           3HZ      TRP  17  -2.190  -6.665  -6.311
  100    HH2  TRP  17           HH       TRP  17  -4.491  -5.778  -6.398
  101    H    ILE  18           H        ILE  18   1.712  -6.572  -1.236
  102    HA   ILE  18           HA       ILE  18   3.060  -7.452   1.197
  103    HB   ILE  18           HB       ILE  18   3.882  -7.875  -1.719
  104   HG12  ILE  18          2HG1      ILE  18   3.267 -10.363  -0.856
  105   HG13  ILE  18          1HG1      ILE  18   2.083  -9.474   0.150
  106   HG21  ILE  18          1HG2      ILE  18   5.405  -9.600  -0.679
  107   HG22  ILE  18          2HG2      ILE  18   4.894  -9.051   0.959
  108   HG23  ILE  18          3HG2      ILE  18   5.804  -7.939  -0.133
  109   HD11  ILE  18          3HD1      ILE  18   1.092 -10.258  -2.017
  110   HD12  ILE  18          1HD1      ILE  18   2.354  -9.360  -2.939
  111   HD13  ILE  18          2HD1      ILE  18   1.120  -8.460  -1.987
  112    H    CYS  19           H        CYS  19   4.665  -6.239   2.076
  113    HA   CYS  19           HA       CYS  19   6.140  -4.389   0.339
  114    HB2  CYS  19           2HB      CYS  19   5.312  -3.896   3.268
  115    HB3  CYS  19           1HB      CYS  19   6.533  -2.931   2.372
  116    H    VAL  20           H        VAL  20   8.368  -4.054   1.247
  117    HA   VAL  20           HA       VAL  20   9.404  -6.605   2.094
  118    HB   VAL  20           HB       VAL  20  11.627  -5.572   1.750
  119   HG11  VAL  20          1HG1      VAL  20   9.639  -5.237  -0.599
  120   HG12  VAL  20          2HG1      VAL  20  10.402  -6.785  -0.068
  121   HG13  VAL  20          3HG1      VAL  20  11.422  -5.450  -0.719
  122   HG21  VAL  20          3HG2      VAL  20  11.032  -3.197   2.349
  123   HG22  VAL  20          1HG2      VAL  20   9.992  -3.081   0.879
  124   HG23  VAL  20          2HG2      VAL  20  11.767  -3.305   0.714
  Start of MODEL    6
    1    H1   CYS   1           H        CYS   1  -0.105   0.873  -4.228
    2    HA   CYS   1           HA       CYS   1  -1.936   3.017  -3.439
    3    HB2  CYS   1           2HB      CYS   1  -0.831   2.524  -6.281
    4    HB3  CYS   1           1HB      CYS   1  -2.262   3.551  -5.927
    5    H    VAL   2           H        VAL   2  -2.748   0.727  -2.589
    6    HA   VAL   2           HA       VAL   2  -4.744  -0.012  -4.592
    7    HB   VAL   2           HB       VAL   2  -4.793  -2.371  -3.773
    8   HG11  VAL   2          1HG1      VAL   2  -2.885  -3.150  -5.124
    9   HG12  VAL   2          2HG1      VAL   2  -2.125  -1.521  -5.065
   10   HG13  VAL   2          3HG1      VAL   2  -3.694  -1.754  -5.926
   11   HG21  VAL   2          3HG2      VAL   2  -2.788  -3.262  -2.566
   12   HG22  VAL   2          1HG2      VAL   2  -3.614  -2.014  -1.565
   13   HG23  VAL   2          2HG2      VAL   2  -2.102  -1.608  -2.468
   14    H    TRP   3           H        TRP   3  -6.380  -1.522  -2.991
   15    HA   TRP   3           HA       TRP   3  -6.737   0.065  -0.545
   16    HB2  TRP   3           2HB      TRP   3  -8.447   0.752  -2.258
   17    HB3  TRP   3           1HB      TRP   3  -8.933  -0.963  -2.448
   18    HD1  TRP   3           HD       TRP   3  -8.766   1.687   0.500
   19    HE1  TRP   3           1HE      TRP   3 -10.769   1.264   2.050
   20    HE3  TRP   3           3HE      TRP   3 -10.664  -2.422  -1.845
   21    HZ2  TRP   3           2HZ      TRP   3 -12.887  -0.650   2.272
   22    HZ3  TRP   3           3HZ      TRP   3 -12.655  -3.540  -0.901
   23    HH2  TRP   3           HH       TRP   3 -13.753  -2.667   1.128
   24    H    GLY   4           H        GLY   4  -7.240  -1.158   1.242
   25    HA2  GLY   4           2HA      GLY   4  -7.733  -2.874   2.499
   26    HA3  GLY   4           1HA      GLY   4  -8.177  -3.824   1.027
   27    H    GLY   5           H        GLY   5  -5.228  -2.378   2.569
   28    HA2  GLY   5           2HA      GLY   5  -3.835  -4.929   2.189
   29    HA3  GLY   5           1HA      GLY   5  -3.173  -3.347   1.605
   30    H    ASP   6           H        ASP   6  -1.613  -4.701   3.291
   31    HA   ASP   6           HA       ASP   6  -2.307  -4.228   6.036
   32    HB2  ASP   6           2HB      ASP   6   0.236  -5.447   4.774
   33    HB3  ASP   6           1HB      ASP   6  -0.198  -5.480   6.524
   34    H    CYS   7           H        CYS   7   0.032  -2.991   3.579
   35    HA   CYS   7           HA       CYS   7   1.171  -1.237   5.656
   36    HB2  CYS   7           2HB      CYS   7   2.593  -2.515   3.268
   37    HB3  CYS   7           1HB      CYS   7   3.327  -1.377   4.459
   38    H    THR   8           H        THR   8   2.653  -0.317   2.890
   39    HA   THR   8           HA       THR   8   0.568   1.512   2.015
   40    HB   THR   8           HB       THR   8   3.287   2.361   3.162
   41    HG1  THR   8           1HG      THR   8   0.674   2.690   4.188
   42   HG21  THR   8          3HG2      THR   8   2.354   4.694   2.935
   43   HG22  THR   8          1HG2      THR   8   0.883   4.030   2.132
   44   HG23  THR   8          2HG2      THR   8   2.499   3.889   1.342
   45    H    ASP   9           H        ASP   9   1.013   2.200  -0.188
   46    HA   ASP   9           HA       ASP   9   3.417   1.046  -1.391
   47    HB2  ASP   9           2HB      ASP   9   2.540   1.985  -3.591
   48    HB3  ASP   9           1HB      ASP   9   1.725   0.558  -2.892
   49    H    PHE  10           H        PHE  10   2.053   4.084  -2.441
   50    HA   PHE  10           HA       PHE  10   4.257   5.628  -1.297
   51    HB2  PHE  10           2HB      PHE  10   1.988   6.277  -3.301
   52    HB3  PHE  10           1HB      PHE  10   3.087   7.535  -2.626
   53    HD1  PHE  10           2HD      PHE  10   5.516   7.464  -3.154
   54    HD2  PHE  10           1HD      PHE  10   2.769   4.690  -4.954
   55    HE1  PHE  10           2HE      PHE  10   7.206   6.903  -4.873
   56    HE2  PHE  10           1HE      PHE  10   4.458   4.132  -6.672
   57    HZ   PHE  10           HZ       PHE  10   6.681   5.237  -6.635
   58    H    LEU  11           H        LEU  11   3.740   7.392   0.145
   59    HA   LEU  11           HA       LEU  11   1.500   6.741   1.821
   60    HB2  LEU  11           2HB      LEU  11   3.763   7.282   2.772
   61    HB3  LEU  11           1HB      LEU  11   3.629   8.934   2.092
   62    HG   LEU  11           HG       LEU  11   1.608   9.340   3.548
   63   HD11  LEU  11          1HD1      LEU  11   2.275   6.585   4.776
   64   HD12  LEU  11          2HD1      LEU  11   0.773   7.019   3.876
   65   HD13  LEU  11          3HD1      LEU  11   1.124   7.793   5.461
   66   HD21  LEU  11          3HD2      LEU  11   2.857   9.580   5.680
   67   HD22  LEU  11          1HD2      LEU  11   3.875  10.055   4.269
   68   HD23  LEU  11          2HD2      LEU  11   4.138   8.461   5.074
   69    H    GLY  12           H        GLY  12  -0.445   7.725   1.769
   70    HA2  GLY  12           2HA      GLY  12  -1.813   9.550   1.649
   71    HA3  GLY  12           1HA      GLY  12  -0.701  10.349   0.474
   72    H    CYS  13           H        CYS  13  -0.451   7.466  -0.755
   73    HA   CYS  13           HA       CYS  13  -2.516   7.921  -2.707
   74    HB2  CYS  13           2HB      CYS  13  -0.093   7.408  -3.275
   75    HB3  CYS  13           1HB      CYS  13  -0.323   5.759  -2.632
   76    H    GLY  14           H        GLY  14  -1.278   4.941  -1.010
   77    HA2  GLY  14           2HA      GLY  14  -3.798   4.284   0.051
   78    HA3  GLY  14           1HA      GLY  14  -3.474   3.401  -1.506
   79    H    THR  15           H        THR  15  -3.590   1.413   0.096
   80    HA   THR  15           HA       THR  15  -1.395   1.104   1.793
   81    HB   THR  15           HB       THR  15  -2.656  -1.076   2.092
   82    HG1  THR  15           1HG      THR  15  -4.619  -1.268   1.211
   83   HG21  THR  15          3HG2      THR  15  -4.279   1.526   2.479
   84   HG22  THR  15          1HG2      THR  15  -2.981   0.931   3.581
   85   HG23  THR  15          2HG2      THR  15  -4.498  -0.019   3.383
   86    H    ALA  16           H        ALA  16  -0.710  -1.531   1.507
   87    HA   ALA  16           HA       ALA  16  -0.535  -2.248  -1.265
   88    HB1  ALA  16           1HB      ALA  16   1.889  -2.757  -1.271
   89    HB2  ALA  16           2HB      ALA  16   2.065  -2.003   0.361
   90    HB3  ALA  16           3HB      ALA  16   1.622  -0.997  -1.064
   91    H    TRP  17           H        TRP  17  -0.158  -4.486  -1.516
   92    HA   TRP  17           HA       TRP  17  -1.168  -5.965   0.749
   93    HB2  TRP  17           2HB      TRP  17  -0.527  -6.838  -2.142
   94    HB3  TRP  17           1HB      TRP  17  -1.370  -7.834  -0.903
   95    HD1  TRP  17           HD       TRP  17  -3.511  -5.622   0.132
   96    HE1  TRP  17           1HE      TRP  17  -5.418  -4.888  -1.406
   97    HE3  TRP  17           3HE      TRP  17  -1.415  -6.961  -4.319
   98    HZ2  TRP  17           2HZ      TRP  17  -5.974  -4.899  -4.217
   99    HZ3  TRP  17           3HZ      TRP  17  -2.674  -6.565  -6.409
  100    HH2  TRP  17           HH       TRP  17  -4.921  -5.549  -6.360
  101    H    ILE  18           H        ILE  18   1.548  -6.207  -1.632
  102    HA   ILE  18           HA       ILE  18   3.187  -7.648   0.287
  103    HB   ILE  18           HB       ILE  18   3.846  -6.580  -2.505
  104   HG12  ILE  18          2HG1      ILE  18   3.093  -9.422  -1.574
  105   HG13  ILE  18          1HG1      ILE  18   2.050  -8.324  -2.538
  106   HG21  ILE  18          1HG2      ILE  18   5.368  -8.503  -0.606
  107   HG22  ILE  18          2HG2      ILE  18   5.861  -6.816  -1.012
  108   HG23  ILE  18          3HG2      ILE  18   5.871  -8.072  -2.284
  109   HD11  ILE  18          3HD1      ILE  18   3.765  -8.327  -4.390
  110   HD12  ILE  18          1HD1      ILE  18   3.073  -9.955  -4.040
  111   HD13  ILE  18          2HD1      ILE  18   4.727  -9.543  -3.465
  112    H    CYS  19           H        CYS  19   4.565  -6.534   1.659
  113    HA   CYS  19           HA       CYS  19   4.098  -3.705   1.745
  114    HB2  CYS  19           2HB      CYS  19   5.608  -5.613   3.613
  115    HB3  CYS  19           1HB      CYS  19   5.370  -3.861   3.935
  116    H    VAL  20           H        VAL  20   5.706  -2.101   1.958
  117    HA   VAL  20           HA       VAL  20   7.926  -2.551   0.183
  118    HB   VAL  20           HB       VAL  20   8.241  -0.096   0.339
  119   HG11  VAL  20          1HG1      VAL  20   6.154   0.472  -0.886
  120   HG12  VAL  20          2HG1      VAL  20   5.353  -1.020  -0.280
  121   HG13  VAL  20          3HG1      VAL  20   6.770  -1.148  -1.389
  122   HG21  VAL  20          3HG2      VAL  20   6.526   1.273   1.545
  123   HG22  VAL  20          1HG2      VAL  20   7.442   0.243   2.700
  124   HG23  VAL  20          2HG2      VAL  20   5.768  -0.214   2.212
  Start of MODEL    7
    1    H1   CYS   1           H        CYS   1  -0.342   1.194  -4.381
    2    HA   CYS   1           HA       CYS   1  -2.303   2.838  -3.082
    3    HB2  CYS   1           2HB      CYS   1  -0.983   4.378  -4.715
    4    HB3  CYS   1           1HB      CYS   1  -1.755   3.472  -6.047
    5    H    VAL   2           H        VAL   2  -2.799   0.531  -2.774
    6    HA   VAL   2           HA       VAL   2  -4.891  -0.080  -4.721
    7    HB   VAL   2           HB       VAL   2  -4.772  -2.495  -3.946
    8   HG11  VAL   2          1HG1      VAL   2  -2.313  -1.415  -5.468
    9   HG12  VAL   2          2HG1      VAL   2  -3.938  -1.751  -6.176
   10   HG13  VAL   2          3HG1      VAL   2  -2.946  -3.099  -5.507
   11   HG21  VAL   2          3HG2      VAL   2  -2.621  -3.290  -2.954
   12   HG22  VAL   2          1HG2      VAL   2  -3.389  -2.094  -1.853
   13   HG23  VAL   2          2HG2      VAL   2  -1.994  -1.615  -2.895
   14    H    TRP   3           H        TRP   3  -6.330  -1.783  -2.895
   15    HA   TRP   3           HA       TRP   3  -6.301  -0.301  -0.396
   16    HB2  TRP   3           2HB      TRP   3  -8.082   0.726  -1.920
   17    HB3  TRP   3           1HB      TRP   3  -8.919  -0.863  -1.897
   18    HD1  TRP   3           HD       TRP   3 -10.620  -1.077   0.168
   19    HE1  TRP   3           1HE      TRP   3 -10.988   0.173   2.389
   20    HE3  TRP   3           3HE      TRP   3  -6.608   2.063  -0.072
   21    HZ2  TRP   3           2HZ      TRP   3  -9.672   2.236   3.880
   22    HZ3  TRP   3           3HZ      TRP   3  -6.180   3.621   1.792
   23    HH2  TRP   3           HH       TRP   3  -7.692   3.713   3.742
   24    H    GLY   4           H        GLY   4  -7.015  -1.520   1.362
   25    HA2  GLY   4           2HA      GLY   4  -7.581  -3.336   2.497
   26    HA3  GLY   4           1HA      GLY   4  -7.774  -4.276   0.964
   27    H    GLY   5           H        GLY   5  -5.053  -2.336   2.360
   28    HA2  GLY   5           2HA      GLY   5  -3.348  -4.729   2.216
   29    HA3  GLY   5           1HA      GLY   5  -2.905  -3.083   1.615
   30    H    ASP   6           H        ASP   6  -1.318  -4.389   3.456
   31    HA   ASP   6           HA       ASP   6  -2.089  -3.592   6.120
   32    HB2  ASP   6           2HB      ASP   6  -1.105  -5.881   5.579
   33    HB3  ASP   6           1HB      ASP   6   0.415  -5.072   5.077
   34    H    CYS   7           H        CYS   7   0.232  -2.751   3.510
   35    HA   CYS   7           HA       CYS   7   1.579  -0.883   5.345
   36    HB2  CYS   7           2HB      CYS   7   3.593  -1.083   3.930
   37    HB3  CYS   7           1HB      CYS   7   3.126  -2.594   4.742
   38    H    THR   8           H        THR   8   2.873   0.191   2.706
   39    HA   THR   8           HA       THR   8   0.603   1.809   1.812
   40    HB   THR   8           HB       THR   8   3.246   2.933   2.889
   41    HG1  THR   8           1HG      THR   8   0.649   2.974   4.007
   42   HG21  THR   8          3HG2      THR   8   2.034   5.145   2.719
   43   HG22  THR   8          1HG2      THR   8   0.628   4.318   1.958
   44   HG23  THR   8          2HG2      THR   8   2.220   4.375   1.112
   45    H    ASP   9           H        ASP   9   0.868   2.506  -0.383
   46    HA   ASP   9           HA       ASP   9   3.347   1.670  -1.687
   47    HB2  ASP   9           2HB      ASP   9   2.263   2.526  -3.835
   48    HB3  ASP   9           1HB      ASP   9   1.642   1.010  -3.123
   49    H    PHE  10           H        PHE  10   1.601   4.528  -2.648
   50    HA   PHE  10           HA       PHE  10   3.713   6.311  -1.721
   51    HB2  PHE  10           2HB      PHE  10   1.168   6.786  -3.428
   52    HB3  PHE  10           1HB      PHE  10   2.372   8.061  -3.009
   53    HD1  PHE  10           1HD      PHE  10   4.813   7.674  -3.750
   54    HD2  PHE  10           2HD      PHE  10   1.519   5.380  -5.290
   55    HE1  PHE  10           1HE      PHE  10   6.187   7.003  -5.696
   56    HE2  PHE  10           2HE      PHE  10   2.894   4.711  -7.233
   57    HZ   PHE  10           HZ       PHE  10   5.232   5.519  -7.439
   58    H    LEU  11           H        LEU  11   3.172   8.053  -0.276
   59    HA   LEU  11           HA       LEU  11   1.119   7.322   1.613
   60    HB2  LEU  11           2HB      LEU  11   3.216   9.565   1.577
   61    HB3  LEU  11           1HB      LEU  11   1.935   9.431   2.828
   62    HG   LEU  11           HG       LEU  11   2.772   7.167   3.464
   63   HD11  LEU  11          1HD1      LEU  11   4.050   6.421   1.486
   64   HD12  LEU  11          2HD1      LEU  11   5.148   6.537   2.900
   65   HD13  LEU  11          3HD1      LEU  11   5.175   7.825   1.638
   66   HD21  LEU  11          3HD2      LEU  11   4.687   8.031   4.790
   67   HD22  LEU  11          1HD2      LEU  11   3.334   9.222   4.740
   68   HD23  LEU  11          2HD2      LEU  11   4.797   9.478   3.716
   69    H    GLY  12           H        GLY  12  -0.897   8.154   1.628
   70    HA2  GLY  12           2HA      GLY  12  -2.348   9.928   1.565
   71    HA3  GLY  12           1HA      GLY  12  -1.405  10.692   0.233
   72    H    CYS  13           H        CYS  13  -1.083   7.944  -1.062
   73    HA   CYS  13           HA       CYS  13  -3.447   8.209  -2.658
   74    HB2  CYS  13           2HB      CYS  13  -1.066   7.926  -3.534
   75    HB3  CYS  13           1HB      CYS  13  -1.138   6.213  -3.030
   76    H    GLY  14           H        GLY  14  -1.778   5.323  -1.119
   77    HA2  GLY  14           2HA      GLY  14  -4.149   4.496   0.147
   78    HA3  GLY  14           1HA      GLY  14  -3.892   3.617  -1.421
   79    H    THR  15           H        THR  15  -3.739   1.639   0.176
   80    HA   THR  15           HA       THR  15  -1.379   1.480   1.666
   81    HB   THR  15           HB       THR  15  -2.491  -0.771   2.106
   82    HG1  THR  15           1HG      THR  15  -3.751  -0.957   0.335
   83   HG21  THR  15          3HG2      THR  15  -4.225   0.213   3.597
   84   HG22  THR  15          1HG2      THR  15  -4.175   1.761   2.677
   85   HG23  THR  15          2HG2      THR  15  -2.737   1.228   3.628
   86    H    ALA  16           H        ALA  16  -0.414  -0.945   1.361
