*HEADER    ANTIMICROBIAL PROTEIN                   21-MAR-16   2NC7              
*TITLE     ANTIMICROBIAL PEPTIDE PROTEGRIN PG-5                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PROTEGRIN-5;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 131-148;                                      
*COMPND   5 SYNONYM: PG-5;                                                       
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SUS SCROFA;                                     
*SOURCE   3 ORGANISM_COMMON: PIGS,SWINE,WILD BOAR;                               
*SOURCE   4 ORGANISM_TAXID: 9823;                                                
*SOURCE   5 GENE: NPG5                                                           
*KEYWDS    PROTEGRIN, ANTIMICROBIAL PEPTIDE, DPC MICELLE, ANTIMICROBIAL PROTEIN  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    O.A.KOLOSOVA,E.A.KLOCHKOVA,A.V.AGANOV,V.V.KLOCHKOV                    
*REVDAT   1   19-APR-17 2NC7    0                                                
!A.3 Hbonds: intramonomer A
assign (residue   12 and  name N    )(residue    9 and  name O    ) 2.8 0.4 0.5
assign (residue    9 and  name N    )(residue   12 and  name O    ) 2.8 0.4 0.5
assign (residue   14 and  name N    )(residue    7 and  name O    ) 2.8 0.4 0.5
assign (residue    7 and  name N    )(residue   14 and  name O    ) 2.8 0.4 0.5
assign (residue   16 and  name N    )(residue    5 and  name O    ) 2.8 0.4 0.5
assign (residue    5 and  name N    )(residue   16 and  name O    ) 2.8 0.4 0.5
assign (residue   12 and  name HN   )(residue    9 and  name O    ) 1.8 0.3 0.5
assign (residue    9 and  name HN   )(residue   12 and  name O    ) 1.8 0.3 0.5
assign (residue   14 and  name HN   )(residue    7 and  name O    ) 1.8 0.3 0.5
assign (residue    7 and  name HN   )(residue   14 and  name O    ) 1.8 0.3 0.5
assign (residue   16 and  name HN   )(residue    5 and  name O    ) 1.8 0.3 0.5
assign (residue    5 and  name HN   )(residue   16 and  name O    ) 1.8 0.3 0.5
assign (residue   15 and  name HA   )(residue    6 and  name HA   ) 1.8 0.3 0.5
assign (residue   13 and  name HA   )(residue    8 and  name HA   ) 1.8 0.3 0.5

!A INTRAMONOMER NOES
!A.1.1 short range interresidue (|i - j| <= 5) NOEs: intramonomer A

!CaH(i)-HN(i+1) 

assign (residue 1 and name HA   ) (residue 2 and name HN   )  2.50 2.50 0.50
assign (residue 3 and name HA#  ) (residue 4 and name HN   )  2.50 2.50 0.50
assign (residue 3 and name HA#  ) (residue 5 and name HN   )  4.50 4.50 0.50
assign (residue 3 and name HA#  ) (residue 18 and name HN  )  4.50 4.50 0.50
assign (residue 6 and name HA   ) (residue 7 and name HN   )  3.50 3.50 0.50
assign (residue 6 and name HA   ) (residue 8 and name HN   )  4.50 4.50 1.50
assign (residue 7 and name HA   ) (residue 8 and name HN   )  3.50 3.50 0.50
assign (residue 8 and name HA   ) (residue 9 and name HN   )  3.50 3.50 0.50
assign (residue 11 and name HA  ) (residue 12 and name HN  )  3.50 3.50 0.50
assign (residue 12 and name HA  ) (residue 13 and name HN  )  3.50 3.50 0.50
assign (residue 13 and name HA  ) (residue 14 and name HN  )  2.50 2.50 0.50
assign (residue 14 and name HA  ) (residue 15 and name HN  )  3.50 3.50 0.50
assign (residue 15 and name HA  ) (residue 16 and name HN  )  2.50 2.50 0.50
assign (residue 16 and name HA  ) (residue 17 and name HN  )  3.50 3.50 0.50
assign (residue 17 and name HA# ) (residue 18 and name HN  )  2.50 2.50 0.50
assign (residue 18 and name HA  ) (residue 3 and name HN   )  4.50 4.50 0.50

!HN(i)-HN(i+1) NOEs 
assign (residue 2 and name HN   ) (residue 3 and name HN   )  3.50 3.50 0.50
assign (residue 3 and name HN   ) (residue 4 and name HN   )  3.50 3.50 0.50
assign (residue 4 and name HN   ) (residue 5 and name HN   )  4.50 4.50 0.50
assign (residue 5 and name HN   ) (residue 6 and name HN   )  3.50 3.50 0.50
assign (residue 7 and name HN   ) (residue 8 and name HN   )  3.50 3.50 0.50
assign (residue 13 and name HN  ) (residue 14 and name HN  )  3.50 3.50 0.50
assign (residue 14 and name HN  ) (residue 15 and name HN  )  4.50 1.50 1.00
assign (residue 15 and name HN  ) (residue 16 and name HN  )  4.50 4.50 0.50
assign (residue 16 and name HN  ) (residue 17 and name HN  )  3.50 3.50 0.50
assign (residue 17 and name HN  ) (residue 18 and name HN  )  3.50 3.50 0.50

!CbH(i)-HN(i+1)
assign (residue 1 and name HB#  ) (residue 2 and name HN   )  3.50 3.50 0.50
assign (residue 4 and name HB#  ) (residue 5 and name HN   )  3.50 3.50 0.50
assign (residue 7 and name HB1  ) (residue 8 and name HN   )  3.50 3.50 0.50
assign (residue 7 and name HB2  ) (residue 8 and name HN   )  3.50 3.50 0.50
assign (residue 8 and name HB#  ) (residue 9 and name HN   )  3.50 3.50 0.50
assign (residue 13 and name HB# ) (residue 14 and name HN  )  4.50 4.50 0.50
assign (residue 14 and name HB  ) (residue 13 and name HN  )  3.50 3.50 0.50
assign (residue 14 and name HB  ) (residue 15 and name HN  )  3.50 0.50 0.50
assign (residue 15 and name HB# ) (residue 16 and name HN  )  3.50 1.50 0.50
assign (residue 16 and name HB  ) (residue 17 and name HN  )  4.50 4.50 0.50
assign (residue 17 and name HN  ) (residue 18 and name HN  )  3.50 3.50 0.50
assign (residue 18 and name HB1 ) (residue 17 and name HN  )  2.50 2.50 0.50

!HN(i)-HN(i+2) NOEs
assign (residue 4 and name HN   ) (residue 6 and name HN   )  4.50 4.50 1.50

!HN(i)-HN(i+3) NOEs
assign (residue 9 and name HN   ) (residue 12 and name HN  )  4.50 2.50 1.50


!--------------------long rage---------------------------------------
assign (residue 14 and name HB  ) (residue 7 and name HD#  )  5.50 3.50 0.50
assign (residue 14 and name HB  ) (residue 7 and name HE#  )  4.50 4.50 0.50
assign (residue 18 and name HN  ) (residue 3 and name HN   )  4.50 4.50 0.50
!---------------------other---------------------------------------------
assign (residue 1 and name HD#  ) (residue 2 and name HN   )  3.50 3.50 0.50
assign (residue 1 and name HG#  ) (residue 2 and name HN   )  3.50 3.50 0.50
assign (residue 3 and name HA#  ) (residue 4 and name HA   )  3.50 3.50 0.50
assign (residue 3 and name HA#  ) (residue 4 and name HE   )  3.50 3.50 0.50
assign (residue 4 and name HB#  ) (residue 5 and name HA   )  4.50 1.80 0.50
assign (residue 4 and name HG#  ) (residue 1 and name HB#  )  3.50 1.80 0.50
assign (residue 5 and name HD1# ) (residue 4 and name HE   )  4.50 4.50 0.50
assign (residue 5 and name HD1# ) (residue 4 and name HN   )  4.50 4.50 0.50
assign (residue 5 and name HD2# ) (residue 4 and name HE   )  4.50 4.50 0.50
assign (residue 5 and name HD2# ) (residue 4 and name HN   )  4.50 4.50 0.50
assign (residue 6 and name HA   ) (residue 7 and name HD#  )  3.50 3.50 0.50
assign (residue 6 and name HA   ) (residue 7 and name HE#  )  3.50 3.50 0.50
assign (residue 7 and name HD#  ) (residue 6 and name HN   )  3.50 3.50 0.50
assign (residue 7 and name HD#  ) (residue 8 and name HN   )  3.50 3.50 0.50
assign (residue 7 and name HE#  ) (residue 6 and name HN   )  3.50 3.50 0.50
assign (residue 8 and name HB#  ) (residue 9 and name HE   )  4.50 4.50 0.50
assign (residue 8 and name HB#  ) (residue 7 and name HD#  )  5.50 3.50 0.50
assign (residue 10 and name HD1 ) (residue 9 and name HE   )  4.50 2.50 0.50
assign (residue 10 and name HD2 ) (residue 9 and name HE   )  4.50 2.50 0.50
assign (residue 10 and name HD1 ) (residue 9 and name HN   )  4.50 2.50 0.50
assign (residue 10 and name HD2 ) (residue 9 and name HN   )  4.50 2.50 0.50
assign (residue 11 and name HA  ) (residue 12 and name HE# )  4.50 4.50 1.50
assign (residue 11 and name HA  ) (residue 12 and name HD# )  4.50 3.50 0.50
assign (residue 12 and name HD# ) (residue 13 and name HN  )  4.50 4.50 0.50
assign (residue 13 and name HA  ) (residue 12 and name HE# )  4.50 4.50 0.50
assign (residue 13 and name HA  ) (residue 12 and name HD# )  3.50 3.50 0.50
assign (residue 13 and name HB# ) (residue 12 and name HD# )  4.50 1.50 0.50
assign (residue 14 and name HG1#) (residue 15 and name HN  )  3.50 3.50 0.50
assign (residue 16 and name HA  ) (residue 17 and name HA# )  3.50 3.50 0.50
assign (residue 16 and name HG1#) (residue 17 and name HN  )  3.50 3.50 0.50
assign (residue 17 and name HA# ) (residue 18 and name NE  )  4.50 4.50 0.50
assign (residue 18 and name HG# ) (residue 17 and name HN  )  4.50 4.50 0.50
assign (residue 18 and name HA  ) (residue 17 and name HA# )  3.50 3.50 0.50
!------------------------Interresidue----------------------------------
!Arg1
assign (residue 1 and name HA   ) (residue 1 and name HE   )  3.50 1.80 0.50
assign (residue 1 and name HB#  ) (residue 1 and name HE   )  3.50 1.80 0.50
assign (residue 1 and name HD#  ) (residue 1 and name HE   )  3.50 1.80 0.50
assign (residue 1 and name HG#  ) (residue 1 and name HE   )  3.50 1.80 0.50
!Gly2
assign (residue 2 and name HA#  ) (residue 2 and name HN   )  3.50 1.80 0.50
!Gly3
assign (residue 3 and name HA#  ) (residue 3 and name HN   )  3.50 1.80 0.50
!Arg4
assign (residue 4 and name HA   ) (residue 4 and name HE   )  3.50 1.80 0.50
assign (residue 4 and name HA   ) (residue 4 and name HN   )  3.50 1.80 0.50
assign (residue 4 and name HB#  ) (residue 4 and name HN   )  3.50 1.80 0.50
assign (residue 4 and name HD#  ) (residue 4 and name HA   )  3.50 1.80 0.50
assign (residue 4 and name HD#  ) (residue 4 and name HE   )  3.50 1.80 0.50
assign (residue 4 and name HD#  ) (residue 4 and name HN   )  3.50 1.80 0.50
assign (residue 4 and name HE   ) (residue 4 and name HN   )  3.50 1.80 0.50
!Leu5
assign (residue 5 and name HA   ) (residue 5 and name HN   )  3.50 1.80 0.50
assign (residue 5 and name HB#  ) (residue 5 and name HN   )  3.50 1.80 0.50
assign (residue 5 and name HD1# ) (residue 5 and name HA   )  3.50 1.80 0.50
assign (residue 5 and name HD1# ) (residue 5 and name HB#  )  3.50 1.80 0.50
assign (residue 5 and name HD1# ) (residue 5 and name HG   )  3.50 1.80 0.50
assign (residue 5 and name HD1# ) (residue 5 and name HN   )  3.50 1.80 0.50
assign (residue 5 and name HD2# ) (residue 5 and name HA   )  3.50 1.80 0.50
assign (residue 5 and name HD2# ) (residue 5 and name HG   )  3.50 1.80 0.50
assign (residue 5 and name HD2# ) (residue 5 and name HN   )  3.50 1.80 0.50
assign (residue 5 and name HG   ) (residue 5 and name HA   )  3.50 1.80 0.50
assign (residue 5 and name HG   ) (residue 5 and name HN   )  3.50 1.80 0.50
!Cys6
assign (residue 6 and name HA   ) (residue 6 and name HN   )  3.50 1.80 0.50
assign (residue 6 and name HB#  ) (residue 6 and name HA   )  3.50 1.80 0.50
assign (residue 6 and name HB#  ) (residue 6 and name HN   )  3.50 1.80 0.50
!Tyr7
assign (residue 7 and name HA   ) (residue 7 and name HD#  )  3.50 1.80 0.50
assign (residue 7 and name HA   ) (residue 7 and name HE#  )  5.50 1.80 0.50
assign (residue 7 and name HA   ) (residue 7 and name HN   )  3.50 1.80 0.50
assign (residue 7 and name HB1  ) (residue 7 and name HA   )  3.50 1.80 0.50
assign (residue 7 and name HB1  ) (residue 7 and name HD#  )  3.50 1.80 0.50
assign (residue 7 and name HB1  ) (residue 7 and name HE#  )  3.50 1.80 0.50
assign (residue 7 and name HB1  ) (residue 7 and name HN   )  3.50 1.80 0.50
assign (residue 7 and name HB2  ) (residue 7 and name HA   )  3.50 1.80 0.50
assign (residue 7 and name HB2  ) (residue 7 and name HD#  )  3.50 1.80 0.50
assign (residue 7 and name HB2  ) (residue 7 and name HE#  )  3.50 1.80 0.50
assign (residue 7 and name HB2  ) (residue 7 and name HN   )  3.50 1.80 0.50
assign (residue 7 and name HD#  ) (residue 7 and name HN   )  3.50 1.80 0.50
assign (residue 7 and name HE#  ) (residue 7 and name HD#  )  3.50 1.80 0.50
assign (residue 7 and name HE#  ) (residue 7 and name HN   )  3.50 1.80 0.50
!Cys8
assign (residue 8 and name HA   ) (residue 8 and name HN   )  3.50 1.80 0.50
assign (residue 8 and name HB#  ) (residue 8 and name HN   )  3.50 1.80 0.50
!Arg9
assign (residue 9 and name HA   ) (residue 9 and name HE   )  3.50 1.80 0.50
assign (residue 9 and name HA   ) (residue 9 and name HN   )  3.50 1.80 0.50
assign (residue 9 and name HB1  ) (residue 9 and name HN   )  3.50 1.80 0.50
assign (residue 9 and name HB2  ) (residue 9 and name HN   )  3.50 1.80 0.50
assign (residue 9 and name HD#  ) (residue 9 and name HA   )  3.50 1.80 0.50
assign (residue 9 and name HD#  ) (residue 9 and name HN   )  3.50 1.80 0.50
assign (residue 9 and name HE   ) (residue 9 and name HN   )  3.50 1.80 0.50
assign (residue 9 and name HG#  ) (residue 9 and name HN   )  3.50 1.80 0.50
!Pro10
assign (residue 10 and name HD1 ) (residue 10 and name HD2 )  3.50 1.80 0.50
assign (residue 10 and name HD2 ) (residue 10 and name HA  )  3.50 1.80 0.50
!Arg11
assign (residue 11 and name HA  ) (residue 11 and name HE  )  3.50 1.80 0.50
assign (residue 11 and name HA  ) (residue 11 and name HN  )  3.50 1.80 0.50
assign (residue 11 and name HB1 ) (residue 11 and name HN  )  3.50 1.80 0.50
assign (residue 11 and name HB2 ) (residue 11 and name HN  )  3.50 1.80 0.50
assign (residue 11 and name HD# ) (residue 11 and name HN  )  3.50 1.80 0.50
assign (residue 11 and name HG# ) (residue 11 and name HN  )  3.50 1.80 0.50
!Phe12
assign (residue 12 and name HA  ) (residue 12 and name HD# )  3.50 1.80 0.50
assign (residue 12 and name HA  ) (residue 12 and name HE# )  5.50 1.80 0.50
assign (residue 12 and name HA  ) (residue 12 and name HN  )  3.50 1.80 0.50
assign (residue 12 and name HD# ) (residue 12 and name HN  )  3.50 1.80 0.50
!Cys13
assign (residue 13 and name HB# ) (residue 13 and name HN  )  3.50 1.80 0.50
!Val14
assign (residue 14 and name HA  ) (residue 14 and name HN  )  3.50 1.80 0.50
assign (residue 14 and name HB  ) (residue 14 and name HA  )  3.50 1.80 0.50
assign (residue 14 and name HG# ) (residue 14 and name HA  )  3.50 1.80 0.50
assign (residue 14 and name HG# ) (residue 14 and name HB  )  3.50 1.80 0.50
assign (residue 14 and name HG# ) (residue 14 and name HN  )  3.50 1.80 0.50
!Cys15
assign (residue 15 and name HA  ) (residue 15 and name HN  )  3.50 1.80 0.50
assign (residue 15 and name HB# ) (residue 15 and name HN  )  3.50 1.80 0.50
!Val16
assign (residue 16 and name HA  ) (residue 16 and name HN  )  3.50 1.80 0.50
assign (residue 16 and name HB  ) (residue 16 and name HA  )  3.50 1.80 0.50
assign (residue 16 and name HB  ) (residue 16 and name HN  )  3.50 1.80 0.50
assign (residue 16 and name HG# ) (residue 16 and name HA  )  3.50 1.80 0.50
assign (residue 16 and name HG# ) (residue 16 and name HB  )  3.50 1.80 0.50
assign (residue 16 and name HG# ) (residue 16 and name HN  )  3.50 1.80 0.50
!Gly17
assign (residue 17 and name HA# ) (residue 17 and name HN  )  3.50 1.80 0.50
!Arg18
assign (residue 18 and name HA  ) (residue 18 and name NE  )  3.50 1.80 0.50
assign (residue 18 and name HA  ) (residue 18 and name HN  )  3.50 1.80 0.50
assign (residue 18 and name HB1 ) (residue 18 and name NE  )  3.50 1.80 0.50
assign (residue 18 and name HB1 ) (residue 18 and name HN  )  3.50 1.80 0.50
assign (residue 18 and name HB2 ) (residue 18 and name NE  )  3.50 1.80 0.50
assign (residue 18 and name HB2 ) (residue 18 and name HN  )  3.50 1.80 0.50
assign (residue 18 and name HD# ) (residue 18 and name NE  )  3.50 1.80 0.50
assign (residue 18 and name HD# ) (residue 18 and name HN  )  3.50 1.80 0.50
assign (residue 18 and name HG# ) (residue 18 and name NE  )  3.50 1.80 0.50
assign (residue 18 and name HG# ) (residue 18 and name HN  )  3.50 1.80 0.50
assign (residue 18 and name HE  ) (residue 18 and name HN  )  3.50 1.80 0.50
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ARG   1           HT1      ARG   1  12.463  -5.781 -11.662
    2    H2   ARG   1           HT2      ARG   1  11.779  -6.726 -12.899
    3    H3   ARG   1           HT3      ARG   1  13.284  -7.150 -12.235
    4    HA   ARG   1           HA       ARG   1  11.434  -8.562 -11.409
    5    HB2  ARG   1           HB2      ARG   1  13.656  -7.492 -10.222
    6    HB3  ARG   1           HB1      ARG   1  12.404  -7.020  -9.074
    7    HG2  ARG   1           HG2      ARG   1  13.196  -9.180  -8.381
    8    HG3  ARG   1           HG1      ARG   1  11.611  -9.432  -9.112
    9    HD2  ARG   1           HD2      ARG   1  13.109 -11.124 -10.002
   10    HD3  ARG   1           HD1      ARG   1  12.817  -9.945 -11.295
   11    HE   ARG   1           HE       ARG   1  15.047  -9.048  -9.765
   12   HH11  ARG   1          HH11      ARG   1  16.181  -8.752 -12.048
   13   HH12  ARG   1          HH12      ARG   1  16.861 -10.244 -12.607
   14   HH21  ARG   1          HH21      ARG   1  15.026 -12.207 -10.414
   15   HH22  ARG   1          HH22      ARG   1  16.206 -12.201 -11.681
   16    H    GLY   2           HN       GLY   2  10.199  -8.132  -8.986
   17    HA2  GLY   2           HA2      GLY   2   7.873  -6.573  -9.757
   18    HA3  GLY   2           HA1      GLY   2   8.099  -7.394  -8.212
   19    H    GLY   3           HN       GLY   3  10.435  -6.185  -7.297
   20    HA2  GLY   3           HA2      GLY   3  10.609  -3.373  -7.502
   21    HA3  GLY   3           HA1      GLY   3   9.447  -3.719  -6.222
   22    H    ARG   4           HN       ARG   4  12.441  -2.796  -6.514
   23    HA   ARG   4           HA       ARG   4  13.281  -4.454  -4.213
   24    HB2  ARG   4           HB2      ARG   4  15.046  -3.317  -6.406
   25    HB3  ARG   4           HB1      ARG   4  15.573  -4.344  -5.080
   26    HG2  ARG   4           HG2      ARG   4  15.363  -5.869  -6.850
   27    HG3  ARG   4           HG1      ARG   4  13.839  -6.052  -5.989
   28    HD2  ARG   4           HD2      ARG   4  13.942  -5.697  -8.661
   29    HD3  ARG   4           HD1      ARG   4  12.608  -5.059  -7.691
   30    HE   ARG   4           HE       ARG   4  13.684  -2.863  -7.739
   31   HH11  ARG   4          HH11      ARG   4  16.245  -4.769  -8.491
   32   HH12  ARG   4          HH12      ARG   4  16.717  -3.936  -9.935
   33   HH21  ARG   4          HH21      ARG   4  13.830  -2.022 -10.090
   34   HH22  ARG   4          HH22      ARG   4  15.349  -2.381 -10.840
   35    H    LEU   5           HN       LEU   5  12.936  -2.979  -2.610
   36    HA   LEU   5           HA       LEU   5  13.936  -0.204  -3.015
   37    HB2  LEU   5           HB2      LEU   5  11.795  -1.344  -1.184
   38    HB3  LEU   5           HB1      LEU   5  12.211   0.363  -1.320
   39    HG   LEU   5           HG       LEU   5  10.311   0.096  -2.717
   40   HD11  LEU   5          HD11      LEU   5  11.114   0.896  -4.727
   41   HD12  LEU   5          HD12      LEU   5  12.371  -0.335  -4.834
   42   HD13  LEU   5          HD13      LEU   5  12.579   1.044  -3.756
   43   HD21  LEU   5          HD21      LEU   5   9.731  -1.832  -3.767
   44   HD22  LEU   5          HD22      LEU   5  11.024  -2.566  -2.821
   45   HD23  LEU   5          HD23      LEU   5  11.334  -2.033  -4.472
   46    H    CYS   6           HN       CYS   6  15.870  -0.077  -2.098
   47    HA   CYS   6           HA       CYS   6  16.203  -0.894   0.740
   48    HB2  CYS   6           HB2      CYS   6  17.278  -2.269  -1.591
   49    HB3  CYS   6           HB1      CYS   6  18.581  -1.694  -0.550
   50    H    TYR   7           HN       TYR   7  16.962   0.804   1.741
   51    HA   TYR   7           HA       TYR   7  19.278   2.301   0.839
   52    HB2  TYR   7           HB2      TYR   7  17.593   4.406   0.939
   53    HB3  TYR   7           HB1      TYR   7  17.869   3.530  -0.561
   54    HD1  TYR   7           HD1      TYR   7  15.856   3.454   2.514
   55    HD2  TYR   7           HD2      TYR   7  16.216   2.632  -1.646
   56    HE1  TYR   7           HE1      TYR   7  13.503   2.760   2.464
   57    HE2  TYR   7           HE2      TYR   7  13.872   1.933  -1.760
   58    HH   TYR   7           HH       TYR   7  11.976   1.423   1.121
   59    H    CYS   8           HN       CYS   8  19.769   3.877   2.421
   60    HA   CYS   8           HA       CYS   8  18.275   3.780   4.975
   61    HB2  CYS   8           HB2      CYS   8  19.989   1.931   4.681
   62    HB3  CYS   8           HB1      CYS   8  21.212   3.195   4.795
   63    H    ARG   9           HN       ARG   9  18.044   5.777   5.553
   64    HA   ARG   9           HA       ARG   9  20.207   7.803   5.212
   65    HB2  ARG   9           HB2      ARG   9  17.256   7.800   4.652
   66    HB3  ARG   9           HB1      ARG   9  18.075   9.320   5.007
   67    HG2  ARG   9           HG2      ARG   9  18.242   9.174   2.673
   68    HG3  ARG   9           HG1      ARG   9  19.793   8.542   3.222
   69    HD2  ARG   9           HD2      ARG   9  18.005   6.333   3.172
   70    HD3  ARG   9           HD1      ARG   9  17.790   7.207   1.642
   71    HE   ARG   9           HE       ARG   9  20.524   6.514   2.649
   72   HH11  ARG   9          HH11      ARG   9  21.105   4.660   1.188
   73   HH12  ARG   9          HH12      ARG   9  20.813   4.948  -0.496
   74   HH21  ARG   9          HH21      ARG   9  18.841   7.746   0.052
   75   HH22  ARG   9          HH22      ARG   9  19.532   6.695  -1.138
   76    HA   PRO  10           HA       PRO  10  19.818   8.109   9.610
   77    HB2  PRO  10           HB2      PRO  10  20.590  10.752   9.909
   78    HB3  PRO  10           HB1      PRO  10  21.722   9.399   9.693
   79    HG2  PRO  10           HG2      PRO  10  20.608  11.266   7.630
   80    HG3  PRO  10           HG1      PRO  10  22.288  10.751   7.884
   81    HD2  PRO  10           HD2      PRO  10  20.851   9.605   5.979
   82    HD3  PRO  10           HD1      PRO  10  21.885   8.594   7.019
   83    H    ARG  11           HN       ARG  11  18.031   9.934   7.315
   84    HA   ARG  11           HA       ARG  11  16.239  11.232   9.236
   85    HB2  ARG  11           HB2      ARG  11  16.378  10.931   6.246
   86    HB3  ARG  11           HB1      ARG  11  15.056  11.780   7.047
   87    HG2  ARG  11           HG2      ARG  11  16.366  13.619   6.954
   88    HG3  ARG  11           HG1      ARG  11  17.321  12.868   8.232
   89    HD2  ARG  11           HD2      ARG  11  18.355  11.597   6.052
   90    HD3  ARG  11           HD1      ARG  11  17.955  13.180   5.353
   91    HE   ARG  11           HE       ARG  11  19.468  13.013   7.927
   92   HH11  ARG  11          HH11      ARG  11  20.326  12.991   4.767
   93   HH12  ARG  11          HH12      ARG  11  21.124  14.529   4.749
   94   HH21  ARG  11          HH21      ARG  11  19.959  15.467   7.876
   95   HH22  ARG  11          HH22      ARG  11  20.916  15.930   6.509
   96    H    PHE  12           HN       PHE  12  16.443   8.372   7.349
   97    HA   PHE  12           HA       PHE  12  14.292   6.968   8.729
   98    HB2  PHE  12           HB2      PHE  12  12.911   6.823   6.614
   99    HB3  PHE  12           HB1      PHE  12  13.005   8.481   7.238
  100    HD1  PHE  12           HD1      PHE  12  14.357  10.134   6.204
  101    HD2  PHE  12           HD2      PHE  12  14.318   6.126   4.703
  102    HE1  PHE  12           HE1      PHE  12  15.545  10.906   4.182
  103    HE2  PHE  12           HE2      PHE  12  15.493   6.881   2.660
  104    HZ   PHE  12           HZ       PHE  12  16.111   9.276   2.383
  105    H    CYS  13           HN       CYS  13  14.329   4.646   7.797
  106    HA   CYS  13           HA       CYS  13  16.056   4.198   5.540
  107    HB2  CYS  13           HB2      CYS  13  17.873   4.718   6.866
  108    HB3  CYS  13           HB1      CYS  13  17.084   4.192   8.344
  109    H    VAL  14           HN       VAL  14  15.486   2.223   4.722
  110    HA   VAL  14           HA       VAL  14  14.812  -0.059   6.422
  111    HB   VAL  14           HB       VAL  14  12.832   1.797   5.252
  112   HG11  VAL  14          HG11      VAL  14  12.563  -1.205   5.019
  113   HG12  VAL  14          HG12      VAL  14  12.341   0.003   3.754
  114   HG13  VAL  14          HG13      VAL  14  11.162  -0.133   5.058
  115   HG21  VAL  14          HG21      VAL  14  13.200   0.063   7.636
  116   HG22  VAL  14          HG22      VAL  14  11.538   0.381   7.138
  117   HG23  VAL  14          HG23      VAL  14  12.613   1.723   7.531
  118    H    CYS  15           HN       CYS  15  14.531  -1.985   5.160
  119    HA   CYS  15           HA       CYS  15  15.298  -1.741   2.272
  120    HB2  CYS  15           HB2      CYS  15  16.723  -2.850   4.507
  121    HB3  CYS  15           HB1      CYS  15  16.303  -4.162   3.406
  122    H    VAL  16           HN       VAL  16  13.905  -2.823   0.961
  123    HA   VAL  16           HA       VAL  16  12.680  -5.353   1.671
  124    HB   VAL  16           HB       VAL  16  10.369  -3.929   1.151
  125   HG11  VAL  16          HG11      VAL  16  11.190  -5.676   2.987
  126   HG12  VAL  16          HG12      VAL  16   9.725  -4.721   3.209
  127   HG13  VAL  16          HG13      VAL  16  11.227  -4.226   3.991
  128   HG21  VAL  16          HG21      VAL  16  11.836  -2.309   3.235
  129   HG22  VAL  16          HG22      VAL  16  10.330  -1.925   2.402
  130   HG23  VAL  16          HG23      VAL  16  11.864  -1.837   1.536
  131    H    GLY  17           HN       GLY  17  12.168  -6.433  -0.097
  132    HA2  GLY  17           HA2      GLY  17  11.391  -5.161  -2.567
  133    HA3  GLY  17           HA1      GLY  17  13.056  -5.752  -2.618
  134    H    ARG  18           HN       ARG  18   9.795  -6.625  -2.923
  135    HA   ARG  18           HA       ARG  18  10.638  -9.354  -3.419
  136    HB2  ARG  18           HB2      ARG  18   9.353 -10.333  -1.611
  137    HB3  ARG  18           HB1      ARG  18  10.437  -9.096  -0.954
  138    HG2  ARG  18           HG2      ARG  18   7.635  -8.336  -1.755
  139    HG3  ARG  18           HG1      ARG  18   7.912  -9.133  -0.209
  140    HD2  ARG  18           HD2      ARG  18   9.029  -6.481  -1.155
  141    HD3  ARG  18           HD1      ARG  18   8.073  -6.815   0.300
  142    HE   ARG  18           HE       ARG  18  10.920  -7.570  -0.089
  143   HH11  ARG  18          HH11      ARG  18  11.176  -9.387   1.566
  144   HH12  ARG  18          HH12      ARG  18  10.596  -8.969   3.143
  145   HH21  ARG  18          HH21      ARG  18   8.817  -6.202   2.048
  146   HH22  ARG  18          HH22      ARG  18   9.262  -7.166   3.417
  Start of MODEL    2
    1    H1   ARG   1           HT1      ARG   1  14.070  -8.366 -10.887
    2    H2   ARG   1           HT2      ARG   1  13.411  -6.801 -10.817
    3    H3   ARG   1           HT3      ARG   1  12.904  -7.887 -12.022
    4    HA   ARG   1           HA       ARG   1  11.915  -9.331 -10.335
    5    HB2  ARG   1           HB2      ARG   1  13.777  -8.110  -8.767
    6    HB3  ARG   1           HB1      ARG   1  12.327  -7.234  -8.275
    7    HG2  ARG   1           HG2      ARG   1  11.282  -9.150  -7.455
    8    HG3  ARG   1           HG1      ARG   1  12.231 -10.227  -8.479
    9    HD2  ARG   1           HD2      ARG   1  13.883  -8.667  -6.609
   10    HD3  ARG   1           HD1      ARG   1  12.743  -9.766  -5.807
   11    HE   ARG   1           HE       ARG   1  13.649 -11.506  -7.525
   12   HH11  ARG   1          HH11      ARG   1  15.315 -10.530  -5.008
   13   HH12  ARG   1          HH12      ARG   1  16.900 -10.564  -5.706
   14   HH21  ARG   1          HH21      ARG   1  15.749 -10.835  -8.965
   15   HH22  ARG   1          HH22      ARG   1  17.146 -10.736  -7.945
   16    H    GLY   2           HN       GLY   2  10.272  -7.806  -8.440
   17    HA2  GLY   2           HA2      GLY   2   8.644  -6.267 -10.418
   18    HA3  GLY   2           HA1      GLY   2   7.978  -7.102  -9.014
   19    H    GLY   3           HN       GLY   3  10.196  -6.140  -7.271
   20    HA2  GLY   3           HA2      GLY   3  10.067  -3.229  -7.262
   21    HA3  GLY   3           HA1      GLY   3   9.055  -3.959  -6.017
   22    H    ARG   4           HN       ARG   4  11.980  -2.627  -6.476
   23    HA   ARG   4           HA       ARG   4  13.070  -4.261  -4.266
   24    HB2  ARG   4           HB2      ARG   4  14.626  -3.014  -6.553
   25    HB3  ARG   4           HB1      ARG   4  15.291  -4.019  -5.273
   26    HG2  ARG   4           HG2      ARG   4  15.053  -5.550  -7.029
   27    HG3  ARG   4           HG1      ARG   4  13.586  -5.808  -6.091
   28    HD2  ARG   4           HD2      ARG   4  13.538  -5.433  -8.765
   29    HD3  ARG   4           HD1      ARG   4  12.223  -4.878  -7.723
   30    HE   ARG   4           HE       ARG   4  13.166  -2.626  -7.808
   31   HH11  ARG   4          HH11      ARG   4  15.590  -1.930  -8.200
   32   HH12  ARG   4          HH12      ARG   4  16.048  -2.124  -9.859
   33   HH21  ARG   4          HH21      ARG   4  13.385  -4.206 -10.628
   34   HH22  ARG   4          HH22      ARG   4  14.800  -3.412 -11.233