   87    HA   ALA  16           HA       ALA  16  -0.567  -1.840  -1.391
   88    HB1  ALA  16           1HB      ALA  16   2.107  -1.350   0.051
   89    HB2  ALA  16           2HB      ALA  16   1.562  -0.558  -1.463
   90    HB3  ALA  16           3HB      ALA  16   1.922  -2.318  -1.464
   91    H    TRP  17           H        TRP  17   0.266  -4.122  -1.488
   92    HA   TRP  17           HA       TRP  17  -0.857  -5.461   0.817
   93    HB2  TRP  17           2HB      TRP  17   0.034  -6.508  -1.937
   94    HB3  TRP  17           1HB      TRP  17  -0.753  -7.492  -0.652
   95    HD1  TRP  17           HD       TRP  17  -3.143  -5.473   0.156
   96    HE1  TRP  17           1HE      TRP  17  -5.064  -5.055  -1.481
   97    HE3  TRP  17           3HE      TRP  17  -0.755  -6.841  -4.135
   98    HZ2  TRP  17           2HZ      TRP  17  -5.509  -5.287  -4.303
   99    HZ3  TRP  17           3HZ      TRP  17  -1.968  -6.704  -6.284
  100    HH2  TRP  17           HH       TRP  17  -4.312  -5.938  -6.368
  101    H    ILE  18           H        ILE  18   1.938  -6.315  -1.314
  102    HA   ILE  18           HA       ILE  18   3.385  -7.196   1.064
  103    HB   ILE  18           HB       ILE  18   4.036  -7.581  -1.896
  104   HG12  ILE  18          2HG1      ILE  18   2.738  -9.503   0.139
  105   HG13  ILE  18          1HG1      ILE  18   1.905  -8.720  -1.245
  106   HG21  ILE  18          1HG2      ILE  18   5.693  -9.261  -0.998
  107   HG22  ILE  18          2HG2      ILE  18   5.226  -8.823   0.686
  108   HG23  ILE  18          3HG2      ILE  18   6.052  -7.624  -0.376
  109   HD11  ILE  18          3HD1      ILE  18   3.456  -9.904  -2.846
  110   HD12  ILE  18          1HD1      ILE  18   2.441 -11.019  -1.859
  111   HD13  ILE  18          2HD1      ILE  18   4.178 -10.794  -1.451
  112    H    CYS  19           H        CYS  19   4.913  -5.901   1.917
  113    HA   CYS  19           HA       CYS  19   6.340  -4.039   0.145
  114    HB2  CYS  19           2HB      CYS  19   5.567  -3.563   3.099
  115    HB3  CYS  19           1HB      CYS  19   6.756  -2.592   2.166
  116    H    VAL  20           H        VAL  20   6.240  -5.891   3.236
  117    HA   VAL  20           HA       VAL  20   9.114  -6.293   3.117
  118    HB   VAL  20           HB       VAL  20   7.112  -7.359   5.173
  119   HG11  VAL  20          1HG1      VAL  20   9.237  -8.672   5.025
  120   HG12  VAL  20          2HG1      VAL  20   9.208  -7.681   6.526
  121   HG13  VAL  20          3HG1      VAL  20  10.201  -7.149   5.119
  122   HG21  VAL  20          3HG2      VAL  20   8.892  -4.826   5.174
  123   HG22  VAL  20          1HG2      VAL  20   7.998  -5.475   6.598
  124   HG23  VAL  20          2HG2      VAL  20   7.088  -4.866   5.174
  Start of MODEL    8
    1    H1   CYS   1           H        CYS   1  -0.265   1.261  -4.326
    2    HA   CYS   1           HA       CYS   1  -2.282   3.221  -3.516
    3    HB2  CYS   1           2HB      CYS   1  -1.170   2.847  -6.371
    4    HB3  CYS   1           1HB      CYS   1  -2.686   3.733  -5.994
    5    H    VAL   2           H        VAL   2  -2.787   0.836  -2.667
    6    HA   VAL   2           HA       VAL   2  -4.787  -0.087  -4.587
    7    HB   VAL   2           HB       VAL   2  -4.549  -2.442  -3.726
    8   HG11  VAL   2          1HG1      VAL   2  -3.711  -1.749  -5.971
    9   HG12  VAL   2          2HG1      VAL   2  -2.684  -3.032  -5.230
   10   HG13  VAL   2          3HG1      VAL   2  -2.111  -1.326  -5.251
   11   HG21  VAL   2          3HG2      VAL   2  -2.384  -3.098  -2.676
   12   HG22  VAL   2          1HG2      VAL   2  -3.224  -1.898  -1.632
   13   HG23  VAL   2          2HG2      VAL   2  -1.837  -1.392  -2.676
   14    H    TRP   3           H        TRP   3  -6.131  -1.806  -2.770
   15    HA   TRP   3           HA       TRP   3  -6.313  -0.279  -0.307
   16    HB2  TRP   3           2HB      TRP   3  -8.080   0.648  -1.899
   17    HB3  TRP   3           1HB      TRP   3  -8.805  -0.992  -1.964
   18    HD1  TRP   3           HD       TRP   3 -10.686  -1.319  -0.082
   19    HE1  TRP   3           1HE      TRP   3 -11.312  -0.144   2.116
   20    HE3  TRP   3           3HE      TRP   3  -6.804   1.987   0.131
   21    HZ2  TRP   3           2HZ      TRP   3 -10.234   1.929   3.773
   22    HZ3  TRP   3           3HZ      TRP   3  -6.627   3.517   2.058
   23    HH2  TRP   3           HH       TRP   3  -8.320   3.494   3.856
   24    H    GLY   4           H        GLY   4  -6.902  -1.549   1.437
   25    HA2  GLY   4           2HA      GLY   4  -7.405  -3.376   2.577
   26    HA3  GLY   4           1HA      GLY   4  -7.659  -4.299   1.043
   27    H    GLY   5           H        GLY   5  -4.936  -2.468   2.590
   28    HA2  GLY   5           2HA      GLY   5  -3.236  -4.845   2.337
   29    HA3  GLY   5           1HA      GLY   5  -2.774  -3.222   1.674
   30    H    ASP   6           H        ASP   6  -1.075  -4.275   3.486
   31    HA   ASP   6           HA       ASP   6  -1.932  -3.619   6.171
   32    HB2  ASP   6           2HB      ASP   6   0.723  -4.820   5.165
   33    HB3  ASP   6           1HB      ASP   6   0.173  -4.729   6.878
   34    H    CYS   7           H        CYS   7   0.408  -2.545   3.660
   35    HA   CYS   7           HA       CYS   7   1.459  -0.553   5.553
   36    HB2  CYS   7           2HB      CYS   7   3.562  -0.575   4.210
   37    HB3  CYS   7           1HB      CYS   7   3.207  -2.086   5.070
   38    H    THR   8           H        THR   8   2.773   0.490   2.845
   39    HA   THR   8           HA       THR   8   0.465   2.025   1.910
   40    HB   THR   8           HB       THR   8   3.086   3.217   2.984
   41    HG1  THR   8           1HG      THR   8   1.884   3.960   4.639
   42   HG21  THR   8          3HG2      THR   8   1.847   5.412   2.716
   43   HG22  THR   8          1HG2      THR   8   0.466   4.536   1.956
   44   HG23  THR   8          2HG2      THR   8   2.073   4.589   1.141
   45    H    ASP   9           H        ASP   9   0.794   2.727  -0.312
   46    HA   ASP   9           HA       ASP   9   3.281   1.821  -1.549
   47    HB2  ASP   9           2HB      ASP   9   2.271   2.618  -3.742
   48    HB3  ASP   9           1HB      ASP   9   1.610   1.132  -3.002
   49    H    PHE  10           H        PHE  10   1.586   4.661  -2.628
   50    HA   PHE  10           HA       PHE  10   3.665   6.462  -1.665
   51    HB2  PHE  10           2HB      PHE  10   1.228   6.749  -3.545
   52    HB3  PHE  10           1HB      PHE  10   2.158   8.175  -2.967
   53    HD1  PHE  10           1HD      PHE  10   4.483   8.517  -3.693
   54    HD2  PHE  10           2HD      PHE  10   2.225   5.141  -5.105
   55    HE1  PHE  10           1HE      PHE  10   6.155   8.142  -5.478
   56    HE2  PHE  10           2HE      PHE  10   3.896   4.771  -6.890
   57    HZ   PHE  10           HZ       PHE  10   5.865   6.269  -7.079
   58    H    LEU  11           H        LEU  11   3.108   8.217  -0.268
   59    HA   LEU  11           HA       LEU  11   1.060   7.505   1.613
   60    HB2  LEU  11           2HB      LEU  11   3.400   8.267   2.202
   61    HB3  LEU  11           1HB      LEU  11   2.971   9.915   1.665
   62    HG   LEU  11           HG       LEU  11   1.405   8.373   3.828
   63   HD11  LEU  11          1HD1      LEU  11   3.796   8.413   4.496
   64   HD12  LEU  11          2HD1      LEU  11   2.806   9.482   5.558
   65   HD13  LEU  11          3HD1      LEU  11   3.846  10.203   4.273
   66   HD21  LEU  11          3HD2      LEU  11   0.839  10.669   4.706
   67   HD22  LEU  11          1HD2      LEU  11   0.202  10.405   3.050
   68   HD23  LEU  11          2HD2      LEU  11   1.682  11.407   3.292
   69    H    GLY  12           H        GLY  12  -0.991   8.188   1.410
   70    HA2  GLY  12           2HA      GLY  12  -2.665   9.647   1.173
   71    HA3  GLY  12           1HA      GLY  12  -1.571  10.834   0.361
   72    H    CYS  13           H        CYS  13  -2.011   7.343  -0.339
   73    HA   CYS  13           HA       CYS  13  -3.448   7.976  -2.794
   74    HB2  CYS  13           2HB      CYS  13  -0.939   7.778  -3.309
   75    HB3  CYS  13           1HB      CYS  13  -0.993   6.098  -2.704
   76    H    GLY  14           H        GLY  14  -1.847   5.181  -1.117
   77    HA2  GLY  14           2HA      GLY  14  -4.259   4.237  -0.023
   78    HA3  GLY  14           1HA      GLY  14  -3.849   3.383  -1.576
   79    H    THR  15           H        THR  15  -3.704   1.416   0.080
   80    HA   THR  15           HA       THR  15  -1.446   1.403   1.711
   81    HB   THR  15           HB       THR  15  -2.422  -0.890   2.105
   82    HG1  THR  15           1HG      THR  15  -4.339  -1.382   1.239
   83   HG21  THR  15          3HG2      THR  15  -3.024   1.115   3.514
   84   HG22  THR  15          1HG2      THR  15  -4.390  -0.049   3.363
   85   HG23  THR  15          2HG2      THR  15  -4.396   1.471   2.399
   86    H    ALA  16           H        ALA  16  -0.474  -1.154   1.426
   87    HA   ALA  16           HA       ALA  16  -0.259  -1.823  -1.371
   88    HB1  ALA  16           1HB      ALA  16   1.807  -0.494  -1.180
   89    HB2  ALA  16           2HB      ALA  16   2.222  -2.241  -1.249
   90    HB3  ALA  16           3HB      ALA  16   2.256  -1.358   0.325
   91    H    TRP  17           H        TRP  17   0.226  -4.028  -1.661
   92    HA   TRP  17           HA       TRP  17  -0.725  -5.615   0.563
   93    HB2  TRP  17           2HB      TRP  17  -0.087  -6.341  -2.367
   94    HB3  TRP  17           1HB      TRP  17  -0.820  -7.450  -1.155
   95    HD1  TRP  17           HD       TRP  17  -3.062  -5.342   0.015
   96    HE1  TRP  17           1HE      TRP  17  -5.097  -4.818  -1.448
   97    HE3  TRP  17           3HE      TRP  17  -1.078  -6.638  -4.501
   98    HZ2  TRP  17           2HZ      TRP  17  -5.778  -4.943  -4.225
   99    HZ3  TRP  17           3HZ      TRP  17  -2.462  -6.406  -6.535
  100    HH2  TRP  17           HH       TRP  17  -4.779  -5.571  -6.401
  101    H    ILE  18           H        ILE  18   2.053  -5.479  -1.749
  102    HA   ILE  18           HA       ILE  18   3.566  -7.360  -0.179
  103    HB   ILE  18           HB       ILE  18   4.426  -5.650  -2.560
  104   HG12  ILE  18          2HG1      ILE  18   3.436  -8.569  -2.435
  105   HG13  ILE  18          1HG1      ILE  18   2.527  -7.180  -3.121
  106   HG21  ILE  18          1HG2      ILE  18   6.334  -6.425  -1.103
  107   HG22  ILE  18          2HG2      ILE  18   6.336  -7.295  -2.664
  108   HG23  ILE  18          3HG2      ILE  18   5.712  -8.115  -1.186
  109   HD11  ILE  18          3HD1      ILE  18   4.345  -6.844  -4.840
  110   HD12  ILE  18          1HD1      ILE  18   3.527  -8.445  -4.955
  111   HD13  ILE  18          2HD1      ILE  18   5.167  -8.330  -4.226
  112    H    CYS  19           H        CYS  19   4.677  -6.754   1.579
  113    HA   CYS  19           HA       CYS  19   5.421  -3.925   1.911
  114    HB2  CYS  19           2HB      CYS  19   4.428  -5.904   4.062
  115    HB3  CYS  19           1HB      CYS  19   4.960  -4.209   4.344
  116    H    VAL  20           H        VAL  20   5.948  -7.363   2.866
  117    HA   VAL  20           HA       VAL  20   8.675  -6.816   3.596
  118    HB   VAL  20           HB       VAL  20   7.438  -8.360   4.953
  119   HG11  VAL  20          1HG1      VAL  20   5.810  -9.219   3.248
  120   HG12  VAL  20          2HG1      VAL  20   6.643 -10.546   4.129
  121   HG13  VAL  20          3HG1      VAL  20   7.136 -10.148   2.448
  122   HG21  VAL  20          3HG2      VAL  20   9.911  -8.626   4.654
  123   HG22  VAL  20          1HG2      VAL  20   9.629  -9.793   3.306
  124   HG23  VAL  20          2HG2      VAL  20   9.090 -10.199   4.975
  Start of MODEL    9
    1    H1   CYS   1           H        CYS   1  -0.243   1.204  -4.445
    2    HA   CYS   1           HA       CYS   1  -2.246   3.189  -3.646
    3    HB2  CYS   1           2HB      CYS   1  -1.089   2.787  -6.480
    4    HB3  CYS   1           1HB      CYS   1  -2.611   3.681  -6.142
    5    H    VAL   2           H        VAL   2  -2.819   0.837  -2.795
    6    HA   VAL   2           HA       VAL   2  -4.876   0.009  -4.686
    7    HB   VAL   2           HB       VAL   2  -4.751  -2.360  -3.813
    8   HG11  VAL   2          1HG1      VAL   2  -2.301  -1.384  -5.415
    9   HG12  VAL   2          2HG1      VAL   2  -3.942  -1.723  -6.085
   10   HG13  VAL   2          3HG1      VAL   2  -2.964  -3.055  -5.367
   11   HG21  VAL   2          3HG2      VAL   2  -3.334  -1.869  -1.760
   12   HG22  VAL   2          1HG2      VAL   2  -1.953  -1.455  -2.852
   13   HG23  VAL   2          2HG2      VAL   2  -2.596  -3.128  -2.815
   14    H    TRP   3           H        TRP   3  -6.296  -1.612  -2.824
   15    HA   TRP   3           HA       TRP   3  -6.291  -0.071  -0.365
   16    HB2  TRP   3           2HB      TRP   3  -8.037   0.954  -1.928
   17    HB3  TRP   3           1HB      TRP   3  -8.889  -0.626  -1.908
   18    HD1  TRP   3           HD       TRP   3 -10.652  -0.792   0.111
   19    HE1  TRP   3           1HE      TRP   3 -11.069   0.498   2.299
   20    HE3  TRP   3           3HE      TRP   3  -6.590   2.291  -0.054
   21    HZ2  TRP   3           2HZ      TRP   3  -9.770   2.565   3.799
   22    HZ3  TRP   3           3HZ      TRP   3  -6.198   3.874   1.796
   23    HH2  TRP   3           HH       TRP   3  -7.768   4.014   3.697
   24    H    GLY   4           H        GLY   4  -6.962  -1.276   1.408
   25    HA2  GLY   4           2HA      GLY   4  -7.565  -3.054   2.574
   26    HA3  GLY   4           1HA      GLY   4  -7.893  -3.975   1.053
   27    H    GLY   5           H        GLY   5  -5.027  -2.296   2.505
   28    HA2  GLY   5           2HA      GLY   5  -3.503  -4.793   2.258
   29    HA3  GLY   5           1HA      GLY   5  -2.943  -3.191   1.630
   30    H    ASP   6           H        ASP   6  -1.304  -4.450   3.315
   31    HA   ASP   6           HA       ASP   6  -1.936  -3.856   6.066
   32    HB2  ASP   6           2HB      ASP   6   0.535  -5.176   4.764
   33    HB3  ASP   6           1HB      ASP   6   0.198  -5.100   6.535
   34    H    CYS   7           H        CYS   7   0.267  -2.777   3.445
   35    HA   CYS   7           HA       CYS   7   1.551  -0.924   5.339
   36    HB2  CYS   7           2HB      CYS   7   3.599  -1.060   3.941
   37    HB3  CYS   7           1HB      CYS   7   3.172  -2.576   4.761
   38    H    THR   8           H        THR   8   2.851   0.189   2.710
   39    HA   THR   8           HA       THR   8   0.553   1.782   1.832
   40    HB   THR   8           HB       THR   8   3.209   2.908   2.879
   41    HG1  THR   8           1HG      THR   8   2.065   3.590   4.601
   42   HG21  THR   8          3HG2      THR   8   1.975   5.116   2.731
   43   HG22  THR   8          1HG2      THR   8   0.558   4.274   2.001
   44   HG23  THR   8          2HG2      THR   8   2.129   4.349   1.120
   45    H    ASP   9           H        ASP   9   0.832   2.540  -0.377
   46    HA   ASP   9           HA       ASP   9   3.303   1.670  -1.682
   47    HB2  ASP   9           2HB      ASP   9   2.285   2.571  -3.829
   48    HB3  ASP   9           1HB      ASP   9   1.634   1.052  -3.153
   49    H    PHE  10           H        PHE  10   1.611   4.586  -2.602
   50    HA   PHE  10           HA       PHE  10   3.700   6.293  -1.460
   51    HB2  PHE  10           2HB      PHE  10   1.387   6.802  -3.453
   52    HB3  PHE  10           1HB      PHE  10   2.404   8.120  -2.762
   53    HD1  PHE  10           1HD      PHE  10   4.831   8.215  -3.295
   54    HD2  PHE  10           2HD      PHE  10   2.266   5.299  -5.135
   55    HE1  PHE  10           1HE      PHE  10   6.549   7.793  -5.025
   56    HE2  PHE  10           2HE      PHE  10   3.983   4.880  -6.865
   57    HZ   PHE  10           HZ       PHE  10   6.128   6.125  -6.813
   58    H    LEU  11           H        LEU  11   3.060   7.949   0.039
   59    HA   LEU  11           HA       LEU  11   0.820   7.124   1.649
   60    HB2  LEU  11           2HB      LEU  11   3.034   7.744   2.675
   61    HB3  LEU  11           1HB      LEU  11   2.835   9.407   2.044
   62    HG   LEU  11           HG       LEU  11   0.758   9.665   3.457
   63   HD11  LEU  11          1HD1      LEU  11   0.037   7.296   3.694
   64   HD12  LEU  11          2HD1      LEU  11   0.311   8.036   5.310
   65   HD13  LEU  11          3HD1      LEU  11   1.538   6.912   4.618
   66   HD21  LEU  11          3HD2      LEU  11   2.967  10.473   4.258
   67   HD22  LEU  11          1HD2      LEU  11   3.294   8.870   5.019
   68   HD23  LEU  11          2HD2      LEU  11   1.942   9.901   5.627
   69    H    GLY  12           H        GLY  12  -1.169   8.016   1.554
   70    HA2  GLY  12           2HA      GLY  12  -2.594   9.823   1.437
   71    HA3  GLY  12           1HA      GLY  12  -1.507  10.631   0.245
   72    H    CYS  13           H        CYS  13  -1.094   7.805  -0.971
   73    HA   CYS  13           HA       CYS  13  -3.215   8.073  -2.893
   74    HB2  CYS  13           2HB      CYS  13  -0.768   7.698  -3.481
   75    HB3  CYS  13           1HB      CYS  13  -0.890   6.052  -2.801
   76    H    GLY  14           H        GLY  14  -1.763   5.241  -1.123
   77    HA2  GLY  14           2HA      GLY  14  -4.174   4.450   0.042
   78    HA3  GLY  14           1HA      GLY  14  -3.890   3.553  -1.517
   79    H    THR  15           H        THR  15  -3.748   1.569   0.103
   80    HA   THR  15           HA       THR  15  -1.417   1.455   1.633
   81    HB   THR  15           HB       THR  15  -2.449  -0.824   2.018
   82    HG1  THR  15           1HG      THR  15  -4.420  -1.228   1.252
   83   HG21  THR  15          3HG2      THR  15  -2.894   1.158   3.515
   84   HG22  THR  15          1HG2      THR  15  -4.310   0.051   3.411
   85   HG23  THR  15          2HG2      THR  15  -4.312   1.599   2.490
   86    H    ALA  16           H        ALA  16  -0.387  -0.941   1.319
   87    HA   ALA  16           HA       ALA  16  -0.472  -1.842  -1.430
   88    HB1  ALA  16           1HB      ALA  16   2.165  -1.400   0.092
   89    HB2  ALA  16           2HB      ALA  16   1.694  -0.622  -1.452
   90    HB3  ALA  16           3HB      ALA  16   2.002  -2.392  -1.408
   91    H    TRP  17           H        TRP  17   0.251  -4.171  -1.445
   92    HA   TRP  17           HA       TRP  17  -1.029  -5.370   0.854
   93    HB2  TRP  17           2HB      TRP  17  -0.079  -6.549  -1.829
   94    HB3  TRP  17           1HB      TRP  17  -0.953  -7.459  -0.545
   95    HD1  TRP  17           HD       TRP  17  -3.243  -5.313   0.156
   96    HE1  TRP  17           1HE      TRP  17  -5.088  -4.775  -1.512
   97    HE3  TRP  17           3HE      TRP  17  -0.862  -6.895  -4.059
   98    HZ2  TRP  17           2HZ      TRP  17  -5.510  -5.062  -4.346
   99    HZ3  TRP  17           3HZ      TRP  17  -2.028  -6.729  -6.232
  100    HH2  TRP  17           HH       TRP  17  -4.319  -5.827  -6.375
  101    H    ILE  18           H        ILE  18   1.851  -6.393  -1.095
  102    HA   ILE  18           HA       ILE  18   3.215  -7.022   1.419
  103    HB   ILE  18           HB       ILE  18   4.913  -8.128   0.003
  104   HG12  ILE  18          2HG1      ILE  18   2.894  -7.653  -2.294
  105   HG13  ILE  18          1HG1      ILE  18   4.484  -6.833  -2.126
  106   HG21  ILE  18          1HG2      ILE  18   3.507 -10.134  -0.354
  107   HG22  ILE  18          2HG2      ILE  18   2.009  -9.134  -0.339
  108   HG23  ILE  18          3HG2      ILE  18   3.008  -9.293   1.155
  109   HD11  ILE  18          3HD1      ILE  18   5.645  -9.068  -2.252
  110   HD12  ILE  18          1HD1      ILE  18   4.686  -8.680  -3.728
  111   HD13  ILE  18          2HD1      ILE  18   4.048  -9.861  -2.530
  112    H    CYS  19           H        CYS  19   5.253  -6.142   1.871
  113    HA   CYS  19           HA       CYS  19   6.303  -4.086   0.114
  114    HB2  CYS  19           2HB      CYS  19   5.660  -3.622   3.106
  115    HB3  CYS  19           1HB      CYS  19   6.839  -2.647   2.167
  116    H    VAL  20           H        VAL  20   6.519  -5.895   3.227
  117    HA   VAL  20           HA       VAL  20   9.376  -6.180   2.907
  118    HB   VAL  20           HB       VAL  20   9.268  -7.393   5.067
  119   HG11  VAL  20          1HG1      VAL  20   7.866  -4.634   5.032
  120   HG12  VAL  20          2HG1      VAL  20   9.645  -4.920   4.922
  121   HG13  VAL  20          3HG1      VAL  20   8.746  -5.377   6.416
  122   HG21  VAL  20          3HG2      VAL  20   7.124  -7.411   6.345
  123   HG22  VAL  20          1HG2      VAL  20   6.950  -8.362   4.831
  124   HG23  VAL  20          2HG2      VAL  20   6.242  -6.708   4.947
  Start of MODEL   10
    1    H1   CYS   1           H        CYS   1  -0.354   1.196  -4.398
    2    HA   CYS   1           HA       CYS   1  -2.315   2.838  -3.097
    3    HB2  CYS   1           2HB      CYS   1  -0.991   4.385  -4.721
    4    HB3  CYS   1           1HB      CYS   1  -1.755   3.481  -6.058
    5    H    VAL   2           H        VAL   2  -2.768   0.504  -2.815
    6    HA   VAL   2           HA       VAL   2  -4.888  -0.092  -4.736
    7    HB   VAL   2           HB       VAL   2  -4.748  -2.513  -3.975
    8   HG11  VAL   2          1HG1      VAL   2  -2.949  -3.098  -5.576
    9   HG12  VAL   2          2HG1      VAL   2  -2.326  -1.409  -5.540
   10   HG13  VAL   2          3HG1      VAL   2  -3.963  -1.752  -6.217
   11   HG21  VAL   2          3HG2      VAL   2  -1.952  -1.625  -2.973
   12   HG22  VAL   2          1HG2      VAL   2  -2.575  -3.303  -3.029
   13   HG23  VAL   2          2HG2      VAL   2  -3.326  -2.114  -1.906
   14    H    TRP   3           H        TRP   3  -6.306  -1.807  -2.907
   15    HA   TRP   3           HA       TRP   3  -6.254  -0.333  -0.401
   16    HB2  TRP   3           2HB      TRP   3  -8.043   0.699  -1.915
   17    HB3  TRP   3           1HB      TRP   3  -8.883  -0.887  -1.886
   18    HD1  TRP   3           HD       TRP   3 -10.575  -1.093   0.186
   19    HE1  TRP   3           1HE      TRP   3 -10.923   0.153   2.411
   20    HE3  TRP   3           3HE      TRP   3  -6.550   2.029  -0.071
   21    HZ2  TRP   3           2HZ      TRP   3  -9.588   2.206   3.900
   22    HZ3  TRP   3           3HZ      TRP   3  -6.100   3.579   1.796
   23    HH2  TRP   3           HH       TRP   3  -7.600   3.671   3.754
   24    H    GLY   4           H        GLY   4  -7.001  -1.539   1.358
   25    HA2  GLY   4           2HA      GLY   4  -7.570  -3.353   2.496
   26    HA3  GLY   4           1HA      GLY   4  -7.732  -4.304   0.967
   27    H    GLY   5           H        GLY   5  -5.028  -2.311   2.309
   28    HA2  GLY   5           2HA      GLY   5  -3.299  -4.692   2.191
   29    HA3  GLY   5           1HA      GLY   5  -2.879  -3.030   1.618
   30    H    ASP   6           H        ASP   6  -1.284  -4.353   3.442
   31    HA   ASP   6           HA       ASP   6  -2.054  -3.568   6.112
   32    HB2  ASP   6           2HB      ASP   6  -1.078  -5.862   5.565
   33    HB3  ASP   6           1HB      ASP   6   0.443  -5.055   5.060
   34    H    CYS   7           H        CYS   7   0.256  -2.730   3.495
   35    HA   CYS   7           HA       CYS   7   1.618  -0.867   5.323
   36    HB2  CYS   7           2HB      CYS   7   3.625  -1.074   3.901
   37    HB3  CYS   7           1HB      CYS   7   3.157  -2.585   4.711
   38    H    THR   8           H        THR   8   2.902   0.201   2.678
   39    HA   THR   8           HA       THR   8   0.638   1.843   1.807
   40    HB   THR   8           HB       THR   8   3.313   2.928   2.852
   41    HG1  THR   8           1HG      THR   8   2.175   3.651   4.560
   42   HG21  THR   8          3HG2      THR   8   2.269   4.371   1.072
   43   HG22  THR   8          1HG2      THR   8   2.126   5.157   2.674
   44   HG23  THR   8          2HG2      THR   8   0.694   4.337   1.950
   45    H    ASP   9           H        ASP   9   0.878   2.510  -0.401
   46    HA   ASP   9           HA       ASP   9   3.346   1.668  -1.725
   47    HB2  ASP   9           2HB      ASP   9   2.249   2.534  -3.865
   48    HB3  ASP   9           1HB      ASP   9   1.637   1.013  -3.156
   49    H    PHE  10           H        PHE  10   1.596   4.533  -2.670
   50    HA   PHE  10           HA       PHE  10   3.692   6.316  -1.695
   51    HB2  PHE  10           2HB      PHE  10   1.164   6.826  -3.421
   52    HB3  PHE  10           1HB      PHE  10   2.387   8.077  -2.983
   53    HD1  PHE  10           2HD      PHE  10   4.822   7.665  -3.732
   54    HD2  PHE  10           1HD      PHE  10   1.494   5.434  -5.294
   55    HE1  PHE  10           2HE      PHE  10   6.185   6.996  -5.686
   56    HE2  PHE  10           1HE      PHE  10   2.859   4.767  -7.246
   57    HZ   PHE  10           HZ       PHE  10   5.206   5.545  -7.444
   58    H    LEU  11           H        LEU  11   3.168   7.894  -0.093
   59    HA   LEU  11           HA       LEU  11   0.971   7.114   1.591
   60    HB2  LEU  11           2HB      LEU  11   3.230   7.674   2.540
   61    HB3  LEU  11           1HB      LEU  11   3.054   9.345   1.922
   62    HG   LEU  11           HG       LEU  11   1.036   9.655   3.409
   63   HD11  LEU  11          1HD1      LEU  11   0.605   8.031   5.269
   64   HD12  LEU  11          2HD1      LEU  11   1.778   6.875   4.535
   65   HD13  LEU  11          3HD1      LEU  11   0.259   7.304   3.662
   66   HD21  LEU  11          3HD2      LEU  11   3.294  10.395   4.133
   67   HD22  LEU  11          1HD2      LEU  11   3.602   8.781   4.879
   68   HD23  LEU  11          2HD2      LEU  11   2.303   9.847   5.537
   69    H    GLY  12           H        GLY  12  -1.009   8.018   1.525
   70    HA2  GLY  12           2HA      GLY  12  -2.335   9.942   1.547
   71    HA3  GLY  12           1HA      GLY  12  -1.333  10.643   0.219
   72    H    CYS  13           H        CYS  13  -1.089   7.940  -1.088
   73    HA   CYS  13           HA       CYS  13  -3.455   8.226  -2.678
   74    HB2  CYS  13           2HB      CYS  13  -1.081   7.942  -3.567
   75    HB3  CYS  13           1HB      CYS  13  -1.149   6.228  -3.059
   76    H    GLY  14           H        GLY  14  -1.784   5.352  -1.123
   77    HA2  GLY  14           2HA      GLY  14  -4.147   4.527   0.150
   78    HA3  GLY  14           1HA      GLY  14  -3.894   3.635  -1.413
   79    H    THR  15           H        THR  15  -3.730   1.672   0.194
   80    HA   THR  15           HA       THR  15  -1.347   1.517   1.656
   81    HB   THR  15           HB       THR  15  -2.465  -0.735   2.114
   82    HG1  THR  15           1HG      THR  15  -3.765  -0.903   0.373
   83   HG21  THR  15          3HG2      THR  15  -4.113   1.812   2.729
   84   HG22  THR  15          1HG2      THR  15  -2.661   1.265   3.647
   85   HG23  THR  15          2HG2      THR  15  -4.157   0.263   3.648
   86    H    ALA  16           H        ALA  16  -0.354  -0.877   1.340
   87    HA   ALA  16           HA       ALA  16  -0.577  -1.802  -1.405
   88    HB1  ALA  16           1HB      ALA  16   1.902  -2.313  -1.500
   89    HB2  ALA  16           2HB      ALA  16   2.118  -1.346   0.011
   90    HB3  ALA  16           3HB      ALA  16   1.571  -0.548  -1.499
   91    H    TRP  17           H        TRP  17   0.226  -4.099  -1.491
   92    HA   TRP  17           HA       TRP  17  -0.923  -5.399   0.819
   93    HB2  TRP  17           2HB      TRP  17  -0.006  -6.492  -1.911
   94    HB3  TRP  17           1HB      TRP  17  -0.816  -7.453  -0.624
   95    HD1  TRP  17           HD       TRP  17  -3.205  -5.405   0.121
   96    HE1  TRP  17           1HE      TRP  17  -5.101  -5.006  -1.548
   97    HE3  TRP  17           3HE      TRP  17  -0.765  -6.857  -4.113
   98    HZ2  TRP  17           2HZ      TRP  17  -5.509  -5.285  -4.370
   99    HZ3  TRP  17           3HZ      TRP  17  -1.949  -6.754  -6.278
  100    HH2  TRP  17           HH       TRP  17  -4.288  -5.979  -6.407
  101    H    ILE  18           H        ILE  18   1.895  -6.287  -1.271
  102    HA   ILE  18           HA       ILE  18   3.316  -7.137   1.140
  103    HB   ILE  18           HB       ILE  18   3.984  -7.605  -1.804
  104   HG12  ILE  18          2HG1      ILE  18   1.868  -8.732  -1.319
  105   HG13  ILE  18          1HG1      ILE  18   3.201  -9.909  -1.499
  106   HG21  ILE  18          1HG2      ILE  18   5.991  -7.698  -0.351
  107   HG22  ILE  18          2HG2      ILE  18   5.530  -9.363  -0.840
  108   HG23  ILE  18          3HG2      ILE  18   5.142  -8.773   0.819
  109   HD11  ILE  18          3HD1      ILE  18   1.692 -10.575   0.349
  110   HD12  ILE  18          1HD1      ILE  18   1.954  -9.007   1.187
  111   HD13  ILE  18          2HD1      ILE  18   3.319 -10.175   1.008
  112    H    CYS  19           H        CYS  19   4.909  -5.890   1.933
  113    HA   CYS  19           HA       CYS  19   6.324  -4.068   0.116
  114    HB2  CYS  19           2HB      CYS  19   5.597  -3.531   3.071
  115    HB3  CYS  19           1HB      CYS  19   6.781  -2.589   2.102
  116    H    VAL  20           H        VAL  20   6.244  -5.862   3.240
  117    HA   VAL  20           HA       VAL  20   9.113  -6.313   3.074
  118    HB   VAL  20           HB       VAL  20   7.141  -7.265   5.213
  119   HG11  VAL  20          1HG1      VAL  20  10.232  -7.122   5.076
  120   HG12  VAL  20          2HG1      VAL  20   9.236  -8.627   5.059
  121   HG13  VAL  20          3HG1      VAL  20   9.266  -7.585   6.525
  122   HG21  VAL  20          3HG2      VAL  20   8.973  -4.772   5.084
  123   HG22  VAL  20          1HG2      VAL  20   8.103  -5.353   6.552
  124   HG23  VAL  20          2HG2      VAL  20   7.168  -4.774   5.132
  Start of MODEL   11
    1    H1   CYS   1           H        CYS   1  -0.132   0.993  -4.154
    2    HA   CYS   1           HA       CYS   1  -2.105   2.721  -2.995
    3    HB2  CYS   1           2HB      CYS   1  -0.718   4.160  -4.667
    4    HB3  CYS   1           1HB      CYS   1  -1.469   3.200  -5.972
    5    H    VAL   2           H        VAL   2  -2.729   0.481  -2.562
    6    HA   VAL   2           HA       VAL   2  -4.607  -0.303  -4.672
    7    HB   VAL   2           HB       VAL   2  -4.523  -2.662  -3.794
    8   HG11  VAL   2          1HG1      VAL   2  -3.410  -1.982  -5.921
    9   HG12  VAL   2          2HG1      VAL   2  -2.510  -3.292  -5.072
   10   HG13  VAL   2          3HG1      VAL   2  -1.897  -1.599  -5.016
   11   HG21  VAL   2          3HG2      VAL   2  -1.944  -1.659  -2.410
   12   HG22  VAL   2          1HG2      VAL   2  -2.494  -3.358  -2.503
   13   HG23  VAL   2          2HG2      VAL   2  -3.451  -2.166  -1.555
   14    H    TRP   3           H        TRP   3  -6.164  -1.973  -3.008
   15    HA   TRP   3           HA       TRP   3  -6.776  -0.271  -0.695
   16    HB2  TRP   3           2HB      TRP   3  -8.440   0.179  -2.531
   17    HB3  TRP   3           1HB      TRP   3  -8.799  -1.577  -2.620
   18    HD1  TRP   3           HD       TRP   3  -8.950   1.277   0.132
   19    HE1  TRP   3           1HE      TRP   3 -10.988   0.820   1.627
   20    HE3  TRP   3           3HE      TRP   3 -10.454  -3.111  -1.984
   21    HZ2  TRP   3           2HZ      TRP   3 -12.980  -1.219   1.900
   22    HZ3  TRP   3           3HZ      TRP   3 -12.406  -4.297  -1.044
   23    HH2  TRP   3           HH       TRP   3 -13.654  -3.366   0.869
   24    H    GLY   4           H        GLY   4  -7.247  -1.406   1.143
   25    HA2  GLY   4           2HA      GLY   4  -7.777  -3.069   2.464
   26    HA3  GLY   4           1HA      GLY   4  -7.977  -4.160   1.038
   27    H    GLY   5           H        GLY   5  -5.279  -2.273   2.572
   28    HA2  GLY   5           2HA      GLY   5  -3.696  -4.740   2.702
   29    HA3  GLY   5           1HA      GLY   5  -3.098  -3.200   1.960
   30    H    ASP   6           H        ASP   6  -1.680  -4.268   4.035
   31    HA   ASP   6           HA       ASP   6  -2.632  -3.130   6.527
   32    HB2  ASP   6           2HB      ASP   6  -1.737  -5.516   6.363
   33    HB3  ASP   6           1HB      ASP   6  -0.141  -4.846   5.889
   34    H    CYS   7           H        CYS   7  -0.134  -2.748   4.005
   35    HA   CYS   7           HA       CYS   7   1.295  -0.790   5.667
   36    HB2  CYS   7           2HB      CYS   7   3.271  -1.301   4.125
   37    HB3  CYS   7           1HB      CYS   7   2.752  -2.570   5.252
   38    H    THR   8           H        THR   8   2.678   0.192   3.124
   39    HA   THR   8           HA       THR   8   0.464   1.756   2.018
   40    HB   THR   8           HB       THR   8   3.008   2.919   3.288
   41    HG1  THR   8           1HG      THR   8   1.626   2.241   4.857
   42   HG21  THR   8          3HG2      THR   8   0.476   4.246   2.075
   43   HG22  THR   8          1HG2      THR   8   2.146   4.316   1.395
   44   HG23  THR   8          2HG2      THR   8   1.779   5.117   2.958
   45    H    ASP   9           H        ASP   9   0.903   2.435  -0.158
   46    HA   ASP   9           HA       ASP   9   3.428   1.494  -1.278
   47    HB2  ASP   9           2HB      ASP   9   2.486   2.214  -3.522
   48    HB3  ASP   9           1HB      ASP   9   1.742   0.790  -2.735
   49    H    PHE  10           H        PHE  10   1.813   4.312  -2.488
   50    HA   PHE  10           HA       PHE  10   3.942   6.110  -1.665
   51    HB2  PHE  10           2HB      PHE  10   1.416   6.434  -3.434
   52    HB3  PHE  10           1HB      PHE  10   2.559   7.779  -3.080
   53    HD1  PHE  10           1HD      PHE  10   5.004   7.497  -3.763
   54    HD2  PHE  10           2HD      PHE  10   1.908   4.848  -5.134
   55    HE1  PHE  10           1HE      PHE  10   6.464   6.745  -5.615
   56    HE2  PHE  10           2HE      PHE  10   3.369   4.098  -6.985
   57    HZ   PHE  10           HZ       PHE  10   5.649   5.045  -7.229
   58    H    LEU  11           H        LEU  11   3.366   8.113  -0.543
   59    HA   LEU  11           HA       LEU  11   1.536   7.559   1.587
   60    HB2  LEU  11           2HB      LEU  11   3.162  10.104   1.019
   61    HB3  LEU  11           1HB      LEU  11   2.333   9.694   2.561