   35    H    LEU   5           HN       LEU   5  12.726  -2.813  -2.633
   36    HA   LEU   5           HA       LEU   5  13.618  -0.001  -3.052
   37    HB2  LEU   5           HB2      LEU   5  11.588  -1.204  -1.134
   38    HB3  LEU   5           HB1      LEU   5  11.952   0.511  -1.290
   39    HG   LEU   5           HG       LEU   5   9.993   0.186  -2.592
   40   HD11  LEU   5          HD11      LEU   5  10.676   1.035  -4.620
   41   HD12  LEU   5          HD12      LEU   5  11.950  -0.169  -4.813
   42   HD13  LEU   5          HD13      LEU   5  12.189   1.202  -3.729
   43   HD21  LEU   5          HD21      LEU   5   9.424  -1.755  -3.618
   44   HD22  LEU   5          HD22      LEU   5  10.791  -2.451  -2.750
   45   HD23  LEU   5          HD23      LEU   5  10.992  -1.897  -4.411
   46    H    CYS   6           HN       CYS   6  15.588   0.152  -2.216
   47    HA   CYS   6           HA       CYS   6  16.066  -0.739   0.581
   48    HB2  CYS   6           HB2      CYS   6  17.068  -2.001  -1.839
   49    HB3  CYS   6           HB1      CYS   6  18.404  -1.413  -0.850
   50    H    TYR   7           HN       TYR   7  16.840   0.931   1.616
   51    HA   TYR   7           HA       TYR   7  19.058   2.532   0.645
   52    HB2  TYR   7           HB2      TYR   7  17.312   4.576   0.963
   53    HB3  TYR   7           HB1      TYR   7  17.550   3.802  -0.597
   54    HD1  TYR   7           HD1      TYR   7  15.877   2.918  -1.665
   55    HD2  TYR   7           HD2      TYR   7  15.688   3.458   2.552
   56    HE1  TYR   7           HE1      TYR   7  13.553   2.147  -1.719
   57    HE2  TYR   7           HE2      TYR   7  13.355   2.698   2.563
   58    HH   TYR   7           HH       TYR   7  11.380   2.700   0.511
   59    H    CYS   8           HN       CYS   8  19.620   4.032   2.267
   60    HA   CYS   8           HA       CYS   8  18.278   3.817   4.892
   61    HB2  CYS   8           HB2      CYS   8  19.939   1.953   4.405
   62    HB3  CYS   8           HB1      CYS   8  21.189   3.188   4.547
   63    H    ARG   9           HN       ARG   9  18.105   5.796   5.540
   64    HA   ARG   9           HA       ARG   9  20.305   7.784   5.232
   65    HB2  ARG   9           HB2      ARG   9  17.353   7.847   4.703
   66    HB3  ARG   9           HB1      ARG   9  18.167   9.339   5.172
   67    HG2  ARG   9           HG2      ARG   9  18.333   9.365   2.834
   68    HG3  ARG   9           HG1      ARG   9  19.888   8.706   3.338
   69    HD2  ARG   9           HD2      ARG   9  18.117   6.495   3.120
   70    HD3  ARG   9           HD1      ARG   9  17.902   7.477   1.658
   71    HE   ARG   9           HE       ARG   9  20.589   6.570   2.631
   72   HH11  ARG   9          HH11      ARG   9  18.331   6.104   0.216
   73   HH12  ARG   9          HH12      ARG   9  19.414   6.387  -1.106
   74   HH21  ARG   9          HH21      ARG   9  22.003   7.512   0.908
   75   HH22  ARG   9          HH22      ARG   9  21.492   7.184  -0.714
   76    HA   PRO  10           HA       PRO  10  20.030   7.882   9.649
   77    HB2  PRO  10           HB2      PRO  10  20.832  10.501  10.059
   78    HB3  PRO  10           HB1      PRO  10  21.945   9.151   9.750
   79    HG2  PRO  10           HG2      PRO  10  20.798  11.124   7.807
   80    HG3  PRO  10           HG1      PRO  10  22.480  10.588   7.996
   81    HD2  PRO  10           HD2      PRO  10  20.997   9.539   6.073
   82    HD3  PRO  10           HD1      PRO  10  22.039   8.471   7.047
   83    H    ARG  11           HN       ARG  11  18.226   9.875   7.500
   84    HA   ARG  11           HA       ARG  11  16.482  11.079   9.514
   85    HB2  ARG  11           HB2      ARG  11  16.508  10.874   6.514
   86    HB3  ARG  11           HB1      ARG  11  15.261  11.750   7.403
   87    HG2  ARG  11           HG2      ARG  11  16.880  13.272   8.328
   88    HG3  ARG  11           HG1      ARG  11  18.221  12.303   7.714
   89    HD2  ARG  11           HD2      ARG  11  17.909  14.202   6.218
   90    HD3  ARG  11           HD1      ARG  11  17.347  12.746   5.372
   91    HE   ARG  11           HE       ARG  11  15.088  13.603   6.702
   92   HH11  ARG  11          HH11      ARG  11  16.599  14.186   3.805
   93   HH12  ARG  11          HH12      ARG  11  15.823  15.700   3.481
   94   HH21  ARG  11          HH21      ARG  11  14.411  15.954   6.638
   95   HH22  ARG  11          HH22      ARG  11  14.584  16.701   5.085
   96    H    PHE  12           HN       PHE  12  16.603   8.293   7.502
   97    HA   PHE  12           HA       PHE  12  14.488   6.849   8.896
   98    HB2  PHE  12           HB2      PHE  12  13.024   6.814   6.835
   99    HB3  PHE  12           HB1      PHE  12  13.163   8.440   7.527
  100    HD1  PHE  12           HD1      PHE  12  14.486  10.127   6.508
  101    HD2  PHE  12           HD2      PHE  12  14.353   6.185   4.845
  102    HE1  PHE  12           HE1      PHE  12  15.604  10.972   4.475
  103    HE2  PHE  12           HE2      PHE  12  15.455   7.014   2.791
  104    HZ   PHE  12           HZ       PHE  12  16.085   9.414   2.589
  105    H    CYS  13           HN       CYS  13  14.449   4.573   7.856
  106    HA   CYS  13           HA       CYS  13  16.071   4.195   5.515
  107    HB2  CYS  13           HB2      CYS  13  17.959   4.632   6.765
  108    HB3  CYS  13           HB1      CYS  13  17.229   4.077   8.263
  109    H    VAL  14           HN       VAL  14  15.447   2.249   4.649
  110    HA   VAL  14           HA       VAL  14  14.808  -0.082   6.295
  111    HB   VAL  14           HB       VAL  14  12.809   1.841   5.276
  112   HG11  VAL  14          HG11      VAL  14  12.228   0.110   3.737
  113   HG12  VAL  14          HG12      VAL  14  11.103  -0.058   5.085
  114   HG13  VAL  14          HG13      VAL  14  12.484  -1.147   4.948
  115   HG21  VAL  14          HG21      VAL  14  12.712   1.680   7.566
  116   HG22  VAL  14          HG22      VAL  14  13.231  -0.006   7.572
  117   HG23  VAL  14          HG23      VAL  14  11.565   0.402   7.162
  118    H    CYS  15           HN       CYS  15  14.415  -1.960   4.978
  119    HA   CYS  15           HA       CYS  15  15.044  -1.637   2.065
  120    HB2  CYS  15           HB2      CYS  15  16.540  -2.892   4.212
  121    HB3  CYS  15           HB1      CYS  15  16.136  -4.074   2.968
  122    H    VAL  16           HN       VAL  16  13.467  -2.561   0.876
  123    HA   VAL  16           HA       VAL  16  12.252  -5.136   1.639
  124    HB   VAL  16           HB       VAL  16  10.688  -2.548   1.319
  125   HG11  VAL  16          HG11      VAL  16   8.701  -3.798   1.457
  126   HG12  VAL  16          HG12      VAL  16   9.529  -5.217   2.097
  127   HG13  VAL  16          HG13      VAL  16   9.708  -4.784   0.398
  128   HG21  VAL  16          HG21      VAL  16  11.585  -2.602   3.526
  129   HG22  VAL  16          HG22      VAL  16  11.299  -4.335   3.681
  130   HG23  VAL  16          HG23      VAL  16   9.939  -3.213   3.687
  131    H    GLY  17           HN       GLY  17  12.206  -6.297  -0.174
  132    HA2  GLY  17           HA2      GLY  17  11.184  -5.213  -2.639
  133    HA3  GLY  17           HA1      GLY  17  12.935  -5.437  -2.696
  134    H    ARG  18           HN       ARG  18   9.916  -6.975  -2.939
  135    HA   ARG  18           HA       ARG  18  11.242  -9.429  -3.638
  136    HB2  ARG  18           HB2      ARG  18  10.750 -10.710  -1.734
  137    HB3  ARG  18           HB1      ARG  18  11.175  -9.137  -1.053
  138    HG2  ARG  18           HG2      ARG  18   8.372 -10.180  -1.551
  139    HG3  ARG  18           HG1      ARG  18   9.147  -9.957   0.015
  140    HD2  ARG  18           HD2      ARG  18   8.420  -7.771  -1.966
  141    HD3  ARG  18           HD1      ARG  18   7.705  -8.042  -0.365
  142    HE   ARG  18           HE       ARG  18  10.162  -6.659  -0.823
  143   HH11  ARG  18          HH11      ARG  18   8.275  -7.212   1.679
  144   HH12  ARG  18          HH12      ARG  18   9.483  -7.714   2.815
  145   HH21  ARG  18          HH21      ARG  18  11.950  -8.130   0.416
  146   HH22  ARG  18          HH22      ARG  18  11.560  -8.234   2.100
  Start of MODEL    3
    1    H1   ARG   1           HT1      ARG   1  13.734  -7.385 -11.735
    2    H2   ARG   1           HT2      ARG   1  14.942  -7.483 -10.543
    3    H3   ARG   1           HT3      ARG   1  14.104  -6.026 -10.790
    4    HA   ARG   1           HA       ARG   1  12.821  -8.543  -9.854
    5    HB2  ARG   1           HB2      ARG   1  14.685  -7.015  -8.534
    6    HB3  ARG   1           HB1      ARG   1  13.185  -6.222  -8.058
    7    HG2  ARG   1           HG2      ARG   1  13.606  -7.952  -6.440
    8    HG3  ARG   1           HG1      ARG   1  12.276  -8.508  -7.456
    9    HD2  ARG   1           HD2      ARG   1  13.910 -10.328  -7.150
   10    HD3  ARG   1           HD1      ARG   1  13.932  -9.793  -8.841
   11    HE   ARG   1           HE       ARG   1  15.795  -8.286  -7.190
   12   HH11  ARG   1          HH11      ARG   1  17.372  -8.293  -9.161
   13   HH12  ARG   1          HH12      ARG   1  18.127  -9.835  -9.390
   14   HH21  ARG   1          HH21      ARG   1  15.861 -11.539  -7.395
   15   HH22  ARG   1          HH22      ARG   1  17.271 -11.672  -8.392
   16    H    GLY   2           HN       GLY   2  10.606  -8.181  -9.246
   17    HA2  GLY   2           HA2      GLY   2   9.200  -6.228 -10.838
   18    HA3  GLY   2           HA1      GLY   2   8.472  -7.254  -9.600
   19    H    GLY   3           HN       GLY   3  10.202  -6.377  -7.455
   20    HA2  GLY   3           HA2      GLY   3   9.822  -3.468  -7.211
   21    HA3  GLY   3           HA1      GLY   3   8.854  -4.453  -6.112
   22    H    ARG   4           HN       ARG   4  11.603  -2.761  -6.267
   23    HA   ARG   4           HA       ARG   4  12.662  -4.335  -4.069
   24    HB2  ARG   4           HB2      ARG   4  14.992  -4.002  -4.999
   25    HB3  ARG   4           HB1      ARG   4  13.984  -5.152  -5.869
   26    HG2  ARG   4           HG2      ARG   4  14.184  -2.252  -6.686
   27    HG3  ARG   4           HG1      ARG   4  15.298  -3.475  -7.289
   28    HD2  ARG   4           HD2      ARG   4  13.774  -4.078  -8.837
   29    HD3  ARG   4           HD1      ARG   4  12.629  -4.493  -7.547
   30    HE   ARG   4           HE       ARG   4  12.293  -1.881  -7.486
   31   HH11  ARG   4          HH11      ARG   4  11.053  -3.910  -9.639
   32   HH12  ARG   4          HH12      ARG   4  11.035  -2.847 -11.006
   33   HH21  ARG   4          HH21      ARG   4  13.067  -0.465  -9.515
   34   HH22  ARG   4          HH22      ARG   4  12.175  -0.897 -10.936
   35    H    LEU   5           HN       LEU   5  12.406  -2.877  -2.506
   36    HA   LEU   5           HA       LEU   5  13.333  -0.107  -3.038
   37    HB2  LEU   5           HB2      LEU   5  11.402  -1.195  -0.955
   38    HB3  LEU   5           HB1      LEU   5  11.767   0.506  -1.219
   39    HG   LEU   5           HG       LEU   5   9.737   0.164  -2.376
   40   HD11  LEU   5          HD11      LEU   5  11.860   1.035  -3.741
   41   HD12  LEU   5          HD12      LEU   5  10.286   0.837  -4.510
   42   HD13  LEU   5          HD13      LEU   5  11.521  -0.407  -4.699
   43   HD21  LEU   5          HD21      LEU   5  10.658  -2.139  -4.010
   44   HD22  LEU   5          HD22      LEU   5   9.060  -1.796  -3.347
   45   HD23  LEU   5          HD23      LEU   5  10.318  -2.472  -2.312
   46    H    CYS   6           HN       CYS   6  15.316   0.118  -2.254
   47    HA   CYS   6           HA       CYS   6  15.930  -0.765   0.520
   48    HB2  CYS   6           HB2      CYS   6  16.847  -2.006  -1.944
   49    HB3  CYS   6           HB1      CYS   6  18.216  -1.386  -1.022
   50    H    TYR   7           HN       TYR   7  16.721   0.923   1.522
   51    HA   TYR   7           HA       TYR   7  18.861   2.564   0.450
   52    HB2  TYR   7           HB2      TYR   7  17.098   4.578   0.840
   53    HB3  TYR   7           HB1      TYR   7  17.277   3.800  -0.726
   54    HD1  TYR   7           HD1      TYR   7  15.573   2.874  -1.710
   55    HD2  TYR   7           HD2      TYR   7  15.570   3.448   2.507
   56    HE1  TYR   7           HE1      TYR   7  13.265   2.060  -1.650
   57    HE2  TYR   7           HE2      TYR   7  13.253   2.645   2.631
   58    HH   TYR   7           HH       TYR   7  11.776   0.947   0.931
   59    H    CYS   8           HN       CYS   8  19.469   4.075   2.040
   60    HA   CYS   8           HA       CYS   8  18.268   3.819   4.733
   61    HB2  CYS   8           HB2      CYS   8  19.972   2.024   4.145
   62    HB3  CYS   8           HB1      CYS   8  21.178   3.308   4.220
   63    H    ARG   9           HN       ARG   9  18.063   5.785   5.416
   64    HA   ARG   9           HA       ARG   9  20.142   7.872   4.944
   65    HB2  ARG   9           HB2      ARG   9  17.151   7.804   4.726
   66    HB3  ARG   9           HB1      ARG   9  17.945   9.326   5.126
   67    HG2  ARG   9           HG2      ARG   9  17.849   9.373   2.782
   68    HG3  ARG   9           HG1      ARG   9  19.483   8.802   3.111
   69    HD2  ARG   9           HD2      ARG   9  17.829   6.493   3.056
   70    HD3  ARG   9           HD1      ARG   9  17.403   7.469   1.637
   71    HE   ARG   9           HE       ARG   9  20.213   6.675   2.307
   72   HH11  ARG   9          HH11      ARG   9  19.415   5.012   0.202
   73   HH12  ARG   9          HH12      ARG   9  19.632   5.937  -1.246
   74   HH21  ARG   9          HH21      ARG   9  19.759   8.985   0.402
   75   HH22  ARG   9          HH22      ARG   9  19.827   8.186  -1.133
   76    HA   PRO  10           HA       PRO  10  20.294   7.912   9.372
   77    HB2  PRO  10           HB2      PRO  10  21.063  10.548   9.730
   78    HB3  PRO  10           HB1      PRO  10  22.178   9.231   9.303
   79    HG2  PRO  10           HG2      PRO  10  20.803  11.192   7.500
   80    HG3  PRO  10           HG1      PRO  10  22.507  10.693   7.522
   81    HD2  PRO  10           HD2      PRO  10  20.863   9.631   5.738
   82    HD3  PRO  10           HD1      PRO  10  22.027   8.582   6.586
   83    H    ARG  11           HN       ARG  11  18.227   9.832   7.417
   84    HA   ARG  11           HA       ARG  11  16.653  10.971   9.607
   85    HB2  ARG  11           HB2      ARG  11  16.323  10.836   6.618
   86    HB3  ARG  11           HB1      ARG  11  15.280  11.773   7.687
   87    HG2  ARG  11           HG2      ARG  11  18.270  12.145   7.327
   88    HG3  ARG  11           HG1      ARG  11  17.013  13.214   6.708
   89    HD2  ARG  11           HD2      ARG  11  17.566  12.642   9.645
   90    HD3  ARG  11           HD1      ARG  11  17.918  14.153   8.787
   91    HE   ARG  11           HE       ARG  11  15.149  13.078   9.166
   92   HH11  ARG  11          HH11      ARG  11  14.453  14.953  10.654
   93   HH12  ARG  11          HH12      ARG  11  14.581  16.504   9.893
   94   HH21  ARG  11          HH21      ARG  11  16.601  15.366   7.314
   95   HH22  ARG  11          HH22      ARG  11  15.798  16.737   8.002
   96    H    PHE  12           HN       PHE  12  16.675   8.232   7.544
   97    HA   PHE  12           HA       PHE  12  14.702   6.724   9.066
   98    HB2  PHE  12           HB2      PHE  12  13.081   6.680   7.127
   99    HB3  PHE  12           HB1      PHE  12  13.239   8.302   7.825
  100    HD1  PHE  12           HD1      PHE  12  14.260   6.102   5.031
  101    HD2  PHE  12           HD2      PHE  12  14.441  10.026   6.730
  102    HE1  PHE  12           HE1      PHE  12  15.189   6.978   2.911
  103    HE2  PHE  12           HE2      PHE  12  15.359  10.923   4.621
  104    HZ   PHE  12           HZ       PHE  12  15.733   9.396   2.687
  105    H    CYS  13           HN       CYS  13  14.637   4.461   7.993
  106    HA   CYS  13           HA       CYS  13  16.109   4.162   5.539
  107    HB2  CYS  13           HB2      CYS  13  18.054   4.631   6.690
  108    HB3  CYS  13           HB1      CYS  13  17.434   4.010   8.212
  109    H    VAL  14           HN       VAL  14  15.489   2.211   4.680
  110    HA   VAL  14           HA       VAL  14  14.988  -0.152   6.329
  111    HB   VAL  14           HB       VAL  14  12.901   1.743   5.448
  112   HG11  VAL  14          HG11      VAL  14  12.565  -1.252   5.160
  113   HG12  VAL  14          HG12      VAL  14  12.329  -0.027   3.912
  114   HG13  VAL  14          HG13      VAL  14  11.210  -0.129   5.272
  115   HG21  VAL  14          HG21      VAL  14  13.498  -0.106   7.696
  116   HG22  VAL  14          HG22      VAL  14  11.797   0.237   7.380
  117   HG23  VAL  14          HG23      VAL  14  12.914   1.557   7.733
  118    H    CYS  15           HN       CYS  15  14.557  -2.021   5.017
  119    HA   CYS  15           HA       CYS  15  15.022  -1.657   2.077
  120    HB2  CYS  15           HB2      CYS  15  16.648  -2.916   4.125
  121    HB3  CYS  15           HB1      CYS  15  16.190  -4.091   2.894
  122    H    VAL  16           HN       VAL  16  13.409  -2.602   0.953
  123    HA   VAL  16           HA       VAL  16  12.260  -5.190   1.756
  124    HB   VAL  16           HB       VAL  16  10.677  -2.602   1.580
  125   HG11  VAL  16          HG11      VAL  16   8.773  -4.201   2.285
  126   HG12  VAL  16          HG12      VAL  16   9.826  -5.497   1.718
  127   HG13  VAL  16          HG13      VAL  16   9.283  -4.248   0.597
  128   HG21  VAL  16          HG21      VAL  16  11.389  -4.488   3.832
  129   HG22  VAL  16          HG22      VAL  16  10.008  -3.395   3.943
  130   HG23  VAL  16          HG23      VAL  16  11.635  -2.743   3.749
  131    H    GLY  17           HN       GLY  17  12.040  -6.337  -0.043
  132    HA2  GLY  17           HA2      GLY  17  10.963  -5.194  -2.465
  133    HA3  GLY  17           HA1      GLY  17  12.693  -5.526  -2.591
  134    H    ARG  18           HN       ARG  18   9.588  -6.874  -2.720
  135    HA   ARG  18           HA       ARG  18  10.715  -9.406  -3.469
  136    HB2  ARG  18           HB2      ARG  18  10.193 -10.655  -1.531
  137    HB3  ARG  18           HB1      ARG  18  10.848  -9.143  -0.899
  138    HG2  ARG  18           HG2      ARG  18   7.901  -9.793  -1.212
  139    HG3  ARG  18           HG1      ARG  18   8.800  -9.822   0.302
  140    HD2  ARG  18           HD2      ARG  18   8.021  -7.665   0.461
  141    HD3  ARG  18           HD1      ARG  18   9.415  -7.317  -0.580
  142    HE   ARG  18           HE       ARG  18   7.900  -6.943  -2.350
  143   HH11  ARG  18          HH11      ARG  18   6.088  -7.607   0.370
  144   HH12  ARG  18          HH12      ARG  18   4.703  -8.214  -0.473
  145   HH21  ARG  18          HH21      ARG  18   6.269  -8.264  -3.565
  146   HH22  ARG  18          HH22      ARG  18   4.805  -8.586  -2.697
  Start of MODEL    4
    1    H1   ARG   1           HT1      ARG   1  14.387  -8.513  -9.604
    2    H2   ARG   1           HT2      ARG   1  14.120  -6.850  -9.386
    3    H3   ARG   1           HT3      ARG   1  13.940  -7.547 -10.925
    4    HA   ARG   1           HA       ARG   1  12.050  -8.861 -10.124
    5    HB2  ARG   1           HB2      ARG   1  13.300  -8.395  -7.724
    6    HB3  ARG   1           HB1      ARG   1  11.936  -7.283  -7.628
    7    HG2  ARG   1           HG2      ARG   1  10.350  -9.024  -7.879
    8    HG3  ARG   1           HG1      ARG   1  11.564 -10.155  -8.476
    9    HD2  ARG   1           HD2      ARG   1  11.921  -9.003  -5.726
   10    HD3  ARG   1           HD1      ARG   1  10.751 -10.318  -5.962
   11    HE   ARG   1           HE       ARG   1  13.609 -10.531  -6.842
   12   HH11  ARG   1          HH11      ARG   1  12.796 -11.643  -4.148
   13   HH12  ARG   1          HH12      ARG   1  12.489 -13.303  -4.536
   14   HH21  ARG   1          HH21      ARG   1  12.301 -12.745  -7.955
   15   HH22  ARG   1          HH22      ARG   1  12.207 -13.926  -6.692
   16    H    GLY   2           HN       GLY   2  10.034  -7.321  -8.830
   17    HA2  GLY   2           HA2      GLY   2   9.831  -5.031 -10.733
   18    HA3  GLY   2           HA1      GLY   2   8.452  -5.874 -10.027
   19    H    GLY   3           HN       GLY   3   9.920  -5.885  -7.358
   20    HA2  GLY   3           HA2      GLY   3   9.637  -2.990  -6.678
   21    HA3  GLY   3           HA1      GLY   3   8.840  -4.223  -5.700
   22    H    ARG   4           HN       ARG   4  11.691  -2.461  -6.172
   23    HA   ARG   4           HA       ARG   4  12.967  -4.187  -4.136
   24    HB2  ARG   4           HB2      ARG   4  14.318  -2.692  -6.406
   25    HB3  ARG   4           HB1      ARG   4  15.122  -3.714  -5.223
   26    HG2  ARG   4           HG2      ARG   4  14.900  -5.157  -7.053
   27    HG3  ARG   4           HG1      ARG   4  13.510  -5.577  -6.057
   28    HD2  ARG   4           HD2      ARG   4  13.284  -5.067  -8.698
   29    HD3  ARG   4           HD1      ARG   4  11.994  -4.665  -7.559
   30    HE   ARG   4           HE       ARG   4  12.789  -2.346  -7.556
   31   HH11  ARG   4          HH11      ARG   4  12.369  -1.720 -10.064
   32   HH12  ARG   4          HH12      ARG   4  13.873  -1.680 -10.922
   33   HH21  ARG   4          HH21      ARG   4  15.592  -3.504  -8.525
   34   HH22  ARG   4          HH22      ARG   4  15.698  -2.690 -10.051
   35    H    LEU   5           HN       LEU   5  12.623  -2.881  -2.379
   36    HA   LEU   5           HA       LEU   5  13.367  -0.004  -2.631
   37    HB2  LEU   5           HB2      LEU   5  11.464  -1.421  -0.729
   38    HB3  LEU   5           HB1      LEU   5  11.743   0.316  -0.790
   39    HG   LEU   5           HG       LEU   5   9.751  -0.025  -2.035
   40   HD11  LEU   5          HD11      LEU   5  10.314   0.993  -4.018
   41   HD12  LEU   5          HD12      LEU   5  11.620  -0.145  -4.351
   42   HD13  LEU   5          HD13      LEU   5  11.861   1.157  -3.186
   43   HD21  LEU   5          HD21      LEU   5  10.758  -1.933  -4.027
   44   HD22  LEU   5          HD22      LEU   5   9.231  -1.930  -3.147
   45   HD23  LEU   5          HD23      LEU   5  10.677  -2.605  -2.399
   46    H    CYS   6           HN       CYS   6  15.379   0.144  -1.866
   47    HA   CYS   6           HA       CYS   6  15.935  -0.687   0.902
   48    HB2  CYS   6           HB2      CYS   6  16.386  -2.716  -0.438
   49    HB3  CYS   6           HB1      CYS   6  17.479  -1.794  -1.469
   50    H    TYR   7           HN       TYR   7  16.880   0.949   1.779
   51    HA   TYR   7           HA       TYR   7  19.201   2.292   0.683
   52    HB2  TYR   7           HB2      TYR   7  17.681   4.498   0.826
   53    HB3  TYR   7           HB1      TYR   7  17.729   3.546  -0.653
   54    HD1  TYR   7           HD1      TYR   7  15.921   2.691  -1.505
   55    HD2  TYR   7           HD2      TYR   7  16.041   3.795   2.603
   56    HE1  TYR   7           HE1      TYR   7  13.537   2.165  -1.346
   57    HE2  TYR   7           HE2      TYR   7  13.650   3.290   2.824
   58    HH   TYR   7           HH       TYR   7  11.558   3.054   0.371
   59    H    CYS   8           HN       CYS   8  19.880   3.865   2.218
   60    HA   CYS   8           HA       CYS   8  18.547   3.791   4.871
   61    HB2  CYS   8           HB2      CYS   8  20.347   2.017   4.370
   62    HB3  CYS   8           HB1      CYS   8  21.486   3.352   4.539
   63    H    ARG   9           HN       ARG   9  18.302   5.784   5.452
   64    HA   ARG   9           HA       ARG   9  20.447   7.820   5.106
   65    HB2  ARG   9           HB2      ARG   9  17.621   8.707   4.817
   66    HB3  ARG   9           HB1      ARG   9  19.049   9.252   3.949
   67    HG2  ARG   9           HG2      ARG   9  17.691   6.581   3.458
   68    HG3  ARG   9           HG1      ARG   9  17.359   8.031   2.527
   69    HD2  ARG   9           HD2      ARG   9  19.529   6.139   2.203
   70    HD3  ARG   9           HD1      ARG   9  19.083   7.501   1.168
   71    HE   ARG   9           HE       ARG   9  21.031   7.606   3.405
   72   HH11  ARG   9          HH11      ARG   9  20.663   8.492   0.282
   73   HH12  ARG   9          HH12      ARG   9  21.044  10.170   0.480
   74   HH21  ARG   9          HH21      ARG   9  20.915  10.063   3.943
   75   HH22  ARG   9          HH22      ARG   9  21.187  11.059   2.554
   76    HA   PRO  10           HA       PRO  10  19.754   8.238   9.430
   77    HB2  PRO  10           HB2      PRO  10  20.267  10.950   9.712
   78    HB3  PRO  10           HB1      PRO  10  21.520   9.693   9.610
   79    HG2  PRO  10           HG2      PRO  10  20.378  11.389   7.412
   80    HG3  PRO  10           HG1      PRO  10  22.081  11.059   7.800
   81    HD2  PRO  10           HD2      PRO  10  20.949   9.699   5.851
   82    HD3  PRO  10           HD1      PRO  10  21.934   8.815   7.045
   83    H    ARG  11           HN       ARG  11  17.967   9.973   7.035
   84    HA   ARG  11           HA       ARG  11  15.970  11.155   8.776
   85    HB2  ARG  11           HB2      ARG  11  16.038  10.421   5.849
   86    HB3  ARG  11           HB1      ARG  11  14.795  11.427   6.595
   87    HG2  ARG  11           HG2      ARG  11  17.746  12.086   6.734
   88    HG3  ARG  11           HG1      ARG  11  16.689  12.693   5.459
   89    HD2  ARG  11           HD2      ARG  11  15.799  13.044   8.300
   90    HD3  ARG  11           HD1      ARG  11  17.064  14.118   7.669
   91    HE   ARG  11           HE       ARG  11  14.329  13.839   6.502
   92   HH11  ARG  11          HH11      ARG  11  14.061  16.357   6.993
   93   HH12  ARG  11          HH12      ARG  11  15.067  17.300   5.944
   94   HH21  ARG  11          HH21      ARG  11  17.076  14.626   5.030
   95   HH22  ARG  11          HH22      ARG  11  16.774  16.320   4.832
   96    H    PHE  12           HN       PHE  12  16.409   8.170   7.065
   97    HA   PHE  12           HA       PHE  12  14.553   6.626   8.696
   98    HB2  PHE  12           HB2      PHE  12  12.988   6.243   6.752
   99    HB3  PHE  12           HB1      PHE  12  12.974   7.930   7.298
  100    HD1  PHE  12           HD1      PHE  12  13.952   9.658   6.035
  101    HD2  PHE  12           HD2      PHE  12  14.340   5.589   4.759
  102    HE1  PHE  12           HE1      PHE  12  14.827  10.446   3.864
  103    HE2  PHE  12           HE2      PHE  12  15.205   6.360   2.571
  104    HZ   PHE  12           HZ       PHE  12  15.450   8.792   2.108
  105    H    CYS  13           HN       CYS  13  14.643   4.287   7.792
  106    HA   CYS  13           HA       CYS  13  16.258   3.904   5.427
  107    HB2  CYS  13           HB2      CYS  13  18.094   4.536   6.672
  108    HB3  CYS  13           HB1      CYS  13  17.416   3.940   8.179
  109    H    VAL  14           HN       VAL  14  15.547   1.980   4.617
  110    HA   VAL  14           HA       VAL  14  15.191  -0.404   6.281
  111    HB   VAL  14           HB       VAL  14  12.986   1.401   5.423
  112   HG11  VAL  14          HG11      VAL  14  12.445  -0.517   4.051
  113   HG12  VAL  14          HG12      VAL  14  11.380  -0.544   5.455
  114   HG13  VAL  14          HG13      VAL  14  12.775  -1.621   5.386
  115   HG21  VAL  14          HG21      VAL  14  13.779  -0.259   7.763
  116   HG22  VAL  14          HG22      VAL  14  12.052  -0.003   7.512
  117   HG23  VAL  14          HG23      VAL  14  13.128   1.380   7.715
  118    H    CYS  15           HN       CYS  15  14.763  -2.290   4.938
  119    HA   CYS  15           HA       CYS  15  14.998  -1.830   1.991
  120    HB2  CYS  15           HB2      CYS  15  16.705  -3.480   3.849
  121    HB3  CYS  15           HB1      CYS  15  16.618  -3.858   2.129
  122    H    VAL  16           HN       VAL  16  13.281  -2.804   1.068
  123    HA   VAL  16           HA       VAL  16  12.580  -5.591   1.697
  124    HB   VAL  16           HB       VAL  16  10.707  -3.236   2.121
  125   HG11  VAL  16          HG11      VAL  16  10.222  -6.191   1.848
  126   HG12  VAL  16          HG12      VAL  16   9.292  -4.846   1.185
  127   HG13  VAL  16          HG13      VAL  16   9.186  -5.230   2.904
  128   HG21  VAL  16          HG21      VAL  16  11.981  -5.278   3.947
  129   HG22  VAL  16          HG22      VAL  16  10.518  -4.410   4.415
  130   HG23  VAL  16          HG23      VAL  16  12.005  -3.520   4.087
  131    H    GLY  17           HN       GLY  17  12.290  -6.523  -0.228
  132    HA2  GLY  17           HA2      GLY  17  10.642  -5.304  -2.260
  133    HA3  GLY  17           HA1      GLY  17  12.355  -5.287  -2.687
  134    H    ARG  18           HN       ARG  18   9.540  -7.149  -2.623