   62    HG   LEU  11           HG       LEU  11   4.709   8.188   1.301
   63   HD11  LEU  11          1HD1      LEU  11   6.053   9.152   3.153
   64   HD12  LEU  11          2HD1      LEU  11   4.614  10.068   3.743
   65   HD13  LEU  11          3HD1      LEU  11   5.327  10.447   2.129
   66   HD21  LEU  11          3HD2      LEU  11   3.316   7.741   4.021
   67   HD22  LEU  11          1HD2      LEU  11   4.871   6.988   3.503
   68   HD23  LEU  11          2HD2      LEU  11   3.353   6.601   2.621
   69    H    GLY  12           H        GLY  12  -0.570   8.139   1.634
   70    HA2  GLY  12           2HA      GLY  12  -2.244   9.626   1.563
   71    HA3  GLY  12           1HA      GLY  12  -1.395  10.600   0.309
   72    H    CYS  13           H        CYS  13  -0.920   7.731  -1.013
   73    HA   CYS  13           HA       CYS  13  -3.190   8.049  -2.745
   74    HB2  CYS  13           2HB      CYS  13  -0.783   7.720  -3.512
   75    HB3  CYS  13           1HB      CYS  13  -0.900   6.015  -2.994
   76    H    GLY  14           H        GLY  14  -1.644   5.134  -1.150
   77    HA2  GLY  14           2HA      GLY  14  -4.094   4.360   0.020
   78    HA3  GLY  14           1HA      GLY  14  -3.766   3.464  -1.525
   79    H    THR  15           H        THR  15  -3.711   1.481   0.040
   80    HA   THR  15           HA       THR  15  -1.527   1.341   1.770
   81    HB   THR  15           HB       THR  15  -2.639  -0.910   2.108
   82    HG1  THR  15           1HG      THR  15  -4.562  -1.272   1.194
   83   HG21  THR  15          3HG2      THR  15  -4.452   1.581   2.392
   84   HG22  THR  15          1HG2      THR  15  -3.141   1.102   3.536
   85   HG23  THR  15          2HG2      THR  15  -4.587   0.048   3.327
   86    H    ALA  16           H        ALA  16  -0.620  -1.197   1.560
   87    HA   ALA  16           HA       ALA  16  -0.250  -1.890  -1.241
   88    HB1  ALA  16           1HB      ALA  16   2.181  -2.465  -0.850
   89    HB2  ALA  16           2HB      ALA  16   2.088  -1.608   0.737
   90    HB3  ALA  16           3HB      ALA  16   1.869  -0.700  -0.795
   91    H    TRP  17           H        TRP  17   0.486  -4.151  -1.403
   92    HA   TRP  17           HA       TRP  17  -0.547  -5.757   0.836
   93    HB2  TRP  17           2HB      TRP  17  -0.207  -6.451  -2.152
   94    HB3  TRP  17           1HB      TRP  17  -0.788  -7.575  -0.873
   95    HD1  TRP  17           HD       TRP  17  -2.916  -5.363   0.493
   96    HE1  TRP  17           1HE      TRP  17  -5.087  -4.898  -0.776
   97    HE3  TRP  17           3HE      TRP  17  -1.416  -6.886  -4.144
   98    HZ2  TRP  17           2HZ      TRP  17  -6.048  -5.119  -3.459
   99    HZ3  TRP  17           3HZ      TRP  17  -2.995  -6.703  -6.037
  100    HH2  TRP  17           HH       TRP  17  -5.279  -5.832  -5.700
  101    H    ILE  18           H        ILE  18   1.802  -5.986  -1.911
  102    HA   ILE  18           HA       ILE  18   3.736  -7.275  -0.171
  103    HB   ILE  18           HB       ILE  18   3.914  -6.558  -3.138
  104   HG12  ILE  18          2HG1      ILE  18   3.216  -9.230  -1.764
  105   HG13  ILE  18          1HG1      ILE  18   2.068  -8.182  -2.662
  106   HG21  ILE  18          1HG2      ILE  18   6.148  -6.758  -1.987
  107   HG22  ILE  18          2HG2      ILE  18   5.881  -8.140  -3.089
  108   HG23  ILE  18          3HG2      ILE  18   5.661  -8.357  -1.313
  109   HD11  ILE  18          3HD1      ILE  18   2.742 -10.025  -4.112
  110   HD12  ILE  18          1HD1      ILE  18   4.485  -9.658  -3.877
  111   HD13  ILE  18          2HD1      ILE  18   3.430  -8.492  -4.763
  112    H    CYS  19           H        CYS  19   5.267  -6.092   0.861
  113    HA   CYS  19           HA       CYS  19   6.097  -3.515  -0.146
  114    HB2  CYS  19           2HB      CYS  19   5.649  -2.484   2.202
  115    HB3  CYS  19           1HB      CYS  19   4.266  -2.653   1.077
  116    H    VAL  20           H        VAL  20   6.066  -5.647   2.762
  117    HA   VAL  20           HA       VAL  20   8.932  -5.369   3.024
  118    HB   VAL  20           HB       VAL  20   8.650  -6.761   5.058
  119   HG11  VAL  20          1HG1      VAL  20   8.537  -4.257   5.107
  120   HG12  VAL  20          2HG1      VAL  20   7.480  -5.004   6.360
  121   HG13  VAL  20          3HG1      VAL  20   6.751  -4.324   4.861
  122   HG21  VAL  20          3HG2      VAL  20   6.345  -7.291   5.860
  123   HG22  VAL  20          1HG2      VAL  20   6.666  -8.125   4.301
  124   HG23  VAL  20          2HG2      VAL  20   5.630  -6.648   4.342
  Start of MODEL   12
    1    H1   CYS   1           H        CYS   1  -0.438   0.974  -3.976
    2    HA   CYS   1           HA       CYS   1  -2.014   3.382  -3.327
    3    HB2  CYS   1           2HB      CYS   1  -1.064   2.314  -6.045
    4    HB3  CYS   1           1HB      CYS   1  -2.464   3.427  -5.903
    5    H    VAL   2           H        VAL   2  -1.986  -0.016  -3.507
    6    HA   VAL   2           HA       VAL   2  -4.643  -0.232  -4.644
    7    HB   VAL   2           HB       VAL   2  -4.446  -2.649  -4.095
    8   HG11  VAL   2          1HG1      VAL   2  -3.737  -1.708  -6.299
    9   HG12  VAL   2          2HG1      VAL   2  -2.721  -3.115  -5.814
   10   HG13  VAL   2          3HG1      VAL   2  -2.068  -1.443  -5.661
   11   HG21  VAL   2          3HG2      VAL   2  -2.236  -3.527  -3.312
   12   HG22  VAL   2          1HG2      VAL   2  -2.965  -2.462  -2.061
   13   HG23  VAL   2          2HG2      VAL   2  -1.617  -1.855  -3.100
   14    H    TRP   3           H        TRP   3  -6.333  -1.525  -3.231
   15    HA   TRP   3           HA       TRP   3  -6.193  -0.385  -0.522
   16    HB2  TRP   3           2HB      TRP   3  -7.786   0.790  -2.151
   17    HB3  TRP   3           1HB      TRP   3  -8.756  -0.720  -2.159
   18    HD1  TRP   3           HD       TRP   3 -10.603  -0.699  -0.188
   19    HE1  TRP   3           1HE      TRP   3 -10.927   0.591   2.008
   20    HE3  TRP   3           3HE      TRP   3  -6.242   1.958  -0.227
   21    HZ2  TRP   3           2HZ      TRP   3  -9.463   2.498   3.565
   22    HZ3  TRP   3           3HZ      TRP   3  -5.738   3.473   1.653
   23    HH2  TRP   3           HH       TRP   3  -7.324   3.744   3.524
   24    H    GLY   4           H        GLY   4  -7.158  -1.559   1.142
   25    HA2  GLY   4           2HA      GLY   4  -8.028  -3.349   2.152
   26    HA3  GLY   4           1HA      GLY   4  -7.969  -4.297   0.613
   27    H    GLY   5           H        GLY   5  -5.414  -2.339   2.252
   28    HA2  GLY   5           2HA      GLY   5  -3.790  -4.782   2.527
   29    HA3  GLY   5           1HA      GLY   5  -3.226  -3.185   1.885
   30    H    ASP   6           H        ASP   6  -1.855  -4.228   3.977
   31    HA   ASP   6           HA       ASP   6  -2.958  -3.098   6.434
   32    HB2  ASP   6           2HB      ASP   6  -2.179  -5.531   6.357
   33    HB3  ASP   6           1HB      ASP   6  -0.526  -4.948   5.971
   34    H    CYS   7           H        CYS   7  -0.264  -2.940   4.086
   35    HA   CYS   7           HA       CYS   7   1.188  -1.069   5.804
   36    HB2  CYS   7           2HB      CYS   7   3.152  -1.590   4.252
   37    HB3  CYS   7           1HB      CYS   7   2.559  -2.887   5.307
   38    H    THR   8           H        THR   8   2.582  -0.226   3.066
   39    HA   THR   8           HA       THR   8   0.508   1.631   2.183
   40    HB   THR   8           HB       THR   8   3.249   2.508   3.249
   41    HG1  THR   8           1HG      THR   8   2.157   3.345   4.935
   42   HG21  THR   8          3HG2      THR   8   2.198   4.819   3.043
   43   HG22  THR   8          1HG2      THR   8   0.752   4.077   2.269
   44   HG23  THR   8          2HG2      THR   8   2.360   4.011   1.452
   45    H    ASP   9           H        ASP   9   0.875   2.287  -0.018
   46    HA   ASP   9           HA       ASP   9   3.229   1.119  -1.293
   47    HB2  ASP   9           2HB      ASP   9   2.260   1.988  -3.468
   48    HB3  ASP   9           1HB      ASP   9   1.435   0.611  -2.685
   49    H    PHE  10           H        PHE  10   1.847   4.101  -2.371
   50    HA   PHE  10           HA       PHE  10   4.155   5.673  -1.534
   51    HB2  PHE  10           2HB      PHE  10   1.757   6.124  -3.432
   52    HB3  PHE  10           1HB      PHE  10   2.843   7.472  -2.952
   53    HD1  PHE  10           2HD      PHE  10   5.211   7.465  -3.664
   54    HD2  PHE  10           1HD      PHE  10   2.529   4.345  -4.905
   55    HE1  PHE  10           2HE      PHE  10   6.817   6.779  -5.418
   56    HE2  PHE  10           1HE      PHE  10   4.133   3.664  -6.660
   57    HZ   PHE  10           HZ       PHE  10   6.282   4.879  -6.919
   58    H    LEU  11           H        LEU  11   3.667   7.809  -0.535
   59    HA   LEU  11           HA       LEU  11   1.856   7.406   1.645
   60    HB2  LEU  11           2HB      LEU  11   3.583   9.852   0.948
   61    HB3  LEU  11           1HB      LEU  11   2.748   9.555   2.513
   62    HG   LEU  11           HG       LEU  11   5.033   7.869   1.316
   63   HD11  LEU  11          1HD1      LEU  11   5.779  10.136   2.003
   64   HD12  LEU  11          2HD1      LEU  11   6.450   8.867   3.094
   65   HD13  LEU  11          3HD1      LEU  11   5.069   9.889   3.644
   66   HD21  LEU  11          3HD2      LEU  11   3.607   6.440   2.745
   67   HD22  LEU  11          1HD2      LEU  11   3.663   7.659   4.075
   68   HD23  LEU  11          2HD2      LEU  11   5.161   6.787   3.576
   69    H    GLY  12           H        GLY  12  -0.232   8.030   1.663
   70    HA2  GLY  12           2HA      GLY  12  -1.915   9.481   1.526
   71    HA3  GLY  12           1HA      GLY  12  -1.004  10.499   0.353
   72    H    CYS  13           H        CYS  13  -0.613   7.447  -0.825
   73    HA   CYS  13           HA       CYS  13  -2.675   7.874  -2.803
   74    HB2  CYS  13           2HB      CYS  13  -0.239   7.344  -3.349
   75    HB3  CYS  13           1HB      CYS  13  -0.502   5.699  -2.706
   76    H    GLY  14           H        GLY  14  -1.434   5.033  -0.887
   77    HA2  GLY  14           2HA      GLY  14  -3.936   4.446   0.211
   78    HA3  GLY  14           1HA      GLY  14  -3.660   3.450  -1.285
   79    H    THR  15           H        THR  15  -3.755   1.552   0.442
   80    HA   THR  15           HA       THR  15  -1.467   1.278   2.010
   81    HB   THR  15           HB       THR  15  -2.774  -0.889   2.438
   82    HG1  THR  15           1HG      THR  15  -4.019  -0.958   0.658
   83   HG21  THR  15          3HG2      THR  15  -2.846   1.135   3.955
   84   HG22  THR  15          1HG2      THR  15  -4.426   0.277   3.903
   85   HG23  THR  15          2HG2      THR  15  -4.200   1.804   2.973
   86    H    ALA  16           H        ALA  16  -0.863  -1.415   1.716
   87    HA   ALA  16           HA       ALA  16  -0.689  -2.002  -1.119
   88    HB1  ALA  16           1HB      ALA  16   1.756  -2.616  -0.975
   89    HB2  ALA  16           2HB      ALA  16   1.813  -1.849   0.659
   90    HB3  ALA  16           3HB      ALA  16   1.478  -0.855  -0.799
   91    H    TRP  17           H        TRP  17   0.017  -4.223  -1.478
   92    HA   TRP  17           HA       TRP  17  -0.885  -5.978   0.691
   93    HB2  TRP  17           2HB      TRP  17  -0.523  -6.521  -2.326
   94    HB3  TRP  17           1HB      TRP  17  -1.128  -7.694  -1.103
   95    HD1  TRP  17           HD       TRP  17  -3.293  -5.638   0.335
   96    HE1  TRP  17           1HE      TRP  17  -5.407  -4.990  -0.958
   97    HE3  TRP  17           3HE      TRP  17  -1.663  -6.754  -4.371
   98    HZ2  TRP  17           2HZ      TRP  17  -6.284  -4.963  -3.679
   99    HZ3  TRP  17           3HZ      TRP  17  -3.178  -6.384  -6.286
  100    HH2  TRP  17           HH       TRP  17  -5.457  -5.503  -5.948
  101    H    ILE  18           H        ILE  18   1.440  -6.046  -2.083
  102    HA   ILE  18           HA       ILE  18   3.403  -7.399  -0.432
  103    HB   ILE  18           HB       ILE  18   3.519  -6.576  -3.373
  104   HG12  ILE  18          2HG1      ILE  18   2.843  -9.293  -2.077
  105   HG13  ILE  18          1HG1      ILE  18   1.681  -8.211  -2.915
  106   HG21  ILE  18          1HG2      ILE  18   5.305  -8.443  -1.657
  107   HG22  ILE  18          2HG2      ILE  18   5.778  -6.819  -2.281
  108   HG23  ILE  18          3HG2      ILE  18   5.484  -8.158  -3.427
  109   HD11  ILE  18          3HD1      ILE  18   2.999  -8.455  -5.053
  110   HD12  ILE  18          1HD1      ILE  18   2.320 -10.008  -4.440
  111   HD13  ILE  18          2HD1      ILE  18   4.071  -9.653  -4.228
  112    H    CYS  19           H        CYS  19   4.884  -6.231   0.677
  113    HA   CYS  19           HA       CYS  19   5.811  -3.678  -0.302
  114    HB2  CYS  19           2HB      CYS  19   5.282  -2.570   1.965
  115    HB3  CYS  19           1HB      CYS  19   3.876  -2.878   0.901
  116    H    VAL  20           H        VAL  20   7.576  -2.892   1.278
  117    HA   VAL  20           HA       VAL  20   9.248  -5.128   1.878
  118    HB   VAL  20           HB       VAL  20  10.213  -3.203   0.820
  119   HG11  VAL  20          1HG1      VAL  20   9.486  -1.588   3.353
  120   HG12  VAL  20          2HG1      VAL  20   8.705  -1.416   1.733
  121   HG13  VAL  20          3HG1      VAL  20  10.447  -1.021   1.945
  122   HG21  VAL  20          3HG2      VAL  20  12.173  -2.950   2.304
  123   HG22  VAL  20          1HG2      VAL  20  11.586  -4.654   2.332
  124   HG23  VAL  20          2HG2      VAL  20  11.235  -3.552   3.718
  Start of MODEL   13
    1    H1   CYS   1           H        CYS   1  -0.222   1.276  -4.404
    2    HA   CYS   1           HA       CYS   1  -2.295   3.183  -3.599
    3    HB2  CYS   1           2HB      CYS   1  -1.202   2.774  -6.457
    4    HB3  CYS   1           1HB      CYS   1  -2.758   3.593  -6.095
    5    H    VAL   2           H        VAL   2  -2.783   0.864  -2.665
    6    HA   VAL   2           HA       VAL   2  -4.784  -0.146  -4.524
    7    HB   VAL   2           HB       VAL   2  -4.517  -2.478  -3.575
    8   HG11  VAL   2          1HG1      VAL   2  -3.782  -1.869  -5.879
    9   HG12  VAL   2          2HG1      VAL   2  -2.723  -3.124  -5.133
   10   HG13  VAL   2          3HG1      VAL   2  -2.151  -1.420  -5.244
   11   HG21  VAL   2          3HG2      VAL   2  -2.301  -3.084  -2.599
   12   HG22  VAL   2          1HG2      VAL   2  -3.106  -1.852  -1.563
   13   HG23  VAL   2          2HG2      VAL   2  -1.768  -1.377  -2.682
   14    H    TRP   3           H        TRP   3  -6.077  -1.822  -2.597
   15    HA   TRP   3           HA       TRP   3  -6.202  -0.195  -0.198
   16    HB2  TRP   3           2HB      TRP   3  -7.996   0.675  -1.797
   17    HB3  TRP   3           1HB      TRP   3  -8.741  -0.956  -1.760
   18    HD1  TRP   3           HD       TRP   3 -10.535  -1.198   0.224
   19    HE1  TRP   3           1HE      TRP   3 -11.091   0.111   2.368
   20    HE3  TRP   3           3HE      TRP   3  -6.679   2.139   0.080
   21    HZ2  TRP   3           2HZ      TRP   3  -9.968   2.293   3.848
   22    HZ3  TRP   3           3HZ      TRP   3  -6.442   3.791   1.898
   23    HH2  TRP   3           HH       TRP   3  -8.064   3.871   3.756
   24    H    GLY   4           H        GLY   4  -6.686  -1.393   1.607
   25    HA2  GLY   4           2HA      GLY   4  -7.141  -3.158   2.854
   26    HA3  GLY   4           1HA      GLY   4  -7.555  -4.122   1.381
   27    H    GLY   5           H        GLY   5  -4.685  -2.430   2.821
   28    HA2  GLY   5           2HA      GLY   5  -3.076  -4.832   2.327
   29    HA3  GLY   5           1HA      GLY   5  -2.613  -3.195   1.707
   30    H    ASP   6           H        ASP   6  -0.760  -4.252   3.225
   31    HA   ASP   6           HA       ASP   6  -1.304  -3.943   6.029
   32    HB2  ASP   6           2HB      ASP   6   1.290  -4.774   4.572
   33    HB3  ASP   6           1HB      ASP   6   0.987  -4.875   6.345
   34    H    CYS   7           H        CYS   7   0.716  -2.345   3.468
   35    HA   CYS   7           HA       CYS   7   1.595  -0.419   5.517
   36    HB2  CYS   7           2HB      CYS   7   3.192  -1.502   3.144
   37    HB3  CYS   7           1HB      CYS   7   3.753  -0.255   4.319
   38    H    THR   8           H        THR   8   2.902   0.626   2.692
   39    HA   THR   8           HA       THR   8   0.561   2.137   1.834
   40    HB   THR   8           HB       THR   8   3.190   3.367   2.845
   41    HG1  THR   8           1HG      THR   8   2.018   4.104   4.524
   42   HG21  THR   8          3HG2      THR   8   2.111   4.716   1.022
   43   HG22  THR   8          1HG2      THR   8   1.923   5.543   2.596
   44   HG23  THR   8          2HG2      THR   8   0.529   4.651   1.883
   45    H    ASP   9           H        ASP   9   0.834   2.822  -0.404
   46    HA   ASP   9           HA       ASP   9   3.327   1.972  -1.675
   47    HB2  ASP   9           2HB      ASP   9   2.271   2.728  -3.858
   48    HB3  ASP   9           1HB      ASP   9   1.668   1.225  -3.104
   49    H    PHE  10           H        PHE  10   1.535   4.773  -2.734
   50    HA   PHE  10           HA       PHE  10   3.546   6.624  -1.701
   51    HB2  PHE  10           2HB      PHE  10   1.141   6.917  -3.628
   52    HB3  PHE  10           1HB      PHE  10   2.085   8.325  -3.019
   53    HD1  PHE  10           1HD      PHE  10   4.471   8.582  -3.647
   54    HD2  PHE  10           2HD      PHE  10   2.082   5.398  -5.269
   55    HE1  PHE  10           1HE      PHE  10   6.160   8.213  -5.421
   56    HE2  PHE  10           2HE      PHE  10   3.768   5.034  -7.042
   57    HZ   PHE  10           HZ       PHE  10   5.811   6.440  -7.119
   58    H    LEU  11           H        LEU  11   2.862   8.327  -0.264
   59    HA   LEU  11           HA       LEU  11   0.782   7.435   1.502
   60    HB2  LEU  11           2HB      LEU  11   2.989   8.281   2.359
   61    HB3  LEU  11           1HB      LEU  11   2.622   9.886   1.657
   62    HG   LEU  11           HG       LEU  11   0.616  10.063   3.179
   63   HD11  LEU  11          1HD1      LEU  11   0.404   8.511   5.136
   64   HD12  LEU  11          2HD1      LEU  11   1.676   7.447   4.430
   65   HD13  LEU  11          3HD1      LEU  11   0.100   7.663   3.580
   66   HD21  LEU  11          3HD2      LEU  11   1.898  10.510   5.257
   67   HD22  LEU  11          1HD2      LEU  11   2.795  11.081   3.800
   68   HD23  LEU  11          2HD2      LEU  11   3.290   9.553   4.623
   69    H    GLY  12           H        GLY  12  -1.274   8.161   1.500
   70    HA2  GLY  12           2HA      GLY  12  -2.865   9.799   1.395
   71    HA3  GLY  12           1HA      GLY  12  -1.906  10.697   0.160
   72    H    CYS  13           H        CYS  13  -1.332   7.840  -1.011
   73    HA   CYS  13           HA       CYS  13  -3.513   7.966  -2.885
   74    HB2  CYS  13           2HB      CYS  13  -1.067   7.754  -3.542
   75    HB3  CYS  13           1HB      CYS  13  -1.058   6.106  -2.855
   76    H    GLY  14           H        GLY  14  -1.832   5.223  -1.171
   77    HA2  GLY  14           2HA      GLY  14  -4.185   4.281   0.033
   78    HA3  GLY  14           1HA      GLY  14  -3.847   3.412  -1.528
   79    H    THR  15           H        THR  15  -3.612   1.447   0.089
   80    HA   THR  15           HA       THR  15  -1.320   1.452   1.672
   81    HB   THR  15           HB       THR  15  -2.261  -0.843   2.083
   82    HG1  THR  15           1HG      THR  15  -4.184  -1.366   1.255
   83   HG21  THR  15          3HG2      THR  15  -4.217  -0.032   3.373
   84   HG22  THR  15          1HG2      THR  15  -4.268   1.485   2.404
   85   HG23  THR  15          2HG2      THR  15  -2.870   1.156   3.496
   86    H    ALA  16           H        ALA  16  -0.302  -1.077   1.374
   87    HA   ALA  16           HA       ALA  16  -0.119  -1.737  -1.437
   88    HB1  ALA  16           1HB      ALA  16   1.972  -0.407  -1.171
   89    HB2  ALA  16           2HB      ALA  16   2.337  -2.155  -1.368
   90    HB3  ALA  16           3HB      ALA  16   2.418  -1.393   0.263
   91    H    TRP  17           H        TRP  17   0.221  -3.948  -1.744
   92    HA   TRP  17           HA       TRP  17  -0.638  -5.523   0.520
   93    HB2  TRP  17           2HB      TRP  17  -0.129  -6.257  -2.435
   94    HB3  TRP  17           1HB      TRP  17  -0.806  -7.367  -1.195
   95    HD1  TRP  17           HD       TRP  17  -2.960  -5.182   0.063
   96    HE1  TRP  17           1HE      TRP  17  -5.070  -4.686  -1.292
   97    HE3  TRP  17           3HE      TRP  17  -1.258  -6.673  -4.504
   98    HZ2  TRP  17           2HZ      TRP  17  -5.921  -4.920  -4.019
   99    HZ3  TRP  17           3HZ      TRP  17  -2.759  -6.508  -6.461
  100    HH2  TRP  17           HH       TRP  17  -5.059  -5.644  -6.224
  101    H    ILE  18           H        ILE  18   2.052  -5.417  -1.893
  102    HA   ILE  18           HA       ILE  18   3.590  -7.330  -0.388
  103    HB   ILE  18           HB       ILE  18   4.398  -5.627  -2.791
  104   HG12  ILE  18          2HG1      ILE  18   3.344  -8.523  -2.645
  105   HG13  ILE  18          1HG1      ILE  18   2.444  -7.110  -3.291
  106   HG21  ILE  18          1HG2      ILE  18   6.337  -6.455  -1.406
  107   HG22  ILE  18          2HG2      ILE  18   6.263  -7.317  -2.971
  108   HG23  ILE  18          3HG2      ILE  18   5.673  -8.129  -1.473
  109   HD11  ILE  18          3HD1      ILE  18   3.347  -8.386  -5.165
  110   HD12  ILE  18          1HD1      ILE  18   5.015  -8.311  -4.497
  111   HD13  ILE  18          2HD1      ILE  18   4.206  -6.803  -5.072
  112    H    CYS  19           H        CYS  19   4.707  -6.739   1.371
  113    HA   CYS  19           HA       CYS  19   6.002  -4.152   1.490
  114    HB2  CYS  19           2HB      CYS  19   3.728  -3.802   2.536
  115    HB3  CYS  19           1HB      CYS  19   4.033  -5.165   3.655
  116    H    VAL  20           H        VAL  20   5.123  -7.249   3.124
  117    HA   VAL  20           HA       VAL  20   7.738  -7.467   4.291
  118    HB   VAL  20           HB       VAL  20   5.849  -8.141   5.612
  119   HG11  VAL  20          1HG1      VAL  20   5.264 -10.288   3.465
  120   HG12  VAL  20          2HG1      VAL  20   4.267  -8.815   3.785
  121   HG13  VAL  20          3HG1      VAL  20   4.437 -10.085   5.046
  122   HG21  VAL  20          3HG2      VAL  20   7.572 -10.563   4.757
  123   HG22  VAL  20          1HG2      VAL  20   6.703 -10.351   6.318
  124   HG23  VAL  20          2HG2      VAL  20   8.074  -9.258   5.899
  Start of MODEL   14
    1    H1   CYS   1           H        CYS   1  -0.337   1.287  -4.492
    2    HA   CYS   1           HA       CYS   1  -2.332   3.239  -3.598
    3    HB2  CYS   1           2HB      CYS   1  -1.282   2.887  -6.480
    4    HB3  CYS   1           1HB      CYS   1  -2.795   3.765  -6.068
    5    H    VAL   2           H        VAL   2  -2.871   0.871  -2.757
    6    HA   VAL   2           HA       VAL   2  -4.966   0.054  -4.609
    7    HB   VAL   2           HB       VAL   2  -4.807  -2.325  -3.788
    8   HG11  VAL   2          1HG1      VAL   2  -3.058  -2.987  -5.392
    9   HG12  VAL   2          2HG1      VAL   2  -2.396  -1.313  -5.423
   10   HG13  VAL   2          3HG1      VAL   2  -4.052  -1.641  -6.064
   11   HG21  VAL   2          3HG2      VAL   2  -1.995  -1.428  -2.872
   12   HG22  VAL   2          1HG2      VAL   2  -2.631  -3.106  -2.854
   13   HG23  VAL   2          2HG2      VAL   2  -3.346  -1.872  -1.757
   14    H    TRP   3           H        TRP   3  -6.271  -1.660  -2.701
   15    HA   TRP   3           HA       TRP   3  -6.274  -0.105  -0.250
   16    HB2  TRP   3           2HB      TRP   3  -8.085   0.863  -1.765
   17    HB3  TRP   3           1HB      TRP   3  -8.876  -0.750  -1.756
   18    HD1  TRP   3           HD       TRP   3 -10.635  -0.986   0.254
   19    HE1  TRP   3           1HE      TRP   3 -11.083   0.253   2.464
   20    HE3  TRP   3           3HE      TRP   3  -6.655   2.205   0.141
   21    HZ2  TRP   3           2HZ      TRP   3  -9.839   2.326   4.000
   22    HZ3  TRP   3           3HZ      TRP   3  -6.306   3.768   2.019
   23    HH2  TRP   3           HH       TRP   3  -7.877   3.834   3.921
   24    H    GLY   4           H        GLY   4  -6.852  -1.326   1.539
   25    HA2  GLY   4           2HA      GLY   4  -7.466  -3.104   2.709
   26    HA3  GLY   4           1HA      GLY   4  -7.728  -4.054   1.193
   27    H    GLY   5           H        GLY   5  -4.944  -2.280   2.713
   28    HA2  GLY   5           2HA      GLY   5  -3.397  -4.763   2.703
   29    HA3  GLY   5           1HA      GLY   5  -2.807  -3.256   1.883
   30    H    ASP   6           H        ASP   6  -1.307  -4.343   3.925
   31    HA   ASP   6           HA       ASP   6  -2.051  -3.042   6.417
   32    HB2  ASP   6           2HB      ASP   6   0.310  -4.889   5.673
   33    HB3  ASP   6           1HB      ASP   6  -0.059  -4.291   7.335
   34    H    CYS   7           H        CYS   7   0.200  -2.810   3.685
   35    HA   CYS   7           HA       CYS   7   1.907  -0.932   5.147
   36    HB2  CYS   7           2HB      CYS   7   2.324  -2.533   2.578
   37    HB3  CYS   7           1HB      CYS   7   3.547  -1.410   3.284
   38    H    THR   8           H        THR   8   2.897   0.221   2.544
   39    HA   THR   8           HA       THR   8   0.591   1.831   1.756
   40    HB   THR   8           HB       THR   8   3.271   2.932   2.770
   41    HG1  THR   8           1HG      THR   8   2.155   3.610   4.513
   42   HG21  THR   8          3HG2      THR   8   0.621   4.326   1.936
   43   HG22  THR   8          1HG2      THR   8   2.184   4.397   1.040
   44   HG23  THR   8          2HG2      THR   8   2.051   5.149   2.659
   45    H    ASP   9           H        ASP   9   0.837   2.612  -0.448
   46    HA   ASP   9           HA       ASP   9   3.276   1.750  -1.814
   47    HB2  ASP   9           2HB      ASP   9   2.201   2.672  -3.930
   48    HB3  ASP   9           1HB      ASP   9   1.582   1.139  -3.261
   49    H    PHE  10           H        PHE  10   1.557   4.662  -2.684
   50    HA   PHE  10           HA       PHE  10   3.657   6.379  -1.582
   51    HB2  PHE  10           2HB      PHE  10   1.270   6.878  -3.490
   52    HB3  PHE  10           1HB      PHE  10   2.290   8.202  -2.821
   53    HD1  PHE  10           1HD      PHE  10   4.698   8.337  -3.430
   54    HD2  PHE  10           2HD      PHE  10   2.112   5.405  -5.217
   55    HE1  PHE  10           1HE      PHE  10   6.363   7.957  -5.222
   56    HE2  PHE  10           2HE      PHE  10   3.775   5.029  -7.008
   57    HZ   PHE  10           HZ       PHE  10   5.905   6.304  -7.014
   58    H    LEU  11           H        LEU  11   3.042   8.032  -0.061
   59    HA   LEU  11           HA       LEU  11   0.898   7.157   1.641
   60    HB2  LEU  11           2HB      LEU  11   3.137   7.842   2.565
   61    HB3  LEU  11           1HB      LEU  11   2.864   9.497   1.939
   62    HG   LEU  11           HG       LEU  11   0.846   9.703   3.445
   63   HD11  LEU  11          1HD1      LEU  11   0.531   8.071   5.321
   64   HD12  LEU  11          2HD1      LEU  11   1.759   6.979   4.580
   65   HD13  LEU  11          3HD1      LEU  11   0.207   7.314   3.723
   66   HD21  LEU  11          3HD2      LEU  11   3.065  10.578   4.139
   67   HD22  LEU  11          1HD2      LEU  11   3.473   8.990   4.891
   68   HD23  LEU  11          2HD2      LEU  11   2.122   9.984   5.557
   69    H    GLY  12           H        GLY  12  -1.117   7.994   1.645
   70    HA2  GLY  12           2HA      GLY  12  -2.605   9.740   1.600
   71    HA3  GLY  12           1HA      GLY  12  -1.589  10.611   0.390
   72    H    CYS  13           H        CYS  13  -1.151   7.802  -0.890
   73    HA   CYS  13           HA       CYS  13  -3.334   8.074  -2.743
   74    HB2  CYS  13           2HB      CYS  13  -0.901   7.770  -3.416
   75    HB3  CYS  13           1HB      CYS  13  -0.965   6.104  -2.775
   76    H    GLY  14           H        GLY  14  -1.773   5.220  -1.102
   77    HA2  GLY  14           2HA      GLY  14  -4.147   4.346   0.095
   78    HA3  GLY  14           1HA      GLY  14  -3.871   3.505  -1.494
   79    H    THR  15           H        THR  15  -3.689   1.488   0.080
   80    HA   THR  15           HA       THR  15  -1.353   1.369   1.594
   81    HB   THR  15           HB       THR  15  -2.371  -0.892   1.994
   82    HG1  THR  15           1HG      THR  15  -4.317  -1.346   1.190
   83   HG21  THR  15          3HG2      THR  15  -4.292  -0.026   3.316
   84   HG22  THR  15          1HG2      THR  15  -4.289   1.505   2.373
   85   HG23  THR  15          2HG2      THR  15  -2.895   1.103   3.445
   86    H    ALA  16           H        ALA  16  -0.331  -1.090   1.223
   87    HA   ALA  16           HA       ALA  16  -0.443  -1.865  -1.544
   88    HB1  ALA  16           1HB      ALA  16   1.614  -0.520  -1.677
   89    HB2  ALA  16           2HB      ALA  16   2.005  -2.268  -1.781
   90    HB3  ALA  16           3HB      ALA  16   2.296  -1.361  -0.251
   91    H    TRP  17           H        TRP  17   0.091  -4.079  -1.806
   92    HA   TRP  17           HA       TRP  17  -0.669  -5.552   0.570
   93    HB2  TRP  17           2HB      TRP  17  -0.361  -6.423  -2.372
   94    HB3  TRP  17           1HB      TRP  17  -0.999  -7.445  -1.036
   95    HD1  TRP  17           HD       TRP  17  -3.081  -5.311   0.269
   96    HE1  TRP  17           1HE      TRP  17  -5.209  -4.704  -1.023
   97    HE3  TRP  17           3HE      TRP  17  -1.519  -6.636  -4.403
   98    HZ2  TRP  17           2HZ      TRP  17  -6.124  -4.797  -3.730
   99    HZ3  TRP  17           3HZ      TRP  17  -3.060  -6.350  -6.312
  100    HH2  TRP  17           HH       TRP  17  -5.332  -5.445  -5.984
  101    H    ILE  18           H        ILE  18   1.798  -5.736  -2.080
  102    HA   ILE  18           HA       ILE  18   3.324  -7.651  -0.591
  103    HB   ILE  18           HB       ILE  18   3.992  -6.239  -3.214
  104   HG12  ILE  18          2HG1      ILE  18   2.653  -8.966  -2.682
  105   HG13  ILE  18          1HG1      ILE  18   1.840  -7.509  -3.345
  106   HG21  ILE  18          1HG2      ILE  18   5.995  -7.190  -2.007
  107   HG22  ILE  18          2HG2      ILE  18   5.621  -8.150  -3.467
  108   HG23  ILE  18          3HG2      ILE  18   5.145  -8.773  -1.844
  109   HD11  ILE  18          3HD1      ILE  18   3.383  -7.558  -5.341
  110   HD12  ILE  18          1HD1      ILE  18   2.347  -9.025  -5.186
  111   HD13  ILE  18          2HD1      ILE  18   4.084  -9.106  -4.728
  112    H    CYS  19           H        CYS  19   4.580  -7.016   1.048
  113    HA   CYS  19           HA       CYS  19   6.462  -4.888   0.674
  114    HB2  CYS  19           2HB      CYS  19   5.905  -3.872   2.979
  115    HB3  CYS  19           1HB      CYS  19   4.775  -3.476   1.648
  116    H    VAL  20           H        VAL  20   8.032  -4.957   2.562
  117    HA   VAL  20           HA       VAL  20   8.546  -7.722   3.207
  118    HB   VAL  20           HB       VAL  20  10.152  -5.243   4.010
  119   HG11  VAL  20          1HG1      VAL  20  10.577  -7.249   5.445
  120   HG12  VAL  20          2HG1      VAL  20  11.965  -6.957   4.341
  121   HG13  VAL  20          3HG1      VAL  20  10.790  -8.274   3.975
  122   HG21  VAL  20          3HG2      VAL  20  11.627  -5.921   2.075
  123   HG22  VAL  20          1HG2      VAL  20   9.999  -5.393   1.525
  124   HG23  VAL  20          2HG2      VAL  20  10.404  -7.152   1.585
  Start of MODEL   15
    1    H1   CYS   1           H        CYS   1   0.058   0.975  -4.238
    2    HA   CYS   1           HA       CYS   1  -1.990   2.968  -3.592
    3    HB2  CYS   1           2HB      CYS   1  -0.707   2.489  -6.359
    4    HB3  CYS   1           1HB      CYS   1  -2.248   3.380  -6.116
    5    H    VAL   2           H        VAL   2  -2.634   0.679  -2.686
    6    HA   VAL   2           HA       VAL   2  -4.559  -0.241  -4.672
    7    HB   VAL   2           HB       VAL   2  -4.507  -2.563  -3.676
    8   HG11  VAL   2          1HG1      VAL   2  -2.625  -3.345  -5.058
    9   HG12  VAL   2          2HG1      VAL   2  -1.941  -1.681  -5.142
   10   HG13  VAL   2          3HG1      VAL   2  -3.534  -2.044  -5.913
   11   HG21  VAL   2          3HG2      VAL   2  -3.246  -1.986  -1.553
   12   HG22  VAL   2          1HG2      VAL   2  -1.790  -1.603  -2.555
   13   HG23  VAL   2          2HG2      VAL   2  -2.424  -3.279  -2.497
   14    H    TRP   3           H        TRP   3  -6.101  -1.782  -2.829
   15    HA   TRP   3           HA       TRP   3  -6.252  -0.133  -0.448
   16    HB2  TRP   3           2HB      TRP   3  -7.892   0.838  -2.152
   17    HB3  TRP   3           1HB      TRP   3  -8.752  -0.737  -2.131
   18    HD1  TRP   3           HD       TRP   3 -10.633  -0.837  -0.216
   19    HE1  TRP   3           1HE      TRP   3 -11.175   0.521   1.901
   20    HE3  TRP   3           3HE      TRP   3  -6.566   2.241  -0.243
   21    HZ2  TRP   3           2HZ      TRP   3  -9.967   2.638   3.405
   22    HZ3  TRP   3           3HZ      TRP   3  -6.282   3.884   1.577
   23    HH2  TRP   3           HH       TRP   3  -7.960   4.085   3.375
   24    H    GLY   4           H        GLY   4  -7.003  -1.266   1.327
   25    HA2  GLY   4           2HA      GLY   4  -7.744  -2.987   2.513
   26    HA3  GLY   4           1HA      GLY   4  -7.933  -3.983   1.015
   27    H    GLY   5           H        GLY   5  -5.222  -2.228   2.691
   28    HA2  GLY   5           2HA      GLY   5  -3.706  -4.734   2.764
   29    HA3  GLY   5           1HA      GLY   5  -3.065  -3.219   2.000
   30    H    ASP   6           H        ASP   6  -1.646  -4.304   4.061
   31    HA   ASP   6           HA       ASP   6  -2.539  -3.152   6.562
   32    HB2  ASP   6           2HB      ASP   6  -1.656  -5.542   6.375
   33    HB3  ASP   6           1HB      ASP   6  -0.063  -4.874   5.889
   34    H    CYS   7           H        CYS   7  -0.071  -2.778   4.009
   35    HA   CYS   7           HA       CYS   7   1.371  -0.807   5.645
   36    HB2  CYS   7           2HB      CYS   7   3.332  -1.318   4.076
   37    HB3  CYS   7           1HB      CYS   7   2.842  -2.568   5.238