  135    HA   ARG  18           HA       ARG  18  10.939  -9.325  -3.865
  136    HB2  ARG  18           HB2      ARG  18  10.892 -10.888  -2.082
  137    HB3  ARG  18           HB1      ARG  18  11.429  -9.379  -1.340
  138    HG2  ARG  18           HG2      ARG  18   8.568 -10.389  -1.339
  139    HG3  ARG  18           HG1      ARG  18   9.696 -10.549   0.006
  140    HD2  ARG  18           HD2      ARG  18   8.742  -8.563   0.656
  141    HD3  ARG  18           HD1      ARG  18   9.905  -7.877  -0.495
  142    HE   ARG  18           HE       ARG  18   7.468  -8.787  -1.795
  143   HH11  ARG  18          HH11      ARG  18   7.322  -6.864  -3.296
  144   HH12  ARG  18          HH12      ARG  18   7.009  -5.360  -2.496
  145   HH21  ARG  18          HH21      ARG  18   7.771  -6.573   0.660
  146   HH22  ARG  18          HH22      ARG  18   7.263  -5.195  -0.258
  Start of MODEL    5
    1    H1   ARG   1           HT1      ARG   1  11.553  -5.900 -12.735
    2    H2   ARG   1           HT2      ARG   1  13.128  -6.142 -12.148
    3    H3   ARG   1           HT3      ARG   1  12.051  -5.135 -11.305
    4    HA   ARG   1           HA       ARG   1  11.538  -8.032 -11.724
    5    HB2  ARG   1           HB2      ARG   1  13.667  -6.929 -10.368
    6    HB3  ARG   1           HB1      ARG   1  12.451  -7.044  -9.095
    7    HG2  ARG   1           HG2      ARG   1  12.221  -9.389  -9.371
    8    HG3  ARG   1           HG1      ARG   1  13.042  -9.367 -10.932
    9    HD2  ARG   1           HD2      ARG   1  14.857  -8.235  -9.054
   10    HD3  ARG   1           HD1      ARG   1  14.206  -9.716  -8.323
   11    HE   ARG   1           HE       ARG   1  14.935  -9.978 -11.156
   12   HH11  ARG   1          HH11      ARG   1  15.372 -12.435 -10.576
   13   HH12  ARG   1          HH12      ARG   1  16.853 -12.620  -9.699
   14   HH21  ARG   1          HH21      ARG   1  17.078  -9.267  -8.845
   15   HH22  ARG   1          HH22      ARG   1  17.819 -10.828  -8.719
   16    H    GLY   2           HN       GLY   2  10.606  -8.264  -9.037
   17    HA2  GLY   2           HA2      GLY   2   7.932  -7.178  -9.325
   18    HA3  GLY   2           HA1      GLY   2   8.534  -8.078  -7.931
   19    H    GLY   3           HN       GLY   3  10.847  -6.181  -7.667
   20    HA2  GLY   3           HA2      GLY   3  10.480  -3.539  -7.342
   21    HA3  GLY   3           HA1      GLY   3   9.403  -4.143  -6.084
   22    H    ARG   4           HN       ARG   4  12.322  -2.856  -6.426
   23    HA   ARG   4           HA       ARG   4  13.316  -4.430  -4.136
   24    HB2  ARG   4           HB2      ARG   4  14.929  -3.314  -6.447
   25    HB3  ARG   4           HB1      ARG   4  15.590  -4.181  -5.067
   26    HG2  ARG   4           HG2      ARG   4  15.431  -5.885  -6.655
   27    HG3  ARG   4           HG1      ARG   4  13.927  -6.073  -5.762
   28    HD2  ARG   4           HD2      ARG   4  14.009  -5.950  -8.465
   29    HD3  ARG   4           HD1      ARG   4  12.631  -5.346  -7.540
   30    HE   ARG   4           HE       ARG   4  13.503  -3.084  -7.797
   31   HH11  ARG   4          HH11      ARG   4  14.003  -4.951 -10.411
   32   HH12  ARG   4          HH12      ARG   4  15.422  -4.150 -10.996
   33   HH21  ARG   4          HH21      ARG   4  15.899  -2.304  -8.100
   34   HH22  ARG   4          HH22      ARG   4  16.496  -2.651  -9.689
   35    H    LEU   5           HN       LEU   5  12.885  -2.913  -2.585
   36    HA   LEU   5           HA       LEU   5  13.877  -0.140  -3.052
   37    HB2  LEU   5           HB2      LEU   5  11.660  -1.186  -1.252
   38    HB3  LEU   5           HB1      LEU   5  12.083   0.507  -1.480
   39    HG   LEU   5           HG       LEU   5  10.227   0.156  -2.911
   40   HD11  LEU   5          HD11      LEU   5  11.091   0.890  -4.901
   41   HD12  LEU   5          HD12      LEU   5  12.281  -0.408  -4.982
   42   HD13  LEU   5          HD13      LEU   5  12.569   0.990  -3.947
   43   HD21  LEU   5          HD21      LEU   5   9.658  -1.840  -3.812
   44   HD22  LEU   5          HD22      LEU   5  10.973  -2.512  -2.852
   45   HD23  LEU   5          HD23      LEU   5  11.254  -2.058  -4.531
   46    H    CYS   6           HN       CYS   6  15.772  -0.004  -2.045
   47    HA   CYS   6           HA       CYS   6  15.949  -0.681   0.825
   48    HB2  CYS   6           HB2      CYS   6  16.527  -2.759  -0.404
   49    HB3  CYS   6           HB1      CYS   6  17.786  -1.880  -1.271
   50    H    TYR   7           HN       TYR   7  16.863   0.934   1.779
   51    HA   TYR   7           HA       TYR   7  19.297   2.223   0.876
   52    HB2  TYR   7           HB2      TYR   7  17.769   4.453   0.908
   53    HB3  TYR   7           HB1      TYR   7  18.012   3.534  -0.571
   54    HD1  TYR   7           HD1      TYR   7  15.938   3.655   2.461
   55    HD2  TYR   7           HD2      TYR   7  16.318   2.747  -1.679
   56    HE1  TYR   7           HE1      TYR   7  13.535   3.150   2.368
   57    HE2  TYR   7           HE2      TYR   7  13.928   2.236  -1.837
   58    HH   TYR   7           HH       TYR   7  11.697   3.171   0.387
   59    H    CYS   8           HN       CYS   8  19.874   3.795   2.458
   60    HA   CYS   8           HA       CYS   8  18.322   3.770   4.987
   61    HB2  CYS   8           HB2      CYS   8  19.994   1.872   4.676
   62    HB3  CYS   8           HB1      CYS   8  21.241   3.105   4.865
   63    H    ARG   9           HN       ARG   9  18.139   5.766   5.560
   64    HA   ARG   9           HA       ARG   9  20.364   7.733   5.276
   65    HB2  ARG   9           HB2      ARG   9  17.429   7.785   4.660
   66    HB3  ARG   9           HB1      ARG   9  18.232   9.288   5.111
   67    HG2  ARG   9           HG2      ARG   9  18.453   9.243   2.775
   68    HG3  ARG   9           HG1      ARG   9  20.000   8.619   3.344
   69    HD2  ARG   9           HD2      ARG   9  18.261   6.380   3.147
   70    HD3  ARG   9           HD1      ARG   9  18.078   7.313   1.648
   71    HE   ARG   9           HE       ARG   9  20.719   6.394   2.721
   72   HH11  ARG   9          HH11      ARG   9  22.232   7.438   1.133
   73   HH12  ARG   9          HH12      ARG   9  21.812   7.197  -0.530
   74   HH21  ARG   9          HH21      ARG   9  18.606   6.077   0.164
   75   HH22  ARG   9          HH22      ARG   9  19.761   6.425  -1.079
   76    HA   PRO  10           HA       PRO  10  19.929   7.955   9.682
   77    HB2  PRO  10           HB2      PRO  10  20.790  10.562  10.048
   78    HB3  PRO  10           HB1      PRO  10  21.876   9.174   9.818
   79    HG2  PRO  10           HG2      PRO  10  20.859  11.124   7.782
   80    HG3  PRO  10           HG1      PRO  10  22.515  10.543   8.047
   81    HD2  PRO  10           HD2      PRO  10  21.064   9.491   6.098
   82    HD3  PRO  10           HD1      PRO  10  22.049   8.422   7.127
   83    H    ARG  11           HN       ARG  11  18.229   9.855   7.398
   84    HA   ARG  11           HA       ARG  11  16.452  11.184   9.310
   85    HB2  ARG  11           HB2      ARG  11  16.495  10.910   6.312
   86    HB3  ARG  11           HB1      ARG  11  15.395  11.965   7.200
   87    HG2  ARG  11           HG2      ARG  11  18.419  12.128   7.337
   88    HG3  ARG  11           HG1      ARG  11  17.409  13.166   6.332
   89    HD2  ARG  11           HD2      ARG  11  16.524  13.054   9.142
   90    HD3  ARG  11           HD1      ARG  11  18.138  13.758   8.923
   91    HE   ARG  11           HE       ARG  11  15.629  14.791   7.724
   92   HH11  ARG  11          HH11      ARG  11  16.814  15.714   5.595
   93   HH12  ARG  11          HH12      ARG  11  17.965  16.934   6.028
   94   HH21  ARG  11          HH21      ARG  11  18.084  16.007   9.368
   95   HH22  ARG  11          HH22      ARG  11  18.684  17.100   8.166
   96    H    PHE  12           HN       PHE  12  16.598   8.346   7.388
   97    HA   PHE  12           HA       PHE  12  14.372   7.004   8.700
   98    HB2  PHE  12           HB2      PHE  12  13.014   6.938   6.571
   99    HB3  PHE  12           HB1      PHE  12  13.161   8.583   7.215
  100    HD1  PHE  12           HD1      PHE  12  14.425   6.210   4.672
  101    HD2  PHE  12           HD2      PHE  12  14.576  10.199   6.215
  102    HE1  PHE  12           HE1      PHE  12  15.661   6.943   2.658
  103    HE2  PHE  12           HE2      PHE  12  15.801  10.954   4.210
  104    HZ   PHE  12           HZ       PHE  12  16.348   9.322   2.406
  105    H    CYS  13           HN       CYS  13  14.327   4.698   7.723
  106    HA   CYS  13           HA       CYS  13  16.083   4.212   5.493
  107    HB2  CYS  13           HB2      CYS  13  17.882   4.655   6.875
  108    HB3  CYS  13           HB1      CYS  13  17.046   4.109   8.321
  109    H    VAL  14           HN       VAL  14  15.384   2.302   4.620
  110    HA   VAL  14           HA       VAL  14  14.636  -0.009   6.251
  111    HB   VAL  14           HB       VAL  14  12.713   1.951   5.124
  112   HG11  VAL  14          HG11      VAL  14  12.305  -1.043   4.984
  113   HG12  VAL  14          HG12      VAL  14  12.130   0.131   3.679
  114   HG13  VAL  14          HG13      VAL  14  10.961   0.100   5.000
  115   HG21  VAL  14          HG21      VAL  14  13.079   0.262   7.539
  116   HG22  VAL  14          HG22      VAL  14  11.416   0.617   7.072
  117   HG23  VAL  14          HG23      VAL  14  12.539   1.936   7.407
  118    H    CYS  15           HN       CYS  15  14.272  -1.883   4.914
  119    HA   CYS  15           HA       CYS  15  14.829  -1.539   1.997
  120    HB2  CYS  15           HB2      CYS  15  16.305  -3.132   4.081
  121    HB3  CYS  15           HB1      CYS  15  16.324  -3.656   2.396
  122    H    VAL  16           HN       VAL  16  13.157  -2.478   0.957
  123    HA   VAL  16           HA       VAL  16  12.274  -5.203   1.660
  124    HB   VAL  16           HB       VAL  16  10.441  -2.778   1.647
  125   HG11  VAL  16          HG11      VAL  16   9.682  -5.175   0.772
  126   HG12  VAL  16          HG12      VAL  16   8.623  -4.204   1.793
  127   HG13  VAL  16          HG13      VAL  16   9.571  -5.512   2.499
  128   HG21  VAL  16          HG21      VAL  16  11.477  -4.581   3.845
  129   HG22  VAL  16          HG22      VAL  16  10.026  -3.599   4.045
  130   HG23  VAL  16          HG23      VAL  16  11.581  -2.823   3.743
  131    H    GLY  17           HN       GLY  17  12.231  -6.242  -0.226
  132    HA2  GLY  17           HA2      GLY  17  10.819  -5.184  -2.495
  133    HA3  GLY  17           HA1      GLY  17  12.566  -5.122  -2.730
  134    H    ARG  18           HN       ARG  18   9.820  -7.098  -2.857
  135    HA   ARG  18           HA       ARG  18  11.439  -9.266  -3.828
  136    HB2  ARG  18           HB2      ARG  18  11.309 -10.723  -1.992
  137    HB3  ARG  18           HB1      ARG  18  11.560  -9.148  -1.235
  138    HG2  ARG  18           HG2      ARG  18   8.909 -10.581  -1.576
  139    HG3  ARG  18           HG1      ARG  18   9.780 -10.324  -0.065
  140    HD2  ARG  18           HD2      ARG  18   8.553  -8.176  -1.829
  141    HD3  ARG  18           HD1      ARG  18   8.035  -8.642  -0.199
  142    HE   ARG  18           HE       ARG  18  10.192  -6.859  -0.754
  143   HH11  ARG  18          HH11      ARG  18  12.296  -8.130   0.210
  144   HH12  ARG  18          HH12      ARG  18  12.092  -8.378   1.912
  145   HH21  ARG  18          HH21      ARG  18   8.673  -7.813   1.858
  146   HH22  ARG  18          HH22      ARG  18  10.044  -8.198   2.844
  Start of MODEL    6
    1    H1   ARG   1           HT1      ARG   1  13.674  -7.142  -8.831
    2    H2   ARG   1           HT2      ARG   1  13.712  -8.061 -10.259
    3    H3   ARG   1           HT3      ARG   1  14.108  -8.781  -8.772
    4    HA   ARG   1           HA       ARG   1  11.845  -9.380  -9.541
    5    HB2  ARG   1           HB2      ARG   1  12.743  -8.148  -7.025
    6    HB3  ARG   1           HB1      ARG   1  10.989  -8.163  -7.206
    7    HG2  ARG   1           HG2      ARG   1  12.668 -10.622  -7.721
    8    HG3  ARG   1           HG1      ARG   1  12.047 -10.235  -6.117
    9    HD2  ARG   1           HD2      ARG   1  10.213 -11.425  -6.814
   10    HD3  ARG   1           HD1      ARG   1   9.791  -9.923  -7.659
   11    HE   ARG   1           HE       ARG   1  11.640 -11.375  -9.276
   12   HH11  ARG   1          HH11      ARG   1   9.490 -13.338  -8.058
   13   HH12  ARG   1          HH12      ARG   1   8.407 -13.436  -9.408
   14   HH21  ARG   1          HH21      ARG   1   9.780 -10.706 -11.046
   15   HH22  ARG   1          HH22      ARG   1   8.572 -11.946 -11.098
   16    H    GLY   2           HN       GLY   2   9.578  -8.098  -8.618
   17    HA2  GLY   2           HA2      GLY   2   9.183  -6.054 -10.678
   18    HA3  GLY   2           HA1      GLY   2   7.944  -6.683  -9.592
   19    H    GLY   3           HN       GLY   3  10.207  -6.035  -7.432
   20    HA2  GLY   3           HA2      GLY   3  10.096  -3.110  -7.351
   21    HA3  GLY   3           HA1      GLY   3   9.099  -3.903  -6.132
   22    H    ARG   4           HN       ARG   4  12.026  -2.546  -6.597
   23    HA   ARG   4           HA       ARG   4  13.151  -4.231  -4.440
   24    HB2  ARG   4           HB2      ARG   4  14.681  -2.840  -6.663
   25    HB3  ARG   4           HB1      ARG   4  15.356  -3.913  -5.445
   26    HG2  ARG   4           HG2      ARG   4  15.138  -5.323  -7.308
   27    HG3  ARG   4           HG1      ARG   4  13.693  -5.678  -6.368
   28    HD2  ARG   4           HD2      ARG   4  13.578  -5.150  -9.004
   29    HD3  ARG   4           HD1      ARG   4  12.283  -4.654  -7.909
   30    HE   ARG   4           HE       ARG   4  13.260  -2.399  -7.866
   31   HH11  ARG   4          HH11      ARG   4  15.443  -1.435  -8.494
   32   HH12  ARG   4          HH12      ARG   4  15.841  -1.641 -10.167
   33   HH21  ARG   4          HH21      ARG   4  13.418  -4.059 -10.719
   34   HH22  ARG   4          HH22      ARG   4  14.694  -3.126 -11.427
   35    H    LEU   5           HN       LEU   5  12.802  -2.862  -2.738
   36    HA   LEU   5           HA       LEU   5  13.572  -0.003  -3.065
   37    HB2  LEU   5           HB2      LEU   5  11.638  -1.383  -1.166
   38    HB3  LEU   5           HB1      LEU   5  11.930   0.354  -1.234
   39    HG   LEU   5           HG       LEU   5   9.963   0.021  -2.522
   40   HD11  LEU   5          HD11      LEU   5  11.907  -0.146  -4.780
   41   HD12  LEU   5          HD12      LEU   5  12.085   1.187  -3.640
   42   HD13  LEU   5          HD13      LEU   5  10.575   0.980  -4.528
   43   HD21  LEU   5          HD21      LEU   5  10.856  -2.572  -2.824
   44   HD22  LEU   5          HD22      LEU   5  11.010  -1.929  -4.458
   45   HD23  LEU   5          HD23      LEU   5   9.450  -1.887  -3.638
   46    H    CYS   6           HN       CYS   6  15.556   0.205  -2.276
   47    HA   CYS   6           HA       CYS   6  16.123  -0.701   0.494
   48    HB2  CYS   6           HB2      CYS   6  17.091  -1.960  -1.927
   49    HB3  CYS   6           HB1      CYS   6  18.449  -1.291  -1.022
   50    H    TYR   7           HN       TYR   7  16.863   0.976   1.518
   51    HA   TYR   7           HA       TYR   7  19.009   2.663   0.540
   52    HB2  TYR   7           HB2      TYR   7  17.205   4.644   0.893
   53    HB3  TYR   7           HB1      TYR   7  17.432   3.882  -0.674
   54    HD1  TYR   7           HD1      TYR   7  15.643   3.487   2.511
   55    HD2  TYR   7           HD2      TYR   7  15.770   2.937  -1.707
   56    HE1  TYR   7           HE1      TYR   7  13.337   2.646   2.568
   57    HE2  TYR   7           HE2      TYR   7  13.470   2.098  -1.716
   58    HH   TYR   7           HH       TYR   7  11.389   2.424   0.994
   59    H    CYS   8           HN       CYS   8  19.545   4.147   2.183
   60    HA   CYS   8           HA       CYS   8  18.231   3.863   4.815
   61    HB2  CYS   8           HB2      CYS   8  19.955   2.055   4.266
   62    HB3  CYS   8           HB1      CYS   8  21.159   3.328   4.458
   63    H    ARG   9           HN       ARG   9  18.034   5.816   5.532
   64    HA   ARG   9           HA       ARG   9  20.161   7.877   5.165
   65    HB2  ARG   9           HB2      ARG   9  17.174   7.882   4.837
   66    HB3  ARG   9           HB1      ARG   9  18.012   9.383   5.226
   67    HG2  ARG   9           HG2      ARG   9  17.991   9.389   2.880
   68    HG3  ARG   9           HG1      ARG   9  19.587   8.744   3.264
   69    HD2  ARG   9           HD2      ARG   9  17.818   6.519   3.212
   70    HD3  ARG   9           HD1      ARG   9  17.480   7.485   1.761
   71    HE   ARG   9           HE       ARG   9  20.283   6.741   2.514
   72   HH11  ARG   9          HH11      ARG   9  18.439   8.203   0.160
   73   HH12  ARG   9          HH12      ARG   9  19.039   7.260  -1.163
   74   HH21  ARG   9          HH21      ARG   9  20.745   5.019   0.858
   75   HH22  ARG   9          HH22      ARG   9  20.344   5.458  -0.768
   76    HA   PRO  10           HA       PRO  10  20.115   7.883   9.588
   77    HB2  PRO  10           HB2      PRO  10  20.899  10.505  10.005
   78    HB3  PRO  10           HB1      PRO  10  22.014   9.180   9.610
   79    HG2  PRO  10           HG2      PRO  10  20.738  11.175   7.773
   80    HG3  PRO  10           HG1      PRO  10  22.434  10.656   7.858
   81    HD2  PRO  10           HD2      PRO  10  20.853   9.631   5.999
   82    HD3  PRO  10           HD1      PRO  10  21.969   8.560   6.883
   83    H    ARG  11           HN       ARG  11  18.114   9.811   7.575
   84    HA   ARG  11           HA       ARG  11  16.498  10.937   9.755
   85    HB2  ARG  11           HB2      ARG  11  16.667  11.096   6.793
   86    HB3  ARG  11           HB1      ARG  11  15.121  11.482   7.545
   87    HG2  ARG  11           HG2      ARG  11  16.420  13.528   7.325
   88    HG3  ARG  11           HG1      ARG  11  16.285  13.109   9.032
   89    HD2  ARG  11           HD2      ARG  11  18.602  13.742   8.545
   90    HD3  ARG  11           HD1      ARG  11  18.548  11.999   8.869
   91    HE   ARG  11           HE       ARG  11  18.489  11.667   6.376
   92   HH11  ARG  11          HH11      ARG  11  20.664  13.703   7.781
   93   HH12  ARG  11          HH12      ARG  11  21.042  14.617   6.359
   94   HH21  ARG  11          HH21      ARG  11  18.454  13.269   4.485
   95   HH22  ARG  11          HH22      ARG  11  19.792  14.371   4.493
   96    H    PHE  12           HN       PHE  12  16.567   8.248   7.633
   97    HA   PHE  12           HA       PHE  12  14.501   6.742   9.030
   98    HB2  PHE  12           HB2      PHE  12  12.976   6.761   7.015
   99    HB3  PHE  12           HB1      PHE  12  13.125   8.367   7.754
  100    HD1  PHE  12           HD1      PHE  12  14.244   6.209   4.962
  101    HD2  PHE  12           HD2      PHE  12  14.408  10.087   6.758
  102    HE1  PHE  12           HE1      PHE  12  15.291   7.116   2.912
  103    HE2  PHE  12           HE2      PHE  12  15.447  11.017   4.721
  104    HZ   PHE  12           HZ       PHE  12  15.889   9.529   2.771
  105    H    CYS  13           HN       CYS  13  14.445   4.506   7.924
  106    HA   CYS  13           HA       CYS  13  16.016   4.218   5.526
  107    HB2  CYS  13           HB2      CYS  13  17.903   4.622   6.797
  108    HB3  CYS  13           HB1      CYS  13  17.200   3.948   8.258
  109    H    VAL  14           HN       VAL  14  15.416   2.293   4.589
  110    HA   VAL  14           HA       VAL  14  14.723  -0.075   6.185
  111    HB   VAL  14           HB       VAL  14  12.790   1.878   5.363
  112   HG11  VAL  14          HG11      VAL  14  11.158   0.349   4.264
  113   HG12  VAL  14          HG12      VAL  14  12.431  -0.864   4.135
  114   HG13  VAL  14          HG13      VAL  14  12.576   0.662   3.264
  115   HG21  VAL  14          HG21      VAL  14  11.289   0.456   6.707
  116   HG22  VAL  14          HG22      VAL  14  12.839   0.687   7.518
  117   HG23  VAL  14          HG23      VAL  14  12.497  -0.829   6.685
  118    H    CYS  15           HN       CYS  15  14.442  -1.947   4.853
  119    HA   CYS  15           HA       CYS  15  15.169  -1.632   1.966
  120    HB2  CYS  15           HB2      CYS  15  16.755  -2.672   4.148
  121    HB3  CYS  15           HB1      CYS  15  16.444  -3.954   2.980
  122    H    VAL  16           HN       VAL  16  13.777  -2.788   0.726
  123    HA   VAL  16           HA       VAL  16  12.846  -5.442   1.423
  124    HB   VAL  16           HB       VAL  16  10.379  -4.242   1.106
  125   HG11  VAL  16          HG11      VAL  16  11.951  -5.443   3.280
  126   HG12  VAL  16          HG12      VAL  16  10.292  -5.762   2.775
  127   HG13  VAL  16          HG13      VAL  16  10.643  -4.400   3.837
  128   HG21  VAL  16          HG21      VAL  16  11.683  -2.021   1.454
  129   HG22  VAL  16          HG22      VAL  16  11.818  -2.531   3.136
  130   HG23  VAL  16          HG23      VAL  16  10.230  -2.281   2.417
  131    H    GLY  17           HN       GLY  17  12.272  -6.509  -0.340
  132    HA2  GLY  17           HA2      GLY  17  11.232  -5.231  -2.707
  133    HA3  GLY  17           HA1      GLY  17  12.928  -5.693  -2.894
  134    H    ARG  18           HN       ARG  18   9.721  -6.797  -2.956
  135    HA   ARG  18           HA       ARG  18  10.632  -9.396  -3.770
  136    HB2  ARG  18           HB2      ARG  18  10.035 -10.637  -1.841
  137    HB3  ARG  18           HB1      ARG  18  10.856  -9.208  -1.211
  138    HG2  ARG  18           HG2      ARG  18   7.847  -9.509  -1.460
  139    HG3  ARG  18           HG1      ARG  18   8.764  -9.746   0.027
  140    HD2  ARG  18           HD2      ARG  18   8.288  -7.519   0.333
  141    HD3  ARG  18           HD1      ARG  18   9.683  -7.291  -0.740
  142    HE   ARG  18           HE       ARG  18   7.232  -7.773  -2.222
  143   HH11  ARG  18          HH11      ARG  18   7.850  -6.068  -3.916
  144   HH12  ARG  18          HH12      ARG  18   7.766  -4.445  -3.316
  145   HH21  ARG  18          HH21      ARG  18   7.668  -5.399   0.016
  146   HH22  ARG  18          HH22      ARG  18   7.663  -4.067  -1.091
  Start of MODEL    7
    1    H1   ARG   1           HT1      ARG   1  11.058 -11.024 -10.395
    2    H2   ARG   1           HT2      ARG   1  12.661 -10.525 -10.658
    3    H3   ARG   1           HT3      ARG   1  11.391  -9.803 -11.524
    4    HA   ARG   1           HA       ARG   1  11.486  -9.655  -8.572
    5    HB2  ARG   1           HB2      ARG   1  12.827  -7.645  -8.793
    6    HB3  ARG   1           HB1      ARG   1  13.657  -8.948  -9.640
    7    HG2  ARG   1           HG2      ARG   1  12.255  -8.064 -11.708
    8    HG3  ARG   1           HG1      ARG   1  12.213  -6.574 -10.764
    9    HD2  ARG   1           HD2      ARG   1  14.171  -6.539 -12.240
   10    HD3  ARG   1           HD1      ARG   1  14.722  -6.708 -10.560
   11    HE   ARG   1           HE       ARG   1  14.333  -9.325 -11.415
   12   HH11  ARG   1          HH11      ARG   1  16.817  -7.177 -11.206
   13   HH12  ARG   1          HH12      ARG   1  17.783  -7.851 -12.476
   14   HH21  ARG   1          HH21      ARG   1  15.280  -9.957 -13.624
   15   HH22  ARG   1          HH22      ARG   1  16.912  -9.424 -13.844
   16    H    GLY   2           HN       GLY   2  11.119  -6.690  -9.103
   17    HA2  GLY   2           HA2      GLY   2   9.048  -5.909 -10.707
   18    HA3  GLY   2           HA1      GLY   2   8.205  -6.778  -9.424
   19    H    GLY   3           HN       GLY   3  10.227  -5.979  -7.398
   20    HA2  GLY   3           HA2      GLY   3  10.076  -3.046  -7.278
   21    HA3  GLY   3           HA1      GLY   3   9.084  -3.888  -6.087
   22    H    ARG   4           HN       ARG   4  12.015  -2.483  -6.530
   23    HA   ARG   4           HA       ARG   4  13.110  -4.138  -4.339
   24    HB2  ARG   4           HB2      ARG   4  14.656  -2.864  -6.618
   25    HB3  ARG   4           HB1      ARG   4  15.331  -3.874  -5.346
   26    HG2  ARG   4           HG2      ARG   4  15.097  -5.391  -7.116
   27    HG3  ARG   4           HG1      ARG   4  13.639  -5.669  -6.168
   28    HD2  ARG   4           HD2      ARG   4  13.569  -5.279  -8.840
   29    HD3  ARG   4           HD1      ARG   4  12.256  -4.741  -7.785
   30    HE   ARG   4           HE       ARG   4  13.200  -2.480  -7.848
   31   HH11  ARG   4          HH11      ARG   4  15.550  -1.701  -8.352
   32   HH12  ARG   4          HH12      ARG   4  15.965  -1.909 -10.021
   33   HH21  ARG   4          HH21      ARG   4  13.362  -4.107 -10.667
   34   HH22  ARG   4          HH22      ARG   4  14.726  -3.271 -11.332
   35    H    LEU   5           HN       LEU   5  12.772  -2.715  -2.688
   36    HA   LEU   5           HA       LEU   5  13.642   0.108  -3.074
   37    HB2  LEU   5           HB2      LEU   5  11.634  -1.140  -1.162
   38    HB3  LEU   5           HB1      LEU   5  11.985   0.580  -1.291
   39    HG   LEU   5           HG       LEU   5  10.023   0.265  -2.591
   40   HD11  LEU   5          HD11      LEU   5  10.690   1.135  -4.618
   41   HD12  LEU   5          HD12      LEU   5  11.981  -0.050  -4.821
   42   HD13  LEU   5          HD13      LEU   5  12.200   1.314  -3.725
   43   HD21  LEU   5          HD21      LEU   5   9.458  -1.666  -3.637
   44   HD22  LEU   5          HD22      LEU   5  10.836  -2.366  -2.790
   45   HD23  LEU   5          HD23      LEU   5  11.021  -1.787  -4.444
   46    H    CYS   6           HN       CYS   6  15.612   0.273  -2.250
   47    HA   CYS   6           HA       CYS   6  16.130  -0.665   0.526
   48    HB2  CYS   6           HB2      CYS   6  17.131  -1.856  -1.936
   49    HB3  CYS   6           HB1      CYS   6  18.462  -1.279  -0.936
   50    H    TYR   7           HN       TYR   7  16.886   1.004   1.581
   51    HA   TYR   7           HA       TYR   7  19.079   2.645   0.623
   52    HB2  TYR   7           HB2      TYR   7  17.319   4.668   0.969
   53    HB3  TYR   7           HB1      TYR   7  17.550   3.909  -0.600
   54    HD1  TYR   7           HD1      TYR   7  15.715   3.527   2.560
   55    HD2  TYR   7           HD2      TYR   7  15.878   3.016  -1.661
   56    HE1  TYR   7           HE1      TYR   7  13.392   2.737   2.583
   57    HE2  TYR   7           HE2      TYR   7  13.561   2.227  -1.704
   58    HH   TYR   7           HH       TYR   7  11.893   1.296   1.120
   59    H    CYS   8           HN       CYS   8  19.631   4.128   2.262
   60    HA   CYS   8           HA       CYS   8  18.308   3.845   4.891
   61    HB2  CYS   8           HB2      CYS   8  20.028   2.045   4.361
   62    HB3  CYS   8           HB1      CYS   8  21.236   3.321   4.517
   63    H    ARG   9           HN       ARG   9  18.080   5.802   5.582
   64    HA   ARG   9           HA       ARG   9  20.204   7.872   5.262
   65    HB2  ARG   9           HB2      ARG   9  17.235   7.849   4.817
   66    HB3  ARG   9           HB1      ARG   9  18.028   9.359   5.260
   67    HG2  ARG   9           HG2      ARG   9  18.123   9.395   2.920
   68    HG3  ARG   9           HG1      ARG   9  19.705   8.761   3.370
   69    HD2  ARG   9           HD2      ARG   9  17.972   6.518   3.208
   70    HD3  ARG   9           HD1      ARG   9  17.677   7.500   1.759
   71    HE   ARG   9           HE       ARG   9  20.444   6.731   2.618
   72   HH11  ARG   9          HH11      ARG   9  20.722   4.976   0.846
   73   HH12  ARG   9          HH12      ARG   9  20.532   5.608  -0.755
   74   HH21  ARG   9          HH21      ARG   9  19.016   8.544   0.300
   75   HH22  ARG   9          HH22      ARG   9  19.568   7.629  -1.065
   76    HA   PRO  10           HA       PRO  10  20.015   7.909   9.683
   77    HB2  PRO  10           HB2      PRO  10  20.745  10.547  10.106
   78    HB3  PRO  10           HB1      PRO  10  21.893   9.235   9.759
   79    HG2  PRO  10           HG2      PRO  10  20.647  11.195   7.863
   80    HG3  PRO  10           HG1      PRO  10  22.348  10.705   8.011
   81    HD2  PRO  10           HD2      PRO  10  20.852   9.637   6.107
   82    HD3  PRO  10           HD1      PRO  10  21.950   8.592   7.041
   83    H    ARG  11           HN       ARG  11  18.113   9.863   7.587
   84    HA   ARG  11           HA       ARG  11  16.368  10.994   9.644
   85    HB2  ARG  11           HB2      ARG  11  16.349  10.830   6.640
   86    HB3  ARG  11           HB1      ARG  11  15.102  11.670   7.565
   87    HG2  ARG  11           HG2      ARG  11  16.745  13.183   8.510