   38    H    THR   8           H        THR   8   2.725   0.195   3.114
   39    HA   THR   8           HA       THR   8   0.483   1.737   2.025
   40    HB   THR   8           HB       THR   8   3.053   2.909   3.226
   41    HG1  THR   8           1HG      THR   8   1.786   3.630   4.840
   42   HG21  THR   8          3HG2      THR   8   2.103   4.298   1.356
   43   HG22  THR   8          1HG2      THR   8   1.813   5.101   2.929
   44   HG23  THR   8          2HG2      THR   8   0.467   4.227   2.113
   45    H    ASP   9           H        ASP   9   0.896   2.431  -0.170
   46    HA   ASP   9           HA       ASP   9   3.445   1.541  -1.293
   47    HB2  ASP   9           2HB      ASP   9   2.551   2.346  -3.526
   48    HB3  ASP   9           1HB      ASP   9   1.851   0.860  -2.825
   49    H    PHE  10           H        PHE  10   1.799   4.408  -2.411
   50    HA   PHE  10           HA       PHE  10   3.850   6.163  -1.284
   51    HB2  PHE  10           2HB      PHE  10   1.606   6.557  -3.378
   52    HB3  PHE  10           1HB      PHE  10   2.585   7.921  -2.724
   53    HD1  PHE  10           2HD      PHE  10   5.016   8.035  -3.191
   54    HD2  PHE  10           1HD      PHE  10   2.577   4.944  -4.915
   55    HE1  PHE  10           2HE      PHE  10   6.803   7.536  -4.830
   56    HE2  PHE  10           1HE      PHE  10   4.362   4.448  -6.552
   57    HZ   PHE  10           HZ       PHE  10   6.479   5.742  -6.513
   58    H    LEU  11           H        LEU  11   3.150   7.991  -0.005
   59    HA   LEU  11           HA       LEU  11   0.939   7.286   1.712
   60    HB2  LEU  11           2HB      LEU  11   3.017   9.547   1.810
   61    HB3  LEU  11           1HB      LEU  11   1.628   9.430   2.942
   62    HG   LEU  11           HG       LEU  11   2.420   7.186   3.703
   63   HD11  LEU  11          1HD1      LEU  11   4.978   7.834   2.098
   64   HD12  LEU  11          2HD1      LEU  11   3.886   6.412   1.871
   65   HD13  LEU  11          3HD1      LEU  11   4.844   6.572   3.381
   66   HD21  LEU  11          3HD2      LEU  11   4.193   8.102   5.184
   67   HD22  LEU  11          1HD2      LEU  11   2.838   9.273   4.981
   68   HD23  LEU  11          2HD2      LEU  11   4.388   9.526   4.094
   69    H    GLY  12           H        GLY  12  -1.068   8.117   1.543
   70    HA2  GLY  12           2HA      GLY  12  -2.571   9.797   1.233
   71    HA3  GLY  12           1HA      GLY  12  -1.480  10.606   0.046
   72    H    CYS  13           H        CYS  13  -0.978   7.680  -0.999
   73    HA   CYS  13           HA       CYS  13  -3.002   7.872  -3.035
   74    HB2  CYS  13           2HB      CYS  13  -0.532   7.485  -3.496
   75    HB3  CYS  13           1HB      CYS  13  -0.682   5.861  -2.763
   76    H    GLY  14           H        GLY  14  -1.633   5.078  -1.146
   77    HA2  GLY  14           2HA      GLY  14  -4.108   4.325  -0.068
   78    HA3  GLY  14           1HA      GLY  14  -3.743   3.395  -1.589
   79    H    THR  15           H        THR  15  -3.704   1.449   0.077
   80    HA   THR  15           HA       THR  15  -1.494   1.371   1.770
   81    HB   THR  15           HB       THR  15  -2.579  -0.875   2.179
   82    HG1  THR  15           1HG      THR  15  -3.555  -1.220   0.260
   83   HG21  THR  15          3HG2      THR  15  -4.549   0.078   3.354
   84   HG22  THR  15          1HG2      THR  15  -4.450   1.579   2.366
   85   HG23  THR  15          2HG2      THR  15  -3.133   1.176   3.532
   86    H    ALA  16           H        ALA  16  -0.605  -1.195   1.565
   87    HA   ALA  16           HA       ALA  16  -0.219  -1.885  -1.233
   88    HB1  ALA  16           1HB      ALA  16   1.909  -0.730  -0.766
   89    HB2  ALA  16           2HB      ALA  16   2.193  -2.500  -0.817
   90    HB3  ALA  16           3HB      ALA  16   2.100  -1.641   0.770
   91    H    TRP  17           H        TRP  17   0.347  -4.155  -1.436
   92    HA   TRP  17           HA       TRP  17  -0.749  -5.733   0.782
   93    HB2  TRP  17           2HB      TRP  17  -0.308  -6.428  -2.188
   94    HB3  TRP  17           1HB      TRP  17  -0.955  -7.549  -0.939
   95    HD1  TRP  17           HD       TRP  17  -3.054  -5.281   0.379
   96    HE1  TRP  17           1HE      TRP  17  -5.181  -4.750  -0.941
   97    HE3  TRP  17           3HE      TRP  17  -1.500  -6.873  -4.213
   98    HZ2  TRP  17           2HZ      TRP  17  -6.091  -4.967  -3.642
   99    HZ3  TRP  17           3HZ      TRP  17  -3.035  -6.667  -6.139
  100    HH2  TRP  17           HH       TRP  17  -5.299  -5.728  -5.859
  101    H    ILE  18           H        ILE  18   1.689  -6.206  -1.858
  102    HA   ILE  18           HA       ILE  18   3.542  -7.297   0.086
  103    HB   ILE  18           HB       ILE  18   3.326  -8.510  -2.005
  104   HG12  ILE  18          2HG1      ILE  18   5.699  -8.580  -2.736
  105   HG13  ILE  18          1HG1      ILE  18   6.057  -7.091  -1.807
  106   HG21  ILE  18          1HG2      ILE  18   4.281  -5.935  -3.415
  107   HG22  ILE  18          2HG2      ILE  18   2.608  -6.612  -3.472
  108   HG23  ILE  18          3HG2      ILE  18   3.980  -7.536  -4.174
  109   HD11  ILE  18          3HD1      ILE  18   5.521  -8.286   0.338
  110   HD12  ILE  18          1HD1      ILE  18   6.764  -9.184  -0.602
  111   HD13  ILE  18          2HD1      ILE  18   5.055  -9.759  -0.595
  112    H    CYS  19           H        CYS  19   5.294  -6.188   0.841
  113    HA   CYS  19           HA       CYS  19   6.012  -3.620  -0.242
  114    HB2  CYS  19           2HB      CYS  19   5.754  -2.571   2.146
  115    HB3  CYS  19           1HB      CYS  19   4.315  -2.691   1.090
  116    H    VAL  20           H        VAL  20   6.218  -5.558   2.791
  117    HA   VAL  20           HA       VAL  20   9.110  -5.350   2.729
  118    HB   VAL  20           HB       VAL  20   7.337  -6.840   4.733
  119   HG11  VAL  20          1HG1      VAL  20   9.413  -6.685   6.149
  120   HG12  VAL  20          2HG1      VAL  20  10.302  -5.940   4.767
  121   HG13  VAL  20          3HG1      VAL  20   9.709  -7.641   4.654
  122   HG21  VAL  20          3HG2      VAL  20   7.738  -4.806   6.175
  123   HG22  VAL  20          1HG2      VAL  20   6.752  -4.418   4.727
  124   HG23  VAL  20          2HG2      VAL  20   8.501  -3.971   4.772
  Start of MODEL   16
    1    H1   CYS   1           H        CYS   1  -0.329   1.177  -4.392
    2    HA   CYS   1           HA       CYS   1  -2.226   3.242  -3.542
    3    HB2  CYS   1           2HB      CYS   1  -1.153   2.822  -6.407
    4    HB3  CYS   1           1HB      CYS   1  -2.608   3.799  -6.014
    5    H    VAL   2           H        VAL   2  -2.924   0.900  -2.714
    6    HA   VAL   2           HA       VAL   2  -4.959   0.137  -4.663
    7    HB   VAL   2           HB       VAL   2  -4.889  -2.247  -3.878
    8   HG11  VAL   2          1HG1      VAL   2  -3.044  -2.925  -5.361
    9   HG12  VAL   2          2HG1      VAL   2  -2.344  -1.269  -5.316
   10   HG13  VAL   2          3HG1      VAL   2  -3.954  -1.546  -6.082
   11   HG21  VAL   2          3HG2      VAL   2  -3.574  -1.853  -1.739
   12   HG22  VAL   2          1HG2      VAL   2  -2.135  -1.423  -2.745
   13   HG23  VAL   2          2HG2      VAL   2  -2.803  -3.085  -2.799
   14    H    TRP   3           H        TRP   3  -6.464  -1.482  -3.012
   15    HA   TRP   3           HA       TRP   3  -6.765   0.045  -0.524
   16    HB2  TRP   3           2HB      TRP   3  -8.543   0.763  -2.157
   17    HB3  TRP   3           1HB      TRP   3  -9.031  -0.951  -2.361
   18    HD1  TRP   3           HD       TRP   3  -8.732   1.637   0.634
   19    HE1  TRP   3           1HE      TRP   3 -10.655   1.173   2.270
   20    HE3  TRP   3           3HE      TRP   3 -10.741  -2.417  -1.714
   21    HZ2  TRP   3           2HZ      TRP   3 -12.760  -0.747   2.548
   22    HZ3  TRP   3           3HZ      TRP   3 -12.683  -3.559  -0.698
   23    HH2  TRP   3           HH       TRP   3 -13.681  -2.737   1.402
   24    H    GLY   4           H        GLY   4  -7.296  -1.227   1.241
   25    HA2  GLY   4           2HA      GLY   4  -7.770  -2.991   2.442
   26    HA3  GLY   4           1HA      GLY   4  -8.109  -3.934   0.937
   27    H    GLY   5           H        GLY   5  -5.251  -2.283   2.435
   28    HA2  GLY   5           2HA      GLY   5  -3.730  -4.780   2.153
   29    HA3  GLY   5           1HA      GLY   5  -3.154  -3.168   1.565
   30    H    ASP   6           H        ASP   6  -1.576  -4.517   3.271
   31    HA   ASP   6           HA       ASP   6  -2.239  -3.934   6.016
   32    HB2  ASP   6           2HB      ASP   6   0.223  -5.294   4.733
   33    HB3  ASP   6           1HB      ASP   6  -0.139  -5.234   6.500
   34    H    CYS   7           H        CYS   7   0.011  -2.874   3.435
   35    HA   CYS   7           HA       CYS   7   1.336  -1.085   5.361
   36    HB2  CYS   7           2HB      CYS   7   3.397  -1.285   3.980
   37    HB3  CYS   7           1HB      CYS   7   2.908  -2.783   4.799
   38    H    THR   8           H        THR   8   2.705  -0.023   2.733
   39    HA   THR   8           HA       THR   8   0.491   1.678   1.851
   40    HB   THR   8           HB       THR   8   3.180   2.665   2.961
   41    HG1  THR   8           1HG      THR   8   2.026   3.405   4.651
   42   HG21  THR   8          3HG2      THR   8   2.237   4.170   1.182
   43   HG22  THR   8          1HG2      THR   8   2.074   4.937   2.792
   44   HG23  THR   8          2HG2      THR   8   0.637   4.178   2.011
   45    H    ASP   9           H        ASP   9   0.832   2.441  -0.341
   46    HA   ASP   9           HA       ASP   9   3.254   1.448  -1.640
   47    HB2  ASP   9           2HB      ASP   9   2.277   2.401  -3.786
   48    HB3  ASP   9           1HB      ASP   9   1.546   0.919  -3.110
   49    H    PHE  10           H        PHE  10   1.717   4.447  -2.561
   50    HA   PHE  10           HA       PHE  10   3.885   6.050  -1.415
   51    HB2  PHE  10           2HB      PHE  10   1.585   6.672  -3.392
   52    HB3  PHE  10           1HB      PHE  10   2.660   7.942  -2.699
   53    HD1  PHE  10           2HD      PHE  10   5.092   7.929  -3.235
   54    HD2  PHE  10           1HD      PHE  10   2.387   5.154  -5.096
   55    HE1  PHE  10           2HE      PHE  10   6.781   7.447  -4.977
   56    HE2  PHE  10           1HE      PHE  10   4.076   4.676  -6.838
   57    HZ   PHE  10           HZ       PHE  10   6.277   5.820  -6.782
   58    H    LEU  11           H        LEU  11   3.323   7.741   0.085
   59    HA   LEU  11           HA       LEU  11   1.087   6.989   1.729
   60    HB2  LEU  11           2HB      LEU  11   3.335   7.547   2.712
   61    HB3  LEU  11           1HB      LEU  11   3.171   9.214   2.081
   62    HG   LEU  11           HG       LEU  11   1.130   9.535   3.534
   63   HD11  LEU  11          1HD1      LEU  11   0.345   7.187   3.788
   64   HD12  LEU  11          2HD1      LEU  11   0.669   7.921   5.397
   65   HD13  LEU  11          3HD1      LEU  11   1.852   6.761   4.685
   66   HD21  LEU  11          3HD2      LEU  11   2.362   9.738   5.680
   67   HD22  LEU  11          1HD2      LEU  11   3.377  10.278   4.290
   68   HD23  LEU  11          2HD2      LEU  11   3.670   8.668   5.050
   69    H    GLY  12           H        GLY  12  -0.878   7.936   1.679
   70    HA2  GLY  12           2HA      GLY  12  -2.268   9.757   1.595
   71    HA3  GLY  12           1HA      GLY  12  -1.170  10.579   0.424
   72    H    CYS  13           H        CYS  13  -0.856   7.743  -0.851
   73    HA   CYS  13           HA       CYS  13  -2.953   8.151  -2.777
   74    HB2  CYS  13           2HB      CYS  13  -0.522   7.701  -3.370
   75    HB3  CYS  13           1HB      CYS  13  -0.705   6.043  -2.732
   76    H    GLY  14           H        GLY  14  -1.619   5.210  -1.092
   77    HA2  GLY  14           2HA      GLY  14  -4.090   4.480   0.011
   78    HA3  GLY  14           1HA      GLY  14  -3.783   3.607  -1.557
   79    H    THR  15           H        THR  15  -3.778   1.606   0.041
   80    HA   THR  15           HA       THR  15  -1.502   1.370   1.644
   81    HB   THR  15           HB       THR  15  -2.643  -0.866   1.965
   82    HG1  THR  15           1HG      THR  15  -4.655   0.357   0.424
   83   HG21  THR  15          3HG2      THR  15  -4.476   0.060   3.356
   84   HG22  THR  15          1HG2      THR  15  -4.376   1.634   2.484
   85   HG23  THR  15          2HG2      THR  15  -3.000   1.081   3.509
   86    H    ALA  16           H        ALA  16  -0.611  -1.105   1.336
   87    HA   ALA  16           HA       ALA  16  -0.622  -1.961  -1.415
   88    HB1  ALA  16           1HB      ALA  16   1.851  -2.507  -1.389
   89    HB2  ALA  16           2HB      ALA  16   2.007  -1.536   0.127
   90    HB3  ALA  16           3HB      ALA  16   1.544  -0.737  -1.412
   91    H    TRP  17           H        TRP  17   0.132  -4.278  -1.453
   92    HA   TRP  17           HA       TRP  17  -1.148  -5.520   0.829
   93    HB2  TRP  17           2HB      TRP  17  -0.223  -6.655  -1.879
   94    HB3  TRP  17           1HB      TRP  17  -1.112  -7.571  -0.609
   95    HD1  TRP  17           HD       TRP  17  -3.390  -5.453   0.130
   96    HE1  TRP  17           1HE      TRP  17  -5.209  -4.820  -1.542
   97    HE3  TRP  17           3HE      TRP  17  -0.967  -6.860  -4.125
   98    HZ2  TRP  17           2HZ      TRP  17  -5.592  -4.964  -4.387
   99    HZ3  TRP  17           3HZ      TRP  17  -2.098  -6.577  -6.303
  100    HH2  TRP  17           HH       TRP  17  -4.378  -5.644  -6.434
  101    H    ILE  18           H        ILE  18   1.708  -6.483  -1.174
  102    HA   ILE  18           HA       ILE  18   3.017  -7.389   1.283
  103    HB   ILE  18           HB       ILE  18   3.765  -7.869  -1.640
  104   HG12  ILE  18          2HG1      ILE  18   1.604  -8.938  -1.224
  105   HG13  ILE  18          1HG1      ILE  18   2.907 -10.152  -1.364
  106   HG21  ILE  18          1HG2      ILE  18   5.225  -9.679  -0.631
  107   HG22  ILE  18          2HG2      ILE  18   4.815  -9.069   1.015
  108   HG23  ILE  18          3HG2      ILE  18   5.726  -8.027  -0.139
  109   HD11  ILE  18          3HD1      ILE  18   1.325 -10.777   0.434
  110   HD12  ILE  18          1HD1      ILE  18   1.600  -9.217   1.282
  111   HD13  ILE  18          2HD1      ILE  18   2.938 -10.422   1.146
  112    H    CYS  19           H        CYS  19   4.675  -6.229   2.115
  113    HA   CYS  19           HA       CYS  19   6.177  -4.442   0.341
  114    HB2  CYS  19           2HB      CYS  19   5.352  -3.861   3.256
  115    HB3  CYS  19           1HB      CYS  19   6.585  -2.936   2.337
  116    H    VAL  20           H        VAL  20   8.410  -4.121   1.258
  117    HA   VAL  20           HA       VAL  20   9.392  -6.669   2.179
  118    HB   VAL  20           HB       VAL  20  11.637  -5.686   1.825
  119   HG11  VAL  20          1HG1      VAL  20  10.404  -6.927   0.033
  120   HG12  VAL  20          2HG1      VAL  20  11.454  -5.631  -0.648
  121   HG13  VAL  20          3HG1      VAL  20   9.672  -5.383  -0.548
  122   HG21  VAL  20          3HG2      VAL  20  11.078  -3.284   2.352
  123   HG22  VAL  20          1HG2      VAL  20  10.053  -3.191   0.871
  124   HG23  VAL  20          2HG2      VAL  20  11.826  -3.451   0.727
  Start of MODEL   17
    1    H1   CYS   1           H        CYS   1  -0.503   1.251  -4.329
    2    HA   CYS   1           HA       CYS   1  -2.393   2.902  -2.961
    3    HB2  CYS   1           2HB      CYS   1  -1.134   4.454  -4.641
    4    HB3  CYS   1           1HB      CYS   1  -1.985   3.569  -5.939
    5    H    VAL   2           H        VAL   2  -2.967   0.643  -2.616
    6    HA   VAL   2           HA       VAL   2  -5.023  -0.016  -4.586
    7    HB   VAL   2           HB       VAL   2  -4.848  -2.435  -3.845
    8   HG11  VAL   2          1HG1      VAL   2  -4.019  -1.640  -6.056
    9   HG12  VAL   2          2HG1      VAL   2  -3.005  -2.977  -5.399
   10   HG13  VAL   2          3HG1      VAL   2  -2.405  -1.279  -5.335
   11   HG21  VAL   2          3HG2      VAL   2  -3.490  -2.033  -1.736
   12   HG22  VAL   2          1HG2      VAL   2  -2.101  -1.498  -2.761
   13   HG23  VAL   2          2HG2      VAL   2  -2.682  -3.189  -2.853
   14    H    TRP   3           H        TRP   3  -6.371  -1.829  -2.776
   15    HA   TRP   3           HA       TRP   3  -6.474  -0.366  -0.271
   16    HB2  TRP   3           2HB      TRP   3  -8.279   0.609  -1.791
   17    HB3  TRP   3           1HB      TRP   3  -9.017  -1.024  -1.871
   18    HD1  TRP   3           HD       TRP   3 -10.837  -1.391   0.064
   19    HE1  TRP   3           1HE      TRP   3 -11.391  -0.259   2.305
   20    HE3  TRP   3           3HE      TRP   3  -6.942   1.902   0.222
   21    HZ2  TRP   3           2HZ      TRP   3 -10.256   1.780   3.968
   22    HZ3  TRP   3           3HZ      TRP   3  -6.701   3.394   2.173
   23    HH2  TRP   3           HH       TRP   3  -8.336   3.337   4.021
   24    H    GLY   4           H        GLY   4  -7.021  -1.669   1.456
   25    HA2  GLY   4           2HA      GLY   4  -7.532  -3.519   2.561
   26    HA3  GLY   4           1HA      GLY   4  -7.791  -4.413   1.010
   27    H    GLY   5           H        GLY   5  -5.037  -2.560   2.474
   28    HA2  GLY   5           2HA      GLY   5  -3.350  -4.953   2.234
   29    HA3  GLY   5           1HA      GLY   5  -2.889  -3.322   1.590
   30    H    ASP   6           H        ASP   6  -1.232  -4.481   3.428
   31    HA   ASP   6           HA       ASP   6  -2.050  -3.726   6.092
   32    HB2  ASP   6           2HB      ASP   6  -0.935  -5.952   5.578
   33    HB3  ASP   6           1HB      ASP   6   0.537  -5.063   5.068
   34    H    CYS   7           H        CYS   7   0.310  -2.798   3.532
   35    HA   CYS   7           HA       CYS   7   1.501  -0.855   5.391
   36    HB2  CYS   7           2HB      CYS   7   3.544  -0.962   3.964
   37    HB3  CYS   7           1HB      CYS   7   3.141  -2.466   4.813
   38    H    THR   8           H        THR   8   2.770   0.212   2.685
   39    HA   THR   8           HA       THR   8   0.495   1.829   1.827
   40    HB   THR   8           HB       THR   8   3.134   2.951   2.930
   41    HG1  THR   8           1HG      THR   8   1.944   3.667   4.603
   42   HG21  THR   8          3HG2      THR   8   2.163   4.391   1.130
   43   HG22  THR   8          1HG2      THR   8   1.901   5.168   2.725
   44   HG23  THR   8          2HG2      THR   8   0.537   4.320   1.914
   45    H    ASP   9           H        ASP   9   0.791   2.558  -0.366
   46    HA   ASP   9           HA       ASP   9   3.234   1.644  -1.677
   47    HB2  ASP   9           2HB      ASP   9   2.156   2.464  -3.829
   48    HB3  ASP   9           1HB      ASP   9   1.473   1.001  -3.060
   49    H    PHE  10           H        PHE  10   1.554   4.516  -2.678
   50    HA   PHE  10           HA       PHE  10   3.787   6.235  -2.106
   51    HB2  PHE  10           2HB      PHE  10   2.332   6.290  -4.281
   52    HB3  PHE  10           1HB      PHE  10   0.987   6.891  -3.276
   53    HD1  PHE  10           1HD      PHE  10   4.606   7.639  -4.096
   54    HD2  PHE  10           2HD      PHE  10   0.769   9.218  -2.965
   55    HE1  PHE  10           1HE      PHE  10   5.485   9.942  -4.318
   56    HE2  PHE  10           2HE      PHE  10   1.649  11.516  -3.191
   57    HZ   PHE  10           HZ       PHE  10   4.008  11.884  -3.866
   58    H    LEU  11           H        LEU  11   3.571   8.093  -0.688
   59    HA   LEU  11           HA       LEU  11   1.919   7.588   1.589
   60    HB2  LEU  11           2HB      LEU  11   3.722   9.997   0.961
   61    HB3  LEU  11           1HB      LEU  11   2.999   9.602   2.560
   62    HG   LEU  11           HG       LEU  11   5.080   7.922   1.025
   63   HD11  LEU  11          1HD1      LEU  11   6.006  10.071   1.858
   64   HD12  LEU  11          2HD1      LEU  11   6.687   8.668   2.764
   65   HD13  LEU  11          3HD1      LEU  11   5.415   9.699   3.521
   66   HD21  LEU  11          3HD2      LEU  11   3.697   6.425   2.424
   67   HD22  LEU  11          1HD2      LEU  11   3.915   7.506   3.854
   68   HD23  LEU  11          2HD2      LEU  11   5.325   6.622   3.160
   69    H    GLY  12           H        GLY  12  -0.207   8.071   1.506
   70    HA2  GLY  12           2HA      GLY  12  -1.962   9.436   1.539
   71    HA3  GLY  12           1HA      GLY  12  -1.018  10.736   0.716
   72    H    CYS  13           H        CYS  13  -1.834   7.280  -0.049
   73    HA   CYS  13           HA       CYS  13  -3.505   8.170  -2.221
   74    HB2  CYS  13           2HB      CYS  13  -1.150   7.922  -3.201
   75    HB3  CYS  13           1HB      CYS  13  -1.214   6.182  -2.801
   76    H    GLY  14           H        GLY  14  -1.845   5.086  -1.186
   77    HA2  GLY  14           2HA      GLY  14  -4.182   4.278   0.253
   78    HA3  GLY  14           1HA      GLY  14  -3.963   3.458  -1.350
   79    H    THR  15           H        THR  15  -3.755   1.410   0.133
   80    HA   THR  15           HA       THR  15  -1.443   1.247   1.680
   81    HB   THR  15           HB       THR  15  -2.487  -1.021   2.031
   82    HG1  THR  15           1HG      THR  15  -4.449  -1.417   1.216
   83   HG21  THR  15          3HG2      THR  15  -4.367   1.395   2.477
   84   HG22  THR  15          1HG2      THR  15  -2.971   0.953   3.528
   85   HG23  THR  15          2HG2      THR  15  -4.380  -0.158   3.388
   86    H    ALA  16           H        ALA  16  -0.528  -1.285   1.296
   87    HA   ALA  16           HA       ALA  16  -0.453  -1.897  -1.532
   88    HB1  ALA  16           1HB      ALA  16   2.131  -1.567   0.101
   89    HB2  ALA  16           2HB      ALA  16   1.663  -0.632  -1.357
   90    HB3  ALA  16           3HB      ALA  16   2.018  -2.388  -1.502
   91    H    TRP  17           H        TRP  17  -0.005  -4.106  -1.898
   92    HA   TRP  17           HA       TRP  17  -0.921  -5.743   0.308
   93    HB2  TRP  17           2HB      TRP  17  -0.401  -6.383  -2.664
   94    HB3  TRP  17           1HB      TRP  17  -1.087  -7.530  -1.461
   95    HD1  TRP  17           HD       TRP  17  -3.251  -5.414  -0.126
   96    HE1  TRP  17           1HE      TRP  17  -5.356  -4.863  -1.478
   97    HE3  TRP  17           3HE      TRP  17  -1.502  -6.645  -4.757
   98    HZ2  TRP  17           2HZ      TRP  17  -6.172  -4.926  -4.218
   99    HZ3  TRP  17           3HZ      TRP  17  -2.982  -6.360  -6.716
  100    HH2  TRP  17           HH       TRP  17  -5.284  -5.515  -6.453
  101    H    ILE  18           H        ILE  18   1.800  -5.536  -2.062
  102    HA   ILE  18           HA       ILE  18   3.327  -7.506  -0.619
  103    HB   ILE  18           HB       ILE  18   4.152  -5.679  -2.926
  104   HG12  ILE  18          2HG1      ILE  18   3.143  -8.594  -2.933
  105   HG13  ILE  18          1HG1      ILE  18   2.230  -7.167  -3.526
  106   HG21  ILE  18          1HG2      ILE  18   6.084  -6.542  -1.551
  107   HG22  ILE  18          2HG2      ILE  18   6.047  -7.329  -3.156
  108   HG23  ILE  18          3HG2      ILE  18   5.448  -8.222  -1.710
  109   HD11  ILE  18          3HD1      ILE  18   4.015  -6.751  -5.263
  110   HD12  ILE  18          1HD1      ILE  18   3.183  -8.339  -5.444
  111   HD13  ILE  18          2HD1      ILE  18   4.838  -8.272  -4.745
  112    H    CYS  19           H        CYS  19   4.467  -6.991   1.164
  113    HA   CYS  19           HA       CYS  19   5.207  -4.178   1.616
  114    HB2  CYS  19           2HB      CYS  19   4.269  -6.275   3.667
  115    HB3  CYS  19           1HB      CYS  19   4.782  -4.594   4.048
  116    H    VAL  20           H        VAL  20   7.009  -4.023   3.257
  117    HA   VAL  20           HA       VAL  20   9.087  -5.850   2.467
  118    HB   VAL  20           HB       VAL  20  10.585  -4.343   3.745
  119   HG11  VAL  20          1HG1      VAL  20   8.702  -2.940   1.729
  120   HG12  VAL  20          2HG1      VAL  20  10.088  -4.018   1.311
  121   HG13  VAL  20          3HG1      VAL  20  10.382  -2.452   2.153
  122   HG21  VAL  20          3HG2      VAL  20   9.672  -2.202   4.646
  123   HG22  VAL  20          1HG2      VAL  20   8.943  -3.599   5.509
  124   HG23  VAL  20          2HG2      VAL  20   7.993  -2.713   4.257
  Start of MODEL   18
    1    H1   CYS   1           H        CYS   1   0.063   0.927  -4.264
    2    HA   CYS   1           HA       CYS   1  -1.937   2.961  -3.585
    3    HB2  CYS   1           2HB      CYS   1  -0.691   2.471  -6.365
    4    HB3  CYS   1           1HB      CYS   1  -2.206   3.398  -6.102
    5    H    VAL   2           H        VAL   2  -2.632   0.683  -2.689
    6    HA   VAL   2           HA       VAL   2  -4.593  -0.175  -4.669
    7    HB   VAL   2           HB       VAL   2  -4.600  -2.499  -3.678
    8   HG11  VAL   2          1HG1      VAL   2  -2.029  -1.686  -5.172
    9   HG12  VAL   2          2HG1      VAL   2  -3.641  -1.999  -5.924
   10   HG13  VAL   2          3HG1      VAL   2  -2.758  -3.329  -5.085
   11   HG21  VAL   2          3HG2      VAL   2  -3.298  -1.966  -1.568
   12   HG22  VAL   2          1HG2      VAL   2  -1.844  -1.622  -2.586
   13   HG23  VAL   2          2HG2      VAL   2  -2.525  -3.278  -2.526
   14    H    TRP   3           H        TRP   3  -6.147  -1.699  -2.785
   15    HA   TRP   3           HA       TRP   3  -6.263  -0.008  -0.433
   16    HB2  TRP   3           2HB      TRP   3  -7.863   0.991  -2.163
   17    HB3  TRP   3           1HB      TRP   3  -8.772  -0.556  -2.124
   18    HD1  TRP   3           HD       TRP   3 -10.664  -0.574  -0.218
   19    HE1  TRP   3           1HE      TRP   3 -11.193   0.852   1.857
   20    HE3  TRP   3           3HE      TRP   3  -6.516   2.393  -0.276
   21    HZ2  TRP   3           2HZ      TRP   3  -9.942   2.972   3.325
   22    HZ3  TRP   3           3HZ      TRP   3  -6.207   4.075   1.504
   23    HH2  TRP   3           HH       TRP   3  -7.897   4.365   3.279
   24    H    GLY   4           H        GLY   4  -7.037  -1.095   1.354
   25    HA2  GLY   4           2HA      GLY   4  -7.850  -2.765   2.562
   26    HA3  GLY   4           1HA      GLY   4  -8.097  -3.764   1.077
   27    H    GLY   5           H        GLY   5  -5.288  -2.138   2.720
   28    HA2  GLY   5           2HA      GLY   5  -3.917  -4.722   2.838
   29    HA3  GLY   5           1HA      GLY   5  -3.191  -3.263   2.046
   30    H    ASP   6           H        ASP   6  -1.811  -4.351   4.109
   31    HA   ASP   6           HA       ASP   6  -2.638  -3.115   6.597
   32    HB2  ASP   6           2HB      ASP   6  -1.865  -5.546   6.457
   33    HB3  ASP   6           1HB      ASP   6  -0.248  -4.962   5.939
   34    H    CYS   7           H        CYS   7  -0.180  -2.911   4.017
   35    HA   CYS   7           HA       CYS   7   1.383  -0.989   5.595
   36    HB2  CYS   7           2HB      CYS   7   3.261  -1.599   3.941
   37    HB3  CYS   7           1HB      CYS   7   2.765  -2.805   5.146
   38    H    THR   8           H        THR   8   2.717  -0.005   3.077
   39    HA   THR   8           HA       THR   8   0.516   1.612   2.013
   40    HB   THR   8           HB       THR   8   3.119   2.689   3.232
   41    HG1  THR   8           1HG      THR   8   1.867   3.432   4.850
   42   HG21  THR   8          3HG2      THR   8   1.965   4.926   2.957
   43   HG22  THR   8          1HG2      THR   8   0.585   4.113   2.133
   44   HG23  THR   8          2HG2      THR   8   2.221   4.128   1.374
   45    H    ASP   9           H        ASP   9   0.942   2.316  -0.177
   46    HA   ASP   9           HA       ASP   9   3.463   1.374  -1.317
   47    HB2  ASP   9           2HB      ASP   9   2.589   2.230  -3.539
   48    HB3  ASP   9           1HB      ASP   9   1.853   0.752  -2.856
   49    H    PHE  10           H        PHE  10   1.889   4.301  -2.392
   50    HA   PHE  10           HA       PHE  10   3.950   5.992  -1.178
   51    HB2  PHE  10           2HB      PHE  10   1.743   6.506  -3.289
   52    HB3  PHE  10           1HB      PHE  10   2.754   7.816  -2.578
   53    HD1  PHE  10           1HD      PHE  10   5.213   7.837  -2.985
   54    HD2  PHE  10           2HD      PHE  10   2.659   4.965  -4.910
   55    HE1  PHE  10           1HE      PHE  10   6.999   7.345  -4.626
   56    HE2  PHE  10           2HE      PHE  10   4.446   4.475  -6.549
   57    HZ   PHE  10           HZ       PHE  10   6.619   5.664  -6.410
   58    H    LEU  11           H        LEU  11   3.271   7.684   0.262
   59    HA   LEU  11           HA       LEU  11   0.937   6.937   1.770
   60    HB2  LEU  11           2HB      LEU  11   3.107   7.533   2.896
   61    HB3  LEU  11           1HB      LEU  11   2.975   9.188   2.224
   62    HG   LEU  11           HG       LEU  11   0.835   9.516   3.522
   63   HD11  LEU  11          1HD1      LEU  11   1.498   6.771   4.776
   64   HD12  LEU  11          2HD1      LEU  11   0.054   7.165   3.768
   65   HD13  LEU  11          3HD1      LEU  11   0.259   7.933   5.381
   66   HD21  LEU  11          3HD2      LEU  11   1.911   9.773   5.744
   67   HD22  LEU  11          1HD2      LEU  11   3.015  10.296   4.419
   68   HD23  LEU  11          2HD2      LEU  11   3.270   8.703   5.228
   69    H    GLY  12           H        GLY  12  -1.027   7.863   1.551
   70    HA2  GLY  12           2HA      GLY  12  -2.404   9.699   1.330
   71    HA3  GLY  12           1HA      GLY  12  -1.242  10.457   0.176
   72    H    CYS  13           H        CYS  13  -0.829   7.602  -0.964
   73    HA   CYS  13           HA       CYS  13  -2.851   7.872  -2.988
   74    HB2  CYS  13           2HB      CYS  13  -0.388   7.438  -3.455
   75    HB3  CYS  13           1HB      CYS  13  -0.577   5.805  -2.753
   76    H    GLY  14           H        GLY  14  -1.545   5.045  -1.099
   77    HA2  GLY  14           2HA      GLY  14  -4.032   4.320  -0.051
   78    HA3  GLY  14           1HA      GLY  14  -3.682   3.396  -1.579
   79    H    THR  15           H        THR  15  -3.677   1.432   0.062
   80    HA   THR  15           HA       THR  15  -1.472   1.298   1.757
   81    HB   THR  15           HB       THR  15  -2.589  -0.926   2.148
   82    HG1  THR  15           1HG      THR  15  -4.485  -1.343   1.210
   83   HG21  THR  15          3HG2      THR  15  -4.566   0.038   3.303
   84   HG22  THR  15          1HG2      THR  15  -4.448   1.541   2.320
   85   HG23  THR  15          2HG2      THR  15  -3.145   1.128   3.499
   86    H    ALA  16           H        ALA  16  -0.627  -1.283   1.515
   87    HA   ALA  16           HA       ALA  16  -0.246  -1.930  -1.299
   88    HB1  ALA  16           1HB      ALA  16   2.048  -1.817   0.742
   89    HB2  ALA  16           2HB      ALA  16   1.920  -0.876  -0.784
   90    HB3  ALA  16           3HB      ALA  16   2.135  -2.657  -0.855
   91    H    TRP  17           H        TRP  17   0.312  -4.227  -1.512
   92    HA   TRP  17           HA       TRP  17  -0.797  -5.819   0.704
   93    HB2  TRP  17           2HB      TRP  17  -0.595  -6.444  -2.312
   94    HB3  TRP  17           1HB      TRP  17  -1.204  -7.569  -1.050
   95    HD1  TRP  17           HD       TRP  17  -3.124  -5.224   0.440
   96    HE1  TRP  17           1HE      TRP  17  -5.308  -4.602  -0.741
   97    HE3  TRP  17           3HE      TRP  17  -1.929  -6.844  -4.251
   98    HZ2  TRP  17           2HZ      TRP  17  -6.398  -4.768  -3.378
   99    HZ3  TRP  17           3HZ      TRP  17  -3.575  -6.569  -6.074
  100    HH2  TRP  17           HH       TRP  17  -5.779  -5.545  -5.645
  101    H    ILE  18           H        ILE  18   1.462  -6.115  -2.111
  102    HA   ILE  18           HA       ILE  18   3.324  -7.624  -0.479
  103    HB   ILE  18           HB       ILE  18   3.506  -6.765  -3.407
  104   HG12  ILE  18          2HG1      ILE  18   2.634  -9.445  -2.153
  105   HG13  ILE  18          1HG1      ILE  18   1.553  -8.271  -2.975
  106   HG21  ILE  18          1HG2      ILE  18   5.147  -8.783  -1.717
  107   HG22  ILE  18          2HG2      ILE  18   5.739  -7.188  -2.311
  108   HG23  ILE  18          3HG2      ILE  18   5.353  -8.481  -3.483
  109   HD11  ILE  18          3HD1      ILE  18   2.065 -10.085  -4.527
  110   HD12  ILE  18          1HD1      ILE  18   3.836  -9.857  -4.310
  111   HD13  ILE  18          2HD1      ILE  18   2.854  -8.575  -5.116
  112    H    CYS  19           H        CYS  19   4.816  -6.550   0.704
  113    HA   CYS  19           HA       CYS  19   5.969  -4.080  -0.250
  114    HB2  CYS  19           2HB      CYS  19   5.422  -2.893   1.956
  115    HB3  CYS  19           1HB      CYS  19   4.027  -3.152   0.866
  116    H    VAL  20           H        VAL  20   7.718  -3.406   1.402
  117    HA   VAL  20           HA       VAL  20   9.187  -5.754   2.109
  118    HB   VAL  20           HB       VAL  20  10.344  -3.927   1.065
  119   HG11  VAL  20          1HG1      VAL  20  10.698  -1.750   2.171
  120   HG12  VAL  20          2HG1      VAL  20   9.634  -2.217   3.541
  121   HG13  VAL  20          3HG1      VAL  20   8.942  -2.013   1.885
  122   HG21  VAL  20          3HG2      VAL  20  11.532  -5.454   2.658
  123   HG22  VAL  20          1HG2      VAL  20  11.205  -4.305   4.011
  124   HG23  VAL  20          2HG2      VAL  20  12.250  -3.801   2.636
  Start of MODEL   19
    1    H1   CYS   1           H        CYS   1  -0.298   1.280  -4.364
    2    HA   CYS   1           HA       CYS   1  -2.352   3.192  -3.532
    3    HB2  CYS   1           2HB      CYS   1  -1.274   2.832  -6.403
    4    HB3  CYS   1           1HB      CYS   1  -2.820   3.660  -6.013
    5    H    VAL   2           H        VAL   2  -2.828   0.839  -2.646
    6    HA   VAL   2           HA       VAL   2  -4.830  -0.140  -4.527
    7    HB   VAL   2           HB       VAL   2  -4.549  -2.488  -3.646
    8   HG11  VAL   2          1HG1      VAL   2  -2.718  -3.077  -5.187
    9   HG12  VAL   2          2HG1      VAL   2  -2.158  -1.367  -5.242
   10   HG13  VAL   2          3HG1      VAL   2  -3.773  -1.811  -5.918
   11   HG21  VAL   2          3HG2      VAL   2  -3.178  -1.908  -1.591
   12   HG22  VAL   2          1HG2      VAL   2  -1.825  -1.395  -2.672