   88    HG3  ARG  11           HG1      ARG  11  18.065  12.275   7.771
   89    HD2  ARG  11           HD2      ARG  11  17.756  14.075   6.269
   90    HD3  ARG  11           HD1      ARG  11  16.799  12.779   5.522
   91    HE   ARG  11           HE       ARG  11  15.099  14.067   7.371
   92   HH11  ARG  11          HH11      ARG  11  13.362  14.631   5.754
   93   HH12  ARG  11          HH12      ARG  11  13.785  15.910   4.665
   94   HH21  ARG  11          HH21      ARG  11  17.166  15.797   5.422
   95   HH22  ARG  11          HH22      ARG  11  15.937  16.571   4.477
   96    H    PHE  12           HN       PHE  12  16.539   8.239   7.590
   97    HA   PHE  12           HA       PHE  12  14.483   6.718   8.992
   98    HB2  PHE  12           HB2      PHE  12  12.991   6.671   6.951
   99    HB3  PHE  12           HB1      PHE  12  13.098   8.292   7.662
  100    HD1  PHE  12           HD1      PHE  12  14.362  10.024   6.649
  101    HD2  PHE  12           HD2      PHE  12  14.309   6.102   4.934
  102    HE1  PHE  12           HE1      PHE  12  15.430  10.926   4.613
  103    HE2  PHE  12           HE2      PHE  12  15.361   6.989   2.878
  104    HZ   PHE  12           HZ       PHE  12  15.926   9.406   2.701
  105    H    CYS  13           HN       CYS  13  14.491   4.458   7.917
  106    HA   CYS  13           HA       CYS  13  16.102   4.159   5.553
  107    HB2  CYS  13           HB2      CYS  13  17.981   4.627   6.811
  108    HB3  CYS  13           HB1      CYS  13  17.278   4.003   8.294
  109    H    VAL  14           HN       VAL  14  15.499   2.224   4.652
  110    HA   VAL  14           HA       VAL  14  14.937  -0.156   6.256
  111    HB   VAL  14           HB       VAL  14  12.879   1.743   5.305
  112   HG11  VAL  14          HG11      VAL  14  12.400  -0.053   3.747
  113   HG12  VAL  14          HG12      VAL  14  11.200  -0.113   5.038
  114   HG13  VAL  14          HG13      VAL  14  12.542  -1.256   5.028
  115   HG21  VAL  14          HG21      VAL  14  11.712   0.226   7.193
  116   HG22  VAL  14          HG22      VAL  14  12.805   1.553   7.588
  117   HG23  VAL  14          HG23      VAL  14  13.401  -0.107   7.573
  118    H    CYS  15           HN       CYS  15  14.556  -2.013   4.907
  119    HA   CYS  15           HA       CYS  15  15.138  -1.622   1.993
  120    HB2  CYS  15           HB2      CYS  15  16.672  -2.910   4.096
  121    HB3  CYS  15           HB1      CYS  15  16.265  -4.066   2.828
  122    H    VAL  16           HN       VAL  16  13.541  -2.530   0.811
  123    HA   VAL  16           HA       VAL  16  12.368  -5.134   1.540
  124    HB   VAL  16           HB       VAL  16  10.782  -2.550   1.324
  125   HG11  VAL  16          HG11      VAL  16   9.987  -5.447   1.350
  126   HG12  VAL  16          HG12      VAL  16   9.345  -4.125   0.376
  127   HG13  VAL  16          HG13      VAL  16   8.920  -4.250   2.083
  128   HG21  VAL  16          HG21      VAL  16  11.442  -4.414   3.612
  129   HG22  VAL  16          HG22      VAL  16  10.072  -3.307   3.679
  130   HG23  VAL  16          HG23      VAL  16  11.709  -2.674   3.515
  131    H    GLY  17           HN       GLY  17  12.292  -6.255  -0.293
  132    HA2  GLY  17           HA2      GLY  17  11.198  -5.131  -2.712
  133    HA3  GLY  17           HA1      GLY  17  12.948  -5.353  -2.816
  134    H    ARG  18           HN       ARG  18   9.936  -6.891  -3.039
  135    HA   ARG  18           HA       ARG  18  11.242  -9.326  -3.790
  136    HB2  ARG  18           HB2      ARG  18  10.719 -10.659  -1.892
  137    HB3  ARG  18           HB1      ARG  18  11.328  -9.138  -1.234
  138    HG2  ARG  18           HG2      ARG  18   8.410  -9.184  -1.706
  139    HG3  ARG  18           HG1      ARG  18   8.975 -10.313  -0.476
  140    HD2  ARG  18           HD2      ARG  18   8.585  -8.284   0.710
  141    HD3  ARG  18           HD1      ARG  18  10.340  -8.299   0.441
  142    HE   ARG  18           HE       ARG  18  10.053  -6.469  -1.008
  143   HH11  ARG  18          HH11      ARG  18   7.034  -8.074  -0.445
  144   HH12  ARG  18          HH12      ARG  18   6.150  -7.049  -1.522
  145   HH21  ARG  18          HH21      ARG  18   8.917  -5.216  -2.505
  146   HH22  ARG  18          HH22      ARG  18   7.208  -5.440  -2.683
  Start of MODEL    8
    1    H1   ARG   1           HT1      ARG   1  13.084  -8.630 -10.698
    2    H2   ARG   1           HT2      ARG   1  12.072  -9.891 -11.219
    3    H3   ARG   1           HT3      ARG   1  13.294 -10.195 -10.078
    4    HA   ARG   1           HA       ARG   1  11.184 -10.095  -8.936
    5    HB2  ARG   1           HB2      ARG   1  13.542  -8.716  -8.427
    6    HB3  ARG   1           HB1      ARG   1  12.300  -7.490  -8.169
    7    HG2  ARG   1           HG2      ARG   1  11.152  -8.895  -6.570
    8    HG3  ARG   1           HG1      ARG   1  12.214 -10.256  -6.933
    9    HD2  ARG   1           HD2      ARG   1  13.520  -7.712  -6.062
   10    HD3  ARG   1           HD1      ARG   1  12.680  -8.670  -4.827
   11    HE   ARG   1           HE       ARG   1  14.138 -10.540  -6.293
   12   HH11  ARG   1          HH11      ARG   1  16.514  -9.699  -6.807
   13   HH12  ARG   1          HH12      ARG   1  17.357  -9.285  -5.352
   14   HH21  ARG   1          HH21      ARG   1  14.483  -9.124  -3.418
   15   HH22  ARG   1          HH22      ARG   1  16.208  -8.958  -3.434
   16    H    GLY   2           HN       GLY   2   9.987  -7.805  -7.937
   17    HA2  GLY   2           HA2      GLY   2   8.842  -6.481 -10.364
   18    HA3  GLY   2           HA1      GLY   2   7.808  -7.060  -9.058
   19    H    GLY   3           HN       GLY   3  10.544  -5.982  -7.557
   20    HA2  GLY   3           HA2      GLY   3  10.359  -3.144  -7.646
   21    HA3  GLY   3           HA1      GLY   3   9.307  -3.723  -6.354
   22    H    ARG   4           HN       ARG   4  12.180  -2.415  -6.714
   23    HA   ARG   4           HA       ARG   4  13.276  -4.067  -4.520
   24    HB2  ARG   4           HB2      ARG   4  14.827  -2.697  -6.741
   25    HB3  ARG   4           HB1      ARG   4  15.508  -3.709  -5.474
   26    HG2  ARG   4           HG2      ARG   4  15.363  -5.196  -7.280
   27    HG3  ARG   4           HG1      ARG   4  13.899  -5.545  -6.367
   28    HD2  ARG   4           HD2      ARG   4  13.857  -5.113  -9.027
   29    HD3  ARG   4           HD1      ARG   4  12.513  -4.624  -7.989
   30    HE   ARG   4           HE       ARG   4  13.400  -2.338  -8.005
   31   HH11  ARG   4          HH11      ARG   4  16.038  -4.023  -9.010
   32   HH12  ARG   4          HH12      ARG   4  16.345  -3.100 -10.443
   33   HH21  ARG   4          HH21      ARG   4  13.331  -1.391 -10.307
   34   HH22  ARG   4          HH22      ARG   4  14.812  -1.611 -11.177
   35    H    LEU   5           HN       LEU   5  12.843  -2.689  -2.858
   36    HA   LEU   5           HA       LEU   5  13.640   0.166  -3.159
   37    HB2  LEU   5           HB2      LEU   5  11.611  -1.179  -1.336
   38    HB3  LEU   5           HB1      LEU   5  11.913   0.554  -1.422
   39    HG   LEU   5           HG       LEU   5  10.002   0.205  -2.785
   40   HD11  LEU   5          HD11      LEU   5  12.199   1.319  -3.841
   41   HD12  LEU   5          HD12      LEU   5  10.702   1.153  -4.758
   42   HD13  LEU   5          HD13      LEU   5  12.005  -0.015  -4.978
   43   HD21  LEU   5          HD21      LEU   5  11.107  -1.781  -4.646
   44   HD22  LEU   5          HD22      LEU   5   9.523  -1.724  -3.875
   45   HD23  LEU   5          HD23      LEU   5  10.902  -2.397  -3.006
   46    H    CYS   6           HN       CYS   6  15.581   0.359  -2.268
   47    HA   CYS   6           HA       CYS   6  16.023  -0.572   0.516
   48    HB2  CYS   6           HB2      CYS   6  16.726  -2.280  -1.363
   49    HB3  CYS   6           HB1      CYS   6  18.097  -1.191  -1.575
   50    H    TYR   7           HN       TYR   7  16.816   1.069   1.579
   51    HA   TYR   7           HA       TYR   7  19.035   2.681   0.632
   52    HB2  TYR   7           HB2      TYR   7  17.296   4.724   0.985
   53    HB3  TYR   7           HB1      TYR   7  17.528   3.973  -0.587
   54    HD1  TYR   7           HD1      TYR   7  15.852   3.110  -1.663
   55    HD2  TYR   7           HD2      TYR   7  15.674   3.585   2.562
   56    HE1  TYR   7           HE1      TYR   7  13.525   2.344  -1.724
   57    HE2  TYR   7           HE2      TYR   7  13.337   2.828   2.565
   58    HH   TYR   7           HH       TYR   7  11.390   2.761   0.853
   59    H    CYS   8           HN       CYS   8  19.602   4.151   2.275
   60    HA   CYS   8           HA       CYS   8  18.284   3.855   4.909
   61    HB2  CYS   8           HB2      CYS   8  20.009   2.068   4.346
   62    HB3  CYS   8           HB1      CYS   8  21.211   3.347   4.510
   63    H    ARG   9           HN       ARG   9  18.059   5.808   5.622
   64    HA   ARG   9           HA       ARG   9  20.164   7.894   5.268
   65    HB2  ARG   9           HB2      ARG   9  17.180   7.853   4.935
   66    HB3  ARG   9           HB1      ARG   9  17.982   9.365   5.358
   67    HG2  ARG   9           HG2      ARG   9  17.966   9.409   3.011
   68    HG3  ARG   9           HG1      ARG   9  19.579   8.812   3.395
   69    HD2  ARG   9           HD2      ARG   9  17.893   6.529   3.289
   70    HD3  ARG   9           HD1      ARG   9  17.524   7.509   1.857
   71    HE   ARG   9           HE       ARG   9  20.319   6.730   2.613
   72   HH11  ARG   9          HH11      ARG   9  19.071   8.813   0.489
   73   HH12  ARG   9          HH12      ARG   9  19.509   7.973  -0.962
   74   HH21  ARG   9          HH21      ARG   9  20.357   5.038   0.679
   75   HH22  ARG   9          HH22      ARG   9  20.236   5.836  -0.853
   76    HA   PRO  10           HA       PRO  10  20.121   7.870   9.695
   77    HB2  PRO  10           HB2      PRO  10  20.872  10.501  10.129
   78    HB3  PRO  10           HB1      PRO  10  22.005   9.191   9.727
   79    HG2  PRO  10           HG2      PRO  10  20.707  11.181   7.900
   80    HG3  PRO  10           HG1      PRO  10  22.409  10.681   7.984
   81    HD2  PRO  10           HD2      PRO  10  20.839   9.649   6.117
   82    HD3  PRO  10           HD1      PRO  10  21.969   8.587   6.992
   83    H    ARG  11           HN       ARG  11  18.148   9.836   7.684
   84    HA   ARG  11           HA       ARG  11  16.474  10.929   9.822
   85    HB2  ARG  11           HB2      ARG  11  16.242  10.848   6.821
   86    HB3  ARG  11           HB1      ARG  11  15.209  11.806   7.880
   87    HG2  ARG  11           HG2      ARG  11  18.227  12.070   7.718
   88    HG3  ARG  11           HG1      ARG  11  17.087  13.128   6.886
   89    HD2  ARG  11           HD2      ARG  11  17.024  12.710   9.890
   90    HD3  ARG  11           HD1      ARG  11  17.929  14.023   9.116
   91    HE   ARG  11           HE       ARG  11  15.090  13.724   8.327
   92   HH11  ARG  11          HH11      ARG  11  14.997  16.122   7.654
   93   HH12  ARG  11          HH12      ARG  11  15.170  17.207   8.992
   94   HH21  ARG  11          HH21      ARG  11  16.411  14.784  11.140
   95   HH22  ARG  11          HH22      ARG  11  15.971  16.451  10.966
   96    H    PHE  12           HN       PHE  12  16.594   8.218   7.723
   97    HA   PHE  12           HA       PHE  12  14.545   6.697   9.125
   98    HB2  PHE  12           HB2      PHE  12  13.015   6.687   7.115
   99    HB3  PHE  12           HB1      PHE  12  13.146   8.298   7.844
  100    HD1  PHE  12           HD1      PHE  12  14.390  10.036   6.824
  101    HD2  PHE  12           HD2      PHE  12  14.299   6.133   5.071
  102    HE1  PHE  12           HE1      PHE  12  15.415  10.959   4.777
  103    HE2  PHE  12           HE2      PHE  12  15.309   7.040   3.003
  104    HZ   PHE  12           HZ       PHE  12  15.871   9.459   2.838
  105    H    CYS  13           HN       CYS  13  14.512   4.451   8.012
  106    HA   CYS  13           HA       CYS  13  16.098   4.183   5.627
  107    HB2  CYS  13           HB2      CYS  13  17.983   4.620   6.892
  108    HB3  CYS  13           HB1      CYS  13  17.288   3.947   8.359
  109    H    VAL  14           HN       VAL  14  15.465   2.281   4.690
  110    HA   VAL  14           HA       VAL  14  14.892  -0.136   6.235
  111    HB   VAL  14           HB       VAL  14  12.847   1.813   5.344
  112   HG11  VAL  14          HG11      VAL  14  12.504  -1.174   4.987
  113   HG12  VAL  14          HG12      VAL  14  12.291   0.082   3.767
  114   HG13  VAL  14          HG13      VAL  14  11.147  -0.053   5.102
  115   HG21  VAL  14          HG21      VAL  14  13.365  -0.084   7.576
  116   HG22  VAL  14          HG22      VAL  14  11.678   0.287   7.222
  117   HG23  VAL  14          HG23      VAL  14  12.800   1.586   7.628
  118    H    CYS  15           HN       CYS  15  14.479  -1.950   4.827
  119    HA   CYS  15           HA       CYS  15  14.977  -1.458   1.916
  120    HB2  CYS  15           HB2      CYS  15  17.028  -2.130   3.198
  121    HB3  CYS  15           HB1      CYS  15  16.211  -3.636   3.620
  122    H    VAL  16           HN       VAL  16  13.582  -2.538   0.651
  123    HA   VAL  16           HA       VAL  16  12.375  -5.104   1.407
  124    HB   VAL  16           HB       VAL  16  10.805  -2.519   1.124
  125   HG11  VAL  16          HG11      VAL  16   8.934  -4.344   1.781
  126   HG12  VAL  16          HG12      VAL  16  10.018  -5.377   0.847
  127   HG13  VAL  16          HG13      VAL  16   9.315  -3.940   0.106
  128   HG21  VAL  16          HG21      VAL  16  11.319  -4.450   3.388
  129   HG22  VAL  16          HG22      VAL  16   9.924  -3.372   3.399
  130   HG23  VAL  16          HG23      VAL  16  11.555  -2.702   3.365
  131    H    GLY  17           HN       GLY  17  12.230  -6.270  -0.398
  132    HA2  GLY  17           HA2      GLY  17  11.355  -5.125  -2.900
  133    HA3  GLY  17           HA1      GLY  17  13.082  -5.498  -2.901
  134    H    ARG  18           HN       ARG  18   9.968  -6.774  -3.266
  135    HA   ARG  18           HA       ARG  18  11.089  -9.346  -3.874
  136    HB2  ARG  18           HB2      ARG  18  10.330 -10.554  -1.976
  137    HB3  ARG  18           HB1      ARG  18  11.028  -9.071  -1.320
  138    HG2  ARG  18           HG2      ARG  18   8.073  -9.472  -1.880
  139    HG3  ARG  18           HG1      ARG  18   8.825  -9.671  -0.298
  140    HD2  ARG  18           HD2      ARG  18   8.260  -7.453  -0.083
  141    HD3  ARG  18           HD1      ARG  18   9.774  -7.211  -0.980
  142    HE   ARG  18           HE       ARG  18   7.586  -7.759  -2.784
  143   HH11  ARG  18          HH11      ARG  18   6.036  -5.962  -3.048
  144   HH12  ARG  18          HH12      ARG  18   6.715  -4.369  -2.983
  145   HH21  ARG  18          HH21      ARG  18   9.767  -5.426  -1.728
  146   HH22  ARG  18          HH22      ARG  18   8.822  -4.067  -2.236
  Start of MODEL    9
    1    H1   ARG   1           HT1      ARG   1  12.465  -9.595 -11.205
    2    H2   ARG   1           HT2      ARG   1  13.715  -9.851 -10.083
    3    H3   ARG   1           HT3      ARG   1  13.610  -8.376 -10.919
    4    HA   ARG   1           HA       ARG   1  11.591  -9.370  -8.969
    5    HB2  ARG   1           HB2      ARG   1  14.147  -8.527  -8.490
    6    HB3  ARG   1           HB1      ARG   1  13.281  -6.992  -8.459
    7    HG2  ARG   1           HG2      ARG   1  13.224  -7.822  -6.217
    8    HG3  ARG   1           HG1      ARG   1  11.616  -8.110  -6.883
    9    HD2  ARG   1           HD2      ARG   1  12.379 -10.131  -5.717
   10    HD3  ARG   1           HD1      ARG   1  12.345 -10.454  -7.462
   11    HE   ARG   1           HE       ARG   1  14.778 -10.142  -7.511
   12   HH11  ARG   1          HH11      ARG   1  15.831 -11.974  -6.150
   13   HH12  ARG   1          HH12      ARG   1  16.179 -11.478  -4.528
   14   HH21  ARG   1          HH21      ARG   1  14.123  -8.688  -4.661
   15   HH22  ARG   1          HH22      ARG   1  15.211  -9.617  -3.684
   16    H    GLY   2           HN       GLY   2   9.966  -7.733  -8.523
   17    HA2  GLY   2           HA2      GLY   2   9.662  -5.759 -10.748
   18    HA3  GLY   2           HA1      GLY   2   8.309  -6.499  -9.893
   19    H    GLY   3           HN       GLY   3  10.242  -6.043  -7.402
   20    HA2  GLY   3           HA2      GLY   3   9.899  -3.122  -7.079
   21    HA3  GLY   3           HA1      GLY   3   9.013  -4.154  -5.957
   22    H    ARG   4           HN       ARG   4  11.854  -2.494  -6.404
   23    HA   ARG   4           HA       ARG   4  13.080  -4.141  -4.277
   24    HB2  ARG   4           HB2      ARG   4  14.524  -2.712  -6.529
   25    HB3  ARG   4           HB1      ARG   4  15.260  -3.742  -5.311
   26    HG2  ARG   4           HG2      ARG   4  15.072  -5.195  -7.138
   27    HG3  ARG   4           HG1      ARG   4  13.637  -5.576  -6.193
   28    HD2  ARG   4           HD2      ARG   4  13.513  -5.082  -8.839
   29    HD3  ARG   4           HD1      ARG   4  12.198  -4.624  -7.750
   30    HE   ARG   4           HE       ARG   4  13.034  -2.335  -7.774
   31   HH11  ARG   4          HH11      ARG   4  12.816  -2.384 -10.592
   32   HH12  ARG   4          HH12      ARG   4  14.422  -2.121 -11.183
   33   HH21  ARG   4          HH21      ARG   4  15.947  -2.935  -8.178
   34   HH22  ARG   4          HH22      ARG   4  16.194  -2.433  -9.817
   35    H    LEU   5           HN       LEU   5  12.675  -2.773  -2.585
   36    HA   LEU   5           HA       LEU   5  13.421   0.095  -2.909
   37    HB2  LEU   5           HB2      LEU   5  11.465  -1.275  -1.025
   38    HB3  LEU   5           HB1      LEU   5  11.746   0.461  -1.118
   39    HG   LEU   5           HG       LEU   5   9.794   0.088  -2.417
   40   HD11  LEU   5          HD11      LEU   5  11.735  -0.080  -4.669
   41   HD12  LEU   5          HD12      LEU   5  11.937   1.248  -3.525
   42   HD13  LEU   5          HD13      LEU   5  10.419   1.063  -4.402
   43   HD21  LEU   5          HD21      LEU   5  10.734  -2.497  -2.694
   44   HD22  LEU   5          HD22      LEU   5  10.866  -1.862  -4.332
   45   HD23  LEU   5          HD23      LEU   5   9.311  -1.843  -3.502
   46    H    CYS   6           HN       CYS   6  15.402   0.290  -2.082
   47    HA   CYS   6           HA       CYS   6  15.897  -0.525   0.708
   48    HB2  CYS   6           HB2      CYS   6  16.434  -2.524  -0.653
   49    HB3  CYS   6           HB1      CYS   6  17.549  -1.560  -1.619
   50    H    TYR   7           HN       TYR   7  16.819   1.097   1.637
   51    HA   TYR   7           HA       TYR   7  19.112   2.521   0.582
   52    HB2  TYR   7           HB2      TYR   7  17.524   4.685   0.819
   53    HB3  TYR   7           HB1      TYR   7  17.641   3.812  -0.702
   54    HD1  TYR   7           HD1      TYR   7  15.878   3.802   2.523
   55    HD2  TYR   7           HD2      TYR   7  15.877   2.980  -1.652
   56    HE1  TYR   7           HE1      TYR   7  13.499   3.211   2.655
   57    HE2  TYR   7           HE2      TYR   7  13.503   2.384  -1.586
   58    HH   TYR   7           HH       TYR   7  11.889   1.589   1.091
   59    H    CYS   8           HN       CYS   8  19.761   4.057   2.168
   60    HA   CYS   8           HA       CYS   8  18.446   3.841   4.821
   61    HB2  CYS   8           HB2      CYS   8  20.255   2.121   4.245
   62    HB3  CYS   8           HB1      CYS   8  21.387   3.458   4.429
   63    H    ARG   9           HN       ARG   9  18.157   5.792   5.499
   64    HA   ARG   9           HA       ARG   9  20.174   7.951   5.089
   65    HB2  ARG   9           HB2      ARG   9  17.188   7.808   4.752
   66    HB3  ARG   9           HB1      ARG   9  17.959   9.354   5.104
   67    HG2  ARG   9           HG2      ARG   9  17.939   9.298   2.758
   68    HG3  ARG   9           HG1      ARG   9  19.562   8.742   3.160
   69    HD2  ARG   9           HD2      ARG   9  17.898   6.435   3.160
   70    HD3  ARG   9           HD1      ARG   9  17.529   7.346   1.683
   71    HE   ARG   9           HE       ARG   9  20.368   6.818   2.464
   72   HH11  ARG   9          HH11      ARG   9  18.371   7.868   0.005
   73   HH12  ARG   9          HH12      ARG   9  19.046   6.857  -1.228
   74   HH21  ARG   9          HH21      ARG   9  20.988   5.012   0.972
   75   HH22  ARG   9          HH22      ARG   9  20.527   5.243  -0.681
   76    HA   PRO  10           HA       PRO  10  20.095   8.028   9.515
   77    HB2  PRO  10           HB2      PRO  10  20.721  10.701   9.895
   78    HB3  PRO  10           HB1      PRO  10  21.916   9.435   9.534
   79    HG2  PRO  10           HG2      PRO  10  20.542  11.317   7.647
   80    HG3  PRO  10           HG1      PRO  10  22.265  10.904   7.760
   81    HD2  PRO  10           HD2      PRO  10  20.775   9.749   5.903
   82    HD3  PRO  10           HD1      PRO  10  21.936   8.762   6.825
   83    H    ARG  11           HN       ARG  11  18.055   9.861   7.446
   84    HA   ARG  11           HA       ARG  11  16.315  10.932   9.537
   85    HB2  ARG  11           HB2      ARG  11  16.157  10.744   6.536
   86    HB3  ARG  11           HB1      ARG  11  14.999  11.627   7.531
   87    HG2  ARG  11           HG2      ARG  11  17.984  12.165   7.472
   88    HG3  ARG  11           HG1      ARG  11  16.783  13.096   6.575
   89    HD2  ARG  11           HD2      ARG  11  16.135  12.789   9.437
   90    HD3  ARG  11           HD1      ARG  11  17.616  13.715   9.120
   91    HE   ARG  11           HE       ARG  11  14.902  14.418   8.140
   92   HH11  ARG  11          HH11      ARG  11  15.108  16.780   8.792
   93   HH12  ARG  11          HH12      ARG  11  16.393  17.619   7.990
   94   HH21  ARG  11          HH21      ARG  11  17.944  14.724   6.877
   95   HH22  ARG  11          HH22      ARG  11  17.999  16.454   6.906
   96    H    PHE  12           HN       PHE  12  16.561   8.172   7.503
   97    HA   PHE  12           HA       PHE  12  14.592   6.589   8.955
   98    HB2  PHE  12           HB2      PHE  12  13.055   6.467   6.955
   99    HB3  PHE  12           HB1      PHE  12  13.120   8.098   7.646
  100    HD1  PHE  12           HD1      PHE  12  14.278   9.864   6.579
  101    HD2  PHE  12           HD2      PHE  12  14.360   5.920   4.919
  102    HE1  PHE  12           HE1      PHE  12  15.259  10.783   4.508
  103    HE2  PHE  12           HE2      PHE  12  15.326   6.822   2.828
  104    HZ   PHE  12           HZ       PHE  12  15.780   9.259   2.605
  105    H    CYS  13           HN       CYS  13  14.631   4.328   7.892
  106    HA   CYS  13           HA       CYS  13  16.217   4.055   5.501
  107    HB2  CYS  13           HB2      CYS  13  18.084   4.586   6.762
  108    HB3  CYS  13           HB1      CYS  13  17.421   3.897   8.235
  109    H    VAL  14           HN       VAL  14  15.515   2.157   4.599
  110    HA   VAL  14           HA       VAL  14  15.102  -0.279   6.173
  111    HB   VAL  14           HB       VAL  14  12.943   1.594   5.362
  112   HG11  VAL  14          HG11      VAL  14  12.700  -1.416   5.154
  113   HG12  VAL  14          HG12      VAL  14  12.343  -0.222   3.906
  114   HG13  VAL  14          HG13      VAL  14  11.306  -0.348   5.328
  115   HG21  VAL  14          HG21      VAL  14  13.045   1.475   7.651
  116   HG22  VAL  14          HG22      VAL  14  13.681  -0.171   7.638
  117   HG23  VAL  14          HG23      VAL  14  11.960   0.112   7.379
  118    H    CYS  15           HN       CYS  15  14.679  -2.108   4.782
  119    HA   CYS  15           HA       CYS  15  14.915  -1.592   1.845
  120    HB2  CYS  15           HB2      CYS  15  16.628  -3.280   3.667
  121    HB3  CYS  15           HB1      CYS  15  16.536  -3.621   1.939
  122    H    VAL  16           HN       VAL  16  13.208  -2.577   0.895
  123    HA   VAL  16           HA       VAL  16  12.483  -5.351   1.579
  124    HB   VAL  16           HB       VAL  16  10.596  -2.981   1.822
  125   HG11  VAL  16          HG11      VAL  16  10.088  -5.958   2.120
  126   HG12  VAL  16          HG12      VAL  16   9.463  -4.922   0.838
  127   HG13  VAL  16          HG13      VAL  16   8.923  -4.690   2.500
  128   HG21  VAL  16          HG21      VAL  16  11.844  -4.877   3.821
  129   HG22  VAL  16          HG22      VAL  16  10.382  -3.961   4.192
  130   HG23  VAL  16          HG23      VAL  16  11.883  -3.113   3.820
  131    H    GLY  17           HN       GLY  17  12.237  -6.357  -0.306
  132    HA2  GLY  17           HA2      GLY  17  10.671  -5.206  -2.441
  133    HA3  GLY  17           HA1      GLY  17  12.398  -5.245  -2.813
  134    H    ARG  18           HN       ARG  18   9.544  -7.045  -2.798
  135    HA   ARG  18           HA       ARG  18  11.045  -9.342  -3.727
  136    HB2  ARG  18           HB2      ARG  18  10.409 -10.802  -1.888
  137    HB3  ARG  18           HB1      ARG  18  11.219  -9.358  -1.257
  138    HG2  ARG  18           HG2      ARG  18   8.223  -9.353  -1.526
  139    HG3  ARG  18           HG1      ARG  18   8.962 -10.188  -0.162
  140    HD2  ARG  18           HD2      ARG  18   9.178  -7.250  -0.879
  141    HD3  ARG  18           HD1      ARG  18   8.609  -7.973   0.638
  142    HE   ARG  18           HE       ARG  18  11.445  -7.902  -0.263
  143   HH11  ARG  18          HH11      ARG  18   9.338  -9.649   1.724
  144   HH12  ARG  18          HH12      ARG  18  10.310  -9.510   3.152
  145   HH21  ARG  18          HH21      ARG  18  12.579  -7.316   1.720
  146   HH22  ARG  18          HH22      ARG  18  12.141  -8.191   3.149
  Start of MODEL   10
    1    H1   ARG   1           HT1      ARG   1  13.336  -6.664 -10.269
    2    H2   ARG   1           HT2      ARG   1  12.608  -7.376 -11.631
    3    H3   ARG   1           HT3      ARG   1  13.748  -8.246 -10.721
    4    HA   ARG   1           HA       ARG   1  11.611  -9.082 -10.119
    5    HB2  ARG   1           HB2      ARG   1  13.546  -8.080  -8.456
    6    HB3  ARG   1           HB1      ARG   1  12.111  -7.258  -7.844
    7    HG2  ARG   1           HG2      ARG   1  12.282  -9.327  -6.638
    8    HG3  ARG   1           HG1      ARG   1  10.967  -9.526  -7.796
    9    HD2  ARG   1           HD2      ARG   1  12.393 -11.515  -7.871
   10    HD3  ARG   1           HD1      ARG   1  12.620 -10.603  -9.377
   11    HE   ARG   1           HE       ARG   1  14.791  -9.969  -8.629
   12   HH11  ARG   1          HH11      ARG   1  14.947 -12.666  -7.383
   13   HH12  ARG   1          HH12      ARG   1  15.376 -12.298  -5.746
   14   HH21  ARG   1          HH21      ARG   1  14.468  -8.960  -5.978
   15   HH22  ARG   1          HH22      ARG   1  15.106 -10.200  -4.950
   16    H    GLY   2           HN       GLY   2   9.740  -8.162  -8.427
   17    HA2  GLY   2           HA2      GLY   2   8.175  -6.338 -10.074
   18    HA3  GLY   2           HA1      GLY   2   7.658  -7.055  -8.549
   19    H    GLY   3           HN       GLY   3  10.299  -6.010  -7.348
   20    HA2  GLY   3           HA2      GLY   3  10.350  -3.172  -7.453
   21    HA3  GLY   3           HA1      GLY   3   9.250  -3.645  -6.160
   22    H    ARG   4           HN       ARG   4  12.198  -2.564  -6.512
   23    HA   ARG   4           HA       ARG   4  13.166  -4.248  -4.284
   24    HB2  ARG   4           HB2      ARG   4  14.812  -3.050  -6.536
   25    HB3  ARG   4           HB1      ARG   4  15.429  -4.050  -5.228
   26    HG2  ARG   4           HG2      ARG   4  15.200  -5.602  -6.964
   27    HG3  ARG   4           HG1      ARG   4  13.705  -5.816  -6.060
   28    HD2  ARG   4           HD2      ARG   4  13.734  -5.476  -8.740
   29    HD3  ARG   4           HD1      ARG   4  12.402  -4.883  -7.740
   30    HE   ARG   4           HE       ARG   4  13.383  -2.651  -7.837
   31   HH11  ARG   4          HH11      ARG   4  15.945  -4.583  -8.659
   32   HH12  ARG   4          HH12      ARG   4  16.424  -3.692 -10.066
   33   HH21  ARG   4          HH21      ARG   4  13.584  -1.701 -10.094
   34   HH22  ARG   4          HH22      ARG   4  15.086  -2.062 -10.879
   35    H    LEU   5           HN       LEU   5  12.828  -2.802  -2.654
   36    HA   LEU   5           HA       LEU   5  13.794  -0.008  -3.034
   37    HB2  LEU   5           HB2      LEU   5  11.678  -1.178  -1.187
   38    HB3  LEU   5           HB1      LEU   5  12.077   0.532  -1.329
   39    HG   LEU   5           HG       LEU   5  10.157   0.246  -2.697
   40   HD11  LEU   5          HD11      LEU   5  12.414   1.204  -3.770