   13   HG23  VAL   2          2HG2      VAL   2  -2.349  -3.107  -2.644
   14    H    TRP   3           H        TRP   3  -6.120  -1.862  -2.667
   15    HA   TRP   3           HA       TRP   3  -6.244  -0.332  -0.204
   16    HB2  TRP   3           2HB      TRP   3  -8.066   0.576  -1.746
   17    HB3  TRP   3           1HB      TRP   3  -8.786  -1.068  -1.773
   18    HD1  TRP   3           HD       TRP   3 -10.566  -1.415   0.207
   19    HE1  TRP   3           1HE      TRP   3 -11.106  -0.227   2.424
   20    HE3  TRP   3           3HE      TRP   3  -6.739   1.960   0.197
   21    HZ2  TRP   3           2HZ      TRP   3  -9.985   1.883   4.004
   22    HZ3  TRP   3           3HZ      TRP   3  -6.493   3.513   2.100
   23    HH2  TRP   3           HH       TRP   3  -8.095   3.478   3.977
   24    H    GLY   4           H        GLY   4  -6.761  -1.607   1.557
   25    HA2  GLY   4           2HA      GLY   4  -7.228  -3.440   2.710
   26    HA3  GLY   4           1HA      GLY   4  -7.493  -4.372   1.183
   27    H    GLY   5           H        GLY   5  -4.777  -2.472   2.646
   28    HA2  GLY   5           2HA      GLY   5  -3.024  -4.808   2.355
   29    HA3  GLY   5           1HA      GLY   5  -2.624  -3.177   1.677
   30    H    ASP   6           H        ASP   6  -0.893  -4.306   3.480
   31    HA   ASP   6           HA       ASP   6  -1.689  -3.564   6.147
   32    HB2  ASP   6           2HB      ASP   6   0.260  -4.812   6.925
   33    HB3  ASP   6           1HB      ASP   6  -0.776  -5.798   5.844
   34    H    CYS   7           H        CYS   7   0.570  -2.449   3.602
   35    HA   CYS   7           HA       CYS   7   1.619  -0.467   5.523
   36    HB2  CYS   7           2HB      CYS   7   3.055  -1.674   3.113
   37    HB3  CYS   7           1HB      CYS   7   3.710  -0.397   4.209
   38    H    THR   8           H        THR   8   2.851   0.584   2.723
   39    HA   THR   8           HA       THR   8   0.490   2.049   1.855
   40    HB   THR   8           HB       THR   8   3.070   3.350   2.883
   41    HG1  THR   8           1HG      THR   8   0.484   3.266   4.022
   42   HG21  THR   8          3HG2      THR   8   1.715   5.483   2.680
   43   HG22  THR   8          1HG2      THR   8   0.374   4.551   1.928
   44   HG23  THR   8          2HG2      THR   8   1.964   4.693   1.088
   45    H    ASP   9           H        ASP   9   0.779   2.799  -0.366
   46    HA   ASP   9           HA       ASP   9   3.270   1.946  -1.632
   47    HB2  ASP   9           2HB      ASP   9   2.216   2.686  -3.816
   48    HB3  ASP   9           1HB      ASP   9   1.592   1.198  -3.048
   49    H    PHE  10           H        PHE  10   1.498   4.721  -2.719
   50    HA   PHE  10           HA       PHE  10   3.594   6.569  -1.911
   51    HB2  PHE  10           2HB      PHE  10   1.091   6.743  -3.715
   52    HB3  PHE  10           1HB      PHE  10   2.023   8.208  -3.248
   53    HD1  PHE  10           1HD      PHE  10   4.321   8.528  -4.064
   54    HD2  PHE  10           2HD      PHE  10   2.051   5.064  -5.218
   55    HE1  PHE  10           1HE      PHE  10   5.939   8.070  -5.881
   56    HE2  PHE  10           2HE      PHE  10   3.666   4.610  -7.033
   57    HZ   PHE  10           HZ       PHE  10   5.614   6.111  -7.368
   58    H    LEU  11           H        LEU  11   2.967   8.550  -0.773
   59    HA   LEU  11           HA       LEU  11   1.290   7.878   1.435
   60    HB2  LEU  11           2HB      LEU  11   2.725  10.523   0.812
   61    HB3  LEU  11           1HB      LEU  11   2.017  10.041   2.394
   62    HG   LEU  11           HG       LEU  11   4.399   8.703   0.968
   63   HD11  LEU  11          1HD1      LEU  11   4.338  10.534   3.447
   64   HD12  LEU  11          2HD1      LEU  11   4.928  10.983   1.801
   65   HD13  LEU  11          3HD1      LEU  11   5.791   9.718   2.755
   66   HD21  LEU  11          3HD2      LEU  11   3.228   7.013   2.333
   67   HD22  LEU  11          1HD2      LEU  11   3.199   8.126   3.753
   68   HD23  LEU  11          2HD2      LEU  11   4.767   7.483   3.134
   69    H    GLY  12           H        GLY  12  -0.835   8.317   1.616
   70    HA2  GLY  12           2HA      GLY  12  -2.664   9.581   1.614
   71    HA3  GLY  12           1HA      GLY  12  -1.919  10.739   0.452
   72    H    CYS  13           H        CYS  13  -1.309   7.731  -0.813
   73    HA   CYS  13           HA       CYS  13  -3.466   8.027  -2.721
   74    HB2  CYS  13           2HB      CYS  13  -1.044   7.770  -3.414
   75    HB3  CYS  13           1HB      CYS  13  -1.050   6.116  -2.740
   76    H    GLY  14           H        GLY  14  -1.846   5.169  -1.179
   77    HA2  GLY  14           2HA      GLY  14  -4.228   4.262   0.049
   78    HA3  GLY  14           1HA      GLY  14  -3.879   3.412  -1.522
   79    H    THR  15           H        THR  15  -3.674   1.430   0.113
   80    HA   THR  15           HA       THR  15  -1.383   1.426   1.694
   81    HB   THR  15           HB       THR  15  -2.324  -0.863   2.108
   82    HG1  THR  15           1HG      THR  15  -3.380  -1.242   0.239
   83   HG21  THR  15          3HG2      THR  15  -2.920   1.136   3.520
   84   HG22  THR  15          1HG2      THR  15  -4.277  -0.040   3.398
   85   HG23  THR  15          2HG2      THR  15  -4.316   1.477   2.430
   86    H    ALA  16           H        ALA  16  -0.363  -1.108   1.390
   87    HA   ALA  16           HA       ALA  16  -0.198  -1.770  -1.417
   88    HB1  ALA  16           1HB      ALA  16   2.264  -2.142  -1.399
   89    HB2  ALA  16           2HB      ALA  16   2.365  -1.366   0.226
   90    HB3  ALA  16           3HB      ALA  16   1.866  -0.401  -1.204
   91    H    TRP  17           H        TRP  17   0.240  -3.956  -1.740
   92    HA   TRP  17           HA       TRP  17  -0.569  -5.588   0.505
   93    HB2  TRP  17           2HB      TRP  17  -0.053  -6.269  -2.462
   94    HB3  TRP  17           1HB      TRP  17  -0.711  -7.403  -1.234
   95    HD1  TRP  17           HD       TRP  17  -2.930  -5.312   0.046
   96    HE1  TRP  17           1HE      TRP  17  -5.039  -4.832  -1.327
   97    HE3  TRP  17           3HE      TRP  17  -1.138  -6.617  -4.546
   98    HZ2  TRP  17           2HZ      TRP  17  -5.845  -4.987  -4.066
   99    HZ3  TRP  17           3HZ      TRP  17  -2.617  -6.422  -6.515
  100    HH2  TRP  17           HH       TRP  17  -4.938  -5.618  -6.281
  101    H    ILE  18           H        ILE  18   2.103  -5.334  -1.918
  102    HA   ILE  18           HA       ILE  18   3.694  -7.261  -0.485
  103    HB   ILE  18           HB       ILE  18   4.466  -5.441  -2.811
  104   HG12  ILE  18          2HG1      ILE  18   2.576  -6.816  -3.527
  105   HG13  ILE  18          1HG1      ILE  18   4.097  -7.367  -4.287
  106   HG21  ILE  18          1HG2      ILE  18   6.437  -6.290  -1.571
  107   HG22  ILE  18          2HG2      ILE  18   6.288  -7.169  -3.131
  108   HG23  ILE  18          3HG2      ILE  18   5.780  -7.968  -1.596
  109   HD11  ILE  18          3HD1      ILE  18   4.218  -9.297  -2.662
  110   HD12  ILE  18          1HD1      ILE  18   2.702  -9.303  -3.632
  111   HD13  ILE  18          2HD1      ILE  18   2.664  -8.755  -1.921
  112    H    CYS  19           H        CYS  19   4.880  -6.733   1.248
  113    HA   CYS  19           HA       CYS  19   6.099  -4.128   1.471
  114    HB2  CYS  19           2HB      CYS  19   3.792  -3.825   2.469
  115    HB3  CYS  19           1HB      CYS  19   4.091  -5.200   3.573
  116    H    VAL  20           H        VAL  20   5.210  -7.259   3.022
  117    HA   VAL  20           HA       VAL  20   7.800  -7.407   4.306
  118    HB   VAL  20           HB       VAL  20   5.522  -9.452   4.348
  119   HG11  VAL  20          1HG1      VAL  20   7.775 -10.383   4.924
  120   HG12  VAL  20          2HG1      VAL  20   6.751 -10.246   6.397
  121   HG13  VAL  20          3HG1      VAL  20   8.050  -9.034   6.091
  122   HG21  VAL  20          3HG2      VAL  20   4.707  -7.280   5.259
  123   HG22  VAL  20          1HG2      VAL  20   6.201  -7.113   6.261
  124   HG23  VAL  20          2HG2      VAL  20   5.019  -8.429   6.604
  Start of MODEL   20
    1    H1   CYS   1           H        CYS   1  -0.385   1.219  -4.409
    2    HA   CYS   1           HA       CYS   1  -2.286   2.907  -3.075
    3    HB2  CYS   1           2HB      CYS   1  -1.014   4.401  -4.786
    4    HB3  CYS   1           1HB      CYS   1  -1.836   3.470  -6.070
    5    H    VAL   2           H        VAL   2  -2.866   0.665  -2.661
    6    HA   VAL   2           HA       VAL   2  -4.944  -0.018  -4.604
    7    HB   VAL   2           HB       VAL   2  -4.834  -2.405  -3.753
    8   HG11  VAL   2          1HG1      VAL   2  -3.991  -1.731  -6.001
    9   HG12  VAL   2          2HG1      VAL   2  -3.005  -3.059  -5.285
   10   HG13  VAL   2          3HG1      VAL   2  -2.368  -1.374  -5.298
   11   HG21  VAL   2          3HG2      VAL   2  -2.679  -3.165  -2.737
   12   HG22  VAL   2          1HG2      VAL   2  -3.464  -1.948  -1.668
   13   HG23  VAL   2          2HG2      VAL   2  -2.065  -1.485  -2.716
   14    H    TRP   3           H        TRP   3  -6.345  -1.714  -2.717
   15    HA   TRP   3           HA       TRP   3  -6.443  -0.109  -0.295
   16    HB2  TRP   3           2HB      TRP   3  -8.208   0.804  -1.907
   17    HB3  TRP   3           1HB      TRP   3  -8.984  -0.814  -1.883
   18    HD1  TRP   3           HD       TRP   3 -10.804  -1.028   0.085
   19    HE1  TRP   3           1HE      TRP   3 -11.356   0.290   2.222
   20    HE3  TRP   3           3HE      TRP   3  -6.885   2.239  -0.018
   21    HZ2  TRP   3           2HZ      TRP   3 -10.213   2.452   3.713
   22    HZ3  TRP   3           3HZ      TRP   3  -6.642   3.891   1.800
   23    HH2  TRP   3           HH       TRP   3  -8.282   4.000   3.640
   24    H    GLY   4           H        GLY   4  -6.983  -1.305   1.498
   25    HA2  GLY   4           2HA      GLY   4  -7.476  -3.068   2.729
   26    HA3  GLY   4           1HA      GLY   4  -7.901  -4.014   1.248
   27    H    GLY   5           H        GLY   5  -4.992  -2.369   2.664
   28    HA2  GLY   5           2HA      GLY   5  -3.434  -4.809   2.164
   29    HA3  GLY   5           1HA      GLY   5  -2.931  -3.166   1.596
   30    H    ASP   6           H        ASP   6  -1.155  -4.393   3.128
   31    HA   ASP   6           HA       ASP   6  -1.716  -4.051   5.930
   32    HB2  ASP   6           2HB      ASP   6   0.812  -5.086   4.486
   33    HB3  ASP   6           1HB      ASP   6   0.493  -5.170   6.257
   34    H    CYS   7           H        CYS   7   0.403  -2.623   3.368
   35    HA   CYS   7           HA       CYS   7   1.488  -0.792   5.408
   36    HB2  CYS   7           2HB      CYS   7   2.929  -2.034   3.011
   37    HB3  CYS   7           1HB      CYS   7   3.622  -0.799   4.130
   38    H    THR   8           H        THR   8   2.833   0.211   2.604
   39    HA   THR   8           HA       THR   8   0.591   1.875   1.777
   40    HB   THR   8           HB       THR   8   3.268   2.931   2.860
   41    HG1  THR   8           1HG      THR   8   2.105   3.706   4.527
   42   HG21  THR   8          3HG2      THR   8   0.713   4.396   1.870
   43   HG22  THR   8          1HG2      THR   8   2.314   4.382   1.040
   44   HG23  THR   8          2HG2      THR   8   2.143   5.185   2.631
   45    H    ASP   9           H        ASP   9   0.890   2.568  -0.428
   46    HA   ASP   9           HA       ASP   9   3.337   1.642  -1.732
   47    HB2  ASP   9           2HB      ASP   9   2.261   2.452  -3.891
   48    HB3  ASP   9           1HB      ASP   9   1.582   0.986  -3.124
   49    H    PHE  10           H        PHE  10   1.651   4.515  -2.745
   50    HA   PHE  10           HA       PHE  10   3.745   6.304  -1.797
   51    HB2  PHE  10           2HB      PHE  10   1.173   6.776  -3.467
   52    HB3  PHE  10           1HB      PHE  10   2.372   8.054  -3.052
   53    HD1  PHE  10           1HD      PHE  10   4.794   7.716  -3.859
   54    HD2  PHE  10           2HD      PHE  10   1.506   5.369  -5.331
   55    HE1  PHE  10           1HE      PHE  10   6.135   7.075  -5.838
   56    HE2  PHE  10           2HE      PHE  10   2.848   4.731  -7.309
   57    HZ   PHE  10           HZ       PHE  10   5.165   5.581  -7.565
   58    H    LEU  11           H        LEU  11   3.246   7.915  -0.210
   59    HA   LEU  11           HA       LEU  11   1.130   7.121   1.562
   60    HB2  LEU  11           2HB      LEU  11   3.408   7.757   2.412
   61    HB3  LEU  11           1HB      LEU  11   3.166   9.411   1.771
   62    HG   LEU  11           HG       LEU  11   1.206   9.702   3.332
   63   HD11  LEU  11          1HD1      LEU  11   2.054   6.962   4.477
   64   HD12  LEU  11          2HD1      LEU  11   0.491   7.340   3.658
   65   HD13  LEU  11          3HD1      LEU  11   0.884   8.105   5.236
   66   HD21  LEU  11          3HD2      LEU  11   3.844   8.913   4.713
   67   HD22  LEU  11          1HD2      LEU  11   2.549   9.962   5.403
   68   HD23  LEU  11          2HD2      LEU  11   3.471  10.505   3.952
   69    H    GLY  12           H        GLY  12  -0.869   7.978   1.588
   70    HA2  GLY  12           2HA      GLY  12  -2.263   9.830   1.644
   71    HA3  GLY  12           1HA      GLY  12  -1.317  10.595   0.311
   72    H    CYS  13           H        CYS  13  -1.049   7.871  -1.022
   73    HA   CYS  13           HA       CYS  13  -3.437   8.170  -2.581
   74    HB2  CYS  13           2HB      CYS  13  -1.065   7.917  -3.496
   75    HB3  CYS  13           1HB      CYS  13  -1.130   6.191  -3.035
   76    H    GLY  14           H        GLY  14  -1.729   5.259  -1.133
   77    HA2  GLY  14           2HA      GLY  14  -4.079   4.404   0.161
   78    HA3  GLY  14           1HA      GLY  14  -3.847   3.556  -1.429
   79    H    THR  15           H        THR  15  -3.677   1.541   0.084
   80    HA   THR  15           HA       THR  15  -1.372   1.358   1.648
   81    HB   THR  15           HB       THR  15  -2.466  -0.887   2.011
   82    HG1  THR  15           1HG      THR  15  -4.438  -1.242   1.209
   83   HG21  THR  15          3HG2      THR  15  -2.894   1.104   3.499
   84   HG22  THR  15          1HG2      THR  15  -4.330   0.026   3.370
   85   HG23  THR  15          2HG2      THR  15  -4.283   1.574   2.450
   86    H    ALA  16           H        ALA  16  -0.493  -1.189   1.309
   87    HA   ALA  16           HA       ALA  16  -0.415  -1.862  -1.502
   88    HB1  ALA  16           1HB      ALA  16   2.030  -2.385  -1.487
   89    HB2  ALA  16           2HB      ALA  16   2.177  -1.618   0.140
   90    HB3  ALA  16           3HB      ALA  16   1.742  -0.623  -1.293
   91    H    TRP  17           H        TRP  17  -0.087  -4.089  -1.819
   92    HA   TRP  17           HA       TRP  17  -1.010  -5.639   0.438
   93    HB2  TRP  17           2HB      TRP  17  -0.492  -6.387  -2.513
   94    HB3  TRP  17           1HB      TRP  17  -1.206  -7.481  -1.277
   95    HD1  TRP  17           HD       TRP  17  -3.322  -5.267  -0.030
   96    HE1  TRP  17           1HE      TRP  17  -5.408  -4.706  -1.398
   97    HE3  TRP  17           3HE      TRP  17  -1.602  -6.718  -4.603
   98    HZ2  TRP  17           2HZ      TRP  17  -6.228  -4.866  -4.139
   99    HZ3  TRP  17           3HZ      TRP  17  -3.072  -6.475  -6.573
  100    HH2  TRP  17           HH       TRP  17  -5.354  -5.562  -6.347
  101    H    ILE  18           H        ILE  18   1.701  -5.624  -1.959
  102    HA   ILE  18           HA       ILE  18   3.203  -7.507  -0.403
  103    HB   ILE  18           HB       ILE  18   3.337  -7.576  -2.820
  104   HG12  ILE  18          2HG1      ILE  18   6.025  -6.734  -1.571
  105   HG13  ILE  18          1HG1      ILE  18   5.229  -8.330  -1.347
  106   HG21  ILE  18          1HG2      ILE  18   4.659  -4.785  -2.683
  107   HG22  ILE  18          2HG2      ILE  18   2.987  -5.121  -3.271
  108   HG23  ILE  18          3HG2      ILE  18   4.397  -5.791  -4.149
  109   HD11  ILE  18          3HD1      ILE  18   6.208  -7.155  -4.034
  110   HD12  ILE  18          1HD1      ILE  18   5.331  -8.720  -3.840
  111   HD13  ILE  18          2HD1      ILE  18   6.960  -8.495  -3.099
  112    H    CYS  19           H        CYS  19   4.820  -7.039   1.058
  113    HA   CYS  19           HA       CYS  19   5.713  -4.314   1.391
  114    HB2  CYS  19           2HB      CYS  19   3.516  -4.509   2.690
  115    HB3  CYS  19           1HB      CYS  19   4.246  -5.832   3.652
  116    H    VAL  20           H        VAL  20   7.591  -4.282   2.833
  117    HA   VAL  20           HA       VAL  20   9.106  -6.701   2.636
  118    HB   VAL  20           HB       VAL  20  10.176  -4.621   2.097
  119   HG11  VAL  20          1HG1      VAL  20   8.864  -3.074   3.577
  120   HG12  VAL  20          2HG1      VAL  20  10.639  -2.869   3.770
  121   HG13  VAL  20          3HG1      VAL  20   9.705  -3.749   5.026
  122   HG21  VAL  20          3HG2      VAL  20  12.220  -4.926   3.453
  123   HG22  VAL  20          1HG2      VAL  20  11.499  -6.527   3.045
  124   HG23  VAL  20          2HG2      VAL  20  11.306  -5.843   4.704