   41   HD12  LEU   5          HD12      LEU   5  10.922   1.076  -4.701
   42   HD13  LEU   5          HD13      LEU   5  12.167  -0.162  -4.858
   43   HD21  LEU   5          HD21      LEU   5  11.158  -1.863  -4.479
   44   HD22  LEU   5          HD22      LEU   5   9.577  -1.691  -3.723
   45   HD23  LEU   5          HD23      LEU   5  10.910  -2.409  -2.822
   46    H    CYS   6           HN       CYS   6  15.742   0.099  -2.122
   47    HA   CYS   6           HA       CYS   6  16.070  -0.738   0.704
   48    HB2  CYS   6           HB2      CYS   6  16.695  -2.587  -1.039
   49    HB3  CYS   6           HB1      CYS   6  18.119  -1.588  -1.335
   50    H    TYR   7           HN       TYR   7  16.909   0.907   1.710
   51    HA   TYR   7           HA       TYR   7  19.267   2.329   0.800
   52    HB2  TYR   7           HB2      TYR   7  17.666   4.496   0.936
   53    HB3  TYR   7           HB1      TYR   7  17.894   3.627  -0.575
   54    HD1  TYR   7           HD1      TYR   7  15.910   3.587   2.519
   55    HD2  TYR   7           HD2      TYR   7  16.197   2.814  -1.655
   56    HE1  TYR   7           HE1      TYR   7  13.530   2.985   2.483
   57    HE2  TYR   7           HE2      TYR   7  13.827   2.210  -1.757
   58    HH   TYR   7           HH       TYR   7  11.996   1.519   0.976
   59    H    CYS   8           HN       CYS   8  19.824   3.871   2.400
   60    HA   CYS   8           HA       CYS   8  18.351   3.748   4.968
   61    HB2  CYS   8           HB2      CYS   8  20.072   1.912   4.589
   62    HB3  CYS   8           HB1      CYS   8  21.285   3.182   4.752
   63    H    ARG   9           HN       ARG   9  18.115   5.737   5.561
   64    HA   ARG   9           HA       ARG   9  20.279   7.767   5.263
   65    HB2  ARG   9           HB2      ARG   9  17.336   7.765   4.660
   66    HB3  ARG   9           HB1      ARG   9  18.136   9.282   5.071
   67    HG2  ARG   9           HG2      ARG   9  18.348   9.200   2.740
   68    HG3  ARG   9           HG1      ARG   9  19.893   8.564   3.300
   69    HD2  ARG   9           HD2      ARG   9  18.131   6.344   3.157
   70    HD3  ARG   9           HD1      ARG   9  17.928   7.258   1.650
   71    HE   ARG   9           HE       ARG   9  20.637   6.503   2.685
   72   HH11  ARG   9          HH11      ARG   9  21.029   4.661   1.046
   73   HH12  ARG   9          HH12      ARG   9  20.898   5.182  -0.600
   74   HH21  ARG   9          HH21      ARG   9  19.284   8.147   0.187
   75   HH22  ARG   9          HH22      ARG   9  19.909   7.154  -1.086
   76    HA   PRO  10           HA       PRO  10  19.849   7.997   9.661
   77    HB2  PRO  10           HB2      PRO  10  20.588  10.644  10.014
   78    HB3  PRO  10           HB1      PRO  10  21.737   9.306   9.788
   79    HG2  PRO  10           HG2      PRO  10  20.627  11.196   7.744
   80    HG3  PRO  10           HG1      PRO  10  22.310  10.693   8.007
   81    HD2  PRO  10           HD2      PRO  10  20.904   9.563   6.068
   82    HD3  PRO  10           HD1      PRO  10  21.936   8.545   7.104
   83    H    ARG  11           HN       ARG  11  18.112   9.917   7.386
   84    HA   ARG  11           HA       ARG  11  16.260  11.134   9.282
   85    HB2  ARG  11           HB2      ARG  11  16.280  10.797   6.288
   86    HB3  ARG  11           HB1      ARG  11  15.148  11.823   7.169
   87    HG2  ARG  11           HG2      ARG  11  18.160  12.126   7.313
   88    HG3  ARG  11           HG1      ARG  11  17.136  13.051   6.214
   89    HD2  ARG  11           HD2      ARG  11  16.467  13.004   9.148
   90    HD3  ARG  11           HD1      ARG  11  17.739  14.088   8.551
   91    HE   ARG  11           HE       ARG  11  14.907  14.116   7.584
   92   HH11  ARG  11          HH11      ARG  11  17.747  15.131   6.329
   93   HH12  ARG  11          HH12      ARG  11  17.427  16.831   6.406
   94   HH21  ARG  11          HH21      ARG  11  14.603  16.479   8.387
   95   HH22  ARG  11          HH22      ARG  11  15.647  17.594   7.571
   96    H    PHE  12           HN       PHE  12  16.516   8.280   7.381
   97    HA   PHE  12           HA       PHE  12  14.386   6.844   8.751
   98    HB2  PHE  12           HB2      PHE  12  12.981   6.706   6.656
   99    HB3  PHE  12           HB1      PHE  12  13.073   8.361   7.288
  100    HD1  PHE  12           HD1      PHE  12  14.397   6.023   4.737
  101    HD2  PHE  12           HD2      PHE  12  14.371  10.033   6.233
  102    HE1  PHE  12           HE1      PHE  12  15.551   6.795   2.690
  103    HE2  PHE  12           HE2      PHE  12  15.514  10.827   4.193
  104    HZ   PHE  12           HZ       PHE  12  16.108   9.203   2.397
  105    H    CYS  13           HN       CYS  13  14.410   4.538   7.787
  106    HA   CYS  13           HA       CYS  13  16.128   4.112   5.517
  107    HB2  CYS  13           HB2      CYS  13  17.943   4.612   6.856
  108    HB3  CYS  13           HB1      CYS  13  17.158   4.041   8.320
  109    H    VAL  14           HN       VAL  14  15.462   2.187   4.652
  110    HA   VAL  14           HA       VAL  14  14.826  -0.149   6.297
  111    HB   VAL  14           HB       VAL  14  12.819   1.761   5.232
  112   HG11  VAL  14          HG11      VAL  14  11.123  -0.156   5.151
  113   HG12  VAL  14          HG12      VAL  14  12.510  -1.241   5.050
  114   HG13  VAL  14          HG13      VAL  14  12.233  -0.045   3.785
  115   HG21  VAL  14          HG21      VAL  14  13.286   0.047   7.616
  116   HG22  VAL  14          HG22      VAL  14  11.607   0.383   7.197
  117   HG23  VAL  14          HG23      VAL  14  12.718   1.714   7.522
  118    H    CYS  15           HN       CYS  15  14.425  -2.027   4.970
  119    HA   CYS  15           HA       CYS  15  15.057  -1.679   2.061
  120    HB2  CYS  15           HB2      CYS  15  16.976  -2.437   3.522
  121    HB3  CYS  15           HB1      CYS  15  16.045  -3.893   3.868
  122    H    VAL  16           HN       VAL  16  13.633  -2.671   0.781
  123    HA   VAL  16           HA       VAL  16  12.244  -5.151   1.512
  124    HB   VAL  16           HB       VAL  16  10.880  -2.454   1.225
  125   HG11  VAL  16          HG11      VAL  16   8.957  -4.440   1.788
  126   HG12  VAL  16          HG12      VAL  16   9.928  -5.082   0.464
  127   HG13  VAL  16          HG13      VAL  16   9.128  -3.520   0.293
  128   HG21  VAL  16          HG21      VAL  16   9.807  -3.365   3.414
  129   HG22  VAL  16          HG22      VAL  16  11.465  -2.766   3.486
  130   HG23  VAL  16          HG23      VAL  16  11.155  -4.502   3.422
  131    H    GLY  17           HN       GLY  17  12.220  -6.320  -0.306
  132    HA2  GLY  17           HA2      GLY  17  11.373  -5.197  -2.816
  133    HA3  GLY  17           HA1      GLY  17  13.113  -5.497  -2.788
  134    H    ARG  18           HN       ARG  18  10.049  -6.906  -3.192
  135    HA   ARG  18           HA       ARG  18  11.308  -9.415  -3.815
  136    HB2  ARG  18           HB2      ARG  18  10.670 -10.667  -1.937
  137    HB3  ARG  18           HB1      ARG  18  11.120  -9.110  -1.239
  138    HG2  ARG  18           HG2      ARG  18   8.309 -10.049  -1.876
  139    HG3  ARG  18           HG1      ARG  18   9.010  -9.845  -0.272
  140    HD2  ARG  18           HD2      ARG  18   8.470  -7.645  -2.298
  141    HD3  ARG  18           HD1      ARG  18   7.662  -7.881  -0.737
  142    HE   ARG  18           HE       ARG  18  10.190  -6.592  -1.069
  143   HH11  ARG  18          HH11      ARG  18   8.158  -7.028   1.334
  144   HH12  ARG  18          HH12      ARG  18   9.278  -7.578   2.535
  145   HH21  ARG  18          HH21      ARG  18  11.844  -8.140   0.273
  146   HH22  ARG  18          HH22      ARG  18  11.362  -8.206   1.935
  Start of MODEL   11
    1    H1   ARG   1           HT1      ARG   1  13.858  -8.041 -10.298
    2    H2   ARG   1           HT2      ARG   1  13.054  -6.551 -10.148
    3    H3   ARG   1           HT3      ARG   1  12.798  -7.523 -11.517
    4    HA   ARG   1           HA       ARG   1  11.607  -9.141 -10.285
    5    HB2  ARG   1           HB2      ARG   1  13.197  -7.840  -8.174
    6    HB3  ARG   1           HB1      ARG   1  11.563  -8.265  -7.669
    7    HG2  ARG   1           HG2      ARG   1  13.483 -10.180  -9.025
    8    HG3  ARG   1           HG1      ARG   1  13.215 -10.106  -7.283
    9    HD2  ARG   1           HD2      ARG   1  10.811 -10.383  -9.056
   10    HD3  ARG   1           HD1      ARG   1  11.823 -11.813  -8.774
   11    HE   ARG   1           HE       ARG   1  10.893 -10.174  -6.460
   12   HH11  ARG   1          HH11      ARG   1   9.300 -12.471  -8.025
   13   HH12  ARG   1          HH12      ARG   1   9.452 -13.732  -6.846
   14   HH21  ARG   1          HH21      ARG   1  11.882 -12.082  -5.004
   15   HH22  ARG   1          HH22      ARG   1  10.912 -13.512  -5.137
   16    H    GLY   2           HN       GLY   2   9.739  -8.400  -8.370
   17    HA2  GLY   2           HA2      GLY   2   8.040  -6.603  -9.861
   18    HA3  GLY   2           HA1      GLY   2   7.683  -7.265  -8.265
   19    H    GLY   3           HN       GLY   3  10.463  -6.084  -7.455
   20    HA2  GLY   3           HA2      GLY   3  10.525  -3.300  -7.649
   21    HA3  GLY   3           HA1      GLY   3   9.400  -3.639  -6.335
   22    H    ARG   4           HN       ARG   4  12.327  -2.608  -6.649
   23    HA   ARG   4           HA       ARG   4  13.278  -4.258  -4.386
   24    HB2  ARG   4           HB2      ARG   4  14.987  -2.988  -6.546
   25    HB3  ARG   4           HB1      ARG   4  15.539  -4.068  -5.275
   26    HG2  ARG   4           HG2      ARG   4  15.364  -5.506  -7.119
   27    HG3  ARG   4           HG1      ARG   4  13.842  -5.766  -6.273
   28    HD2  ARG   4           HD2      ARG   4  13.936  -5.271  -8.919
   29    HD3  ARG   4           HD1      ARG   4  12.595  -4.699  -7.918
   30    HE   ARG   4           HE       ARG   4  13.601  -2.488  -7.896
   31   HH11  ARG   4          HH11      ARG   4  16.256  -4.313  -8.527
   32   HH12  ARG   4          HH12      ARG   4  16.812  -3.416  -9.900
   33   HH21  ARG   4          HH21      ARG   4  13.903  -1.551 -10.191
   34   HH22  ARG   4          HH22      ARG   4  15.479  -1.852 -10.842
   35    H    LEU   5           HN       LEU   5  12.880  -2.828  -2.756
   36    HA   LEU   5           HA       LEU   5  13.759  -0.005  -3.114
   37    HB2  LEU   5           HB2      LEU   5  11.690  -1.277  -1.284
   38    HB3  LEU   5           HB1      LEU   5  12.035   0.449  -1.381
   39    HG   LEU   5           HG       LEU   5  10.125   0.131  -2.760
   40   HD11  LEU   5          HD11      LEU   5  12.184  -0.133  -4.905
   41   HD12  LEU   5          HD12      LEU   5  12.329   1.222  -3.787
   42   HD13  LEU   5          HD13      LEU   5  10.865   1.028  -4.751
   43   HD21  LEU   5          HD21      LEU   5   9.627  -1.787  -3.871
   44   HD22  LEU   5          HD22      LEU   5  10.961  -2.490  -2.956
   45   HD23  LEU   5          HD23      LEU   5  11.232  -1.891  -4.592
   46    H    CYS   6           HN       CYS   6  15.713   0.156  -2.225
   47    HA   CYS   6           HA       CYS   6  16.108  -0.707   0.589
   48    HB2  CYS   6           HB2      CYS   6  17.180  -2.018  -1.782
   49    HB3  CYS   6           HB1      CYS   6  18.479  -1.451  -0.732
   50    H    TYR   7           HN       TYR   7  16.885   0.956   1.617
   51    HA   TYR   7           HA       TYR   7  19.151   2.514   0.703
   52    HB2  TYR   7           HB2      TYR   7  17.432   4.590   0.935
   53    HB3  TYR   7           HB1      TYR   7  17.701   3.788  -0.606
   54    HD1  TYR   7           HD1      TYR   7  16.042   2.922  -1.710
   55    HD2  TYR   7           HD2      TYR   7  15.742   3.524   2.492
   56    HE1  TYR   7           HE1      TYR   7  13.707   2.192  -1.820
   57    HE2  TYR   7           HE2      TYR   7  13.396   2.806   2.445
   58    HH   TYR   7           HH       TYR   7  11.599   2.507  -0.439
   59    H    CYS   8           HN       CYS   8  19.678   4.022   2.341
   60    HA   CYS   8           HA       CYS   8  18.243   3.836   4.919
   61    HB2  CYS   8           HB2      CYS   8  19.902   1.950   4.484
   62    HB3  CYS   8           HB1      CYS   8  21.157   3.172   4.679
   63    H    ARG   9           HN       ARG   9  18.085   5.812   5.578
   64    HA   ARG   9           HA       ARG   9  20.318   7.772   5.332
   65    HB2  ARG   9           HB2      ARG   9  17.380   7.878   4.732
   66    HB3  ARG   9           HB1      ARG   9  18.207   9.358   5.219
   67    HG2  ARG   9           HG2      ARG   9  18.430   9.381   2.887
   68    HG3  ARG   9           HG1      ARG   9  19.961   8.692   3.424
   69    HD2  ARG   9           HD2      ARG   9  18.153   6.515   3.165
   70    HD3  ARG   9           HD1      ARG   9  17.988   7.502   1.700
   71    HE   ARG   9           HE       ARG   9  20.651   6.586   2.729
   72   HH11  ARG   9          HH11      ARG   9  19.816   8.666   0.443
   73   HH12  ARG   9          HH12      ARG   9  20.286   7.730  -0.936
   74   HH21  ARG   9          HH21      ARG   9  20.660   4.785   0.853
   75   HH22  ARG   9          HH22      ARG   9  20.761   5.535  -0.705
   76    HA   PRO  10           HA       PRO  10  19.934   7.845   9.740
   77    HB2  PRO  10           HB2      PRO  10  20.753  10.452  10.190
   78    HB3  PRO  10           HB1      PRO  10  21.858   9.091   9.902
   79    HG2  PRO  10           HG2      PRO  10  20.784  11.089   7.941
   80    HG3  PRO  10           HG1      PRO  10  22.455  10.533   8.171
   81    HD2  PRO  10           HD2      PRO  10  21.015   9.509   6.203
   82    HD3  PRO  10           HD1      PRO  10  22.014   8.425   7.202
   83    H    ARG  11           HN       ARG  11  18.207   9.889   7.566
   84    HA   ARG  11           HA       ARG  11  16.429  11.091   9.549
   85    HB2  ARG  11           HB2      ARG  11  16.527  10.904   6.551
   86    HB3  ARG  11           HB1      ARG  11  15.256  11.776   7.411
   87    HG2  ARG  11           HG2      ARG  11  16.877  13.265   8.419
   88    HG3  ARG  11           HG1      ARG  11  18.216  12.322   7.761
   89    HD2  ARG  11           HD2      ARG  11  17.980  14.168   6.265
   90    HD3  ARG  11           HD1      ARG  11  17.164  12.824   5.440
   91    HE   ARG  11           HE       ARG  11  15.271  14.101   7.147
   92   HH11  ARG  11          HH11      ARG  11  16.463  16.592   6.115
   93   HH12  ARG  11          HH12      ARG  11  15.616  16.841   4.625
   94   HH21  ARG  11          HH21      ARG  11  14.451  13.583   4.433
   95   HH22  ARG  11          HH22      ARG  11  14.477  15.138   3.673
   96    H    PHE  12           HN       PHE  12  16.559   8.311   7.528
   97    HA   PHE  12           HA       PHE  12  14.390   6.894   8.867
   98    HB2  PHE  12           HB2      PHE  12  12.975   6.888   6.771
   99    HB3  PHE  12           HB1      PHE  12  13.123   8.510   7.474
  100    HD1  PHE  12           HD1      PHE  12  14.340   6.248   4.808
  101    HD2  PHE  12           HD2      PHE  12  14.495  10.178   6.496
  102    HE1  PHE  12           HE1      PHE  12  15.516   7.069   2.791
  103    HE2  PHE  12           HE2      PHE  12  15.662  11.021   4.489
  104    HZ   PHE  12           HZ       PHE  12  16.175   9.462   2.612
  105    H    CYS  13           HN       CYS  13  14.332   4.627   7.811
  106    HA   CYS  13           HA       CYS  13  16.012   4.229   5.514
  107    HB2  CYS  13           HB2      CYS  13  17.856   4.636   6.846
  108    HB3  CYS  13           HB1      CYS  13  17.075   4.038   8.300
  109    H    VAL  14           HN       VAL  14  15.423   2.281   4.626
  110    HA   VAL  14           HA       VAL  14  14.636  -0.025   6.247
  111    HB   VAL  14           HB       VAL  14  12.755   1.947   5.159
  112   HG11  VAL  14          HG11      VAL  14  12.316  -1.003   4.642
  113   HG12  VAL  14          HG12      VAL  14  12.375   0.285   3.437
  114   HG13  VAL  14          HG13      VAL  14  11.035   0.207   4.583
  115   HG21  VAL  14          HG21      VAL  14  11.854   1.594   7.190
  116   HG22  VAL  14          HG22      VAL  14  13.172   0.469   7.512
  117   HG23  VAL  14          HG23      VAL  14  11.648  -0.124   6.853
  118    H    CYS  15           HN       CYS  15  14.316  -1.907   4.927
  119    HA   CYS  15           HA       CYS  15  15.126  -1.624   2.057
  120    HB2  CYS  15           HB2      CYS  15  16.552  -2.765   4.288
  121    HB3  CYS  15           HB1      CYS  15  16.174  -4.043   3.133
  122    H    VAL  16           HN       VAL  16  13.770  -2.728   0.725
  123    HA   VAL  16           HA       VAL  16  12.564  -5.274   1.424
  124    HB   VAL  16           HB       VAL  16  10.259  -3.840   0.823
  125   HG11  VAL  16          HG11      VAL  16  11.207  -4.402   3.632
  126   HG12  VAL  16          HG12      VAL  16  10.758  -5.693   2.517
  127   HG13  VAL  16          HG13      VAL  16   9.564  -4.485   2.996
  128   HG21  VAL  16          HG21      VAL  16  10.172  -1.885   2.160
  129   HG22  VAL  16          HG22      VAL  16  11.721  -1.761   1.327
  130   HG23  VAL  16          HG23      VAL  16  11.664  -2.294   3.007
  131    H    GLY  17           HN       GLY  17  12.204  -6.381  -0.355
  132    HA2  GLY  17           HA2      GLY  17  11.387  -5.188  -2.846
  133    HA3  GLY  17           HA1      GLY  17  13.101  -5.615  -2.863
  134    H    ARG  18           HN       ARG  18   9.946  -6.801  -3.239
  135    HA   ARG  18           HA       ARG  18  11.031  -9.409  -3.812
  136    HB2  ARG  18           HB2      ARG  18  10.231 -10.577  -1.932
  137    HB3  ARG  18           HB1      ARG  18  10.831  -9.063  -1.254
  138    HG2  ARG  18           HG2      ARG  18   7.957  -9.836  -1.806
  139    HG3  ARG  18           HG1      ARG  18   8.693  -9.450  -0.255
  140    HD2  ARG  18           HD2      ARG  18   8.262  -7.495  -2.545
  141    HD3  ARG  18           HD1      ARG  18   7.367  -7.535  -1.018
  142    HE   ARG  18           HE       ARG  18  10.289  -7.364  -0.735
  143   HH11  ARG  18          HH11      ARG  18   9.607  -4.852  -2.076
  144   HH12  ARG  18          HH12      ARG  18   9.112  -3.823  -0.774
  145   HH21  ARG  18          HH21      ARG  18   8.628  -6.438   1.454
  146   HH22  ARG  18          HH22      ARG  18   8.555  -4.723   1.228
  Start of MODEL   12
    1    H1   ARG   1           HT1      ARG   1  11.698 -10.835  -9.937
    2    H2   ARG   1           HT2      ARG   1  10.673  -9.977 -10.986
    3    H3   ARG   1           HT3      ARG   1  10.016 -10.989  -9.792
    4    HA   ARG   1           HA       ARG   1  10.497  -9.531  -8.075
    5    HB2  ARG   1           HB2      ARG   1  12.283  -7.878  -8.286
    6    HB3  ARG   1           HB1      ARG   1  12.883  -9.444  -8.825
    7    HG2  ARG   1           HG2      ARG   1  12.072  -8.629 -11.191
    8    HG3  ARG   1           HG1      ARG   1  12.177  -7.027 -10.461
    9    HD2  ARG   1           HD2      ARG   1  14.315  -7.591 -11.546
   10    HD3  ARG   1           HD1      ARG   1  14.538  -7.541  -9.786
   11    HE   ARG   1           HE       ARG   1  13.766 -10.174 -10.364
   12   HH11  ARG   1          HH11      ARG   1  15.388  -9.552 -12.880
   13   HH12  ARG   1          HH12      ARG   1  16.959 -10.107 -12.406
   14   HH21  ARG   1          HH21      ARG   1  16.189 -10.227  -9.027
   15   HH22  ARG   1          HH22      ARG   1  17.412 -10.489 -10.224
   16    H    GLY   2           HN       GLY   2  10.918  -6.635  -8.897
   17    HA2  GLY   2           HA2      GLY   2   9.360  -5.529 -10.808
   18    HA3  GLY   2           HA1      GLY   2   8.128  -6.134  -9.699
   19    H    GLY   3           HN       GLY   3  10.048  -5.652  -7.396
   20    HA2  GLY   3           HA2      GLY   3  10.285  -2.713  -7.342
   21    HA3  GLY   3           HA1      GLY   3   9.137  -3.412  -6.200
   22    H    ARG   4           HN       ARG   4  12.248  -2.397  -6.531
   23    HA   ARG   4           HA       ARG   4  13.027  -4.114  -4.250
   24    HB2  ARG   4           HB2      ARG   4  14.828  -3.043  -6.448
   25    HB3  ARG   4           HB1      ARG   4  15.311  -4.114  -5.142
   26    HG2  ARG   4           HG2      ARG   4  15.004  -5.598  -6.933
   27    HG3  ARG   4           HG1      ARG   4  13.487  -5.719  -6.052
   28    HD2  ARG   4           HD2      ARG   4  13.563  -5.335  -8.719
   29    HD3  ARG   4           HD1      ARG   4  12.280  -4.642  -7.720
   30    HE   ARG   4           HE       ARG   4  13.495  -2.507  -7.739
   31   HH11  ARG   4          HH11      ARG   4  16.156  -4.037  -8.376
   32   HH12  ARG   4          HH12      ARG   4  16.473  -3.419  -9.963
   33   HH21  ARG   4          HH21      ARG   4  13.283  -2.125 -10.385
   34   HH22  ARG   4          HH22      ARG   4  14.846  -2.337 -11.100
   35    H    LEU   5           HN       LEU   5  12.783  -2.649  -2.623
   36    HA   LEU   5           HA       LEU   5  13.897   0.084  -3.010
   37    HB2  LEU   5           HB2      LEU   5  11.736  -0.986  -1.161
   38    HB3  LEU   5           HB1      LEU   5  12.226   0.701  -1.281
   39    HG   LEU   5           HG       LEU   5  10.294   0.538  -2.652
   40   HD11  LEU   5          HD11      LEU   5  11.100   1.329  -4.664
   41   HD12  LEU   5          HD12      LEU   5  12.303   0.048  -4.805
   42   HD13  LEU   5          HD13      LEU   5  12.583   1.403  -3.712
   43   HD21  LEU   5          HD21      LEU   5  10.892  -2.152  -2.804
   44   HD22  LEU   5          HD22      LEU   5  11.192  -1.607  -4.453
   45   HD23  LEU   5          HD23      LEU   5   9.614  -1.349  -3.714
   46    H    CYS   6           HN       CYS   6  15.842   0.124  -2.128
   47    HA   CYS   6           HA       CYS   6  16.202  -0.752   0.691
   48    HB2  CYS   6           HB2      CYS   6  17.276  -2.042  -1.721
   49    HB3  CYS   6           HB1      CYS   6  18.534  -1.616  -0.560
   50    H    TYR   7           HN       TYR   7  17.012   0.910   1.704
   51    HA   TYR   7           HA       TYR   7  19.352   2.370   0.809
   52    HB2  TYR   7           HB2      TYR   7  17.728   4.513   0.923
   53    HB3  TYR   7           HB1      TYR   7  17.952   3.630  -0.581
   54    HD1  TYR   7           HD1      TYR   7  15.987   3.626   2.525
   55    HD2  TYR   7           HD2      TYR   7  16.256   2.770  -1.635
   56    HE1  TYR   7           HE1      TYR   7  13.616   2.999   2.517
   57    HE2  TYR   7           HE2      TYR   7  13.893   2.138  -1.708
   58    HH   TYR   7           HH       TYR   7  12.102   1.432   0.995
   59    H    CYS   8           HN       CYS   8  19.864   3.934   2.414
   60    HA   CYS   8           HA       CYS   8  18.371   3.773   4.971
   61    HB2  CYS   8           HB2      CYS   8  20.150   1.996   4.633
   62    HB3  CYS   8           HB1      CYS   8  21.325   3.305   4.765
   63    H    ARG   9           HN       ARG   9  18.049   5.757   5.538
   64    HA   ARG   9           HA       ARG   9  20.145   7.863   5.274
   65    HB2  ARG   9           HB2      ARG   9  17.210   7.768   4.614
   66    HB3  ARG   9           HB1      ARG   9  17.970   9.309   5.010
   67    HG2  ARG   9           HG2      ARG   9  18.215   9.190   2.682
   68    HG3  ARG   9           HG1      ARG   9  19.769   8.608   3.276
   69    HD2  ARG   9           HD2      ARG   9  18.055   6.342   3.145
   70    HD3  ARG   9           HD1      ARG   9  17.879   7.220   1.614
   71    HE   ARG   9           HE       ARG   9  20.600   6.664   2.718
   72   HH11  ARG   9          HH11      ARG   9  21.324   4.769   1.387
   73   HH12  ARG   9          HH12      ARG   9  21.052   4.931  -0.315
   74   HH21  ARG   9          HH21      ARG   9  18.912   7.639   0.012
   75   HH22  ARG   9          HH22      ARG   9  19.687   6.554  -1.092
   76    HA   PRO  10           HA       PRO  10  19.613   8.086   9.662
   77    HB2  PRO  10           HB2      PRO  10  20.225  10.764  10.023
   78    HB3  PRO  10           HB1      PRO  10  21.437   9.479   9.827
   79    HG2  PRO  10           HG2      PRO  10  20.281  11.308   7.749
   80    HG3  PRO  10           HG1      PRO  10  21.981  10.892   8.054
   81    HD2  PRO  10           HD2      PRO  10  20.689   9.681   6.090
   82    HD3  PRO  10           HD1      PRO  10  21.730   8.716   7.166
   83    H    ARG  11           HN       ARG  11  17.855   9.963   7.356
   84    HA   ARG  11           HA       ARG  11  15.910  11.091   9.202
   85    HB2  ARG  11           HB2      ARG  11  15.861  10.700   6.219
   86    HB3  ARG  11           HB1      ARG  11  14.853  11.821   7.128
   87    HG2  ARG  11           HG2      ARG  11  17.881  11.917   6.952
   88    HG3  ARG  11           HG1      ARG  11  16.776  12.971   6.071
   89    HD2  ARG  11           HD2      ARG  11  16.398  14.281   7.897
   90    HD3  ARG  11           HD1      ARG  11  16.294  12.885   8.986
   91    HE   ARG  11           HE       ARG  11  18.993  13.321   7.971
   92   HH11  ARG  11          HH11      ARG  11  17.478  12.632  10.749
   93   HH12  ARG  11          HH12      ARG  11  18.271  13.806  11.747
   94   HH21  ARG  11          HH21      ARG  11  19.672  15.518   9.076
   95   HH22  ARG  11          HH22      ARG  11  19.514  15.439  10.799
   96    H    PHE  12           HN       PHE  12  16.313   8.233   7.333
   97    HA   PHE  12           HA       PHE  12  14.234   6.720   8.700
   98    HB2  PHE  12           HB2      PHE  12  12.855   6.493   6.596
   99    HB3  PHE  12           HB1      PHE  12  12.866   8.158   7.207
  100    HD1  PHE  12           HD1      PHE  12  14.071   9.878   6.129
  101    HD2  PHE  12           HD2      PHE  12  14.342   5.849   4.710
  102    HE1  PHE  12           HE1      PHE  12  15.204  10.695   4.094
  103    HE2  PHE  12           HE2      PHE  12  15.465   6.649   2.657
  104    HZ   PHE  12           HZ       PHE  12  15.900   9.077   2.330
  105    H    CYS  13           HN       CYS  13  14.378   4.402   7.765
  106    HA   CYS  13           HA       CYS  13  16.129   4.033   5.513
  107    HB2  CYS  13           HB2      CYS  13  17.919   4.643   6.836
  108    HB3  CYS  13           HB1      CYS  13  17.160   4.076   8.315
  109    H    VAL  14           HN       VAL  14  15.576   2.066   4.678
  110    HA   VAL  14           HA       VAL  14  15.063  -0.273   6.363
  111    HB   VAL  14           HB       VAL  14  12.963   1.490   5.229
  112   HG11  VAL  14          HG11      VAL  14  11.378  -0.485   5.103
  113   HG12  VAL  14          HG12      VAL  14  12.795  -1.533   5.152
  114   HG13  VAL  14          HG13      VAL  14  12.571  -0.416   3.806
  115   HG21  VAL  14          HG21      VAL  14  12.827   1.478   7.517
  116   HG22  VAL  14          HG22      VAL  14  13.491  -0.151   7.651
  117   HG23  VAL  14          HG23      VAL  14  11.802   0.078   7.200
  118    H    CYS  15           HN       CYS  15  14.840  -2.193   5.070
  119    HA   CYS  15           HA       CYS  15  15.569  -1.848   2.180
  120    HB2  CYS  15           HB2      CYS  15  17.048  -2.947   4.319
  121    HB3  CYS  15           HB1      CYS  15  16.495  -4.325   3.368
  122    H    VAL  16           HN       VAL  16  14.192  -2.882   0.814
  123    HA   VAL  16           HA       VAL  16  12.912  -5.409   1.439
  124    HB   VAL  16           HB       VAL  16  10.638  -3.911   0.911
  125   HG11  VAL  16          HG11      VAL  16  11.864  -5.256   3.246
  126   HG12  VAL  16          HG12      VAL  16  10.283  -5.498   2.501
  127   HG13  VAL  16          HG13      VAL  16  10.539  -4.149   3.608
  128   HG21  VAL  16          HG21      VAL  16  12.094  -2.424   3.102
  129   HG22  VAL  16          HG22      VAL  16  10.614  -1.968   2.259
  130   HG23  VAL  16          HG23      VAL  16  12.165  -1.876   1.427
  131    H    GLY  17           HN       GLY  17  12.426  -6.435  -0.369
  132    HA2  GLY  17           HA2      GLY  17  11.688  -5.084  -2.808
  133    HA3  GLY  17           HA1      GLY  17  13.349  -5.683  -2.860
  134    H    ARG  18           HN       ARG  18  10.078  -6.522  -3.180
  135    HA   ARG  18           HA       ARG  18  10.836  -9.186  -3.934
  136    HB2  ARG  18           HB2      ARG  18   9.986 -10.370  -2.065
  137    HB3  ARG  18           HB1      ARG  18  10.866  -9.010  -1.363
  138    HG2  ARG  18           HG2      ARG  18   7.873  -9.063  -1.856
  139    HG3  ARG  18           HG1      ARG  18   8.643  -9.373  -0.302
  140    HD2  ARG  18           HD2      ARG  18   8.326  -7.115  -0.025
  141    HD3  ARG  18           HD1      ARG  18   9.822  -7.006  -0.974
  142    HE   ARG  18           HE       ARG  18   7.471  -7.282  -2.660
  143   HH11  ARG  18          HH11      ARG  18   8.415  -5.639  -4.282
  144   HH12  ARG  18          HH12      ARG  18   8.398  -4.014  -3.684
  145   HH21  ARG  18          HH21      ARG  18   7.873  -4.950  -0.386
  146   HH22  ARG  18          HH22      ARG  18   8.092  -3.623  -1.479
  Start of MODEL   13
    1    H1   ARG   1           HT1      ARG   1  11.402  -7.389 -13.125
    2    H2   ARG   1           HT2      ARG   1  12.994  -7.412 -12.531
    3    H3   ARG   1           HT3      ARG   1  11.986  -6.081 -12.216
    4    HA   ARG   1           HA       ARG   1  11.459  -8.837 -11.223
    5    HB2  ARG   1           HB2      ARG   1  13.529  -7.162 -10.542
    6    HB3  ARG   1           HB1      ARG   1  12.283  -6.665  -9.397
    7    HG2  ARG   1           HG2      ARG   1  12.104  -8.832  -8.469
    8    HG3  ARG   1           HG1      ARG   1  12.922  -9.580  -9.841
    9    HD2  ARG   1           HD2      ARG   1  14.556  -7.531  -8.494
   10    HD3  ARG   1           HD1      ARG   1  14.162  -8.924  -7.466
   11    HE   ARG   1           HE       ARG   1  14.854 -10.212  -9.721
   12   HH11  ARG   1          HH11      ARG   1  16.573  -9.344 -11.297
   13   HH12  ARG   1          HH12      ARG   1  18.035  -8.856 -10.506
   14   HH21  ARG   1          HH21      ARG   1  16.612  -8.774  -7.345
   15   HH22  ARG   1          HH22      ARG   1  18.057  -8.534  -8.269
   16    H    GLY   2           HN       GLY   2  10.491  -7.696  -8.756
   17    HA2  GLY   2           HA2      GLY   2   7.922  -6.549  -9.746
   18    HA3  GLY   2           HA1      GLY   2   8.120  -7.414  -8.221
   19    H    GLY   3           HN       GLY   3  10.355  -6.145  -7.161
   20    HA2  GLY   3           HA2      GLY   3  10.317  -3.292  -7.273
   21    HA3  GLY   3           HA1      GLY   3   9.257  -3.818  -5.966
   22    H    ARG   4           HN       ARG   4  12.194  -2.659  -6.397
   23    HA   ARG   4           HA       ARG   4  13.231  -4.318  -4.181
   24    HB2  ARG   4           HB2      ARG   4  14.831  -3.084  -6.444
   25    HB3  ARG   4           HB1      ARG   4  15.463  -4.113  -5.166
   26    HG2  ARG   4           HG2      ARG   4  15.211  -5.624  -6.939
   27    HG3  ARG   4           HG1      ARG   4  13.730  -5.861  -6.016
   28    HD2  ARG   4           HD2      ARG   4  13.701  -5.473  -8.681
   29    HD3  ARG   4           HD1      ARG   4  12.402  -4.871  -7.646
   30    HE   ARG   4           HE       ARG   4  13.423  -2.653  -7.730
   31   HH11  ARG   4          HH11      ARG   4  13.564  -1.661  -9.968
   32   HH12  ARG   4          HH12      ARG   4  15.025  -2.040 -10.818
   33   HH21  ARG   4          HH21      ARG   4  15.908  -4.630  -8.691
   34   HH22  ARG   4          HH22      ARG   4  16.349  -3.721 -10.096
   35    H    LEU   5           HN       LEU   5  12.888  -2.875  -2.545
   36    HA   LEU   5           HA       LEU   5  13.847  -0.080  -2.930
   37    HB2  LEU   5           HB2      LEU   5  11.745  -1.248  -1.070
   38    HB3  LEU   5           HB1      LEU   5  12.152   0.459  -1.204
   39    HG   LEU   5           HG       LEU   5  10.218   0.188  -2.553
   40   HD11  LEU   5          HD11      LEU   5  12.203  -0.194  -4.739
   41   HD12  LEU   5          HD12      LEU   5  12.474   1.151  -3.631
   42   HD13  LEU   5          HD13      LEU   5  10.969   1.051  -4.546
   43   HD21  LEU   5          HD21      LEU   5  10.973  -2.467  -2.723
   44   HD22  LEU   5          HD22      LEU   5  11.196  -1.894  -4.375
   45   HD23  LEU   5          HD23      LEU   5   9.625  -1.735  -3.593
   46    H    CYS   6           HN       CYS   6  15.811   0.000  -2.059
   47    HA   CYS   6           HA       CYS   6  16.179  -0.862   0.763
   48    HB2  CYS   6           HB2      CYS   6  17.189  -2.223  -1.594
   49    HB3  CYS   6           HB1      CYS   6  18.531  -1.644  -0.609
   50    H    TYR   7           HN       TYR   7  16.958   0.812   1.781
   51    HA   TYR   7           HA       TYR   7  19.279   2.303   0.884
   52    HB2  TYR   7           HB2      TYR   7  17.615   4.421   1.026
   53    HB3  TYR   7           HB1      TYR   7  17.872   3.565  -0.489
   54    HD1  TYR   7           HD1      TYR   7  16.199   2.699  -1.576
   55    HD2  TYR   7           HD2      TYR   7  15.878   3.469   2.597
   56    HE1  TYR   7           HE1      TYR   7  13.848   2.026  -1.681
   57    HE2  TYR   7           HE2      TYR   7  13.516   2.811   2.554
   58    HH   TYR   7           HH       TYR   7  11.660   2.608   0.947
   59    H    CYS   8           HN       CYS   8  19.801   3.841   2.496
   60    HA   CYS   8           HA       CYS   8  18.288   3.768   5.032
   61    HB2  CYS   8           HB2      CYS   8  19.906   1.828   4.732
   62    HB3  CYS   8           HB1      CYS   8  21.188   3.023   4.916
   63    H    ARG   9           HN       ARG   9  18.142   5.775   5.580
   64    HA   ARG   9           HA       ARG   9  20.441   7.662   5.398
   65    HB2  ARG   9           HB2      ARG   9  17.559   7.826   4.573
   66    HB3  ARG   9           HB1      ARG   9  18.396   9.300   5.059
   67    HG2  ARG   9           HG2      ARG   9  18.808   9.224   2.761
   68    HG3  ARG   9           HG1      ARG   9  20.258   8.487   3.437
   69    HD2  ARG   9           HD2      ARG   9  18.373   6.387   3.118
   70    HD3  ARG   9           HD1      ARG   9  18.365   7.322   1.610
   71    HE   ARG   9           HE       ARG   9  20.908   6.363   2.873
   72   HH11  ARG   9          HH11      ARG   9  22.520   6.840   1.191
   73   HH12  ARG   9          HH12      ARG   9  22.082   6.409  -0.428
   74   HH21  ARG   9          HH21      ARG   9  18.746   5.858   0.337
   75   HH22  ARG   9          HH22      ARG   9  19.948   5.852  -0.911
   76    HA   PRO  10           HA       PRO  10  19.739   7.967   9.755
   77    HB2  PRO  10           HB2      PRO  10  20.584  10.577  10.137
   78    HB3  PRO  10           HB1      PRO  10  21.676   9.182   9.995
   79    HG2  PRO  10           HG2      PRO  10  20.791  11.101   7.867
   80    HG3  PRO  10           HG1      PRO  10  22.429  10.524   8.246
   81    HD2  PRO  10           HD2      PRO  10  21.109   9.434   6.229
   82    HD3  PRO  10           HD1      PRO  10  22.011   8.380   7.346
   83    H    ARG  11           HN       ARG  11  18.241   9.940   7.361
   84    HA   ARG  11           HA       ARG  11  16.341  11.279   9.119
   85    HB2  ARG  11           HB2      ARG  11  16.556  10.875   6.143
   86    HB3  ARG  11           HB1      ARG  11  15.374  11.935   6.910
   87    HG2  ARG  11           HG2      ARG  11  18.374  12.194   7.264
   88    HG3  ARG  11           HG1      ARG  11  17.434  13.131   6.102
   89    HD2  ARG  11           HD2      ARG  11  16.390  13.147   8.883
   90    HD3  ARG  11           HD1      ARG  11  17.923  14.002   8.624
   91    HE   ARG  11           HE       ARG  11  15.538  14.506   6.882
   92   HH11  ARG  11          HH11      ARG  11  15.432  16.344   9.084
   93   HH12  ARG  11          HH12      ARG  11  16.458  17.657   8.607
   94   HH21  ARG  11          HH21      ARG  11  18.068  15.842   6.129
   95   HH22  ARG  11          HH22      ARG  11  17.949  17.373   6.932
   96    H    PHE  12           HN       PHE  12  16.558   8.381   7.277
   97    HA   PHE  12           HA       PHE  12  14.288   7.072   8.554
   98    HB2  PHE  12           HB2      PHE  12  13.000   6.962   6.381
   99    HB3  PHE  12           HB1      PHE  12  13.131   8.620   6.996
  100    HD1  PHE  12           HD1      PHE  12  14.568  10.216   5.998
  101    HD2  PHE  12           HD2      PHE  12  14.486   6.186   4.554
  102    HE1  PHE  12           HE1      PHE  12  15.875  10.920   4.025
  103    HE2  PHE  12           HE2      PHE  12  15.780   6.874   2.560
  104    HZ   PHE  12           HZ       PHE  12  16.480   9.246   2.279
  105    H    CYS  13           HN       CYS  13  14.258   4.745   7.630
  106    HA   CYS  13           HA       CYS  13  16.052   4.193   5.456
  107    HB2  CYS  13           HB2      CYS  13  17.845   4.654   6.835
  108    HB3  CYS  13           HB1      CYS  13  16.988   4.177   8.292
  109    H    VAL  14           HN       VAL  14  15.411   2.241   4.635
  110    HA   VAL  14           HA       VAL  14  14.605  -0.001   6.333
  111    HB   VAL  14           HB       VAL  14  12.726   1.912   5.078
  112   HG11  VAL  14          HG11      VAL  14  12.237   0.058   3.628
  113   HG12  VAL  14          HG12      VAL  14  10.985   0.075   4.870
  114   HG13  VAL  14          HG13      VAL  14  12.311  -1.084   4.970
  115   HG21  VAL  14          HG21      VAL  14  12.481   1.912   7.361
  116   HG22  VAL  14          HG22      VAL  14  12.965   0.223   7.515
  117   HG23  VAL  14          HG23      VAL  14  11.335   0.628   6.976
  118    H    CYS  15           HN       CYS  15  14.278  -1.927   5.069
  119    HA   CYS  15           HA       CYS  15  15.075  -1.728   2.186
  120    HB2  CYS  15           HB2      CYS  15  16.465  -2.870   4.455
  121    HB3  CYS  15           HB1      CYS  15  16.114  -4.121   3.264
  122    H    VAL  16           HN       VAL  16  13.488  -2.623   1.003
  123    HA   VAL  16           HA       VAL  16  12.310  -5.228   1.714
  124    HB   VAL  16           HB       VAL  16  10.695  -2.667   1.440
  125   HG11  VAL  16          HG11      VAL  16   8.845  -3.915   1.080
  126   HG12  VAL  16          HG12      VAL  16   9.288  -5.070   2.338
  127   HG13  VAL  16          HG13      VAL  16   9.939  -5.247   0.710
  128   HG21  VAL  16          HG21      VAL  16  11.326  -4.493   3.767
  129   HG22  VAL  16          HG22      VAL  16   9.940  -3.402   3.786
  130   HG23  VAL  16          HG23      VAL  16  11.573  -2.751   3.652
  131    H    GLY  17           HN       GLY  17  12.356  -6.349  -0.131
  132    HA2  GLY  17           HA2      GLY  17  11.296  -5.240  -2.574
  133    HA3  GLY  17           HA1      GLY  17  13.052  -5.415  -2.623
  134    H    ARG  18           HN       ARG  18  10.102  -7.027  -3.002
  135    HA   ARG  18           HA       ARG  18  11.565  -9.454  -3.584
  136    HB2  ARG  18           HB2      ARG  18  10.605 -10.779  -1.801
  137    HB3  ARG  18           HB1      ARG  18  11.347  -9.329  -1.105
  138    HG2  ARG  18           HG2      ARG  18   8.432  -9.282  -1.864
  139    HG3  ARG  18           HG1      ARG  18   8.926 -10.037  -0.351
  140    HD2  ARG  18           HD2      ARG  18   9.323  -7.157  -1.203
  141    HD3  ARG  18           HD1      ARG  18   8.500  -7.772   0.243
  142    HE   ARG  18           HE       ARG  18  11.433  -7.719  -0.170
  143   HH11  ARG  18          HH11      ARG  18   9.208  -7.051   2.106
  144   HH12  ARG  18          HH12      ARG  18   9.864  -8.048   3.362
  145   HH21  ARG  18          HH21      ARG  18  12.072  -9.699   1.261
  146   HH22  ARG  18          HH22      ARG  18  11.486  -9.547   2.883
  Start of MODEL   14
    1    H1   ARG   1           HT1      ARG   1  12.910  -6.010 -10.379
    2    H2   ARG   1           HT2      ARG   1  12.584  -6.582 -11.945
    3    H3   ARG   1           HT3      ARG   1  13.787  -7.322 -11.001
    4    HA   ARG   1           HA       ARG   1  11.641  -8.591 -11.129
    5    HB2  ARG   1           HB2      ARG   1  13.551  -8.210  -9.191
    6    HB3  ARG   1           HB1      ARG   1  12.068  -7.885  -8.292
    7    HG2  ARG   1           HG2      ARG   1  11.178 -10.033  -8.759
    8    HG3  ARG   1           HG1      ARG   1  12.343 -10.322 -10.052
    9    HD2  ARG   1           HD2      ARG   1  13.405  -9.825  -7.290
   10    HD3  ARG   1           HD1      ARG   1  12.716 -11.419  -7.662
   11    HE   ARG   1           HE       ARG   1  14.815 -10.183  -9.405
   12   HH11  ARG   1          HH11      ARG   1  16.194 -11.719  -7.441
   13   HH12  ARG   1          HH12      ARG   1  16.157 -13.345  -8.036
   14   HH21  ARG   1          HH21      ARG   1  13.570 -12.750 -10.267
   15   HH22  ARG   1          HH22      ARG   1  14.670 -13.928  -9.637
   16    H    GLY   2           HN       GLY   2  10.026  -8.401  -8.731
   17    HA2  GLY   2           HA2      GLY   2   7.896  -6.742  -9.678
   18    HA3  GLY   2           HA1      GLY   2   7.967  -7.485  -8.080
   19    H    GLY   3           HN       GLY   3  10.497  -6.185  -7.356
   20    HA2  GLY   3           HA2      GLY   3  10.562  -3.400  -7.585
   21    HA3  GLY   3           HA1      GLY   3   9.422  -3.726  -6.281
   22    H    ARG   4           HN       ARG   4  12.354  -2.702  -6.567
   23    HA   ARG   4           HA       ARG   4  13.271  -4.329  -4.274
   24    HB2  ARG   4           HB2      ARG   4  14.978  -3.143  -6.487
   25    HB3  ARG   4           HB1      ARG   4  15.553  -4.135  -5.155
   26    HG2  ARG   4           HG2      ARG   4  15.390  -5.688  -6.902
   27    HG3  ARG   4           HG1      ARG   4  13.878  -5.917  -6.031
   28    HD2  ARG   4           HD2      ARG   4  13.956  -5.594  -8.708
   29    HD3  ARG   4           HD1      ARG   4  12.601  -5.001  -7.740
   30    HE   ARG   4           HE       ARG   4  13.626  -2.762  -7.792
   31   HH11  ARG   4          HH11      ARG   4  13.411  -2.292 -10.367
   32   HH12  ARG   4          HH12      ARG   4  14.961  -2.446 -11.123
   33   HH21  ARG   4          HH21      ARG   4  16.360  -4.225  -8.495
   34   HH22  ARG   4          HH22      ARG   4  16.631  -3.542 -10.064
   35    H    LEU   5           HN       LEU   5  12.869  -2.859  -2.680
   36    HA   LEU   5           HA       LEU   5  13.830  -0.066  -3.073
   37    HB2  LEU   5           HB2      LEU   5  11.685  -1.221  -1.254
   38    HB3  LEU   5           HB1      LEU   5  12.080   0.488  -1.408
   39    HG   LEU   5           HG       LEU   5  10.187   0.174  -2.808
   40   HD11  LEU   5          HD11      LEU   5  12.240  -0.235  -4.927
   41   HD12  LEU   5          HD12      LEU   5  12.463   1.137  -3.842
   42   HD13  LEU   5          HD13      LEU   5  10.988   0.999  -4.798
   43   HD21  LEU   5          HD21      LEU   5   9.646  -1.772  -3.840
   44   HD22  LEU   5          HD22      LEU   5  10.956  -2.476  -2.894
   45   HD23  LEU   5          HD23      LEU   5  11.250  -1.943  -4.549
   46    H    CYS   6           HN       CYS   6  15.758   0.060  -2.131
   47    HA   CYS   6           HA       CYS   6  16.059  -0.763   0.704
   48    HB2  CYS   6           HB2      CYS   6  16.716  -2.608  -1.040
   49    HB3  CYS   6           HB1      CYS   6  18.139  -1.602  -1.308
   50    H    TYR   7           HN       TYR   7  16.876   0.898   1.709
   51    HA   TYR   7           HA       TYR   7  19.230   2.334   0.803
   52    HB2  TYR   7           HB2      TYR   7  17.605   4.485   0.921
   53    HB3  TYR   7           HB1      TYR   7  17.847   3.608  -0.584
   54    HD1  TYR   7           HD1      TYR   7  16.163   2.757  -1.660
   55    HD2  TYR   7           HD2      TYR   7  15.854   3.580   2.504
   56    HE1  TYR   7           HE1      TYR   7  13.801   2.122  -1.760
   57    HE2  TYR   7           HE2      TYR   7  13.479   2.961   2.467
   58    HH   TYR   7           HH       TYR   7  11.586   2.929   0.488
   59    H    CYS   8           HN       CYS   8  19.775   3.878   2.395
   60    HA   CYS   8           HA       CYS   8  18.294   3.766   4.961
   61    HB2  CYS   8           HB2      CYS   8  20.027   1.934   4.585
   62    HB3  CYS   8           HB1      CYS   8  21.232   3.210   4.755
   63    H    ARG   9           HN       ARG   9  18.059   5.760   5.551
   64    HA   ARG   9           HA       ARG   9  20.205   7.800   5.186
   65    HB2  ARG   9           HB2      ARG   9  17.235   7.774   4.741
   66    HB3  ARG   9           HB1      ARG   9  18.038   9.296   5.121
   67    HG2  ARG   9           HG2      ARG   9  18.114   9.224   2.775
   68    HG3  ARG   9           HG1      ARG   9  19.703   8.631   3.252
   69    HD2  ARG   9           HD2      ARG   9  18.003   6.360   3.195
   70    HD3  ARG   9           HD1      ARG   9  17.687   7.271   1.706
   71    HE   ARG   9           HE       ARG   9  20.443   6.489   2.589
   72   HH11  ARG   9          HH11      ARG   9  20.057   8.641   0.473
   73   HH12  ARG   9          HH12      ARG   9  20.220   7.717  -0.983
   74   HH21  ARG   9          HH21      ARG   9  19.791   4.659   0.592
   75   HH22  ARG   9          HH22      ARG   9  20.071   5.464  -0.915
   76    HA   PRO  10           HA       PRO  10  20.000   7.999   9.605
   77    HB2  PRO  10           HB2      PRO  10  20.803  10.627   9.933
   78    HB3  PRO  10           HB1      PRO  10  21.915   9.273   9.637
   79    HG2  PRO  10           HG2      PRO  10  20.733  11.201   7.672
   80    HG3  PRO  10           HG1      PRO  10  22.417  10.664   7.840
   81    HD2  PRO  10           HD2      PRO  10  20.881   9.583   5.970
   82    HD3  PRO  10           HD1      PRO  10  21.958   8.539   6.929
   83    H    ARG  11           HN       ARG  11  18.121   9.858   7.426
   84    HA   ARG  11           HA       ARG  11  16.418  11.115   9.457
   85    HB2  ARG  11           HB2      ARG  11  16.316  10.916   6.455
   86    HB3  ARG  11           HB1      ARG  11  15.237  11.919   7.423
   87    HG2  ARG  11           HG2      ARG  11  18.259  12.161   7.311
   88    HG3  ARG  11           HG1      ARG  11  17.112  13.253   6.537
   89    HD2  ARG  11           HD2      ARG  11  16.469  12.934   9.358
   90    HD3  ARG  11           HD1      ARG  11  18.133  13.508   9.142
   91    HE   ARG  11           HE       ARG  11  15.726  14.986   8.451
   92   HH11  ARG  11          HH11      ARG  11  19.009  15.233   8.842
   93   HH12  ARG  11          HH12      ARG  11  19.273  16.387   7.579
   94   HH21  ARG  11          HH21      ARG  11  16.060  16.123   6.301
   95   HH22  ARG  11          HH22      ARG  11  17.605  16.892   6.141
   96    H    PHE  12           HN       PHE  12  16.548   8.319   7.481
   97    HA   PHE  12           HA       PHE  12  14.417   6.897   8.863
   98    HB2  PHE  12           HB2      PHE  12  12.969   6.829   6.794
   99    HB3  PHE  12           HB1      PHE  12  13.101   8.467   7.461
  100    HD1  PHE  12           HD1      PHE  12  14.430  10.136   6.429
  101    HD2  PHE  12           HD2      PHE  12  14.310   6.170   4.824
  102    HE1  PHE  12           HE1      PHE  12  15.558  10.953   4.390
  103    HE2  PHE  12           HE2      PHE  12  15.423   6.971   2.764
  104    HZ   PHE  12           HZ       PHE  12  16.050   9.368   2.530
  105    H    CYS  13           HN       CYS  13  14.392   4.608   7.851
  106    HA   CYS  13           HA       CYS  13  16.066   4.206   5.543
  107    HB2  CYS  13           HB2      CYS  13  17.914   4.657   6.848
  108    HB3  CYS  13           HB1      CYS  13  17.142   4.103   8.325
  109    H    VAL  14           HN       VAL  14  15.425   2.266   4.673
  110    HA   VAL  14           HA       VAL  14  14.753  -0.059   6.317
  111    HB   VAL  14           HB       VAL  14  12.773   1.873   5.253
  112   HG11  VAL  14          HG11      VAL  14  12.208   0.073   3.770
  113   HG12  VAL  14          HG12      VAL  14  11.052   0.000   5.100
  114   HG13  VAL  14          HG13      VAL  14  12.409  -1.125   5.050
  115   HG21  VAL  14          HG21      VAL  14  13.219   0.142   7.621
  116   HG22  VAL  14          HG22      VAL  14  11.537   0.451   7.188
  117   HG23  VAL  14          HG23      VAL  14  12.621   1.798   7.533
  118    H    CYS  15           HN       CYS  15  14.343  -1.937   4.988
  119    HA   CYS  15           HA       CYS  15  14.978  -1.603   2.079
  120    HB2  CYS  15           HB2      CYS  15  16.930  -2.297   3.501
  121    HB3  CYS  15           HB1      CYS  15  16.031  -3.752   3.934
  122    H    VAL  16           HN       VAL  16  13.566  -2.640   0.815
  123    HA   VAL  16           HA       VAL  16  12.246  -5.149   1.572
  124    HB   VAL  16           HB       VAL  16  10.781  -2.509   1.231
  125   HG11  VAL  16          HG11      VAL  16   9.887  -5.335   0.940
  126   HG12  VAL  16          HG12      VAL  16   9.275  -3.876   0.162
  127   HG13  VAL  16          HG13      VAL  16   8.816  -4.249   1.824
  128   HG21  VAL  16          HG21      VAL  16  11.449  -2.715   3.493
  129   HG22  VAL  16          HG22      VAL  16  11.154  -4.453   3.510
  130   HG23  VAL  16          HG23      VAL  16   9.796  -3.328   3.479
  131    H    GLY  17           HN       GLY  17  12.170  -6.332  -0.233
  132    HA2  GLY  17           HA2      GLY  17  11.343  -5.203  -2.755
  133    HA3  GLY  17           HA1      GLY  17  13.071  -5.573  -2.721
  134    H    ARG  18           HN       ARG  18   9.967  -6.862  -3.158
  135    HA   ARG  18           HA       ARG  18  11.166  -9.453  -3.612
  136    HB2  ARG  18           HB2      ARG  18  10.025 -10.605  -1.825
  137    HB3  ARG  18           HB1      ARG  18  10.877  -9.210  -1.144
  138    HG2  ARG  18           HG2      ARG  18   8.005  -8.929  -2.016
  139    HG3  ARG  18           HG1      ARG  18   8.382  -9.646  -0.453
  140    HD2  ARG  18           HD2      ARG  18   9.074  -6.862  -1.428
  141    HD3  ARG  18           HD1      ARG  18   8.132  -7.321   0.004
  142    HE   ARG  18           HE       ARG  18  11.075  -7.598  -0.275
  143   HH11  ARG  18          HH11      ARG  18   8.673  -6.644   1.783
  144   HH12  ARG  18          HH12      ARG  18   9.238  -7.517   3.168
  145   HH21  ARG  18          HH21      ARG  18  11.599  -9.333   1.392
  146   HH22  ARG  18          HH22      ARG  18  10.895  -9.040   2.947
  Start of MODEL   15
    1    H1   ARG   1           HT1      ARG   1  13.133  -9.625 -10.561
    2    H2   ARG   1           HT2      ARG   1  12.494  -8.145 -11.097
    3    H3   ARG   1           HT3      ARG   1  11.746  -9.604 -11.537
    4    HA   ARG   1           HA       ARG   1  11.057 -10.017  -9.285
    5    HB2  ARG   1           HB2      ARG   1  13.347  -8.595  -8.769
    6    HB3  ARG   1           HB1      ARG   1  12.103  -7.423  -8.330
    7    HG2  ARG   1           HG2      ARG   1  11.170  -8.843  -6.694
    8    HG3  ARG   1           HG1      ARG   1  11.952 -10.275  -7.363
    9    HD2  ARG   1           HD2      ARG   1  13.818  -8.137  -6.515
   10    HD3  ARG   1           HD1      ARG   1  12.920  -8.921  -5.200
   11    HE   ARG   1           HE       ARG   1  13.655 -11.108  -6.518
   12   HH11  ARG   1          HH11      ARG   1  15.682 -11.268  -7.958
   13   HH12  ARG   1          HH12      ARG   1  17.116 -10.690  -7.178
   14   HH21  ARG   1          HH21      ARG   1  15.398  -9.033  -4.663
   15   HH22  ARG   1          HH22      ARG   1  16.955  -9.424  -5.312
   16    H    GLY   2           HN       GLY   2   9.994  -7.746  -7.865
   17    HA2  GLY   2           HA2      GLY   2   8.346  -6.431  -9.987
   18    HA3  GLY   2           HA1      GLY   2   7.604  -7.094  -8.532
   19    H    GLY   3           HN       GLY   3  10.603  -5.848  -7.700
   20    HA2  GLY   3           HA2      GLY   3  10.459  -3.096  -7.605
   21    HA3  GLY   3           HA1      GLY   3   9.384  -3.596  -6.300
   22    H    ARG   4           HN       ARG   4  12.286  -2.418  -6.648
   23    HA   ARG   4           HA       ARG   4  13.327  -4.111  -4.460
   24    HB2  ARG   4           HB2      ARG   4  14.916  -2.824  -6.702
   25    HB3  ARG   4           HB1      ARG   4  15.572  -3.831  -5.420
   26    HG2  ARG   4           HG2      ARG   4  15.370  -5.358  -7.181
   27    HG3  ARG   4           HG1      ARG   4  13.885  -5.626  -6.273
   28    HD2  ARG   4           HD2      ARG   4  13.894  -5.235  -8.948
   29    HD3  ARG   4           HD1      ARG   4  12.551  -4.700  -7.929
   30    HE   ARG   4           HE       ARG   4  13.463  -2.438  -7.986
   31   HH11  ARG   4          HH11      ARG   4  13.344  -2.480 -10.786
   32   HH12  ARG   4          HH12      ARG   4  14.980  -2.328 -11.335
   33   HH21  ARG   4          HH21      ARG   4  16.367  -3.237  -8.290
   34   HH22  ARG   4          HH22      ARG   4  16.691  -2.757  -9.923
   35    H    LEU   5           HN       LEU   5  12.951  -2.705  -2.803
   36    HA   LEU   5           HA       LEU   5  13.853   0.117  -3.133
   37    HB2  LEU   5           HB2      LEU   5  11.777  -1.126  -1.291
   38    HB3  LEU   5           HB1      LEU   5  12.140   0.592  -1.410
   39    HG   LEU   5           HG       LEU   5  10.216   0.287  -2.765
   40   HD11  LEU   5          HD11      LEU   5  10.945   1.171  -4.760
   41   HD12  LEU   5          HD12      LEU   5  12.218  -0.035  -4.948
   42   HD13  LEU   5          HD13      LEU   5  12.442   1.316  -3.837
   43   HD21  LEU   5          HD21      LEU   5  11.251  -1.765  -4.594
   44   HD22  LEU   5          HD22      LEU   5   9.671  -1.644  -3.821
   45   HD23  LEU   5          HD23      LEU   5  11.029  -2.348  -2.944
   46    H    CYS   6           HN       CYS   6  15.803   0.245  -2.247
   47    HA   CYS   6           HA       CYS   6  16.203  -0.686   0.550
   48    HB2  CYS   6           HB2      CYS   6  17.256  -1.932  -1.854
   49    HB3  CYS   6           HB1      CYS   6  18.575  -1.350  -0.838
   50    H    TYR   7           HN       TYR   7  16.951   0.971   1.623
   51    HA   TYR   7           HA       TYR   7  19.203   2.574   0.743
   52    HB2  TYR   7           HB2      TYR   7  17.457   4.623   1.017
   53    HB3  TYR   7           HB1      TYR   7  17.740   3.858  -0.540
   54    HD1  TYR   7           HD1      TYR   7  16.091   3.001  -1.666
   55    HD2  TYR   7           HD2      TYR   7  15.781   3.496   2.548
   56    HE1  TYR   7           HE1      TYR   7  13.765   2.244  -1.798
   57    HE2  TYR   7           HE2      TYR   7  13.445   2.750   2.481
   58    HH   TYR   7           HH       TYR   7  12.053   1.138   0.681
   59    H    CYS   8           HN       CYS   8  19.708   4.064   2.399
   60    HA   CYS   8           HA       CYS   8  18.272   3.833   4.972
   61    HB2  CYS   8           HB2      CYS   8  19.942   1.965   4.541
   62    HB3  CYS   8           HB1      CYS   8  21.192   3.195   4.729
   63    H    ARG   9           HN       ARG   9  18.084   5.804   5.640
   64    HA   ARG   9           HA       ARG   9  20.297   7.790   5.423
   65    HB2  ARG   9           HB2      ARG   9  17.365   7.867   4.794
   66    HB3  ARG   9           HB1      ARG   9  18.172   9.353   5.295
   67    HG2  ARG   9           HG2      ARG   9  18.425   9.392   2.969
   68    HG3  ARG   9           HG1      ARG   9  19.950   8.702   3.516
   69    HD2  ARG   9           HD2      ARG   9  18.151   6.525   3.228
   70    HD3  ARG   9           HD1      ARG   9  17.995   7.520   1.767
   71    HE   ARG   9           HE       ARG   9  20.650   6.604   2.814
   72   HH11  ARG   9          HH11      ARG   9  18.375   6.219   0.356
   73   HH12  ARG   9          HH12      ARG   9  19.506   6.370  -0.946
   74   HH21  ARG   9          HH21      ARG   9  22.149   7.291   1.100
   75   HH22  ARG   9          HH22      ARG   9  21.641   6.976  -0.526
   76    HA   PRO  10           HA       PRO  10  19.862   7.866   9.829
   77    HB2  PRO  10           HB2      PRO  10  20.669  10.477  10.280
   78    HB3  PRO  10           HB1      PRO  10  21.782   9.119  10.004
   79    HG2  PRO  10           HG2      PRO  10  20.719  11.112   8.032
   80    HG3  PRO  10           HG1      PRO  10  22.389  10.561   8.276
   81    HD2  PRO  10           HD2      PRO  10  20.966   9.535   6.297
   82    HD3  PRO  10           HD1      PRO  10  21.966   8.455   7.300
   83    H    ARG  11           HN       ARG  11  18.104   9.816   7.625
   84    HA   ARG  11           HA       ARG  11  16.326  11.043   9.606
   85    HB2  ARG  11           HB2      ARG  11  16.494  10.906   6.608
   86    HB3  ARG  11           HB1      ARG  11  15.150  11.697   7.431
   87    HG2  ARG  11           HG2      ARG  11  16.476  13.542   7.373
   88    HG3  ARG  11           HG1      ARG  11  17.302  12.786   8.736
   89    HD2  ARG  11           HD2      ARG  11  18.657  11.537   6.832
   90    HD3  ARG  11           HD1      ARG  11  18.149  12.932   5.860
   91    HE   ARG  11           HE       ARG  11  19.283  13.512   8.534
   92   HH11  ARG  11          HH11      ARG  11  18.906  15.186   5.876
   93   HH12  ARG  11          HH12      ARG  11  20.572  15.457   5.485
   94   HH21  ARG  11          HH21      ARG  11  21.755  13.076   7.710
   95   HH22  ARG  11          HH22      ARG  11  22.185  14.263   6.525
   96    H    PHE  12           HN       PHE  12  16.501   8.282   7.572
   97    HA   PHE  12           HA       PHE  12  14.331   6.833   8.872
   98    HB2  PHE  12           HB2      PHE  12  12.949   6.820   6.754
   99    HB3  PHE  12           HB1      PHE  12  13.063   8.440   7.467
  100    HD1  PHE  12           HD1      PHE  12  14.437  10.130   6.521
  101    HD2  PHE  12           HD2      PHE  12  14.346   6.209   4.808
  102    HE1  PHE  12           HE1      PHE  12  15.640  10.992   4.544
  103    HE2  PHE  12           HE2      PHE  12  15.533   7.056   2.809
  104    HZ   PHE  12           HZ       PHE  12  16.184   9.453   2.661
  105    H    CYS  13           HN       CYS  13  14.334   4.565   7.812
  106    HA   CYS  13           HA       CYS  13  16.046   4.209   5.533
  107    HB2  CYS  13           HB2      CYS  13  17.881   4.640   6.865
  108    HB3  CYS  13           HB1      CYS  13  17.095   4.060   8.324
  109    H    VAL  14           HN       VAL  14  15.466   2.270   4.628
  110    HA   VAL  14           HA       VAL  14  14.769  -0.076   6.227
  111    HB   VAL  14           HB       VAL  14  12.807   1.850   5.146
  112   HG11  VAL  14          HG11      VAL  14  12.320   0.114   3.566
  113   HG12  VAL  14          HG12      VAL  14  11.114  -0.030   4.845
  114   HG13  VAL  14          HG13      VAL  14  12.486  -1.137   4.798
  115   HG21  VAL  14          HG21      VAL  14  12.590   1.672   7.421
  116   HG22  VAL  14          HG22      VAL  14  13.159   0.003   7.446
  117   HG23  VAL  14          HG23      VAL  14  11.501   0.361   6.966
  118    H    CYS  15           HN       CYS  15  14.458  -1.943   4.887
  119    HA   CYS  15           HA       CYS  15  15.183  -1.599   1.999
  120    HB2  CYS  15           HB2      CYS  15  16.640  -2.813   4.190
  121    HB3  CYS  15           HB1      CYS  15  16.277  -4.027   2.965
  122    H    VAL  16           HN       VAL  16  13.772  -2.672   0.689
  123    HA   VAL  16           HA       VAL  16  12.602  -5.240   1.365
  124    HB   VAL  16           HB       VAL  16  11.393  -2.959   2.421
  125   HG11  VAL  16          HG11      VAL  16   9.263  -2.755   1.192
  126   HG12  VAL  16          HG12      VAL  16   9.861  -3.877  -0.027
  127   HG13  VAL  16          HG13      VAL  16  10.630  -2.305   0.171
  128   HG21  VAL  16          HG21      VAL  16  10.833  -4.964   3.437
  129   HG22  VAL  16          HG22      VAL  16  10.565  -5.789   1.901
  130   HG23  VAL  16          HG23      VAL  16   9.358  -4.663   2.520
  131    H    GLY  17           HN       GLY  17  12.221  -6.280  -0.475
  132    HA2  GLY  17           HA2      GLY  17  11.172  -5.056  -2.834
  133    HA3  GLY  17           HA1      GLY  17  12.918  -5.275  -2.983
  134    H    ARG  18           HN       ARG  18   9.915  -6.815  -3.327
  135    HA   ARG  18           HA       ARG  18  11.306  -9.231  -4.067
  136    HB2  ARG  18           HB2      ARG  18  10.740 -10.578  -2.235
  137    HB3  ARG  18           HB1      ARG  18  11.114  -9.028  -1.485
  138    HG2  ARG  18           HG2      ARG  18   8.401 -10.259  -1.991
  139    HG3  ARG  18           HG1      ARG  18   9.098  -9.737  -0.462
  140    HD2  ARG  18           HD2      ARG  18   8.223  -7.908  -2.732
  141    HD3  ARG  18           HD1      ARG  18   7.419  -8.106  -1.168
  142    HE   ARG  18           HE       ARG  18  10.241  -7.421  -0.913
  143   HH11  ARG  18          HH11      ARG  18   8.649  -6.443   1.196
  144   HH12  ARG  18          HH12      ARG  18   8.242  -4.817   0.756
  145   HH21  ARG  18          HH21      ARG  18   9.003  -5.251  -2.598
  146   HH22  ARG  18          HH22      ARG  18   8.442  -4.142  -1.391
  Start of MODEL   16
    1    H1   ARG   1           HT1      ARG   1  11.040 -11.163  -9.704
    2    H2   ARG   1           HT2      ARG   1  12.597 -10.772 -10.262
    3    H3   ARG   1           HT3      ARG   1  11.226 -10.201 -11.088
    4    HA   ARG   1           HA       ARG   1  11.659  -9.472  -8.259
    5    HB2  ARG   1           HB2      ARG   1  13.026  -7.605  -9.014
    6    HB3  ARG   1           HB1      ARG   1  13.738  -9.099  -9.622
    7    HG2  ARG   1           HG2      ARG   1  12.205  -8.622 -11.717
    8    HG3  ARG   1           HG1      ARG   1  12.255  -6.964 -11.117
    9    HD2  ARG   1           HD2      ARG   1  14.092  -7.337 -12.718
   10    HD3  ARG   1           HD1      ARG   1  14.757  -7.095 -11.091
   11    HE   ARG   1           HE       ARG   1  14.258  -9.856 -11.327
   12   HH11  ARG   1          HH11      ARG   1  15.275  -8.743 -14.128
   13   HH12  ARG   1          HH12      ARG   1  16.930  -9.245 -14.027
   14   HH21  ARG   1          HH21      ARG   1  16.788  -9.943 -10.633
   15   HH22  ARG   1          HH22      ARG   1  17.787  -9.923 -12.047
   16    H    GLY   2           HN       GLY   2  11.340  -6.654  -9.351
   17    HA2  GLY   2           HA2      GLY   2   9.315  -5.851 -10.834
   18    HA3  GLY   2           HA1      GLY   2   8.383  -6.772  -9.650
   19    H    GLY   3           HN       GLY   3  10.215  -6.057  -7.439
   20    HA2  GLY   3           HA2      GLY   3   9.944  -3.117  -7.227
   21    HA3  GLY   3           HA1      GLY   3   9.031  -4.083  -6.067
   22    H    ARG   4           HN       ARG   4  11.910  -2.514  -6.563
   23    HA   ARG   4           HA       ARG   4  13.102  -4.136  -4.398
   24    HB2  ARG   4           HB2      ARG   4  14.549  -2.806  -6.709
   25    HB3  ARG   4           HB1      ARG   4  15.293  -3.779  -5.448
   26    HG2  ARG   4           HG2      ARG   4  15.084  -5.313  -7.207
   27    HG3  ARG   4           HG1      ARG   4  13.666  -5.651  -6.221
   28    HD2  ARG   4           HD2      ARG   4  13.505  -5.290  -8.890
   29    HD3  ARG   4           HD1      ARG   4  12.199  -4.797  -7.807
   30    HE   ARG   4           HE       ARG   4  13.098  -2.495  -7.885
   31   HH11  ARG   4          HH11      ARG   4  13.166  -4.304 -10.655
   32   HH12  ARG   4          HH12      ARG   4  14.354  -3.356 -11.485
   33   HH21  ARG   4          HH21      ARG   4  15.189  -1.473  -8.696
   34   HH22  ARG   4          HH22      ARG   4  15.499  -1.753 -10.376
   35    H    LEU   5           HN       LEU   5  12.743  -2.735  -2.732
   36    HA   LEU   5           HA       LEU   5  13.548   0.110  -3.110
   37    HB2  LEU   5           HB2      LEU   5  11.583  -1.164  -1.170
   38    HB3  LEU   5           HB1      LEU   5  11.893   0.561  -1.330
   39    HG   LEU   5           HG       LEU   5   9.917   0.174  -2.592
   40   HD11  LEU   5          HD11      LEU   5  11.817  -0.103  -4.866
   41   HD12  LEU   5          HD12      LEU   5  12.075   1.252  -3.767
   42   HD13  LEU   5          HD13      LEU   5  10.535   1.080  -4.609
   43   HD21  LEU   5          HD21      LEU   5  10.808  -2.435  -2.789
   44   HD22  LEU   5          HD22      LEU   5  10.940  -1.858  -4.450
   45   HD23  LEU   5          HD23      LEU   5   9.392  -1.782  -3.611
   46    H    CYS   6           HN       CYS   6  15.530   0.283  -2.311
   47    HA   CYS   6           HA       CYS   6  16.088  -0.667   0.455
   48    HB2  CYS   6           HB2      CYS   6  17.038  -1.856  -2.010
   49    HB3  CYS   6           HB1      CYS   6  18.404  -1.218  -1.096
   50    H    TYR   7           HN       TYR   7  16.832   1.005   1.518
   51    HA   TYR   7           HA       TYR   7  19.000   2.674   0.552
   52    HB2  TYR   7           HB2      TYR   7  17.221   4.677   0.934
   53    HB3  TYR   7           HB1      TYR   7  17.450   3.935  -0.644
   54    HD1  TYR   7           HD1      TYR   7  15.642   3.509   2.525
   55    HD2  TYR   7           HD2      TYR   7  15.781   3.030  -1.702
   56    HE1  TYR   7           HE1      TYR   7  13.327   2.695   2.558
   57    HE2  TYR   7           HE2      TYR   7  13.470   2.218  -1.734
   58    HH   TYR   7           HH       TYR   7  11.416   2.429   1.090
   59    H    CYS   8           HN       CYS   8  19.562   4.142   2.197
   60    HA   CYS   8           HA       CYS   8  18.271   3.832   4.841
   61    HB2  CYS   8           HB2      CYS   8  19.973   2.036   4.297
   62    HB3  CYS   8           HB1      CYS   8  21.190   3.305   4.404
   63    H    ARG   9           HN       ARG   9  18.049   5.782   5.559
   64    HA   ARG   9           HA       ARG   9  20.160   7.865   5.226
   65    HB2  ARG   9           HB2      ARG   9  17.184   7.827   4.847
   66    HB3  ARG   9           HB1      ARG   9  17.973   9.336   5.305
   67    HG2  ARG   9           HG2      ARG   9  18.008   9.416   2.963
   68    HG3  ARG   9           HG1      ARG   9  19.610   8.802   3.366
   69    HD2  ARG   9           HD2      ARG   9  17.912   6.533   3.197
   70    HD3  ARG   9           HD1      ARG   9  17.573   7.537   1.774
   71    HE   ARG   9           HE       ARG   9  20.348   6.723   2.565
   72   HH11  ARG   9          HH11      ARG   9  19.310   5.034   0.455
   73   HH12  ARG   9          HH12      ARG   9  19.707   5.885  -1.000
   74   HH21  ARG   9          HH21      ARG   9  20.262   8.908   0.605
   75   HH22  ARG   9          HH22      ARG   9  20.246   8.077  -0.915
   76    HA   PRO  10           HA       PRO  10  20.055   7.838   9.655
   77    HB2  PRO  10           HB2      PRO  10  20.819  10.462  10.100
   78    HB3  PRO  10           HB1      PRO  10  21.948   9.146   9.712
   79    HG2  PRO  10           HG2      PRO  10  20.684  11.144   7.869
   80    HG3  PRO  10           HG1      PRO  10  22.382  10.638   7.976
   81    HD2  PRO  10           HD2      PRO  10  20.835   9.614   6.087
   82    HD3  PRO  10           HD1      PRO  10  21.947   8.546   6.977
   83    H    ARG  11           HN       ARG  11  18.126   9.813   7.613
   84    HA   ARG  11           HA       ARG  11  16.432  10.921   9.726
   85    HB2  ARG  11           HB2      ARG  11  16.230  10.842   6.722
   86    HB3  ARG  11           HB1      ARG  11  15.202  11.814   7.773
   87    HG2  ARG  11           HG2      ARG  11  18.223  12.042   7.609
   88    HG3  ARG  11           HG1      ARG  11  17.089  13.125   6.803
   89    HD2  ARG  11           HD2      ARG  11  17.134  12.673   9.808
   90    HD3  ARG  11           HD1      ARG  11  17.923  14.037   8.994
   91    HE   ARG  11           HE       ARG  11  14.977  13.514   8.923
   92   HH11  ARG  11          HH11      ARG  11  16.825  15.188   6.899
   93   HH12  ARG  11          HH12      ARG  11  16.328  16.779   7.368
   94   HH21  ARG  11          HH21      ARG  11  14.724  15.719  10.253
   95   HH22  ARG  11          HH22      ARG  11  15.139  17.081   9.267
   96    H    PHE  12           HN       PHE  12  16.570   8.209   7.637
   97    HA   PHE  12           HA       PHE  12  14.501   6.694   9.013
   98    HB2  PHE  12           HB2      PHE  12  12.997   6.680   6.984
   99    HB3  PHE  12           HB1      PHE  12  13.122   8.295   7.705
  100    HD1  PHE  12           HD1      PHE  12  14.280   6.116   4.950
  101    HD2  PHE  12           HD2      PHE  12  14.405  10.020   6.700
  102    HE1  PHE  12           HE1      PHE  12  15.334   7.004   2.896
  103    HE2  PHE  12           HE2      PHE  12  15.447  10.929   4.656
  104    HZ   PHE  12           HZ       PHE  12  15.913   9.418   2.727
  105    H    CYS  13           HN       CYS  13  14.516   4.437   7.937
  106    HA   CYS  13           HA       CYS  13  16.100   4.158   5.554
  107    HB2  CYS  13           HB2      CYS  13  17.999   4.633   6.779
  108    HB3  CYS  13           HB1      CYS  13  17.318   4.019   8.275
  109    H    VAL  14           HN       VAL  14  15.504   2.224   4.656
  110    HA   VAL  14           HA       VAL  14  15.013  -0.174   6.253
  111    HB   VAL  14           HB       VAL  14  12.902   1.691   5.343
  112   HG11  VAL  14          HG11      VAL  14  12.619  -1.315   5.088
  113   HG12  VAL  14          HG12      VAL  14  12.419  -0.120   3.807
  114   HG13  VAL  14          HG13      VAL  14  11.252  -0.200   5.128
  115   HG21  VAL  14          HG21      VAL  14  12.744   1.529   7.602
  116   HG22  VAL  14          HG22      VAL  14  13.586  -0.020   7.641
  117   HG23  VAL  14          HG23      VAL  14  11.862   0.038   7.270
  118    H    CYS  15           HN       CYS  15  14.650  -2.026   4.897
  119    HA   CYS  15           HA       CYS  15  15.147  -1.600   1.972
  120    HB2  CYS  15           HB2      CYS  15  16.774  -2.852   4.027
  121    HB3  CYS  15           HB1      CYS  15  16.375  -4.007   2.758
  122    H    VAL  16           HN       VAL  16  13.455  -2.481   0.899
  123    HA   VAL  16           HA       VAL  16  12.465  -5.175   1.572
  124    HB   VAL  16           HB       VAL  16  10.322  -3.138   1.240
  125   HG11  VAL  16          HG11      VAL  16   9.921  -5.567   1.597
  126   HG12  VAL  16          HG12      VAL  16   9.189  -4.572   2.856
  127   HG13  VAL  16          HG13      VAL  16  10.692  -5.438   3.179
  128   HG21  VAL  16          HG21      VAL  16  11.841  -1.961   2.810
  129   HG22  VAL  16          HG22      VAL  16  11.857  -3.383   3.851
  130   HG23  VAL  16          HG23      VAL  16  10.362  -2.480   3.617
  131    H    GLY  17           HN       GLY  17  12.339  -6.202  -0.321
  132    HA2  GLY  17           HA2      GLY  17  10.970  -5.027  -2.564
  133    HA3  GLY  17           HA1      GLY  17  12.717  -5.098  -2.818
  134    H    ARG  18           HN       ARG  18   9.816  -6.872  -2.865
  135    HA   ARG  18           HA       ARG  18  11.374  -9.209  -3.680
  136    HB2  ARG  18           HB2      ARG  18  10.430 -10.597  -1.917
  137    HB3  ARG  18           HB1      ARG  18  11.164  -9.151  -1.195
  138    HG2  ARG  18           HG2      ARG  18   8.527  -8.396  -1.819
  139    HG3  ARG  18           HG1      ARG  18   8.384 -10.017  -1.143
  140    HD2  ARG  18           HD2      ARG  18   8.379  -7.937   0.472
  141    HD3  ARG  18           HD1      ARG  18   9.324  -9.370   0.919
  142    HE   ARG  18           HE       ARG  18  10.566  -7.070  -0.537
  143   HH11  ARG  18          HH11      ARG  18  12.794  -8.410  -0.419
  144   HH12  ARG  18          HH12      ARG  18  13.354  -8.509   1.216
  145   HH21  ARG  18          HH21      ARG  18  10.295  -7.647   2.601
  146   HH22  ARG  18          HH22      ARG  18  11.941  -8.077   2.924
  Start of MODEL   17
    1    H1   ARG   1           HT1      ARG   1  14.119  -4.575 -12.658
    2    H2   ARG   1           HT2      ARG   1  13.017  -3.611 -11.798
    3    H3   ARG   1           HT3      ARG   1  12.567  -4.297 -13.284
    4    HA   ARG   1           HA       ARG   1  12.741  -6.530 -12.316
    5    HB2  ARG   1           HB2      ARG   1  14.296  -5.060 -10.499
    6    HB3  ARG   1           HB1      ARG   1  12.877  -5.547  -9.571
    7    HG2  ARG   1           HG2      ARG   1  13.234  -7.863 -10.059
    8    HG3  ARG   1           HG1      ARG   1  14.447  -7.485 -11.282
    9    HD2  ARG   1           HD2      ARG   1  14.813  -6.662  -8.394
   10    HD3  ARG   1           HD1      ARG   1  15.351  -8.243  -8.997
   11    HE   ARG   1           HE       ARG   1  16.192  -5.762 -10.428
   12   HH11  ARG   1          HH11      ARG   1  17.696  -7.479 -11.743
   13   HH12  ARG   1          HH12      ARG   1  19.024  -7.970 -10.745
   14   HH21  ARG   1          HH21      ARG   1  17.553  -6.887  -7.798
   15   HH22  ARG   1          HH22      ARG   1  18.943  -7.635  -8.511
   16    H    GLY   2           HN       GLY   2  11.271  -6.844  -9.892
   17    HA2  GLY   2           HA2      GLY   2   8.652  -5.777 -10.768
   18    HA3  GLY   2           HA1      GLY   2   8.901  -7.034  -9.554
   19    H    GLY   3           HN       GLY   3  10.324  -6.099  -7.615
   20    HA2  GLY   3           HA2      GLY   3   9.696  -3.296  -6.960
   21    HA3  GLY   3           HA1      GLY   3   8.907  -4.505  -5.945
   22    H    ARG   4           HN       ARG   4  11.520  -2.558  -6.095
   23    HA   ARG   4           HA       ARG   4  12.822  -4.233  -4.124
   24    HB2  ARG   4           HB2      ARG   4  15.064  -3.679  -5.231
   25    HB3  ARG   4           HB1      ARG   4  14.066  -4.898  -6.017
   26    HG2  ARG   4           HG2      ARG   4  13.891  -1.995  -6.811
   27    HG3  ARG   4           HG1      ARG   4  15.114  -3.059  -7.503
   28    HD2  ARG   4           HD2      ARG   4  13.587  -3.861  -8.944
   29    HD3  ARG   4           HD1      ARG   4  12.586  -4.414  -7.588
   30    HE   ARG   4           HE       ARG   4  11.924  -1.865  -7.500
   31   HH11  ARG   4          HH11      ARG   4   9.791  -2.641  -8.901
   32   HH12  ARG   4          HH12      ARG   4  10.018  -2.198 -10.560
   33   HH21  ARG   4          HH21      ARG   4  13.441  -1.746 -10.245
   34   HH22  ARG   4          HH22      ARG   4  12.084  -1.689 -11.319
   35    H    LEU   5           HN       LEU   5  12.556  -2.844  -2.470
   36    HA   LEU   5           HA       LEU   5  13.459  -0.043  -2.893
   37    HB2  LEU   5           HB2      LEU   5  11.525  -1.206  -0.854
   38    HB3  LEU   5           HB1      LEU   5  11.895   0.502  -1.058
   39    HG   LEU   5           HG       LEU   5   9.864   0.204  -2.221
   40   HD11  LEU   5          HD11      LEU   5  11.624  -0.276  -4.577
   41   HD12  LEU   5          HD12      LEU   5  11.999   1.112  -3.555
   42   HD13  LEU   5          HD13      LEU   5  10.413   0.979  -4.314
   43   HD21  LEU   5          HD21      LEU   5  10.472  -2.438  -2.281
   44   HD22  LEU   5          HD22      LEU   5  10.748  -2.016  -3.970
   45   HD23  LEU   5          HD23      LEU   5   9.174  -1.720  -3.232
   46    H    CYS   6           HN       CYS   6  15.456   0.115  -2.119
   47    HA   CYS   6           HA       CYS   6  16.046  -0.814   0.641
   48    HB2  CYS   6           HB2      CYS   6  16.918  -2.088  -1.811
   49    HB3  CYS   6           HB1      CYS   6  18.316  -1.471  -0.932
   50    H    TYR   7           HN       TYR   7  16.838   0.868   1.649
   51    HA   TYR   7           HA       TYR   7  19.041   2.458   0.627
   52    HB2  TYR   7           HB2      TYR   7  17.325   4.515   0.935
   53    HB3  TYR   7           HB1      TYR   7  17.493   3.695  -0.612
   54    HD1  TYR   7           HD1      TYR   7  15.776   2.778  -1.584
   55    HD2  TYR   7           HD2      TYR   7  15.743   3.487   2.612
   56    HE1  TYR   7           HE1      TYR   7  13.450   2.018  -1.524
   57    HE2  TYR   7           HE2      TYR   7  13.409   2.742   2.736
   58    HH   TYR   7           HH       TYR   7  11.357   2.673   0.675
   59    H    CYS   8           HN       CYS   8  19.625   3.979   2.227
   60    HA   CYS   8           HA       CYS   8  18.320   3.787   4.874
   61    HB2  CYS   8           HB2      CYS   8  20.020   1.955   4.401
   62    HB3  CYS   8           HB1      CYS   8  21.240   3.224   4.498
   63    H    ARG   9           HN       ARG   9  18.109   5.767   5.495
   64    HA   ARG   9           HA       ARG   9  20.251   7.807   5.108
   65    HB2  ARG   9           HB2      ARG   9  17.276   7.814   4.666
   66    HB3  ARG   9           HB1      ARG   9  18.114   9.325   5.016
   67    HG2  ARG   9           HG2      ARG   9  18.178   9.220   2.674
   68    HG3  ARG   9           HG1      ARG   9  19.753   8.586   3.145
   69    HD2  ARG   9           HD2      ARG   9  17.964   6.374   3.127
   70    HD3  ARG   9           HD1      ARG   9  17.700   7.272   1.620
   71    HE   ARG   9           HE       ARG   9  20.478   6.615   2.514
   72   HH11  ARG   9          HH11      ARG   9  21.039   4.724   1.100
   73   HH12  ARG   9          HH12      ARG   9  20.648   4.928  -0.575
   74   HH21  ARG   9          HH21      ARG   9  18.632   7.698  -0.045
   75   HH22  ARG   9          HH22      ARG   9  19.287   6.611  -1.222
   76    HA   PRO  10           HA       PRO  10  20.035   8.007   9.526
   77    HB2  PRO  10           HB2      PRO  10  20.774  10.657   9.859
   78    HB3  PRO  10           HB1      PRO  10  21.919   9.327   9.569
   79    HG2  PRO  10           HG2      PRO  10  20.694  11.218   7.590
   80    HG3  PRO  10           HG1      PRO  10  22.393  10.733   7.771
   81    HD2  PRO  10           HD2      PRO  10  20.917   9.594   5.896
   82    HD3  PRO  10           HD1      PRO  10  21.996   8.580   6.886
   83    H    ARG  11           HN       ARG  11  18.184   9.940   7.351
   84    HA   ARG  11           HA       ARG  11  16.418  11.131   9.341
   85    HB2  ARG  11           HB2      ARG  11  16.275  10.818   6.348
   86    HB3  ARG  11           HB1      ARG  11  15.218  11.858   7.301
   87    HG2  ARG  11           HG2      ARG  11  18.237  12.101   7.115
   88    HG3  ARG  11           HG1      ARG  11  17.074  13.146   6.300
   89    HD2  ARG  11           HD2      ARG  11  16.261  14.016   8.394
   90    HD3  ARG  11           HD1      ARG  11  17.166  12.798   9.314
   91    HE   ARG  11           HE       ARG  11  19.256  13.867   8.508
   92   HH11  ARG  11          HH11      ARG  11  17.490  15.370   6.359
   93   HH12  ARG  11          HH12      ARG  11  17.686  16.994   6.930
   94   HH21  ARG  11          HH21      ARG  11  18.999  16.038   9.995
   95   HH22  ARG  11          HH22      ARG  11  18.540  17.372   8.989
   96    H    PHE  12           HN       PHE  12  16.590   8.293   7.408
   97    HA   PHE  12           HA       PHE  12  14.528   6.841   8.866
   98    HB2  PHE  12           HB2      PHE  12  13.027   6.713   6.837
   99    HB3  PHE  12           HB1      PHE  12  13.142   8.363   7.476
  100    HD1  PHE  12           HD1      PHE  12  14.386  10.049   6.375
  101    HD2  PHE  12           HD2      PHE  12  14.357   6.050   4.851
  102    HE1  PHE  12           HE1      PHE  12  15.443  10.859   4.297
  103    HE2  PHE  12           HE2      PHE  12  15.402   6.842   2.754
  104    HZ   PHE  12           HZ       PHE  12  15.948   9.253   2.459
  105    H    CYS  13           HN       CYS  13  14.518   4.538   7.885
  106    HA   CYS  13           HA       CYS  13  16.124   4.136   5.534
  107    HB2  CYS  13           HB2      CYS  13  18.008   4.645   6.769
  108    HB3  CYS  13           HB1      CYS  13  17.306   4.080   8.276
  109    H    VAL  14           HN       VAL  14  15.509   2.180   4.710
  110    HA   VAL  14           HA       VAL  14  14.950  -0.145   6.393
  111    HB   VAL  14           HB       VAL  14  12.891   1.723   5.383
  112   HG11  VAL  14          HG11      VAL  14  12.325  -0.064   3.897
  113   HG12  VAL  14          HG12      VAL  14  11.221  -0.207   5.264
  114   HG13  VAL  14          HG13      VAL  14  12.617  -1.278   5.143
  115   HG21  VAL  14          HG21      VAL  14  12.830   1.618   7.673
  116   HG22  VAL  14          HG22      VAL  14  13.415  -0.045   7.715
  117   HG23  VAL  14          HG23      VAL  14  11.726   0.286   7.330
  118    H    CYS  15           HN       CYS  15  14.588  -2.044   5.096
  119    HA   CYS  15           HA       CYS  15  15.124  -1.722   2.165
  120    HB2  CYS  15           HB2      CYS  15  16.747  -2.875   4.265
  121    HB3  CYS  15           HB1      CYS  15  16.333  -4.108   3.075
  122    H    VAL  16           HN       VAL  16  13.477  -2.641   1.089
  123    HA   VAL  16           HA       VAL  16  12.460  -5.311   1.785
  124    HB   VAL  16           HB       VAL  16  10.775  -2.783   1.863
  125   HG11  VAL  16          HG11      VAL  16   9.630  -4.683   0.704
  126   HG12  VAL  16          HG12      VAL  16   8.850  -4.236   2.222
  127   HG13  VAL  16          HG13      VAL  16   9.879  -5.666   2.147
  128   HG21  VAL  16          HG21      VAL  16  11.626  -4.821   3.922
  129   HG22  VAL  16          HG22      VAL  16  10.212  -3.797   4.169
  130   HG23  VAL  16          HG23      VAL  16  11.808  -3.069   3.979
  131    H    GLY  17           HN       GLY  17  12.288  -6.348  -0.109
  132    HA2  GLY  17           HA2      GLY  17  10.974  -5.143  -2.368
  133    HA3  GLY  17           HA1      GLY  17  12.720  -5.239  -2.603
  134    H    ARG  18           HN       ARG  18   9.794  -6.962  -2.711
  135    HA   ARG  18           HA       ARG  18  11.196  -9.237  -3.762
  136    HB2  ARG  18           HB2      ARG  18  10.998 -10.714  -1.947
  137    HB3  ARG  18           HB1      ARG  18  11.378  -9.178  -1.163
  138    HG2  ARG  18           HG2      ARG  18   8.619 -10.394  -1.488
  139    HG3  ARG  18           HG1      ARG  18   9.534 -10.246   0.011
  140    HD2  ARG  18           HD2      ARG  18   8.458  -7.960  -1.677
  141    HD3  ARG  18           HD1      ARG  18   7.927  -8.426  -0.050
  142    HE   ARG  18           HE       ARG  18  10.228  -6.824  -0.604
  143   HH11  ARG  18          HH11      ARG  18   8.622  -7.734   1.992
  144   HH12  ARG  18          HH12      ARG  18   9.963  -8.231   2.969
  145   HH21  ARG  18          HH21      ARG  18  12.223  -8.237   0.341
  146   HH22  ARG  18          HH22      ARG  18  11.999  -8.513   2.035
  Start of MODEL   18
    1    H1   ARG   1           HT1      ARG   1  12.485  -7.262 -11.752
    2    H2   ARG   1           HT2      ARG   1  11.558  -8.502 -12.452
    3    H3   ARG   1           HT3      ARG   1  13.078  -8.851 -11.778
    4    HA   ARG   1           HA       ARG   1  11.362  -9.579 -10.258
    5    HB2  ARG   1           HB2      ARG   1  13.472  -7.675  -9.825
    6    HB3  ARG   1           HB1      ARG   1  12.173  -7.341  -8.679
    7    HG2  ARG   1           HG2      ARG   1  12.252 -10.042  -8.503
    8    HG3  ARG   1           HG1      ARG   1  13.940  -9.717  -8.895
    9    HD2  ARG   1           HD2      ARG   1  14.348  -8.893  -6.820
   10    HD3  ARG   1           HD1      ARG   1  12.904  -7.860  -6.878
   11    HE   ARG   1           HE       ARG   1  11.587  -9.977  -6.352
   12   HH11  ARG   1          HH11      ARG   1  13.227  -8.967  -3.992
   13   HH12  ARG   1          HH12      ARG   1  13.950 -10.438  -3.430
   14   HH21  ARG   1          HH21      ARG   1  13.252 -12.199  -6.334
   15   HH22  ARG   1          HH22      ARG   1  13.964 -12.267  -4.757
   16    H    GLY   2           HN       GLY   2  10.305  -7.855  -8.259
   17    HA2  GLY   2           HA2      GLY   2   8.088  -6.571  -9.795
   18    HA3  GLY   2           HA1      GLY   2   7.923  -7.225  -8.166
   19    H    GLY   3           HN       GLY   3  10.567  -6.026  -7.380
   20    HA2  GLY   3           HA2      GLY   3  10.716  -3.249  -7.693
   21    HA3  GLY   3           HA1      GLY   3   9.559  -3.511  -6.389
   22    H    ARG   4           HN       ARG   4  12.500  -2.551  -6.653
   23    HA   ARG   4           HA       ARG   4  13.398  -4.211  -4.374
   24    HB2  ARG   4           HB2      ARG   4  15.146  -2.899  -6.479
   25    HB3  ARG   4           HB1      ARG   4  15.674  -4.000  -5.216
   26    HG2  ARG   4           HG2      ARG   4  15.544  -5.394  -7.103
   27    HG3  ARG   4           HG1      ARG   4  14.023  -5.695  -6.272
   28    HD2  ARG   4           HD2      ARG   4  14.113  -5.162  -8.904
   29    HD3  ARG   4           HD1      ARG   4  12.766  -4.608  -7.902
   30    HE   ARG   4           HE       ARG   4  13.824  -2.395  -7.799
   31   HH11  ARG   4          HH11      ARG   4  16.501  -4.002  -8.588
   32   HH12  ARG   4          HH12      ARG   4  16.867  -3.160 -10.057
   33   HH21  ARG   4          HH21      ARG   4  13.773  -1.609 -10.252
   34   HH22  ARG   4          HH22      ARG   4  15.323  -1.806 -11.000
   35    H    LEU   5           HN       LEU   5  12.952  -2.810  -2.735
   36    HA   LEU   5           HA       LEU   5  13.823   0.023  -3.026
   37    HB2  LEU   5           HB2      LEU   5  11.730  -1.301  -1.261
   38    HB3  LEU   5           HB1      LEU   5  12.070   0.428  -1.306
   39    HG   LEU   5           HG       LEU   5  10.190   0.146  -2.730
   40   HD11  LEU   5          HD11      LEU   5  12.375   1.291  -3.688
   41   HD12  LEU   5          HD12      LEU   5  10.966   1.047  -4.721
   42   HD13  LEU   5          HD13      LEU   5  12.330  -0.066  -4.813
   43   HD21  LEU   5          HD21      LEU   5  11.019  -2.469  -2.965
   44   HD22  LEU   5          HD22      LEU   5  11.337  -1.839  -4.581
   45   HD23  LEU   5          HD23      LEU   5   9.713  -1.743  -3.902
   46    H    CYS   6           HN       CYS   6  15.753   0.188  -2.102
   47    HA   CYS   6           HA       CYS   6  16.116  -0.677   0.709
   48    HB2  CYS   6           HB2      CYS   6  16.790  -2.490  -1.066
   49    HB3  CYS   6           HB1      CYS   6  18.190  -1.451  -1.333
   50    H    TYR   7           HN       TYR   7  16.924   0.988   1.720
   51    HA   TYR   7           HA       TYR   7  19.221   2.488   0.770
   52    HB2  TYR   7           HB2      TYR   7  17.548   4.597   0.971
   53    HB3  TYR   7           HB1      TYR   7  17.770   3.751  -0.554
   54    HD1  TYR   7           HD1      TYR   7  16.083   2.872  -1.598
   55    HD2  TYR   7           HD2      TYR   7  15.861   3.626   2.583
   56    HE1  TYR   7           HE1      TYR   7  13.734   2.182  -1.650
   57    HE2  TYR   7           HE2      TYR   7  13.501   2.950   2.596
   58    HH   TYR   7           HH       TYR   7  11.622   2.688  -0.149
   59    H    CYS   8           HN       CYS   8  19.776   4.024   2.363
   60    HA   CYS   8           HA       CYS   8  18.385   3.832   4.973
   61    HB2  CYS   8           HB2      CYS   8  20.177   2.074   4.506
   62    HB3  CYS   8           HB1      CYS   8  21.332   3.396   4.672
   63    H    ARG   9           HN       ARG   9  18.093   5.801   5.604
   64    HA   ARG   9           HA       ARG   9  20.155   7.927   5.233
   65    HB2  ARG   9           HB2      ARG   9  17.182   7.818   4.785
   66    HB3  ARG   9           HB1      ARG   9  17.963   9.360   5.132
   67    HG2  ARG   9           HG2      ARG   9  18.033   9.256   2.791
   68    HG3  ARG   9           HG1      ARG   9  19.629   8.675   3.264
   69    HD2  ARG   9           HD2      ARG   9  17.927   6.400   3.248
   70    HD3  ARG   9           HD1      ARG   9  17.616   7.289   1.745
   71    HE   ARG   9           HE       ARG   9  20.421   6.723   2.621
   72   HH11  ARG   9          HH11      ARG   9  18.527   7.801   0.095
   73   HH12  ARG   9          HH12      ARG   9  19.218   6.769  -1.112
   74   HH21  ARG   9          HH21      ARG   9  21.048   4.892   1.156
   75   HH22  ARG   9          HH22      ARG   9  20.643   5.125  -0.512
   76    HA   PRO  10           HA       PRO  10  19.905   8.097   9.647
   77    HB2  PRO  10           HB2      PRO  10  20.554  10.767   9.998
   78    HB3  PRO  10           HB1      PRO  10  21.743   9.478   9.708
   79    HG2  PRO  10           HG2      PRO  10  20.474  11.344   7.737
   80    HG3  PRO  10           HG1      PRO  10  22.185  10.903   7.922
   81    HD2  PRO  10           HD2      PRO  10  20.739   9.741   6.031
   82    HD3  PRO  10           HD1      PRO  10  21.855   8.754   7.006
   83    H    ARG  11           HN       ARG  11  17.982   9.945   7.466
   84    HA   ARG  11           HA       ARG  11  16.170  11.072   9.464
   85    HB2  ARG  11           HB2      ARG  11  16.221  10.827   6.469
   86    HB3  ARG  11           HB1      ARG  11  14.903  11.618   7.336
   87    HG2  ARG  11           HG2      ARG  11  16.386  13.278   8.242
   88    HG3  ARG  11           HG1      ARG  11  17.808  12.403   7.669
   89    HD2  ARG  11           HD2      ARG  11  17.347  14.258   6.137
   90    HD3  ARG  11           HD1      ARG  11  16.971  12.733   5.309
   91    HE   ARG  11           HE       ARG  11  14.611  13.467   6.635
   92   HH11  ARG  11          HH11      ARG  11  14.873  13.162   3.641
   93   HH12  ARG  11          HH12      ARG  11  14.447  14.748   3.090
   94   HH21  ARG  11          HH21      ARG  11  14.853  16.228   6.200
   95   HH22  ARG  11          HH22      ARG  11  14.435  16.483   4.538
   96    H    PHE  12           HN       PHE  12  16.454   8.269   7.490
   97    HA   PHE  12           HA       PHE  12  14.425   6.726   8.907
   98    HB2  PHE  12           HB2      PHE  12  12.968   6.576   6.848
   99    HB3  PHE  12           HB1      PHE  12  13.015   8.220   7.514
  100    HD1  PHE  12           HD1      PHE  12  14.333   5.992   4.867
  101    HD2  PHE  12           HD2      PHE  12  14.243   9.957   6.472
  102    HE1  PHE  12           HE1      PHE  12  15.407   6.850   2.809
  103    HE2  PHE  12           HE2      PHE  12  15.305  10.838   4.423
  104    HZ   PHE  12           HZ       PHE  12  15.891   9.278   2.568
  105    H    CYS  13           HN       CYS  13  14.500   4.444   7.900
  106    HA   CYS  13           HA       CYS  13  16.161   4.116   5.571
  107    HB2  CYS  13           HB2      CYS  13  17.999   4.652   6.864
  108    HB3  CYS  13           HB1      CYS  13  17.275   4.036   8.342
  109    H    VAL  14           HN       VAL  14  15.507   2.190   4.689
  110    HA   VAL  14           HA       VAL  14  15.005  -0.190   6.320
  111    HB   VAL  14           HB       VAL  14  12.905   1.672   5.358
  112   HG11  VAL  14          HG11      VAL  14  12.359  -0.155   3.899
  113   HG12  VAL  14          HG12      VAL  14  11.256  -0.262   5.271
  114   HG13  VAL  14          HG13      VAL  14  12.651  -1.337   5.174
  115   HG21  VAL  14          HG21      VAL  14  13.508  -0.068   7.694
  116   HG22  VAL  14          HG22      VAL  14  11.805   0.229   7.342
  117   HG23  VAL  14          HG23      VAL  14  12.891   1.584   7.652
  118    H    CYS  15           HN       CYS  15  14.609  -2.061   4.987
  119    HA   CYS  15           HA       CYS  15  15.171  -1.666   2.069
  120    HB2  CYS  15           HB2      CYS  15  17.086  -2.487   3.531
  121    HB3  CYS  15           HB1      CYS  15  16.138  -3.950   3.801
  122    H    VAL  16           HN       VAL  16  13.763  -2.693   0.761
  123    HA   VAL  16           HA       VAL  16  12.296  -5.107   1.555
  124    HB   VAL  16           HB       VAL  16  10.964  -2.429   1.009
  125   HG11  VAL  16          HG11      VAL  16   9.475  -3.903   0.012
  126   HG12  VAL  16          HG12      VAL  16   8.904  -3.962   1.679
  127   HG13  VAL  16          HG13      VAL  16   9.943  -5.245   1.056
  128   HG21  VAL  16          HG21      VAL  16   9.931  -2.987   3.306
  129   HG22  VAL  16          HG22      VAL  16  11.616  -2.469   3.293
  130   HG23  VAL  16          HG23      VAL  16  11.221  -4.179   3.459
  131    H    GLY  17           HN       GLY  17  12.028  -6.328  -0.204
  132    HA2  GLY  17           HA2      GLY  17  11.528  -5.191  -2.813
  133    HA3  GLY  17           HA1      GLY  17  13.161  -5.849  -2.661
  134    H    ARG  18           HN       ARG  18   9.909  -6.596  -3.217
  135    HA   ARG  18           HA       ARG  18  10.603  -9.351  -3.624
  136    HB2  ARG  18           HB2      ARG  18   9.514 -10.298  -1.741
  137    HB3  ARG  18           HB1      ARG  18  10.408  -8.920  -1.097
  138    HG2  ARG  18           HG2      ARG  18   7.471  -8.872  -1.863
  139    HG3  ARG  18           HG1      ARG  18   8.081  -9.060  -0.220
  140    HD2  ARG  18           HD2      ARG  18   7.871  -6.772  -0.197
  141    HD3  ARG  18           HD1      ARG  18   9.453  -6.835  -1.000
  142    HE   ARG  18           HE       ARG  18   7.262  -7.165  -2.879
  143   HH11  ARG  18          HH11      ARG  18   8.391  -5.732  -4.557
  144   HH12  ARG  18          HH12      ARG  18   8.427  -4.057  -4.116
  145   HH21  ARG  18          HH21      ARG  18   7.623  -4.643  -0.793
  146   HH22  ARG  18          HH22      ARG  18   7.992  -3.441  -1.984
  Start of MODEL   19
    1    H1   ARG   1           HT1      ARG   1  12.412  -5.900 -12.024
    2    H2   ARG   1           HT2      ARG   1  11.404  -6.879 -12.979
    3    H3   ARG   1           HT3      ARG   1  13.013  -7.339 -12.690
    4    HA   ARG   1           HA       ARG   1  11.693  -8.682 -11.268
    5    HB2  ARG   1           HB2      ARG   1  13.462  -6.541 -10.368
    6    HB3  ARG   1           HB1      ARG   1  12.364  -7.055  -9.088
    7    HG2  ARG   1           HG2      ARG   1  14.020  -8.969 -10.756
    8    HG3  ARG   1           HG1      ARG   1  14.514  -8.365  -9.173
    9    HD2  ARG   1           HD2      ARG   1  11.820  -9.684  -9.546
   10    HD3  ARG   1           HD1      ARG   1  13.278 -10.646  -9.227
   11    HE   ARG   1           HE       ARG   1  12.539  -8.363  -7.439
   12   HH11  ARG   1          HH11      ARG   1  14.628 -10.913  -7.720
   13   HH12  ARG   1          HH12      ARG   1  14.260 -11.642  -6.191
   14   HH21  ARG   1          HH21      ARG   1  11.511  -9.615  -5.588
   15   HH22  ARG   1          HH22      ARG   1  12.496 -10.906  -4.985
   16    H    GLY   2           HN       GLY   2  10.613  -7.946  -8.796
   17    HA2  GLY   2           HA2      GLY   2   8.027  -6.781  -9.661
   18    HA3  GLY   2           HA1      GLY   2   8.301  -7.686  -8.172
   19    H    GLY   3           HN       GLY   3  10.700  -6.168  -7.432
   20    HA2  GLY   3           HA2      GLY   3  10.451  -3.397  -7.322
   21    HA3  GLY   3           HA1      GLY   3   9.386  -3.983  -6.047
   22    H    ARG   4           HN       ARG   4  12.300  -2.721  -6.416
   23    HA   ARG   4           HA       ARG   4  13.327  -4.334  -4.165
   24    HB2  ARG   4           HB2      ARG   4  14.928  -3.124  -6.441
   25    HB3  ARG   4           HB1      ARG   4  15.586  -4.062  -5.107
   26    HG2  ARG   4           HG2      ARG   4  15.424  -5.672  -6.793
   27    HG3  ARG   4           HG1      ARG   4  13.931  -5.916  -5.894
   28    HD2  ARG   4           HD2      ARG   4  13.967  -5.656  -8.582
   29    HD3  ARG   4           HD1      ARG   4  12.609  -5.080  -7.609
   30    HE   ARG   4           HE       ARG   4  13.502  -2.819  -7.773
   31   HH11  ARG   4          HH11      ARG   4  16.235  -2.653  -7.923
   32   HH12  ARG   4          HH12      ARG   4  16.659  -2.668  -9.602
   33   HH21  ARG   4          HH21      ARG   4  13.610  -3.958 -10.634
   34   HH22  ARG   4          HH22      ARG   4  15.173  -3.406 -11.137
   35    H    LEU   5           HN       LEU   5  12.915  -2.865  -2.567
   36    HA   LEU   5           HA       LEU   5  13.848  -0.064  -2.982
   37    HB2  LEU   5           HB2      LEU   5  11.690  -1.204  -1.167
   38    HB3  LEU   5           HB1      LEU   5  12.077   0.505  -1.350
   39    HG   LEU   5           HG       LEU   5  10.195   0.156  -2.749
   40   HD11  LEU   5          HD11      LEU   5  12.214  -0.282  -4.881
   41   HD12  LEU   5          HD12      LEU   5  12.499   1.080  -3.797
   42   HD13  LEU   5          HD13      LEU   5  11.001   0.988  -4.722
   43   HD21  LEU   5          HD21      LEU   5  11.008  -2.494  -2.802
   44   HD22  LEU   5          HD22      LEU   5  11.236  -1.973  -4.470
   45   HD23  LEU   5          HD23      LEU   5   9.655  -1.821  -3.708
   46    H    CYS   6           HN       CYS   6  15.769   0.067  -2.015
   47    HA   CYS   6           HA       CYS   6  16.009  -0.650   0.839
   48    HB2  CYS   6           HB2      CYS   6  16.571  -2.715  -0.409
   49    HB3  CYS   6           HB1      CYS   6  17.795  -1.829  -1.314
   50    H    TYR   7           HN       TYR   7  16.915   0.976   1.782
   51    HA   TYR   7           HA       TYR   7  19.334   2.280   0.862
   52    HB2  TYR   7           HB2      TYR   7  17.806   4.502   0.905
   53    HB3  TYR   7           HB1      TYR   7  18.017   3.575  -0.574
   54    HD1  TYR   7           HD1      TYR   7  16.001   3.724   2.496
   55    HD2  TYR   7           HD2      TYR   7  16.306   2.769  -1.639
   56    HE1  TYR   7           HE1      TYR   7  13.600   3.211   2.455
   57    HE2  TYR   7           HE2      TYR   7  13.916   2.249  -1.747
   58    HH   TYR   7           HH       TYR   7  12.091   1.496   0.626
   59    H    CYS   8           HN       CYS   8  19.918   3.849   2.442
   60    HA   CYS   8           HA       CYS   8  18.392   3.792   4.987
   61    HB2  CYS   8           HB2      CYS   8  20.125   1.952   4.647
   62    HB3  CYS   8           HB1      CYS   8  21.329   3.227   4.830
   63    H    ARG   9           HN       ARG   9  18.157   5.778   5.574
   64    HA   ARG   9           HA       ARG   9  20.317   7.812   5.271
   65    HB2  ARG   9           HB2      ARG   9  17.368   7.815   4.678
   66    HB3  ARG   9           HB1      ARG   9  18.189   9.330   5.051
   67    HG2  ARG   9           HG2      ARG   9  18.372   9.196   2.717
   68    HG3  ARG   9           HG1      ARG   9  19.920   8.565   3.276
   69    HD2  ARG   9           HD2      ARG   9  18.135   6.353   3.195
   70    HD3  ARG   9           HD1      ARG   9  17.942   7.233   1.667
   71    HE   ARG   9           HE       ARG   9  20.671   6.573   2.702
   72   HH11  ARG   9          HH11      ARG   9  21.303   4.693   1.309
   73   HH12  ARG   9          HH12      ARG   9  21.001   4.907  -0.383
   74   HH21  ARG   9          HH21      ARG   9  18.958   7.673   0.057
   75   HH22  ARG   9          HH22      ARG   9  19.674   6.593  -1.091
   76    HA   PRO  10           HA       PRO  10  19.867   8.040   9.669
   77    HB2  PRO  10           HB2      PRO  10  20.617  10.682  10.024
   78    HB3  PRO  10           HB1      PRO  10  21.760   9.340   9.804
   79    HG2  PRO  10           HG2      PRO  10  20.665  11.233   7.754
   80    HG3  PRO  10           HG1      PRO  10  22.346  10.726   8.026
   81    HD2  PRO  10           HD2      PRO  10  20.950   9.596   6.081
   82    HD3  PRO  10           HD1      PRO  10  21.970   8.576   7.126
   83    H    ARG  11           HN       ARG  11  18.132   9.941   7.382
   84    HA   ARG  11           HA       ARG  11  16.287  11.169   9.282
   85    HB2  ARG  11           HB2      ARG  11  16.266  10.864   6.287
   86    HB3  ARG  11           HB1      ARG  11  15.214  11.942   7.203
   87    HG2  ARG  11           HG2      ARG  11  18.245  12.079   7.118
   88    HG3  ARG  11           HG1      ARG  11  17.147  13.162   6.262
   89    HD2  ARG  11           HD2      ARG  11  16.310  14.085   8.313
   90    HD3  ARG  11           HD1      ARG  11  17.101  12.823   9.277
   91    HE   ARG  11           HE       ARG  11  19.252  13.822   8.755
   92   HH11  ARG  11          HH11      ARG  11  18.807  14.919   6.066
   93   HH12  ARG  11          HH12      ARG  11  18.656  16.620   6.353
   94   HH21  ARG  11          HH21      ARG  11  18.070  16.266   9.752
   95   HH22  ARG  11          HH22      ARG  11  18.239  17.383   8.438
   96    H    PHE  12           HN       PHE  12  16.540   8.321   7.381
   97    HA   PHE  12           HA       PHE  12  14.378   6.905   8.721
   98    HB2  PHE  12           HB2      PHE  12  12.996   6.778   6.613
   99    HB3  PHE  12           HB1      PHE  12  13.097   8.434   7.241
  100    HD1  PHE  12           HD1      PHE  12  14.427  10.088   6.200
  101    HD2  PHE  12           HD2      PHE  12  14.421   6.076   4.712
  102    HE1  PHE  12           HE1      PHE  12  15.608  10.863   4.175
  103    HE2  PHE  12           HE2      PHE  12  15.589   6.833   2.667
  104    HZ   PHE  12           HZ       PHE  12  16.186   9.231   2.380
  105    H    CYS  13           HN       CYS  13  14.399   4.595   7.760
  106    HA   CYS  13           HA       CYS  13  16.151   4.156   5.513
  107    HB2  CYS  13           HB2      CYS  13  17.940   4.659   6.890
  108    HB3  CYS  13           HB1      CYS  13  17.133   4.073   8.335
  109    H    VAL  14           HN       VAL  14  15.451   2.251   4.634
  110    HA   VAL  14           HA       VAL  14  14.807  -0.098   6.261
  111    HB   VAL  14           HB       VAL  14  12.805   1.821   5.190
  112   HG11  VAL  14          HG11      VAL  14  11.093  -0.028   5.062
  113   HG12  VAL  14          HG12      VAL  14  12.423  -1.184   5.126
  114   HG13  VAL  14          HG13      VAL  14  12.290  -0.067   3.767
  115   HG21  VAL  14          HG21      VAL  14  13.260   0.124   7.593
  116   HG22  VAL  14          HG22      VAL  14  11.587   0.492   7.175
  117   HG23  VAL  14          HG23      VAL  14  12.727   1.801   7.486
  118    H    CYS  15           HN       CYS  15  14.437  -1.967   4.909
  119    HA   CYS  15           HA       CYS  15  14.929  -1.577   1.985
  120    HB2  CYS  15           HB2      CYS  15  16.439  -3.223   4.008
  121    HB3  CYS  15           HB1      CYS  15  16.442  -3.683   2.305
  122    H    VAL  16           HN       VAL  16  13.276  -2.531   0.932
  123    HA   VAL  16           HA       VAL  16  12.361  -5.237   1.667
  124    HB   VAL  16           HB       VAL  16  10.571  -2.782   1.592
  125   HG11  VAL  16          HG11      VAL  16   9.172  -4.448   0.781
  126   HG12  VAL  16          HG12      VAL  16   8.947  -4.664   2.517
  127   HG13  VAL  16          HG13      VAL  16  10.035  -5.730   1.630
  128   HG21  VAL  16          HG21      VAL  16  10.114  -3.567   3.995
  129   HG22  VAL  16          HG22      VAL  16  11.684  -2.820   3.700
  130   HG23  VAL  16          HG23      VAL  16  11.551  -4.574   3.823
  131    H    GLY  17           HN       GLY  17  12.203  -6.329  -0.170
  132    HA2  GLY  17           HA2      GLY  17  10.941  -5.210  -2.514
  133    HA3  GLY  17           HA1      GLY  17  12.689  -5.381  -2.706
  134    H    ARG  18           HN       ARG  18   9.728  -6.986  -2.855
  135    HA   ARG  18           HA       ARG  18  11.069  -9.405  -3.640
  136    HB2  ARG  18           HB2      ARG  18  10.631 -10.730  -1.728
  137    HB3  ARG  18           HB1      ARG  18  11.182  -9.185  -1.076
  138    HG2  ARG  18           HG2      ARG  18   8.283 -10.016  -1.400
  139    HG3  ARG  18           HG1      ARG  18   9.185 -10.041   0.113
  140    HD2  ARG  18           HD2      ARG  18   8.297  -7.938   0.349
  141    HD3  ARG  18           HD1      ARG  18   9.647  -7.476  -0.707
  142    HE   ARG  18           HE       ARG  18   8.125  -7.450  -2.579
  143   HH11  ARG  18          HH11      ARG  18   6.312  -5.824  -1.220
  144   HH12  ARG  18          HH12      ARG  18   4.858  -6.752  -1.066
  145   HH21  ARG  18          HH21      ARG  18   6.406  -9.787  -1.698
  146   HH22  ARG  18          HH22      ARG  18   4.912  -8.993  -1.335
  Start of MODEL   20
    1    H1   ARG   1           HT1      ARG   1  12.964  -5.791 -10.741
    2    H2   ARG   1           HT2      ARG   1  12.345  -6.023 -12.306
    3    H3   ARG   1           HT3      ARG   1  13.671  -6.939 -11.769
    4    HA   ARG   1           HA       ARG   1  11.617  -8.254 -11.733
    5    HB2  ARG   1           HB2      ARG   1  13.668  -8.019  -9.935
    6    HB3  ARG   1           HB1      ARG   1  12.269  -7.824  -8.878
    7    HG2  ARG   1           HG2      ARG   1  11.406  -9.943  -9.415
    8    HG3  ARG   1           HG1      ARG   1  12.354 -10.056 -10.897
    9    HD2  ARG   1           HD2      ARG   1  14.198  -9.745  -8.733
   10    HD3  ARG   1           HD1      ARG   1  13.053 -11.027  -8.295
   11    HE   ARG   1           HE       ARG   1  14.144 -11.098 -11.049
   12   HH11  ARG   1          HH11      ARG   1  16.347 -12.240 -10.628
   13   HH12  ARG   1          HH12      ARG   1  16.161 -13.741  -9.782
   14   HH21  ARG   1          HH21      ARG   1  12.927 -13.057  -8.738
   15   HH22  ARG   1          HH22      ARG   1  14.225 -14.203  -8.712
   16    H    GLY   2           HN       GLY   2  10.230  -8.369  -9.165
   17    HA2  GLY   2           HA2      GLY   2   7.927  -6.795  -9.761
   18    HA3  GLY   2           HA1      GLY   2   8.222  -7.608  -8.223
   19    H    GLY   3           HN       GLY   3  10.403  -6.346  -7.203
   20    HA2  GLY   3           HA2      GLY   3  10.497  -3.510  -7.463
   21    HA3  GLY   3           HA1      GLY   3   9.368  -3.911  -6.171
   22    H    ARG   4           HN       ARG   4  12.329  -2.871  -6.517
   23    HA   ARG   4           HA       ARG   4  13.249  -4.464  -4.201
   24    HB2  ARG   4           HB2      ARG   4  14.961  -3.319  -6.433
   25    HB3  ARG   4           HB1      ARG   4  15.523  -4.317  -5.099
   26    HG2  ARG   4           HG2      ARG   4  15.332  -5.869  -6.847
   27    HG3  ARG   4           HG1      ARG   4  13.821  -6.076  -5.969
   28    HD2  ARG   4           HD2      ARG   4  13.887  -5.757  -8.645
   29    HD3  ARG   4           HD1      ARG   4  12.550  -5.135  -7.670
   30    HE   ARG   4           HE       ARG   4  13.581  -2.917  -7.759
   31   HH11  ARG   4          HH11      ARG   4  13.462  -2.628 -10.419
   32   HH12  ARG   4          HH12      ARG   4  15.068  -2.737 -11.059
   33   HH21  ARG   4          HH21      ARG   4  16.380  -4.248  -8.228
   34   HH22  ARG   4          HH22      ARG   4  16.720  -3.654  -9.819
   35    H    LEU   5           HN       LEU   5  12.872  -2.964  -2.627
   36    HA   LEU   5           HA       LEU   5  13.816  -0.176  -3.086
   37    HB2  LEU   5           HB2      LEU   5  11.700  -1.310  -1.218
   38    HB3  LEU   5           HB1      LEU   5  12.085   0.398  -1.406
   39    HG   LEU   5           HG       LEU   5  10.176   0.050  -2.777
   40   HD11  LEU   5          HD11      LEU   5  12.235  -0.371  -4.896
   41   HD12  LEU   5          HD12      LEU   5  12.414   1.034  -3.845
   42   HD13  LEU   5          HD13      LEU   5  10.948   0.831  -4.805
   43   HD21  LEU   5          HD21      LEU   5  11.248  -2.089  -4.492
   44   HD22  LEU   5          HD22      LEU   5   9.641  -1.911  -3.790
   45   HD23  LEU   5          HD23      LEU   5  10.952  -2.594  -2.828
   46    H    CYS   6           HN       CYS   6  15.742   0.008  -2.162
   47    HA   CYS   6           HA       CYS   6  16.097  -0.809   0.675
   48    HB2  CYS   6           HB2      CYS   6  16.845  -2.565  -1.165
   49    HB3  CYS   6           HB1      CYS   6  18.246  -1.501  -1.305
   50    H    TYR   7           HN       TYR   7  16.857   0.877   1.697
   51    HA   TYR   7           HA       TYR   7  19.111   2.443   0.752
   52    HB2  TYR   7           HB2      TYR   7  17.362   4.499   0.987
   53    HB3  TYR   7           HB1      TYR   7  17.648   3.699  -0.551
   54    HD1  TYR   7           HD1      TYR   7  16.007   2.803  -1.657
   55    HD2  TYR   7           HD2      TYR   7  15.687   3.406   2.543
   56    HE1  TYR   7           HE1      TYR   7  13.683   2.034  -1.773
   57    HE2  TYR   7           HE2      TYR   7  13.352   2.650   2.491
   58    HH   TYR   7           HH       TYR   7  11.931   1.091   0.897
   59    H    CYS   8           HN       CYS   8  19.644   3.970   2.351
   60    HA   CYS   8           HA       CYS   8  18.249   3.823   4.953
   61    HB2  CYS   8           HB2      CYS   8  19.895   1.932   4.546
   62    HB3  CYS   8           HB1      CYS   8  21.158   3.155   4.666
   63    H    ARG   9           HN       ARG   9  18.092   5.808   5.585
   64    HA   ARG   9           HA       ARG   9  20.313   7.775   5.264
   65    HB2  ARG   9           HB2      ARG   9  17.354   7.883   4.739
   66    HB3  ARG   9           HB1      ARG   9  18.228   9.364   5.128
   67    HG2  ARG   9           HG2      ARG   9  18.363   9.281   2.790
   68    HG3  ARG   9           HG1      ARG   9  19.899   8.584   3.301
   69    HD2  ARG   9           HD2      ARG   9  18.033   6.440   3.208
   70    HD3  ARG   9           HD1      ARG   9  17.845   7.361   1.703
   71    HE   ARG   9           HE       ARG   9  20.571   6.598   2.667
   72   HH11  ARG   9          HH11      ARG   9  21.100   4.692   1.259
   73   HH12  ARG   9          HH12      ARG   9  20.762   4.917  -0.423
   74   HH21  ARG   9          HH21      ARG   9  18.832   7.755   0.067
   75   HH22  ARG   9          HH22      ARG   9  19.479   6.649  -1.099
   76    HA   PRO  10           HA       PRO  10  19.988   7.944   9.677
   77    HB2  PRO  10           HB2      PRO  10  20.817  10.561  10.054
   78    HB3  PRO  10           HB1      PRO  10  21.918   9.192   9.783
   79    HG2  PRO  10           HG2      PRO  10  20.819  11.145   7.791
   80    HG3  PRO  10           HG1      PRO  10  22.492  10.593   8.012
   81    HD2  PRO  10           HD2      PRO  10  21.024   9.527   6.087
   82    HD3  PRO  10           HD1      PRO  10  22.037   8.464   7.096
   83    H    ARG  11           HN       ARG  11  18.256   9.955   7.475
   84    HA   ARG  11           HA       ARG  11  16.492  11.205   9.439
   85    HB2  ARG  11           HB2      ARG  11  16.550  10.936   6.444
   86    HB3  ARG  11           HB1      ARG  11  15.318  11.862   7.303
   87    HG2  ARG  11           HG2      ARG  11  17.014  13.321   8.259
   88    HG3  ARG  11           HG1      ARG  11  18.301  12.341   7.552
   89    HD2  ARG  11           HD2      ARG  11  18.068  14.148   6.029
   90    HD3  ARG  11           HD1      ARG  11  17.116  12.850   5.278
   91    HE   ARG  11           HE       ARG  11  15.217  13.980   6.813
   92   HH11  ARG  11          HH11      ARG  11  15.740  16.503   7.407
   93   HH12  ARG  11          HH12      ARG  11  15.687  17.457   5.961
   94   HH21  ARG  11          HH21      ARG  11  15.982  14.730   3.838
   95   HH22  ARG  11          HH22      ARG  11  15.822  16.452   3.941
   96    H    PHE  12           HN       PHE  12  16.601   8.381   7.479
   97    HA   PHE  12           HA       PHE  12  14.450   6.989   8.869
   98    HB2  PHE  12           HB2      PHE  12  13.010   6.939   6.789
   99    HB3  PHE  12           HB1      PHE  12  13.162   8.575   7.456
  100    HD1  PHE  12           HD1      PHE  12  14.527  10.225   6.430
  101    HD2  PHE  12           HD2      PHE  12  14.350   6.259   4.825
  102    HE1  PHE  12           HE1      PHE  12  15.682  11.020   4.398
  103    HE2  PHE  12           HE2      PHE  12  15.491   7.040   2.772
  104    HZ   PHE  12           HZ       PHE  12  16.162   9.426   2.543
  105    H    CYS  13           HN       CYS  13  14.403   4.694   7.871
  106    HA   CYS  13           HA       CYS  13  16.062   4.271   5.559
  107    HB2  CYS  13           HB2      CYS  13  17.926   4.699   6.846
  108    HB3  CYS  13           HB1      CYS  13  17.157   4.168   8.332
  109    H    VAL  14           HN       VAL  14  15.413   2.342   4.692
  110    HA   VAL  14           HA       VAL  14  14.739   0.012   6.321
  111    HB   VAL  14           HB       VAL  14  12.760   1.961   5.298
  112   HG11  VAL  14          HG11      VAL  14  11.027   0.142   5.060
  113   HG12  VAL  14          HG12      VAL  14  12.343  -1.031   5.074
  114   HG13  VAL  14          HG13      VAL  14  12.234   0.157   3.775
  115   HG21  VAL  14          HG21      VAL  14  13.190   0.158   7.620
  116   HG22  VAL  14          HG22      VAL  14  11.515   0.520   7.202
  117   HG23  VAL  14          HG23      VAL  14  12.632   1.831   7.582
  118    H    CYS  15           HN       CYS  15  14.333  -1.852   4.987
  119    HA   CYS  15           HA       CYS  15  14.899  -1.500   2.069
  120    HB2  CYS  15           HB2      CYS  15  16.926  -2.129   3.386
  121    HB3  CYS  15           HB1      CYS  15  16.086  -3.586   3.917
  122    H    VAL  16           HN       VAL  16  13.516  -2.618   0.831
  123    HA   VAL  16           HA       VAL  16  12.259  -5.132   1.676
  124    HB   VAL  16           HB       VAL  16  10.727  -2.548   1.215
  125   HG11  VAL  16          HG11      VAL  16   9.526  -4.349   0.129
  126   HG12  VAL  16          HG12      VAL  16   8.707  -3.989   1.649
  127   HG13  VAL  16          HG13      VAL  16   9.754  -5.403   1.525
  128   HG21  VAL  16          HG21      VAL  16  11.437  -2.605   3.479
  129   HG22  VAL  16          HG22      VAL  16  11.167  -4.344   3.604
  130   HG23  VAL  16          HG23      VAL  16   9.793  -3.242   3.519
  131    H    GLY  17           HN       GLY  17  12.130  -6.380  -0.078
  132    HA2  GLY  17           HA2      GLY  17  11.351  -5.333  -2.652
  133    HA3  GLY  17           HA1      GLY  17  13.068  -5.742  -2.588
  134    H    ARG  18           HN       ARG  18   9.933  -6.968  -2.978
  135    HA   ARG  18           HA       ARG  18  11.021  -9.581  -3.431
  136    HB2  ARG  18           HB2      ARG  18  10.175 -10.696  -1.506
  137    HB3  ARG  18           HB1      ARG  18  10.902  -9.202  -0.903
  138    HG2  ARG  18           HG2      ARG  18   8.062  -8.930  -1.647
  139    HG3  ARG  18           HG1      ARG  18   8.354 -10.047  -0.317
  140    HD2  ARG  18           HD2      ARG  18   8.126  -7.918   0.728
  141    HD3  ARG  18           HD1      ARG  18   9.882  -8.174   0.639
  142    HE   ARG  18           HE       ARG  18   9.982  -6.425  -0.930
  143   HH11  ARG  18          HH11      ARG  18   9.159  -5.091  -2.551
  144   HH12  ARG  18          HH12      ARG  18   7.459  -5.095  -2.880
  145   HH21  ARG  18          HH21      ARG  18   6.734  -7.587  -0.588
  146   HH22  ARG  18          HH22      ARG  18   6.095  -6.501  -1.773